1LFD bound D:\Program Files\PSAIA\amac_data\chothia.radii 0.25 1.4 D:\Program Files\PSAIA\amac_data\natural_asa.asa 10 20.1 22399.2 4841.81 17557.4 11519.3 10879.9 A 4307.42 860.698 3446.72 2236.98 2070.45 GLY 14 49.9584 49.9584 0 17.5013 32.4571 62.0293 62.0293 0 41.054 85.5936 0.308565 0.53445 0 0 1.23426 0 0.470195 0.13717 0 0 0.653949 0.286404 ASP 15 58.3471 0.3654 57.9817 12.7018 45.6453 40.5019 1.01079 53.7315 25.624 48.307 0.336307 0.585329 0 0 1.46016 0 0.597219 0.207317 0.781955 0.121801 0.94764 0.362075 CYS 16 0.4378 0.4378 0 0 0.4378 0.333029 1.21207 0 0 1.59781 1.37917 1.15769 2.7941 0.320071 3.11417 0 0.205584 0.0731266 0.114457 0.00595966 0.318972 0.108497 CYS 17 5.1575 0 5.1575 5.1575 0 3.92325 0 5.40959 4.9558 0 1.59739 1.24172 0 0 3.29971 0 0.169999 0.041559 0.206585 0.0488214 0.255407 0.132595 ILE 18 16.4577 5.3306 11.1271 11.1271 5.3306 9.49118 17.1512 7.81782 7.55096 20.4708 0.845089 0.907087 0.379843 0.657908 2.4675 0 0.208155 0.0329025 0.186687 0.032746 0.247889 0.132595 ILE 19 0 0 0 0 0 0 0 0 0 0 3.72413 0.937558 4.46413 0.619829 5.27654 2.24498 0.0834659 0.0530801 0.0434323 0.0259154 0.164232 0 ARG 20 102.902 0.8911 102.011 14.2829 88.6187 44.1619 2.41753 52.0064 16.5503 60.404 0.360662 0.789344 0 0 2.4391 0 0.410878 0.321764 0.588897 0.273664 1.02328 0.0419876 VAL 21 0.2795 0 0.2795 0.2795 0 0.187157 0 0.236844 0.226444 0 1.62923 0.87828 1.01287 0.71622 3.00042 0 0.0310418 0.0317108 0 0 0.074214 0 SER 22 23.4165 0 23.4165 17.238 6.1785 20.3092 0 31.4569 32.5675 9.9062 1.26063 0.972104 0 0 2.45931 0 0.202797 0.0953238 0.327588 0.016912 0.3445 0.074214 LEU 23 26.7427 14.8478 11.8949 11.8949 14.8478 15.035 45.4339 8.19264 7.92465 53.4863 0.335943 0.584413 0 0 1.45271 0 0.350957 0.13751 0.251378 0.0442563 0.628106 0.177387 ASP 24 80.2686 34.2408 46.0278 22.3563 57.9123 55.7189 94.7187 42.6539 45.1005 61.2893 0.182645 0.483233 0 0 1.46116 0 1.06676 0.3373 0.984868 0.194775 1.81618 0.66718 VAL 25 83.8646 29.9792 53.8854 63.311 20.5536 56.1568 95.6885 45.6617 51.293 79.3269 0.189826 0.464976 0 0 1.32878 0 1.34479 0.298388 1.1646 0.138348 1.85476 1.00382 ASP 26 144.542 31.2296 113.312 44.2782 100.263 100.334 86.3889 105.006 89.3246 106.11 0 0 0 0 0 0 2.41878 0.497364 2.79704 0.389608 3.25301 1.63794 ASN 27 62.0419 16.1171 45.9248 39.0101 23.0318 41.1282 44.2049 40.1476 91.209 21.31 0.153844 0.407032 0.307687 0.53293 1.23075 0 0.704689 0.201678 0.606753 0.13063 1.06334 0.488554 GLY 28 21.6196 21.6196 0 14.9576 6.662 26.8433 26.8433 0 35.087 17.5686 0.306862 0.531501 0 0 1.22745 0 0.436494 0.168898 0 0 0.694289 0.263015 ASN 29 18.628 17.2904 1.3376 1.0291 17.5989 12.3487 47.4229 1.16933 2.40613 16.2832 0.945518 