A0A3Q0KV03_SCHMA Loading...

Smp_201820

AlphaFold DB , UniProt , Accession A0A3Q0KV03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,383 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low31Very low134 Ų134138.1 Ų138.166%0.6671%0.713SS**  060.10-53.271140.300110.8G960 I961 A962M1-G960 CarbonylContact O-C 2.84Å; M1-I961 CarbonylContact C-O 3.59Å; M1-I961 VanDerWaalsContact CA-O 3.28Å; M1-I961 WeakPolarHBondContact CA-O 3.4Å; M1-I961 HydrophobicContact CB-CB 4.08Å; M1-I961 HydrophobicContact CB-CD1 4.06Å; M1-I961 HydrophobicContact CE-CD1 4.17Å; M1-I961 HydrophobicContact CG-CB 4.44Å; M1-I961 HydrophobicContact CG-CD1 4.19Å; M1-I961 PolarHBondContact N-O 3.21Å; M1-I961 PolarHBondContact O-N 3.37Å; M1-I961 VanDerWaalsContact O-O 3.06Å; M1-I961 HydrophobicContact SD-CB 3.75Å; M1-I961 HydrophobicContact SD-CD1 4.13Å; M1-I961 HydrophobicContact SD-CG1 4.26Å; M1-I961 HydrophobicContact SD-CG2 4.08Å; M1-A962 PolarHBondContact N-O 3.43Å
2H28.5Very low31.3Very low108 Ų108131.9 Ų131.950%0.571%0.708SS.*  cis32.886.35.7-95.7-89.5000113.5I961 N963H2-I961 PolarHBondContact N-O 2.77Å; H2-I961 VanDerWaalsContact N-O 3.1Å; H2-N963 HydrophobicContact CB-CB 3.79Å; H2-N963 PolarHBondContact CD2-N 3.48Å; H2-N963 VanDerWaalsContact CD2-N 3.33Å; H2-N963 PolarHBondContact CE1-O 3.28Å; H2-N963 VanDerWaalsContact CE1-O 3.23Å; H2-N963 PolarHBondContact ND1-O 3.29Å
3T26.3Very low31.5Very low137 Ų137134.3 Ų134.384%0.8471%0.712SS**  trans-142.388142.434.10000105.3
4S34.3Very low31.7Very low93 Ų93135 Ų13565%0.6571%0.709SS**  trans-67.5144.3158.643.80000109.5
5S30.9Very low31.8Very low110 Ų110132.9 Ų132.977%0.76970%0.704SS**  trans-151.294.5152.853.80000104.6
6E32.9Very low31.9Very low167 Ų167133.6 Ų133.678%0.7871%0.708SS**  67.3147.973.9-68.3-165147.100113.8
7Q36.1Very low31.8Very low171 Ų171130.6 Ų130.680%0.79970%0.7SS**  trans112.3125.1164.8-60.1-163.38.900115.5
8N30.2Very low32Very low112 Ų112133.3 Ų133.360%0.59971%0.705SS**  cis-169149.4-15.1-121.6-9.6000112
9I29.4Very low32.1Very low122 Ų122132.2 Ų132.263%0.62670%0.704SS**  trans68.9154.4140.3-68.5170.2000116.3
10Y30.3Very low32.1Very low214 Ų214131.5 Ų131.584%0.83970%0.7SS**  cis-124.9-166.99.7-127-52.2000113.2
11I29.5Very low32.3Very low151 Ų151133 Ų13377%0.77470%0.704SS**  trans-141.1148.1-157.8-61.9164000110.4
12G33.8Very low32.1Very low64 Ų64129.9 Ų129.966%0.6670%0.699SS**  trans173.8111.2160.800000109.9
13E33.6Very low32.2Very low163 Ų163131 Ų13176%0.76271%0.713SS**  73.2133.766.8-71.3-143.2117.700113.9
14Q34.3Very low32.3Very low144 Ų144129.2 Ų129.267%0.67371%0.706SS**  cis-169.1-165.4-9.2-160-161.692.200108.2
15V34.3Very low32Very low103 Ų103134.3 Ų134.362%0.62471%0.711SS**  trans88.297.7154.7-170.70000120.6
16N32.4Very low32Very low144 Ų144138.2 Ų138.277%0.7771%0.709SS**  59160.8124.3-60.2-4.2000122.8
17S31.5Very low32Very low83 Ų83139 Ų13958%0.5871%0.711SS**  cis-172.6-165.4-23.259.80000110.2
18F34.6Very low31.6Very low180 Ų180138.5 Ų138.579%0.78971%0.713SS**  trans74.9122.6-177.6-60.8-85000113.7
19T34.2Very low31.5Very low111 Ų111144.4 Ų144.468%0.68173%0.727SS**  cis71.1147.928.691.30000113.9
20D32.8Very low31.8Very low118 Ų118144.4 Ų144.463%0.63174%0.735SS**  cis-155.7165.812.5-148-4.9000114.5
21Q34.8Very low31.8Very low165 Ų165140.9 Ų140.977%0.77174%0.736SS**  trans59.3166.7152.1-76.9165.560.800121.2
22A30.3Very low31.8Very low67 Ų67140.2 Ų140.255%0.55473%0.733SS**  cis-178.8164-46.700000109.5
23T30.2Very low31.6Very low132 Ų132145.3 Ų145.381%0.8174%0.74SS**  trans69.3153.6162.276.80000117.6
24S27.4Very low31.9Very low99 Ų99142.6 Ų142.669%0.69274%0.737SS**  cis-170.9173.5-26.8-91.70000109
25R29.2Very low31.5Very low200 Ų200143 Ų14376%0.75574%0.743SS**  trans92.9111.3151.6-53.1-171.8177.8177.8-0.2117.7
26R29.6Very low31.3Very low192 Ų192145 Ų14573%0.72575%0.745SS**  71.5140.6129.9-62.1170.7-170.8-178.4-1.1117
27F32.9Very low31.1Very low184 Ų184146.8 Ų146.881%0.80774%0.742SS**  cis-134.3139.11.8-96.9-75.4000110.4
28N27.8Very low31Very low160 Ų160148.2 Ų148.286%0.85674%0.743SS**  trans-97.6128.9162.8-97.6-16.1000109.6
29R29.9Very low30.7Very low237 Ų237144 Ų14489%0.89474%0.736SS**  trans-173.4138.2133.9-106.6174.2-171.9-156.60.4111.7
30P33.8Very low30.4Very low121 Ų121145.5 Ų145.579%0.78674%0.739SS**  trans-86.6164.7168.237.2-34.8000111.3
31V30.7Very low30.2Very low141 Ų141145.1 Ų145.186%0.85574%0.741SS**  trans-145.3136.7163.5-163.90000108.8
32D29.2Very low29.9Very low136 Ų136141.6 Ų141.673%0.72774%0.735SS**  trans-62.7176.4166.6-57.5-90.3000111
33Q29.2Very low29.8Very low171 Ų171148.8 Ų148.880%0.79975%0.747SS**  cis-168.2158.935.4-151.2149.366.100109.8
34P40.1Very low29.6Very low106 Ų106147.2 Ų147.269%0.68874%0.738SS**  trans-91.2-159.3-179.538.7-36.5000112
35L27.4Very low29.7Very low153 Ų153150.3 Ų150.380%0.80174%0.744SS**  trans89.1149.3176.7-55.3177000115.6
36H29.5Very low29.6Very low145 Ų145146.4 Ų146.467%0.67174%0.738SS**  cis-172.6171.2-37.1-141.9-9.1000107.5
37Y27.2Very low29.4Very low182 Ų182144.8 Ų144.871%0.71474%0.736SS**  trans65.4152.4155.6-90.2-128.3000117.4
38N29.3Very low29.1Very low113 Ų113141.8 Ų141.860%0.60473%0.729SS**  cis-164.2163.3-27.3-150.9-0.2000110.2
39S30.2Very low29.1Very low91 Ų91143.7 Ų143.764%0.63672%0.724SS**  trans64.3167.415377.10000114.5
40L27.8Very low28.9Very low142 Ų142139.1 Ų139.174%0.74372%0.715SS**  -146.1145.151.8-85.6167000112.7
41T28.4Very low28.6Very low111 Ų111140.1 Ų140.168%0.68171%0.714SS**  trans17.1131142.865.20000117.9
42S27.9Very low28.4Very low90 Ų90137.3 Ų137.363%0.62970%0.7SS**  177.4155.683.8-83.70000110.1
43R28.3Very low28.5Very low218 Ų218139.4 Ų139.482%0.82371%0.705SS**  cis-156.8174.1-4.2-123.1166.7-178170.60.3109.5
44T26.8Very low28.5Very low100 Ų100134.3 Ų134.361%0.61370%0.699SS**  trans-27148146.758.40000113.3
45M28.2Very low28Very low164 Ų164136.9 Ų136.981%0.80871%0.705SS**  cis-147140.946.4-66179-176.700109.8
46N27.5Very low28.2Very low118 Ų118134.2 Ų134.263%0.63170%0.699SS**  62.9105.652-171.819.4000112.1
47F26Very low28.6Very low157 Ų157134.2 Ų134.269%0.68970%0.701SS**  171.6117.4120.7-109.8-88.9000111.5
48N26.1Very low29Very low122 Ų122131.5 Ų131.565%0.65271%0.706SS**  trans64.4164.9143.5-84.1-2.7000118.2
49R26.6Very low29.3Very low200 Ų200131.7 Ų131.776%0.75571%0.711SS**  cis-156.9176.87.5-135.5167.7-173.9178.60.1109
50I26.6Very low29.5Very low140 Ų140132.9 Ų132.972%0.71872%0.719SS**  trans60124.7149.7-69160.3000115.1
51L26.8Very low29.6Very low143 Ų143128.7 Ų128.775%0.74971%0.71SS**  cis164.7152.7-8.4-118171.2000103
52S27.2Very low29.6Very low81 Ų81129.8 Ų129.857%0.56672%0.717SS**  trans69.9141.9144.174.80000121.4
53H31Very low29.7Very low180 Ų180136.7 Ų136.783%0.83373%0.729SS**  trans63.9129.6163.3-47-61.1000117.7
54G29.2Very low29.6Very low65 Ų65131.9 Ų131.967%0.6772%0.716SS**  cis128168.2-300000112.7
55I30.4Very low29.8Very low160 Ų160133.3 Ų133.382%0.82173%0.727SS**  trans72.1139.3175.2-48.1166.4000113.3
56S30.2Very low29.6Very low96 Ų96129.3 Ų129.367%0.67171%0.712SS**  cis-159.1169.1-34.563.20000108.6
57M38.8Very low29.5Very low145 Ų145130 Ų13071%0.71472%0.716SS**  trans-76.1-177.1158-54.3-174.389.400109.8V59M57-V59 HydrophobicContact CB-CG2 4.23Å; M57-V59 HydrophobicContact CE-CG2 4.33Å; M57-V59 HydrophobicContact SD-CG2 3.65Å
58P34.8Very low29.5Very low125 Ų125130.5 Ų130.581%0.81272%0.718SS**  -113.1130.6114.131-33.8000112.2
59V36.2Very low29.5Very low118 Ų118135 Ų13572%0.71573%0.726SS**  trans-96.3128.8161.9173.80000107.4M57M57-V59 HydrophobicContact CB-CG2 4.23Å; M57-V59 HydrophobicContact CE-CG2 4.33Å; M57-V59 HydrophobicContact SD-CG2 3.65Å
60S34.2Very low29.6Very low115 Ų115131.7 Ų131.780%0.80472%0.719SS**  trans-157.3136.2170.7-60.80000108.2
61G31.3Very low29.9Very low54 Ų54131.2 Ų131.256%0.55773%0.725SS**  cis-175.7109.8-6.800000112.5W63G61-W63 PolarHBondContact O-N 3.36Å
62T28Very low29.9Very low134 Ų134127.7 Ų127.782%0.82271%0.706SS**  trans25.184.8134.356.10000119.3
63W29.1Very low29.9Very low235 Ų235132.7 Ų132.789%0.8971%0.714SS**  trans-155.4149.5147.8-68.897.3000109.7G61G61-W63 PolarHBondContact O-N 3.36Å
64H27.8Very low29.9Very low117 Ų117131 Ų13154%0.54271%0.711SS.*  cis-159.8133.2-39.5-155-92.8000107.5T66H64-T66 VanDerWaalsContact C-N 3.25Å; H64-T66 VanDerWaalsContact ND1-CG2 3.28Å; H64-T66 WeakPolarHBondContact ND1-CG2 3.35Å; H64-T66 PolarHBondContact ND1-OG1 3.43Å; H64-T66 PolarHBondContact O-N 3.43Å
65P29Very low29.9Very low130 Ų130134.9 Ų134.984%0.84472%0.715SS**SBendtrans-85.960.9-177.335.7-36000111.5
66T25.7Very low30.2Very low80 Ų80135.2 Ų135.249%0.49172%0.718SS.*  trans-144.2157.1-176.951.20000113H64H64-T66 VanDerWaalsContact C-N 3.25Å; H64-T66 VanDerWaalsContact ND1-CG2 3.28Å; H64-T66 WeakPolarHBondContact ND1-CG2 3.35Å; H64-T66 PolarHBondContact ND1-OG1 3.43Å; H64-T66 PolarHBondContact O-N 3.43Å
67D25.6Very low30.2Very low134 Ų134138.7 Ų138.772%0.71772%0.724SS**  trans66.5126.3157.1-61.4-1.8000118.8
68F24.6Very low30.1Very low166 Ų166136.9 Ų136.973%0.72872%0.722SS**  cis-175.8170.5-22.8-136-103.6000103.1
69R26.8Very low30Very low218 Ų218135.7 Ų135.782%0.82371%0.713SS**  trans70.8105.7173.6-57.2168.5-165.7-116.7-1.1112.3
70Q28.6Very low29.6Very low129 Ų129135.8 Ų135.860%0.60372%0.716SS**  cis49.298.140.2-91.7-178.8-49.600109.5D72Q70-D72 HydrophobicContact CB-CB 3.75Å; Q70-D72 HydrophobicContact CG-CB 3.66Å; Q70-D72 PolarHBondContact NE2-OD1 3.12Å; Q70-D72 PolarHBondContact NE2-OD2 2.99Å
71P33.1Very low29.5Very low130 Ų130139.6 Ų139.684%0.84472%0.718SS**  -93.6118.875.227.7-35000111.5
72D26.5Very low29.3Very low69 Ų69146.5 Ų146.537%0.36973%0.728SS.*  cis67.3134.826.7-13421.5000114.2Q70Q70-D72 HydrophobicContact CB-CB 3.75Å; Q70-D72 HydrophobicContact CG-CB 3.66Å; Q70-D72 PolarHBondContact NE2-OD1 3.12Å; Q70-D72 PolarHBondContact NE2-OD2 2.99Å
73Y27.6Very low29.3Very low186 Ų186148.5 Ų148.573%0.72972%0.72SS**  trans65.8137.8-179.3-45.2-68.4000114.8
74L31.7Very low29.2Very low146 Ų146146.1 Ų146.176%0.76471%0.711SS**  cis-125.1129.13-72.1169.5000109.2
75L29Very low29.3Very low145 Ų145146.6 Ų146.676%0.75972%0.722SS**  48.595.990-77.9172.6000114.4
76L35.4Very low29.4Very low168 Ų168145 Ų14588%0.8871%0.714SS**  trans-168.690.8130.9-103.5158.5000111.3
77Q30.2Very low30Very low169 Ų169146.8 Ų146.879%0.7973%0.73SS**  trans-66.9155.2149.6-61.5-175.20.300108.1
78P36.7Very low30.6Very low106 Ų106143.4 Ų143.469%0.68873%0.727SS**  -149114.7102.633.8-15.5000116.6
79T32.4Very low31Very low101 Ų101140.9 Ų140.962%0.6273%0.729SS**  64.9138.5129.6680000122.3
80P27.8Very low31.4Very low120 Ų120137.1 Ų137.178%0.77973%0.731SS**  trans-82.8143.916234.4-33.4000112.7
81K33.1Very low31.8Very low194 Ų194133.6 Ų133.684%0.84373%0.729SS**  trans-127.198164.6-69.5178.2-177.6172.30107.3
82R26.7Very low31.6Very low200 Ų200135.1 Ų135.176%0.75573%0.73SS**  71.9121.755.9-144.9-160.9-167-163.66.5112.1
83R27.3Very low31.6Very low176 Ų176136.5 Ų136.566%0.66474%0.744SS**  trans75.9148.6166.8-65.7-178.5170.3-179.5-4.3115.6
84R28.3Very low31.6Very low185 Ų185136 Ų13670%0.69874%0.741SS**  cis-160.8157.13.1-131172-178.1172.1-5.9111.1
85T29.2Very low31.4Very low127 Ų127137 Ų13778%0.77974%0.735SS**  trans60.1146154.341.70000118.5
86S31.3Very low31.1Very low96 Ų96139.5 Ų139.567%0.67174%0.735SS**  cis-163.1167.6-337.20000110.3
87S37.1Very low30.6Very low118 Ų118135.3 Ų135.383%0.82572%0.719SS**  trans50.3113.7157.153.70000118.1
88G39.5Very low30.4Very low63 Ų63133.3 Ų133.365%0.64972%0.719SS**  cis-161.4159.8500000111.2
89S32.6Very low29.9Very low112 Ų112130.8 Ų130.878%0.78370%0.704SS**  51.2115.296.167.20000113.4
90T36.2Very low29.6Very low140 Ų140130 Ų13086%0.85970%0.702SS**  cis-151.6151.69.4-11.30000108.9
91G35.5Very low29.6Very low55 Ų55131.5 Ų131.557%0.56769%0.692SS**  104.492.280.200000107.3