0.792252 0.868846 0.940004 2.24507 0 0.239921 0.111584 0.156444 0.0458328 0.467588 0.0797799 MET 30 88.1179 10.1426 77.9753 79.2618 8.8561 47.1723 29.7786 51.051 49.8032 32.0293 0.182687 0.483346 0 0 1.4615 0 0.465988 0.294314 0.674193 0.293159 1.14843 0.218699 TYR 31 32.806 0 32.806 26.9648 5.8412 15.3867 0 18.2641 18.7295 8.43495 1.3589 1.11596 0.944048 1.00857 3.3806 0 0.275391 0.120192 0.335017 0.100456 0.447205 0.102632 LYS 32 12.7268 0 12.7268 3.5331 9.1937 6.48863 0 7.92503 2.85965 12.6652 2.03506 1.59218 0.803973 1.03263 3.88513 0 0.044188 0.0406244 0.0553311 0.0488906 0.145041 0 SER 33 0.886 0.0762 0.8098 0 0.886 0.76843 0.18649 1.08786 0 1.42055 1.31536 1.07999 0.707454 0.707454 2.84468 0 0.0708946 0.037279 0.112094 0.0266903 0.138784 0.0215565 ILE 34 0.5047 0 0.5047 0.5047 0 0.291061 0 0.354598 0.342495 0 2.4942 1.23988 1.78603 1.17568 4.20563 0 0.0259114 0.0318692 0 0 0.0968291 0 LEU 35 0.058 0 0.058 0.058 0 0.0326081 0 0.0399477 0.0386409 0 2.7736 1.41624 1.61813 1.01422 4.5795 0 0.0691747 0.0350287 0.086263 0.0303797 0.114425 0.0165733 VAL 36 0 0 0 0 0 0 0 0 0 0 4.44086 0.50463 4.60821 0.321262 4.97921 3.70748 0.00742394 0.0106446 0.00782255 0.00974265 0.0265888 0 THR 37 5.3646 0 5.3646 5.3646 0 3.92752 0 5.23631 6.67322 0 1.58958 1.14096 0.478332 0.676463 3.12083 0 0.12133 0.0617098 0.137964 0.0380894 0.190843 0.0116385 SER 38 27.733 8.1788 19.5542 4.6739 23.0591 24.0529 20.0166 26.2684 8.83034 36.9715 0.663295 0.974827 0 0 2.44934 0 0.624019 0.156994 0.766081 0 0.766081 0.318972 GLN 39 78.1266 14.6632 63.4634 35.7278 42.3988 43.8938 41.6095 44.4546 56.9095 36.8013 0.147951 0.418467 0 0 1.33155 0 0.482759 0.15099 0.569184 0.150658 0.828048 0.302485 ASP 40 0.0168 0 0.0168 0 0.0168 0.0116618 0 0.0155685 0 0.0177797 2.07393 1.11797 1.45306 0.942799 3.76558 0 0.155718 0.0979559 0.0627173 0.0292632 0.294395 0.0165733 LYS 41 100.371 0 100.371 70.8113 29.5595 51.173 0 62.5013 57.3139 40.7212 1.52363 1.46358 0.304231 0.608461 3.71166 0 0.672522 0.35005 0.945041 0.225869 1.21699 0.240461 ALA 42 0.3864 0 0.3864 0.3864 0 0.360313 0 0.604506 0.50802 0 1.8368 1.00752 0 0 2.75568 0 0.293519 0.0943796 0.380116 0 0.398641 0.145041 PRO 43 54.4887 5.1595 49.3292 52.5221 1.9666 40.7301 15.6824 48.8989 46.5539 9.38263 0.426413 0.674293 0.50373 0.712381 1.51119 0 0.492297 0.198036 0.708465 0.0923974 0.828048 0.286404 THR 44 24.2824 8.2469 16.0355 9.2115 15.0709 17.7776 24.1561 15.652 11.4585 26.8165 0.380253 0.60367 0.477426 0.675182 1.43228 0 0.219332 0.0686215 0.194506 0.040368 0.362075 0.138784 VAL 45 0 0 0 0 0 0 0 0 0 0 3.65813 1.02583 4.75822 0.381009 5.20984 2.24601 0.0268807 0.0301614 0.00451654 0.00509604 0.0854038 0 