92L30.1Very low29.3Very low162 Ų162126.5 Ų126.585%0.84868%0.675SS**  55.9105.393-64.7171.9000111
93S26.9Very low29.3Very low97 Ų97119.8 Ų119.868%0.67867%0.668SS**  67.5141.458.6-164.50000113.2
94R26.5Very low29.4Very low175 Ų175119.6 Ų119.666%0.6668%0.675SS**  trans69.3125.2165.7-70.7171.7176.2-166.1-0.2118.1
95R27.3Very low29.2Very low167 Ų167119 Ų11963%0.6368%0.677SS**  trans71.6168.6137.6-62.2168.2-165.5179.6-2.1111.4
96Y24.1Very low29.2Very low198 Ų198117.9 Ų117.978%0.77668%0.675SS**  cis-109.2142.212-81.6-113000110.2
97C23.9Very low29.1Very low80 Ų80116.5 Ų116.554%0.54168%0.675SS.*  63.9149.760.3-57.10000112
98T25.4Very low28.9Very low128 Ų128118.8 Ų118.879%0.78568%0.678SS**  trans67.3137.5-173.474.50000114.3
99S26.1Very low28.4Very low53 Ų53122.6 Ų122.637%0.37168%0.683SS.*  cis-160.9152.8-16.2-101.60000110.9P1136 V1137 N1138S99-P1136 VanDerWaalsContact CB-C 3.49Å; S99-P1136 WeakPolarHBondContact CB-O 3.48Å; S99-V1137 CarbonylContact C-O 3.55Å; S99-V1137 WeakPolarHBondContact CA-O 3.4Å; S99-V1137 WeakPolarHBondContact CB-O 3.42Å; S99-V1137 PolarHBondContact N-O 2.89Å; S99-V1137 CarbonylContact O-C 3.5Å; S99-V1137 PolarHBondContact O-N 2.99Å; S99-N1138 PolarHBondContact O-N 2.7Å
100S26.8Very low28.3Very low83 Ų83122.7 Ų122.758%0.5868%0.681SS**  trans-73-169.2-175-58.40000114.1N1135 P1136 V1137S100-N1135 VanDerWaalsContact C-CB 3.49Å; S100-N1135 CarbonylContact O-C 3.56Å; S100-N1135 VanDerWaalsContact O-O 3.12Å; S100-P1136 CarbonylContact O-C 3.59Å; S100-P1136 WeakPolarHBondContact O-CA 3.26Å; S100-P1136 VanDerWaalsContact O-N 3.12Å; S100-V1137 PolarHBondContact O-N 3.32Å; S100-V1137 VanDerWaalsContact O-N 3.08Å
101R27.2Very low27.9Very low153 Ų153120.7 Ų120.758%0.57767%0.668SS**  trans-123.4172.9170.4-147.664.9-87.1-115.6-0.5112.8N1135R101-N1135 VanDerWaalsContact CZ-O 3.27Å; R101-N1135 PolarHBondContact NE-O 3.36Å; R101-N1135 PolarHBondContact NH2-O 3.46Å; R101-N1135 VanDerWaalsContact O-CB 3.25Å; R101-N1135 WeakPolarHBondContact O-CB 3.42Å; R101-N1135 PolarHBondContact O-ND2 3.49Å
102N27.2Very low27.6Very low88 Ų88125.9 Ų125.947%0.47168%0.677SS.*  trans-104.5167-172.3-92.918.2000112N1135N102-N1135 PolarHBondContact OD1-N 3.05Å
103G27.7Very low27.6Very low60 Ų60123.6 Ų123.662%0.61968%0.675SS**  trans110.3128.8167.100000111.4
104H27.7Very low28Very low172 Ų172121.9 Ų121.980%0.79666%0.663SS**  77.8133.954.6-65.25.7000112.1
105F26.1Very low28.4Very low173 Ų173123.4 Ų123.476%0.75967%0.669SS**  cis-156.2141-2-132.9-147.6000109.9
106S29.2Very low28.7Very low103 Ų103122.7 Ų122.772%0.7268%0.678SS**  trans70.2144139-55.10000122.8
107G29.2Very low29.2Very low66 Ų66119 Ų11968%0.6867%0.67SS**  trans87.9128.2162.100000116
108D31.9Very low29.5Very low167 Ų167120.3 Ų120.389%0.89368%0.681SS**  cis-153.9162.9-14.8-110.1-44.5000112.1
109L29.4Very low29.7Very low142 Ų142125.1 Ų125.174%0.74369%0.686SS**  trans-84.4175.1166.5-74.4155.2000109.7V111L109-V111 HydrophobicContact CD2-CB 4.39Å; L109-V111 HydrophobicContact CD2-CG2 3.69Å
110P30.4Very low29.8Very low115 Ų115128.1 Ų128.175%0.74770%0.696SS**  cis-120.9172.52.438.9-21.9000113.1
111V27.9Very low29.9Very low97 Ų97129.4 Ų129.459%0.58871%0.705SS**  cis83.7133.628.6170.10000115.5L109L109-V111 HydrophobicContact CD2-CB 4.39Å; L109-V111 HydrophobicContact CD2-CG2 3.69Å
112H29.3Very low30Very low164 Ų164131.6 Ų131.676%0.75972%0.721SS**  trans69.3153178.7-64.7-42.3000116
113S30.4Very low30.1Very low115 Ų115135.1 Ų135.180%0.80474%0.737SS**  cis-160.4154.124.4-152.60000111.2
114S33.7Very low30.1Very low61 Ų61136.2 Ų136.243%0.42774%0.741SS.*  cis-174.8138.1-18.3-92.40000111.9
115R35.1Very low30.2Very low206 Ų206135.7 Ų135.778%0.77774%0.744SS**  trans71.3158.5151.1-56.9156.3-162.3-171.62.2118.5
116N33.6Very low30.4Very low153 Ų153134 Ų13482%0.81874%0.738SS**  cis-122.7141-3.6-46.2-83.5000108.4
117L34.5Very low30.3Very low119 Ų119138.8 Ų138.862%0.62374%0.74SS**  cis77.585.9-1.8-138.8-176.5000118.9M120L117-M120 HydrophobicContact CD1-SD 4.36Å; L117-M120 HydrophobicContact CD2-CG 4.12Å; L117-M120 HydrophobicContact CD2-SD 3.98Å; L117-M120 HydrophobicContact CG-SD 4.31Å
118S31Very low30.3Very low109 Ų109145.4 Ų145.476%0.76275%0.75SS**  trans-170.4132.2132.2560000107.9
119Y30.1Very low30.1Very low228 Ų228144.1 Ų144.189%0.89474%0.742SS**  cis-121.9151.524-129-104.2000112.7
120M27.8Very low29.9Very low117 Ų117148.9 Ų148.958%0.57675%0.75SS**  trans-130.1142.1171.7-70.8175.963.400109.5L117 M123L117-M120 HydrophobicContact CD1-SD 4.36Å; L117-M120 HydrophobicContact CD2-CG 4.12Å; L117-M120 HydrophobicContact CD2-SD 3.98Å; L117-M120 HydrophobicContact CG-SD 4.31Å; M120-M123 HydrophobicContact CE-CE 4.25Å
121S28Very low29.9Very low109 Ų109149.4 Ų149.476%0.76276%0.757SS**  164.9110.1121.857.40000112.2
122E31Very low29.9Very low199 Ų199153 Ų15393%0.9377%0.771SS**  -165.8157101.6-100.4-171.613900109.9
123M27.4Very low29.8Very low162 Ų162152.2 Ų152.280%0.79877%0.773SS**  trans-123.9142.8-170.1-78.5-177.6166.200112.7M120M120-M123 HydrophobicContact CE-CE 4.25Å
124A28.8Very low29.7Very low84 Ų84150.3 Ų150.369%0.69476%0.76SS**  trans42.9101.9144.200000119.3
125N29.5Very low29.5Very low161 Ų161157.7 Ų157.786%0.86178%0.778SS**  -137.6107126.1-91.6-65.7000108.7
126H29.7Very low29.3Very low136 Ų136155.5 Ų155.563%0.6378%0.782SS**  66.1108.387.6-106.8-117000115.4
127R28.1Very low29.2Very low205 Ų205153.2 Ų153.277%0.77478%0.778SS**  trans37.4118.7145.3-52.5177.2-174.1177.1-0.1118
128F28.8Very low29Very low204 Ų204155.6 Ų155.690%0.89579%0.786SS**  -163.9173.3106.5-119.4-85.4000112.8
129I28.2Very low29Very low141 Ų141157.5 Ų157.572%0.72379%0.787SS**  trans-103.4138.7-170.6-66170.2000110.8
130R24.9Very low29Very low242 Ų242152.8 Ų152.891%0.91378%0.782SS**  trans35.7105.1162.1-63.9174178.5175.2-1117.9
131S29.7Very low29.2Very low126 Ų126156.1 Ų156.188%0.88179%0.794SS**  trans-148148.3135.863.90000112.3
132L27.6Very low29.2Very low171 Ų171159.2 Ų159.290%0.89580%0.796SS**  trans-73.5151.3-178-77.1149.3000113.9
133D27.4Very low29.2Very low148 Ų148156.2 Ų156.279%0.79179%0.786SS**  trans86.3136.6136.6-15520.9000122.9
134S28Very low29.4Very low75 Ų75154.2 Ų154.252%0.52478%0.779SS.*  trans47.1117.7162.283.80000121.3
135R31.1Very low29.5Very low217 Ų217156.7 Ų156.782%0.81978%0.779SS**  161151.6109.1-86.1157-168-132.4-3.4113.6
136N29.8Very low29.4Very low160 Ų160156.7 Ų156.786%0.85677%0.772SS**  trans67.4143.2172.7-51.9-7.7000114.6
137S31.8Very low29.5Very low104 Ų104155.9 Ų155.973%0.72777%0.769SS**  cis-154134.4-1144.60000107
138E29.7Very low29.6Very low170 Ų170152.3 Ų152.379%0.79477%0.766SS**  59.9133.165-98.8-174.617500115.7
139N31.2Very low29.7Very low149 Ų149146.4 Ų146.480%0.79776%0.755SS**  trans70.4118.5-174.3-41.8-69000112.6
140V31.1Very low29.8Very low128 Ų128150.8 Ų150.878%0.77676%0.762SS**  -167.6142.364.1149.90000106.4
141F30.8Very low30Very low188 Ų188143.5 Ų143.583%0.82575%0.746SS**  cis-147.4165.24.9-137-133.9000110.4
142Q28.9Very low30.1Very low173 Ų173145.9 Ų145.981%0.80875%0.747SS**  trans-104.4149.9172.5-67.9175.3-36.100111.6
143N31.5Very low30.2Very low137 Ų137146 Ų14673%0.73374%0.743SS**  trans173.9141.8150.6-91.3-26.9000108.3
144N31.1Very low30.3Very low119 Ų119146.3 Ų146.364%0.63674%0.739SS**  cis-159.1163.2-3.6-136.8-26.5000112.2
145I30.7Very low30.5Very low137 Ų137151.1 Ų151.170%0.70375%0.753SS**  trans74107.5160.1-62.3156.9000116.6
146F27.3Very low30.1Very low160 Ų160151.6 Ų151.670%0.70276%0.755SS**  65.9135.573.5-79.6-74.7000113.8
147M31.2Very low30.2Very low119 Ų119149.5 Ų149.559%0.58675%0.75SS**  cis-149.5153.429.1-85.4-67.617400113.8
148N30.7Very low30Very low130 Ų130152.5 Ų152.570%0.69575%0.753SS**  trans54.1151.4140-60.3-20.2000123.6
149A30.5Very low30.1Very low81 Ų81151 Ų15167%0.66976%0.755SS**  cis-168.5140.4-2300000113.3
150R30.1Very low29.9Very low233 Ų233150.3 Ų150.388%0.87975%0.751SS**  trans46.8130.3148.2-60.5-175.3-179.2-142.1-1.4122.7
151P30.7Very low30Very low88 Ų88150.3 Ų150.357%0.57175%0.753SS**  trans-97.6167.1169.139.3-34.6000114.4
152I30.1Very low30Very low176 Ų176146.8 Ų146.890%0.90375%0.747SS**  trans-133.8157.1168.6-65.8-177.5000109.9
153H30.2Very low30.2Very low175 Ų175143.8 Ų143.881%0.8175%0.745SS**  trans-95.6175.2-169.1-146.2-104.3000113.1
154Q29.7Very low30.2Very low153 Ų153144.6 Ų144.672%0.71575%0.745SS**  trans103.2125.9157.6-63.8-173.4-14.900121.9
155H31.8Very low30.5Very low176 Ų176146 Ų14682%0.81575%0.747SS**  trans91.8146.9145.2-64.81.6000120.6
156W23Very low30.9Very low227 Ų227144 Ų14486%0.8674%0.743SS**  trans-146.8126.1-164.3-177.2-46.2000109.1
157P31.2Very low31.6Very low116 Ų116141.1 Ų141.175%0.75374%0.735SS**  trans-104.8143.4166.135-27.5000112.2
158Q28.6Very low32Very low168 Ų168144.3 Ų144.379%0.78574%0.741SS**  trans-90.5134.8177.3-63.3174.3-5.800111
159V31.6Very low32.4Very low137 Ų137147.7 Ų147.783%0.8374%0.744SS**  trans-140.1122160.6-175.50000108.7
160L26.2Very low33.1Very low136 Ų136149.6 Ų149.671%0.71274%0.739SS**  trans-105.1134.1169.5-78.384.3000110
161P33.7Very low33.7Very low128 Ų128143.1 Ų143.183%0.83172%0.722SS**  trans-87.4131.6150.8-4.323.7000109.6
162T31.8Very low34.4Very low113 Ų113143.4 Ų143.469%0.69372%0.716SS**  trans-110.514817647.10000111.8
163S31.8Very low35.2Very low110 Ų110140.5 Ų140.577%0.76970%0.701SS**  trans70.4152.6175.485.70000115.2
164Q33.2Very low36.2Very low154 Ų154140.8 Ų140.872%0.7270%0.695SS**  cis-132.9170.710.2-64.3177.1-11.900112.8
165H37.1Very low37.6Very low148 Ų148139.3 Ų139.369%0.68569%0.688SS**  trans64.370.9164.9-59.6-68.9000121.4N167H165-N167 VanDerWaalsContact C-N 3.31Å
166P38.2Very low38.5Very low96 Ų96135 Ų13562%0.62367%0.674SS**SBendtrans-71.1-22.4160.6-14.830.6000114.2R168P166-R168 PolarHBondContact O-N 3.06Å
167N42Very low39.9Very low100 Ų100128.3 Ų128.354%0.53566%0.659SS.*Hα-helixtrans-81.4-16.8-156-59.111.7000115.2H165 N171H165-N167 VanDerWaalsContact C-N 3.31Å; N167-N171 PolarHBondContact O-N 3.49Å
168R40.2Very low41Very low186 Ų186125.7 Ų125.770%0.70264%0.643SS**Hα-helixtrans-67.7-50.7-176-166.7175.1-177.7177.71.6111.2P166 Q170 N171 E172P166-R168 PolarHBondContact O-N 3.06Å; R168-Q170 VanDerWaalsContact C-N 3.3Å; R168-Q170 PolarHBondContact O-N 3.4Å; R168-N171 PolarHBondContact O-N 3.07Å; R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.47Å
169W38.4Very low42.5Very low200 Ų200123.6 Ų123.676%0.75864%0.636SS**Hα-helixtrans-63.5-32178-63.2103.5000113.4N171 L173W169-N171 VanDerWaalsContact C-N 3.35Å; W169-L173 WeakPolarHBondContact O-CB 3.44Å; W169-L173 WeakPolarHBondContact O-CG 3.41Å; W169-L173 PolarHBondContact O-N 2.93Å
170Q45Very low43.7Very low122 Ų122121.7 Ų121.757%0.5763%0.625SS**Hα-helixtrans-69.5-30.9173.1-72.4-168.4-18.400112.9R168 R174R168-Q170 VanDerWaalsContact C-N 3.3Å; R168-Q170 PolarHBondContact O-N 3.4Å; Q170-R174 VanDerWaalsContact O-CB 3.26Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.47Å
171N43.7Very low45.1Very low97 Ų97118.1 Ų118.152%0.51961%0.611SS.*Hα-helixtrans-75.1-42173.7-77.8-1.9000112N167 R168 W169 R174 Q175N167-N171 PolarHBondContact O-N 3.49Å; R168-N171 PolarHBondContact O-N 3.07Å; W169-N171 VanDerWaalsContact C-N 3.35Å; N171-R174 PolarHBondContact O-N 2.89Å; N171-Q175 WeakPolarHBondContact O-CG 3.36Å; N171-Q175 PolarHBondContact O-N 3.12Å
172E44.3Very low46.5Very low94 Ų94116.2 Ų116.244%0.43960%0.597SS.*Hα-helixtrans-56.9-52.2172.4-62.8-77.5158.900110.6R168 R174 Q175 V176R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.47Å; E172-R174 VanDerWaalsContact C-N 3.35Å; E172-R174 PolarHBondContact O-N 3.15Å; E172-Q175 PolarHBondContact O-N 3.2Å; E172-Q175 VanDerWaalsContact O-N 3.12Å; E172-V176 WeakPolarHBondContact O-CG2 3.4Å; E172-V176 PolarHBondContact O-N 3.22Å