ILE 46 10.595 0 10.595 10.595 0 6.11015 0 7.44397 7.18988 0 2.64643 1.20925 1.78118 1.16948 3.89948 0 0.0893803 0.0351576 0.0857739 0.0439684 0.132595 0.0368036 ARG 47 61.7532 0 61.7532 37.9291 23.8241 26.5024 0 31.4826 43.9503 16.2389 0.689593 0.956038 0 0 2.46398 0 0.328731 0.112127 0.40809 0.0441987 0.499263 0.151368 LYS 48 5.5093 2.2439 3.2654 3.6151 1.8942 2.80886 6.31195 2.03338 2.92602 2.60945 1.00249 1.30272 1.55884 1.46014 3.77154 0 0.0825989 0.0319568 0.0605422 0.0238373 0.132595 0.0265888 ALA 49 0.1503 0.1503 0 0.1503 0 0.140153 0.346953 0 0.197607 0 1.38472 0.776856 1.5213 0 2.41158 0 0.0227807 0.0328926 0 0 0.0854038 0 MET 50 0 0 0 0 0 0 0 0 0 0 3.40936 0.554832 3.77654 0.316206 4.2845 2.42738 0.159629 0.087308 0.152851 0.0596538 0.294395 0.0116385 ASP 51 20.7203 0.4099 20.3104 11.2966 9.4237 14.3831 1.13389 18.8216 22.7892 9.97322 0.652733 0.901852 0 0 2.46269 0 0.360789 0.0765877 0.34139 0.0400014 0.510127 0.240461 LYS 52 15.3444 3.9399 11.4045 11.0856 4.2588 7.82319 11.0827 7.10163 8.97256 5.86692 0.137009 0.387519 0 0 1.23308 0 0.146497 0.0802226 0.0823839 0.0399322 0.255407 0.0265888 HIS 53 14.3575 11.8985 2.459 3.1303 11.2272 7.93539 34.1518 1.68321 2.94561 15.0378 0.545637 0.669245 0.66602 0.666115 1.46025 0 0.170538 0.134517 0.072984 0.0521916 0.408091 0.0215565 ASN 54 72.789 19.9827 52.8063 26.2317 46.5573 48.2526 54.8072 46.1634 61.332 43.0767 0.357132 0.620431 0 0 1.52454 0 0.629276 0.10985 0.623251 0.0859157 0.812152 0.447205 LEU 55 32.4066 2.7784 29.6282 32.4066 0 18.2193 8.50184 20.4065 21.59 0 0.996284 0.818257 0.762446 0.762471 2.25977 0 0.465327 0.166338 0.32641 0.121789 0.66718 0.145041 ASP 56 67.4125 20.3352 47.0773 30.8772 36.5353 46.7947 56.2523 43.6264 62.2901 38.6658 0 0 0 0 0 0 0.855436 0.148721 0.772823 0.0740104 1.12651 0.694289 GLU 57 162.674 32.9327 129.741 70.5375 92.1367 94.8372 92.1194 95.5598 99.7419 91.3964 0.137124 0.387845 0 0 1.23412 0 2.63766 1.2342 3.49059 1.03739 5.31508 1.29008 ASP 58 41.7145 9.142 32.5725 17.8777 23.8368 28.9563 25.2891 30.1849 36.0656 25.2268 0.336534 0.585708 0 0 1.46081 0 0.872907 0.180583 0.866848 0.232484 1.24083 0.640925 GLU 59 115.2 4.352 110.848 37.4053 77.7947 67.1603 12.1734 81.644 52.8921 77.1696 0.136878 0.38715 0 0 1.2319 0 1.53632 0.82863 2.1728 0.56023 2.78905 0.590821 PRO 60 30.4435 5.4637 24.9798 25.934 4.5095 22.7564 16.607 24.7619 22.9871 21.5148 0.428659 0.677931 0 0 1.5281 0 0.431948 0.0936394 0.483233 0.0891618 0.603058 0.302485 GLU 61 137.674 24.0173 113.657 53.3748 84.2995 80.2625 67.1813 83.7129 75.4734 83.6222 0.147894 0.418307 0 0 1.33104 0 1.23894 0.421108 1.60781 0.0847531 1.70646 0.640925 ASP 62 70.5527 4.3913 66.1614 32.8192 