173L47Very low47.5Very low114 Ų114113.7 Ų113.760%0.59759%0.588SS**Hα-helixtrans-61.5-40.1177.1-76.1166.5000112.3W169 Q175 V176 T177W169-L173 WeakPolarHBondContact O-CB 3.44Å; W169-L173 WeakPolarHBondContact O-CG 3.41Å; W169-L173 PolarHBondContact O-N 2.93Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.24Å; L173-V176 PolarHBondContact O-N 3.31Å; L173-T177 WeakPolarHBondContact O-CG2 3.3Å; L173-T177 PolarHBondContact O-N 2.98Å; L173-T177 PolarHBondContact O-OG1 3.36Å; L173-T177 VanDerWaalsContact O-OG1 3.05Å
174R52.1Low48.7Very low181 Ų181111.2 Ų111.268%0.68357%0.574SS**Hα-helixtrans-62.3-39.3173.5-84.6178.3176.7-115.10112.4Q170 N171 E172 T177 S178Q170-R174 VanDerWaalsContact O-CB 3.26Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.47Å; N171-R174 PolarHBondContact O-N 2.89Å; E172-R174 VanDerWaalsContact C-N 3.35Å; E172-R174 PolarHBondContact O-N 3.15Å; R174-T177 WeakPolarHBondContact CA-OG1 3.26Å; R174-T177 PolarHBondContact O-OG1 3.17Å; R174-T177 VanDerWaalsContact O-OG1 3.14Å; R174-S178 WeakPolarHBondContact O-CB 3.03Å; R174-S178 PolarHBondContact O-N 3.19Å
175Q57.6Low50Low122 Ų122108.7 Ų108.757%0.5757%0.569SS**Hα-helixtrans-66.2-43.8176.2-74.81798.200111.2N171 E172 L173 S178 L179N171-Q175 WeakPolarHBondContact O-CG 3.36Å; N171-Q175 PolarHBondContact O-N 3.12Å; E172-Q175 PolarHBondContact O-N 3.2Å; E172-Q175 VanDerWaalsContact O-N 3.12Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.24Å; Q175-S178 WeakPolarHBondContact O-CB 3.47Å; Q175-S178 PolarHBondContact O-N 3.4Å; Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 WeakPolarHBondContact O-CG 3.35Å; Q175-L179 PolarHBondContact O-N 3.34Å
176V51.1Low51Low86 Ų86104.3 Ų104.352%0.52156%0.558SS.*Hα-helixtrans-63.3-48.3175.9176.30000111.4E172 L173 S178 L179 V180E172-V176 WeakPolarHBondContact O-CG2 3.4Å; E172-V176 PolarHBondContact O-N 3.22Å; L173-V176 PolarHBondContact O-N 3.31Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.37Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 2.94Å
177T54.1Low51.9Low87 Ų87102.7 Ų102.753%0.53455%0.553SS.*Hα-helixtrans-65-34.1176.255.30000112.3L173 R174 S181L173-T177 WeakPolarHBondContact O-CG2 3.3Å; L173-T177 PolarHBondContact O-N 2.98Å; L173-T177 PolarHBondContact O-OG1 3.36Å; L173-T177 VanDerWaalsContact O-OG1 3.05Å; R174-T177 WeakPolarHBondContact CA-OG1 3.26Å; R174-T177 PolarHBondContact O-OG1 3.17Å; R174-T177 VanDerWaalsContact O-OG1 3.14Å; T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.22Å
178S52.3Low52.6Low61 Ų61100.9 Ų100.943%0.42755%0.552SS.*Hα-helixtrans-63.2-48.7174.1-178.30000110.5R174 Q175 V176 V180 S181 V182R174-S178 WeakPolarHBondContact O-CB 3.03Å; R174-S178 PolarHBondContact O-N 3.19Å; Q175-S178 WeakPolarHBondContact O-CB 3.47Å; Q175-S178 PolarHBondContact O-N 3.4Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.37Å; S178-V180 PolarHBondContact O-N 3.49Å; S178-S181 WeakPolarHBondContact CA-OG 3.49Å; S178-S181 PolarHBondContact O-N 3.2Å; S178-S181 PolarHBondContact O-OG 3.02Å; S178-V182 WeakPolarHBondContact O-CB 3.19Å; S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.46Å
179L60.1Low53.3Low123 Ų12394.6 Ų94.664%0.64454%0.54SS*.Hα-helixtrans-61.8-43.2179.2-74.4166.4000111.8Q175 V176 V182 A183Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 WeakPolarHBondContact O-CG 3.35Å; Q175-L179 PolarHBondContact O-N 3.34Å; V176-L179 PolarHBondContact O-N 2.81Å; L179-V182 PolarHBondContact O-N 3.14Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.35Å
180V57.7Low54Low98 Ų9887.8 Ų87.859%0.59453%0.526SS*.Hα-helixtrans-62.3-43.3174.31740000111.2V176 S178 A183 A184V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 2.94Å; S178-V180 PolarHBondContact O-N 3.49Å; V180-A183 PolarHBondContact O-N 2.95Å; V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 2.86Å
181S56.5Low54.1Low61 Ų6184.4 Ų84.443%0.42752%0.519SS..Hα-helixtrans-66.7-36.6177.271.70000113.1T177 S178 A184 V185T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.22Å; S178-S181 WeakPolarHBondContact CA-OG 3.49Å; S178-S181 PolarHBondContact O-N 3.2Å; S178-S181 PolarHBondContact O-OG 3.02Å; S181-A184 PolarHBondContact O-N 3.41Å; S181-V185 WeakPolarHBondContact O-CB 3.5Å; S181-V185 VanDerWaalsContact O-CG2 3.27Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.9Å
182V62Low54.3Low87 Ų8782.2 Ų82.253%0.52751%0.514SS..Hα-helixtrans-70-39.1175.8169.50000110.8S178 L179 V185 A186S178-V182 WeakPolarHBondContact O-CB 3.19Å; S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.46Å; L179-V182 PolarHBondContact O-N 3.14Å; V182-V185 PolarHBondContact O-N 3.12Å; V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 2.95Å
183A53.9Low54.4Low61 Ų6180.7 Ų80.750%0.50452%0.518SS..Hα-helixtrans-63.7-43.7173.400000111.9L179 V180 A186 A187L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.35Å; V180-A183 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3.05Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.99Å
184A56.2Low54.4Low58 Ų5880 Ų8048%0.47952%0.519SS..Hα-helixtrans-64.1-42.6175.800000112.5V180 S181 A187 A188V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 2.86Å; S181-A184 PolarHBondContact O-N 3.41Å; A184-A187 PolarHBondContact O-N 3.24Å; A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.48Å
185V60.2Low53.9Low101 Ų10178.6 Ų78.661%0.61252%0.52SS*.Hα-helixtrans-68-36.2175.3169.70000111.6S181 V182 A188 A189S181-V185 WeakPolarHBondContact O-CB 3.5Å; S181-V185 VanDerWaalsContact O-CG2 3.27Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.9Å; V182-V185 PolarHBondContact O-N 3.12Å; V185-A188 PolarHBondContact O-N 2.81Å; V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.37Å
186A58.3Low53Low55 Ų5579.8 Ų79.846%0.45553%0.53SS..Hα-helixtrans-67.1-40.6174.600000112V182 A183 A189 A190V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3.05Å; A186-A189 PolarHBondContact O-N 3.17Å; A186-A190 WeakPolarHBondContact O-CB 3Å; A186-A190 PolarHBondContact O-N 3.32Å
187A58Low52.3Low63 Ų6380 Ų8052%0.52154%0.536SS..Hα-helixtrans-64.2-43.9173.700000111.8A183 A184 A190 A191A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.99Å; A184-A187 PolarHBondContact O-N 3.24Å; A187-A190 PolarHBondContact O-N 2.96Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.19Å
188A55.2Low51.3Low61 Ų6181.5 Ų81.550%0.50454%0.544SS..Hα-helixtrans-64.5-38.9174.700000112.5A184 V185 A191 A192A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.48Å; V185-A188 PolarHBondContact O-N 2.81Å; A188-A191 PolarHBondContact O-N 3.34Å; A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.17Å
189A55.4Low50.3Low55 Ų5587.1 Ų87.146%0.45556%0.564SS.*Hα-helixtrans-68.8-36.3175.700000112.3V185 A186 A192 A193V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.37Å; A186-A189 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.5Å; A189-A193 VanDerWaalsContact O-CB 3.29Å; A189-A193 WeakPolarHBondContact O-CB 3.15Å; A189-A193 PolarHBondContact O-N 2.92Å
190A53.3Low48.8Very low56 Ų5690.1 Ų90.146%0.46357%0.568SS.*Hα-helixtrans-64.5-47172.700000111.3A186 A187 A192 A193 T194A186-A190 WeakPolarHBondContact O-CB 3Å; A186-A190 PolarHBondContact O-N 3.32Å; A187-A190 PolarHBondContact O-N 2.96Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.06Å; A190-A193 WeakPolarHBondContact O-CB 3.36Å; A190-A193 PolarHBondContact O-N 3.28Å; A190-A193 VanDerWaalsContact O-N 3.17Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 2.78Å
191A47.7Very low47.6Very low52 Ų5295.1 Ų95.143%0.4359%0.585SS.*Hα-helixtrans-60.1-41.5175.500000112.5A187 A188 T194 Q195A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.19Å; A188-A191 PolarHBondContact O-N 3.34Å; A191-T194 WeakPolarHBondContact CA-OG1 3.37Å; A191-T194 PolarHBondContact O-N 2.71Å; A191-T194 PolarHBondContact O-OG1 3.29Å; A191-Q195 PolarHBondContact O-N 2.71Å
192A48.2Very low46.4Very low50 Ų5097.9 Ų97.941%0.41359%0.591SS.*Hα-helixtrans-68.1-35.6174.700000112.8A188 A189 A190 Q195 N196A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.5Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.06Å; A192-Q195 PolarHBondContact O-N 3.16Å; A192-N196 PolarHBondContact O-N 2.71Å
193A45.6Very low45Very low63 Ų6399.7 Ų99.752%0.52161%0.607SS.*Hα-helixtrans-65.5-41175.100000111.7A189 A190 Q195 N196A189-A193 VanDerWaalsContact O-CB 3.29Å; A189-A193 WeakPolarHBondContact O-CB 3.15Å; A189-A193 PolarHBondContact O-N 2.92Å; A190-A193 WeakPolarHBondContact O-CB 3.36Å; A190-A193 PolarHBondContact O-N 3.28Å; A190-A193 VanDerWaalsContact O-N 3.17Å; A193-Q195 PolarHBondContact O-N 3.05Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-N196 VanDerWaalsContact O-N 3.16Å
194T46Very low43.8Very low99 Ų99104.7 Ų104.761%0.60762%0.618SS**Hα-helixtrans-66.9-16.9175.145.50000114.3A190 A191A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 2.78Å; A191-T194 WeakPolarHBondContact CA-OG1 3.37Å; A191-T194 PolarHBondContact O-N 2.71Å; A191-T194 PolarHBondContact O-OG1 3.29Å
195Q42.3Very low42.7Very low152 Ų152109.7 Ų109.771%0.7164%0.635SS**THydrogen-bonded Turntrans-93.1-7.2174.2-71.2-175.3-13.100113.8A191 A192 A193A191-Q195 PolarHBondContact O-N 2.71Å; A192-Q195 PolarHBondContact O-N 3.16Å; A193-Q195 PolarHBondContact O-N 3.05Å
196N39.1Very low41.2Very low146 Ų146109.2 Ų109.278%0.78164%0.636SS**SBendtrans-106.64.2-176.6-107.9-23000114.1A192 A193A192-N196 PolarHBondContact O-N 2.71Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-N196 VanDerWaalsContact O-N 3.16Å
197S35.4Very low40.1Very low92 Ų92111.5 Ų111.564%0.64365%0.646SS**SBendtrans-94.14.1-174.9610000115.3
198T33.7Very low38.7Very low117 Ų117113.9 Ų113.972%0.71866%0.655SS**SBendtrans-118.837.8-171.758.40000113.9
199H31.8Very low37.5Very low180 Ų180117 Ų11783%0.83367%0.668SS**SBendtrans-150.533.1173.9-144.1-69.7000116.1
200Y29.2Very low36.1Very low186 Ų186120.2 Ų120.273%0.72968%0.681SS**  trans-150100.6172.6-139.1-101.4000112.9Q202Y200-Q202 HydrophobicContact CD1-CG 4.26Å; Y200-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y200-Q202 HydrophobicContact CE1-CG 3.74Å; Y200-Q202 PolarHBondContact OH-NE2 3.21Å; Y200-Q202 VanDerWaalsContact OH-NE2 3.1Å
201Q31.6Very low35Very low202 Ų202123.4 Ų123.494%0.94470%0.695SS**  trans-122123.1154.1-80.7-161.3-9.300108.9
202Q31.6Very low34.1Very low120 Ų120125.8 Ų125.856%0.56171%0.709SS**  trans-112.3124.6168.2-75-176.8-29.400108.6Y200 F204Y200-Q202 HydrophobicContact CD1-CG 4.26Å; Y200-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y200-Q202 HydrophobicContact CE1-CG 3.74Å; Y200-Q202 PolarHBondContact OH-NE2 3.21Å; Y200-Q202 VanDerWaalsContact OH-NE2 3.1Å; Q202-F204 HydrophobicContact CB-CD2 4.47Å; Q202-F204 PolarHBondContact O-N 3.13Å
203S32.5Very low33.1Very low124 Ų124128.5 Ų128.587%0.86772%0.724SS**  trans-84.599.716639.70000109.7
204F28.9Very low32.4Very low166 Ų166130.5 Ų130.573%0.72873%0.734SS**  trans-86.8122.9167-102.3-86.9000110Q202Q202-F204 HydrophobicContact CB-CD2 4.47Å; Q202-F204 PolarHBondContact O-N 3.13Å
205I32Very low31.8Very low164 Ų164134.8 Ų134.884%0.84175%0.748SS**  trans-125.1134.4159.2-62-178.4000108.1
206S29.8Very low31.5Very low91 Ų91133.8 Ų133.864%0.63675%0.752SS**  trans-124.2172.9175.9-66.60000107
207P35Very low31.5Very low103 Ų103132.8 Ų132.867%0.66975%0.753SS**  cis-145.4169.518.144.7-25.8000118
208T29.1Very low31.6Very low113 Ų113133.6 Ų133.669%0.69376%0.758SS**  trans38.6145.6140.961.80000123.9
209T29.6Very low32Very low127 Ų127133.6 Ų133.678%0.77976%0.76SS**  trans77.1147.1160.878.30000116.6
210T26.5Very low32.3Very low121 Ų121130.1 Ų130.174%0.74276%0.755SS**  cis-164163.2-2019.10000109.9
211V29.3Very low32.8Very low123 Ų123125.3 Ų125.375%0.74575%0.749SS**  trans71.796.8149.1167.90000119.3
212S28.1Very low33.1Very low103 Ų103124 Ų12472%0.7274%0.743SS**  74.5145.1118.7-50.10000125