37.7335 48.9745 12.1474 61.3116 66.2078 39.9339 0.657616 0.895624 0 0 2.40222 0 1.06442 0.246922 1.27455 0.148948 1.51081 0.736646 TYR 63 18.2008 7.8641 10.3367 1.9517 16.2491 8.53656 23.412 5.75476 1.35563 23.4644 1.32797 1.0989 1.23312 1.13264 3.28672 0 0.282915 0.0817857 0.248159 0.062409 0.467588 0.157764 GLU 64 33.4385 2.7274 30.7111 11.3724 22.0661 19.4943 7.62909 22.6199 16.0809 21.8888 0.7258 0.846186 0.301015 0.60203 2.24629 0 0.42092 0.255853 0.61565 0.17112 0.894523 0.102632 LEU 65 1.348 1.0442 0.3038 0.3038 1.0442 0.757857 3.19523 0.209243 0.202398 3.76153 1.67447 1.07805 1.62836 1.01911 2.96497 0 0.0564442 0.0630005 0 0 0.151368 0 LEU 66 7.8895 0 7.8895 7.8895 0 4.43554 0 5.43391 5.25616 0 1.94209 1.68179 0.384711 0.666339 4.19329 0 0.310379 0.129836 0.426796 0.051598 0.499263 0.151368 GLN 67 0 0 0 0 0 0 0 0 0 0 3.94871 0.347448 3.80851 0.236714 4.65119 3.34769 0.168055 0.0540439 0.157401 0.0327634 0.294395 0.108497 ILE 68 53.0099 1.794 51.2159 51.2159 1.794 30.5709 5.7722 35.9839 34.7556 6.8894 0.657591 0.909127 0 0 2.48295 0 0.41203 0.115579 0.461365 0.0988747 0.603058 0.184077 ILE 69 40.3482 12.1591 28.1891 28.4117 11.9365 23.2689 39.1219 19.8055 19.2805 45.8391 0.664381 0.882467 0.383268 0.663839 2.251 0 0.676534 0.174504 0.627538 0.141802 0.94764 0.488554 SER 70 49.6396 11.7622 37.8774 42.3633 7.2763 43.0526 28.7866 50.8831 80.0365 11.6663 0.221972 0.496345 0 0 1.33183 0 1.43957 0.341992 1.82444 0.152672 1.97711 0.911904 GLU 71 165.716 44.9324 120.784 59.4131 106.303 96.6105 125.685 88.9619 84.0117 105.449 0 0 0 0 0 0 3.95571 1.65751 5.14105 1.32054 6.44277 2.11041 ASP 72 130.534 40.6029 89.9316 44.2086 86.3259 90.6112 112.318 83.3394 89.1842 91.3598 0.166402 0.440258 0 0 1.33121 0 3.20689 0.825307 3.95425 0.492839 4.48415 2.41635 HIS 73 100.57 1.001 99.5691 64.1941 36.376 55.5851 2.87313 68.156 60.4066 48.7222 0.491825 0.788121 0 0 2.25434 0 1.48589 0.287025 1.55887 0.0676626 1.97711 0.860692 LYS 74 84.7996 18.7772 66.0224 65.5136 19.286 43.2342 52.8191 41.1124 53.026 26.5684 0.299105 0.562264 0 0 1.46249 0 0.726592 0.206418 0.630571 0.184355 1.08398 0.327373 LEU 75 56.6841 1.0993 55.5848 56.6841 0 31.8683 3.36383 38.2842 37.7642 0 0.629891 0.850632 0 0 2.25124 0 0.538592 0.186413 0.61874 0.226877 1.00382 0.3445 LYS 76 129.097 8.516 120.581 98.0824 31.0149 65.819 23.955 75.0864 79.3868 42.7261 0.161568 0.456985 0 0 1.45412 0 1.09678 0.391223 1.41487 0.214375 1.67176 0.615485 ILE 77 10.6587 10.4439 0.2148 0.4707 10.188 6.14689 33.6033 0.150917 0.319422 39.1244 1.23467 1.08687 1.75399 1.143 2.98716 0 0.312184 0.128548 0.186907 0.0363624 0.457325 0.126473 PRO 78 78.1905 11.2945 66.896 78.1426 0.0479 