213S28.7Very low33.4Very low106 Ų106126.2 Ų126.274%0.74175%0.753SS**  trans91.7132.9146.5-53.60000120.6
214S30.4Very low33.4Very low105 Ų105125.7 Ų125.773%0.73475%0.748SS**  trans60.3143.6151.242.20000119.5
215E33.4Very low33.8Very low189 Ų189124.6 Ų124.688%0.88376%0.755SS**  cis-157.2-172.9-2.8-122.8161.9-154.600112.5
216V36.7Very low33.8Very low131 Ų131123.5 Ų123.579%0.79475%0.751SS**  trans-138.3128.7-156.8166.60000112.1
217P38.5Very low34Very low125 Ų125125.9 Ų125.981%0.81276%0.755SS**  -151.4-178.1104.840.6-22.8000116.6
218C36.8Very low33.9Very low110 Ų110127.3 Ų127.374%0.74376%0.762SS**  trans-100.8-176.6169.3-49.20000111.9
219P41.6Very low34.4Very low116 Ų116127.4 Ų127.475%0.75376%0.764SS**  -125.2141.988.13.518.9000112.3
220S38.2Very low34.4Very low107 Ų107132.6 Ų132.675%0.74877%0.77SS**  64.7135.371.494.20000113.9
221S39.5Very low34.5Very low86 Ų86131.3 Ų131.360%0.60177%0.771SS**  cis-166.2158.821.963.50000115
222Q39.6Very low34.9Very low175 Ų175130 Ų13082%0.81877%0.773SS**  trans69.5150.2156.1-65.2170.114.600118
223H37Very low35.1Very low166 Ų166137 Ų13777%0.76978%0.784SS**  cis-143.1157.1-3.2-146.5-80.3000111.8
224C32.5Very low35.3Very low113 Ų113135.4 Ų135.476%0.76478%0.784SS**  trans-98158.9175.3-61.10000112.8
225V37.7Very low35.3Very low143 Ų143139.6 Ų139.687%0.86779%0.789SS**  trans168.8142.3145.9142.80000109.6
226D31.5Very low35.2Very low140 Ų140137 Ų13775%0.74979%0.786SS**  cis-169.7179-22.8-167.914.8000110.1
227I35.1Very low34.9Very low142 Ų142135.3 Ų135.373%0.72878%0.781SS**  trans84.5124.5161-53.4-179.5000117.9
228T31.2Very low34.4Very low132 Ų132134 Ų13481%0.8178%0.775SS**  trans-122.6-134.7170.244.80000112
229P39.6Very low34.1Very low116 Ų116140.1 Ų140.175%0.75378%0.782SS**  -122.3-165.6-125.937.4-17.1000115.2
230R29.6Very low33.4Very low236 Ų236138.7 Ų138.789%0.89178%0.775SS**  126.6110.3128.7-160.9173.2-166.3160.63.2119.3
231A30.2Very low33.1Very low94 Ų94138.6 Ų138.678%0.77777%0.774SS**  trans63.6122.3136.700000125.3
232A36.8Very low32.6Very low94 Ų94143.2 Ų143.278%0.77778%0.784SS**  trans-157.8134.9130.700000107.3
233R31.7Very low32.2Very low252 Ų252140.3 Ų140.395%0.95178%0.778SS**  cis78.9117.942.7-75.8-167.3172.8-173.3-0.6115
234G34.5Very low32Very low72 Ų72141.2 Ų141.274%0.74278%0.779SS**  trans128.695.2-177.600000110.4
235F29.2Very low31.7Very low193 Ų193146.6 Ų146.685%0.84678%0.784SS**  cis82122.425.5-125.6-53.1000114.4
236T31.1Very low31.5Very low134 Ų134145.2 Ų145.282%0.82278%0.777SS**  trans69161.5175.681.20000115.3
237S31.4Very low31.3Very low96 Ų96142.6 Ų142.667%0.67177%0.77SS**  cis-152.6142.9-9.2133.20000110.7
238S28Very low31.1Very low98 Ų98145.5 Ų145.569%0.68577%0.773SS**  trans19.8155.4137.5-44.80000123.1
239R30.5Very low31Very low237 Ų237146.9 Ų146.989%0.89477%0.771SS**  trans72152.8157.9-74.2174.7175.7174.7-2.6116.1
240S27.5Very low30.3Very low87 Ų87150 Ų15061%0.60877%0.772SS**  cis173.6163-25.654.20000106.5
241S30.9Very low30.3Very low104 Ų104144.5 Ų144.573%0.72777%0.77SS**  trans69159.9168.791.40000113.7
242F29Very low30Very low184 Ų184149.1 Ų149.181%0.80777%0.773SS**  cis-164.4165.4-10-131.2-147.8000106.2
243V31.3Very low30.1Very low114 Ų114149.1 Ų149.169%0.69177%0.766SS**  trans67.8136.9152.4158.10000115.7
244K32Very low29.8Very low185 Ų185144.7 Ų144.780%0.80476%0.761SS**  cis-155.4157.97.1-126.3165.6-154.9168.60109.3
245R27.1Very low29.6Very low226 Ų226144.4 Ų144.485%0.85376%0.757SS**  trans-89.6150.7148.6-70.5-177.2174.1-173.7-2.1108.4
246P34.5Very low29.7Very low113 Ų113142.6 Ų142.673%0.73476%0.762SS**  -129.7172.28810.813.1000111.8
247S26.8Very low29.8Very low85 Ų85139.4 Ų139.459%0.59476%0.756SS**  cis87.6140.225.1-490000115.6
248Y29.9Very low29.9Very low204 Ų204139.2 Ų139.280%0.875%0.754SS**  trans72.4149.1176.5-55.2-78.3000115.7
249Q29.3Very low29.9Very low161 Ų161140.5 Ų140.575%0.75275%0.754SS**  cis-154.7-179.4-12.7-139.8160.4-1900112
250F24.2Very low30.1Very low180 Ų180137.7 Ų137.779%0.78975%0.748SS**  trans-37.6146.6169.8-78.4-127.2000116.5
251S30.5Very low30.1Very low122 Ų122142.7 Ų142.785%0.85375%0.753SS**  -173.8148.1121.4-81.10000114.7
252F25Very low29.9Very low190 Ų190147.3 Ų147.383%0.83376%0.755SS**  trans-96-173.7163.4-77-90.6000109.1
253P37Very low29.9Very low95 Ų95142.8 Ų142.862%0.61775%0.746SS**  cis-128.8-158.1-4733.6-13.9000111.1
254N26.7Very low29.9Very low159 Ų159144.5 Ų144.585%0.8575%0.751SS**  trans73.3140.8156.8-61.4-16.9000120.1
255G29.3Very low29.7Very low65 Ų65145 Ų14567%0.6775%0.754SS**  trans142.6119.9133.700000117.2
256V32.3Very low30Very low155 Ų155138.9 Ų138.994%0.93974%0.743SS**  trans65.5138.3158.3-163.60000115.2
257G32.6Very low29.6Very low67 Ų67141.8 Ų141.869%0.69175%0.747SS**  cis158.71730.900000108.6
258S34.4Very low29.7Very low92 Ų92142.7 Ų142.764%0.64375%0.749SS**  cis-173.1152.4-9.8660000110
259N28.3Very low29.5Very low126 Ų126138.6 Ų138.667%0.67474%0.741SS**  trans64.1151160.1-62.9-63.4000117.3
260K33.3Very low29.4Very low178 Ų178138.5 Ų138.577%0.77474%0.74SS**  cis-137.5149.411.2-107.8131.7176.5-174.70108
261R27.4Very low29.6Very low191 Ų191135.2 Ų135.272%0.72174%0.735SS**  52.7139.583.4-52.2-170.6-172.5-161.21113.3
262R27.3Very low29.4Very low202 Ų202137.2 Ų137.276%0.76273%0.731SS**  cis-168.3179.97.6-133.6-177.1-177.7-172.8-3.7109.4
263S28.1Very low29.4Very low88 Ų88132.6 Ų132.662%0.61572%0.722SS**  trans62139.6142.8560000121.4
264D31.9Very low28.9Very low150 Ų150135.4 Ų135.480%0.80273%0.727SS**  cis-158.8155.5-14.3-92.6-34.6000108.7
265F28.6Very low28.9Very low196 Ų196132.7 Ų132.786%0.8671%0.711SS**  trans-79.2149.3160.8-94.2-95.4000109.3
266P32.1Very low28.7Very low98 Ų98133.2 Ų133.264%0.63670%0.698SS**  -119.6163.396.5-3.725.6000112.8
267E26.4Very low28.5Very low174 Ų174128.2 Ų128.281%0.81367%0.665SS**  68.1144.658.7-131.1175.5-162.800110
268V28.5Very low28.3Very low104 Ų104130.5 Ų130.563%0.6366%0.662SS**  cis-160.4144.342.9179.80000110.4