58.4471 34.3298 66.3125 69.2631 0.228531 0.511606 0.845732 0 0 2.25234 0 0.828643 0.242035 1.03842 0.206292 1.26519 0.543685 GLU 79 113.952 10.7774 103.175 57.9577 55.9944 66.4328 30.1466 75.9923 81.9538 55.5445 0.136688 0.386612 0 0 1.23019 0 1.34311 0.695875 1.82842 0.580466 2.6561 0.628106 ASN 80 98.2188 16.8944 81.3244 35.9911 62.2277 65.1102 46.3368 71.094 84.1503 57.5756 0.182903 0.483915 0 0 1.46322 0 1.6971 0.516693 2.16308 0.307463 2.59306 1.14843 ALA 81 22.8556 10.4402 12.4154 22.1117 0.7439 21.3126 24.1002 19.4233 29.0714 2.38659 0.715815 0.923761 0 0 2.24983 0 0.730005 0.176763 0.828048 0 0.929607 0.457325 ASN 82 40.8756 7.5821 33.2935 21.8981 18.9775 27.0969 20.7957 29.1053 51.1997 17.5588 0.50191 0.650382 0.331784 0.574667 1.45574 0 0.568479 0.127506 0.673812 0.0741387 0.766081 0.371036 VAL 83 0 0 0 0 0 0 0 0 0 0 3.48463 0.871175 4.43989 0.157647 4.65405 2.2509 0.104648 0.0732074 0.0299471 0.0259318 0.225868 0 PHE 84 43.6012 8.2273 35.3739 35.3739 8.2273 21.6997 24.4351 21.149 20.3112 30.7333 1.11127 1.15672 0.758107 0.942165 3.28252 0 0.412907 0.1245 0.455861 0.121 0.615485 0.218699 TYR 85 153.621 31.242 122.379 98.3644 55.2568 72.0516 93.0098 68.1323 68.3228 79.7932 0.121918 0.404358 0 0 1.46302 0 1.31111 0.387719 1.50723 0.275943 1.93518 0.532335 ALA 86 38.3716 25.7082 12.6634 21.6872 16.6844 35.7811 59.3449 19.8113 28.5133 53.5271 0.247452 0.494904 0 0 1.23726 0 0.672389 0.0655282 0.603058 0 0.75124 0.603058 MET 87 11.091 9.4505 1.6405 1.6642 9.4268 5.93737 27.7466 1.07405 1.04568 34.0933 0.663486 0.882052 0.380822 0.659602 2.2555 0 0.273672 0.17631 0.132445 0.0393585 0.640925 0.074214 ASN 88 57.1613 7.7196 49.4417 17.7802 39.3811 37.8928 21.1728 43.222 41.5717 36.437 0.614226 0.836929 0 0 2.25615 0 0.845055 0.260418 1.04675 0.213141 1.29008 0.488554 SER 89 76.7741 14.1935 62.5806 29.826 46.9481 66.5864 34.7369 84.0685 56.3499 75.2735 0.24326 0.543947 0 0 1.45956 0 1.19399 0.228144 1.26413 0.159101 1.54143 0.929607 ALA 90 102.636 45.138 57.4983 72.1842 30.4521 95.7071 104.197 89.9535 94.9043 97.6968 0 0 0 0 0 0 2.28684 0.365126 2.85921 0 2.85921 1.74207 ALA 91 23.272 16.5762 6.6958 17.8607 5.4113 21.7009 38.2645 10.4753 23.4824 17.3606 0.266161 0.532321 0 0 1.3308 0 1.03493 0.178941 0.781175 0 1.31553 0.781175 ASN 92 91.1879 4.294 86.8939 8.6324 82.5555 60.4494 11.7773 75.9628 20.1833 76.3837 0.448139 0.809892 0 0 2.25489 0 0.939283 0.382112 1.25647 0.264819 1.54143 0.437224 TYR 93 42.8252 5.8093 37.0159 25.4781 17.3471 20.0859 17.2947 20.6079 17.6968 25.05 0.224095 0.503233 0 0 1.45816 0 0.387148 0.140153 0.431682 0.124399 0.680625 0.170773 ASP 94 48.2746 0.0162 48.2584 13.4215 34.8531 33.5101 0.0448133 44.721 27.0759 36.8855 0.613404 0.835614 0 0 2.25172 0 0.38075 0.197527 0.551362 0.131571 0.766081 0.151368 PHE 95 1.1381 1.1381 0 0 1.1381 0.566416 3.38016 0 0 4.2514 2.48589 1.51048 3.52209 0.608803 4.29951 0 0.0576575 0.0632734 0.0140225 0.0115172 0.177387 0 ILE 96 31.8447 0 31.8447 31.8447 0 18.3649 0 22.3738 21.6101 0 2.51157 1.22019 1.79066 1.17919 3.95896 0 0.31588 0.178792 0.46776 0.126971 0.66718 0.126473 LEU 97 0 0 0 0 0 0 0 0 0 0 4.10654 0.53405 4.20355 0.300843 4.73301 2.9499 0.107219 0.11262 0.00583115 0.00678684 0.278512 0 LYS 98 72.9062 0 72.9062 24.7598 48.1464 37.1705 0 45.399 20.0403 66.3265 1.52045 1.24063 0.804305 1.03272 3.65913 0 0.676608 0.40285 0.917294 0.396006 1.63794 0.247889 LYS 99 101.861 5.4883 96.3727 57.736 44.125 51.9328 15.4383 60.0116 46.7309 60.7866 0.299012 0.561883 0 0 1.45749 0 1.07509 0.354792 1.21549 0.375785 1.93518 0.640925 ARG 100 194.998 55.1721 139.826 62.7748 132.223 83.6867 149.68 71.2853 72.7402 90.1258 0.132654 0.419487 0 0 1.45919 0 1.67316 0.486941 1.73742 0.526427 2.78905 1.08398 B 6939.53 1582.37 5357.16 3507.55 3431.98 MET 201 138.837 76.442 62.3951 68.8139 70.0232 74.3239 224.433 40.8505 43.2384 253.248 0.189594 0.501619 0.379188 0.656774 1.51675 0 1.61033 0.392654 1.37107 0.23803 2.47329 1.08398 THR 202 67.8165 10.4948 57.3217 30.0682 37.7483 49.6497 30.7405 55.9509 37.4029 67.1678 0.512277 0.846788 0 0 2.25496 0 0.985812 0.315902 1.1037 0.209631 1.39537 0.467588 GLU 203 65.0892 12.1238 52.9654 25.3719 39.7173 37.9462 33.9127 39.0111 35.8766 39.3982 0.161938 0.458029 0 0 1.45744 0 0.798873 0.186742 0.934811 0.126353 1.06334 0.52115 TYR 204 10.3088 0 10.3088 1.6888 8.62 4.83505 0 5.73923 1.17302 12.4477 1.89904 1.04662 1.72649 1.18502 3.46827 0 0.195508 0.0875655 0.161963 0.0848151 0.3445 0.074214 LYS 205 74.2153 0.2215 73.9938 46.728 27.4873 37.8379 0.623066 46.0762 37.8211 37.8665 0.298684 0.561161 0 0 1.45345 0 0.493206 0.36252 0.749185 0.297247 1.21699 0.138784 LEU 206 1.258 1.0595 0.1985 0.1985 1.0595 0.707258 3.24204 0.136717 0.132245 3.81664 1.32841 0.89135 1.63186 1.02126 2.49984 0 0.0188228 0.0229832 0.000477792 0.000827559 0.0687052 0 VAL 207 3.201 0.015 3.186 3.201 0 2.14343 0.0478774 2.69977 2.59337 0 1.29299 0.914317 1.34377 1.03079 2.50504 0 0.027693 0.036592 0.0519071 0.0444175 0.108497 0 VAL 208 0.0498 0 0.0498 0.0498 0 0.0333467 0 0.0421998 0.0403468 0 1.98716 1.03287 1.34054 1.02784 3.29739 0 0.00456277 0.00499154 0.00225044 0.0031826 0.0116385 0 VAL 209 0 0 0 0 0 0 0 0 0 0 2.89196 0.856112 3.51959 0.304698 3.78081 1.33136 0.00710975 0.00862695 0.00552443 0.00781272 0.0215565 0 GLY 210 0.237 0.237 0 0 0.237 0.294264 0.294264 0 0 0.625 0.671275 0.675856 0