269N26.6Very low28Very low118 Ų118130.9 Ų130.963%0.63166%0.657SS**  trans62.5139.2158.4-70.120.1000121.2
270E26.8Very low28Very low158 Ų158128.2 Ų128.274%0.73866%0.659SS**  54.9136.376.3-42.1172.3145.400112.8
271T27.9Very low27.8Very low112 Ų112127.4 Ų127.469%0.68766%0.657SS**  cis-154.3-178.138.646.60000112.1
272H26.5Very low27.7Very low164 Ų164121.5 Ų121.576%0.75965%0.646SS**  trans15.7142.4136.2-64.7-131.6000118.6
273S25.8Very low27.6Very low93 Ų93121.7 Ų121.765%0.6565%0.648SS**  cis-159.3148.414.3-00000107.8
274Q27.3Very low27.6Very low154 Ų154124 Ų12472%0.7265%0.649SS**  66.2146.269.7-142.5-17112.100112.9
275I25Very low27.3Very low101 Ų101123.2 Ų123.252%0.51864%0.64SS.*  trans78.4132.6157-76.4151.6000115.7T993 E994I275-T993 CarbonylContact C-O 3Å; I275-T993 VanDerWaalsContact CA-O 3.32Å; I275-T993 WeakPolarHBondContact CA-O 3.34Å; I275-T993 PolarHBondContact N-O 2.89Å; I275-E994 PolarHBondContact O-N 3.33Å
276I25.5Very low27.1Very low77 Ų77122 Ų12240%0.39564%0.635SS.*  cis-166.5156.4-5-121.2178.2000111.3T993I276-T993 PolarHBondContact N-O 3.37Å
277I27.7Very low26.9Very low49 Ų49121 Ų12125%0.25163%0.634SS.*  trans22.6139.7146.4-32.7147.7000117.7N279 Y992I277-N279 VanDerWaalsContact CG2-OD1 3.27Å; I277-N279 WeakPolarHBondContact CG2-OD1 3.47Å; I277-Y992 HydrophobicContact CB-CD2 4.1Å; I277-Y992 HydrophobicContact CB-CE2 3.86Å; I277-Y992 HydrophobicContact CG1-CD2 3.45Å; I277-Y992 VanDerWaalsContact CG1-CD2 3.45Å; I277-Y992 HydrophobicContact CG1-CE2 3.61Å; I277-Y992 HydrophobicContact CG1-CG 4.2Å; I277-Y992 HydrophobicContact CG2-CD2 4.31Å; I277-Y992 HydrophobicContact CG2-CE2 3.6Å
278N28.3Very low26.9Very low115 Ų115118.9 Ų118.962%0.61563%0.633SS**  174.2152.386.1-77-86.8000108.3
279N29.7Very low26.8Very low101 Ų101119.5 Ų119.554%0.5464%0.637SS.*  cis-155.9151.5-15.5-98.3-18.8000106.4I277I277-N279 VanDerWaalsContact CG2-OD1 3.27Å; I277-N279 WeakPolarHBondContact CG2-OD1 3.47Å
280G28.4Very low26.9Very low69 Ų69119.1 Ų119.171%0.71164%0.635SS**  8416787.200000111
281H28.4Very low27Very low161 Ų161119 Ų11975%0.74563%0.632SS**  cis-157.4153.6-8-102.9-84.5000104.6
282S25.9Very low27.3Very low68 Ų68119.7 Ų119.748%0.47663%0.631SS.*  cis161131.1-16.553.80000104.9
283Y25.2Very low27.5Very low206 Ų206119 Ų11981%0.80863%0.633SS**  trans65.6-179.3161.6-59.7-150.6000112
284H27.2Very low27.6Very low137 Ų137118.7 Ų118.763%0.63463%0.629SS**  cis-122.41562.8-94.6-91.3000109
285E25.4Very low27.6Very low132 Ų132119 Ų11962%0.61763%0.634SS**  55.6140.484.4-115.3174.2-162.400112.1
286F25.3Very low27.8Very low172 Ų172119 Ų11975%0.75464%0.641SS**  cis-161.6173.935.5-124.3-58.6000111.6
287A26.4Very low28.1Very low76 Ų76119.8 Ų119.863%0.62865%0.653SS**  trans69125.8149.700000118.4
288V26.8Very low28.1Very low129 Ų129122.9 Ų122.978%0.78268%0.677SS**  cis71.912548.6176.40000111.9
289T27.1Very low27.9Very low117 Ų117122.4 Ų122.472%0.71868%0.682SS**  trans153.766.6177.770.90000115
290D27.9Very low27.8Very low110 Ų110122.4 Ų122.459%0.58869%0.69SS**  trans29.2146.2133-92.6-25.9000122.4
291K29.8Very low27.6Very low157 Ų157128.3 Ų128.368%0.68370%0.697SS**  trans68.5149.2139.1-67.9167.7-171.9130.20117.8
292D32.8Very low27.3Very low125 Ų125125.3 Ų125.367%0.66869%0.694SS**  cis-134.3164.6-19.7-90.6-46.2000104.8
293L31Very low27.4Very low151 Ų151127.5 Ų127.579%0.79171%0.709SS**  49.2158.859.3-94.978.7000113.3
294P28.9Very low27.4Very low86 Ų86122.6 Ų122.656%0.55870%0.704SS**  cis-140.7170.8-26.238.7-22.8000114.8
295L27.5Very low27.3Very low159 Ų159123.4 Ų123.483%0.83271%0.713SS**  trans63.9179.4144.7-73.7161.9000117.6
296P28.4Very low27.4Very low101 Ų101122.9 Ų122.966%0.65672%0.719SS**  cis-128.3177.3-39.430.7-13.9000114.5
297S31.4Very low27.6Very low94 Ų94119.7 Ų119.766%0.65772%0.718SS**  trans-47.8155.1157.755.80000115.2
298P29.1Very low27.7Very low115 Ų115119.8 Ų119.875%0.74772%0.718SS**  -114.5150.798.6-7.726.8000111.5
299S24.2Very low27.8Very low104 Ų104120.4 Ų120.473%0.72772%0.717SS**  cis78.874.127.789.50000116.1
300S26.3Very low27.9Very low101 Ų101122.1 Ų122.171%0.70672%0.721SS**  trans-154.4131.1160.239.10000108.7
301F23.8Very low27.9Very low194 Ų194121.7 Ų121.785%0.85173%0.725SS**  47.412984.2-66.6-72.7000113.2
302S23.4Very low28.4Very low98 Ų98121.4 Ų121.469%0.68573%0.731SS**  cis163.1100.9-16.343.80000105.3
303S27.6Very low28.6Very low114 Ų114119.5 Ų119.580%0.79773%0.726SS**  trans-159.6110.8168.238.70000106.9
304S24.3Very low28.6Very low102 Ų102119.5 Ų119.571%0.71372%0.721SS**  cis61.6127.719.1-155.20000113.6
305L26.1Very low28.5Very low154 Ų154121.5 Ų121.581%0.80673%0.727SS**  trans67.9146.3-174.3-46.9172.1000112.2
306T27.3Very low28.6Very low121 Ų121120.1 Ų120.174%0.74272%0.72SS**  cis-172.7153.4-5.917.10000105.4
307S28.9Very low28.5Very low105 Ų105120.1 Ų120.173%0.73472%0.723SS**  cis-152.5173.32.4-76.50000106.8
308A28.6Very low28.1Very low78 Ų78121.3 Ų121.365%0.64573%0.73SS**  cis-141.8142.35.700000108.3
309L29.5Very low28.8Very low142 Ų142121.4 Ų121.474%0.74373%0.731SS**  55.7120.890.5-55175.5000113
310L29.4Very low29.2Very low153 Ų153121.5 Ų121.580%0.80173%0.728SS**  cis-136.1133.814.5-80.9100.7000115.5
311C27.9Very low29.2Very low101 Ų101123.1 Ų123.168%0.68273%0.729SS**  51.194.2125.8-54.90000122
312N40.5Very low29.3Very low152 Ų152120.1 Ų120.181%0.81372%0.721SS**  -49.9147.7115.8-160.818.3000109.5
313P37.1Very low29.5Very low85 Ų85124.2 Ų124.255%0.55273%0.733SS**  -158.1-17583.235.8-11.7000117.1
314Q29.8Very low29.6Very low150 Ų150121.7 Ų121.770%0.70173%0.725SS**  trans75.8137.4164-35.1-58.9-18.700116.9
315L27.5Very low29.8Very low129 Ų129122.7 Ų122.768%0.67573%0.732SS**  cis-164.2172-21.5-121.4178.8000109.3
316N28.8Very low29.9Very low129 Ų129121.1 Ų121.169%0.6973%0.729SS**  trans63.6110152-71.8-22.4000121.1
317S26.8Very low29.9Very low101 Ų101121 Ų12171%0.70673%0.733SS**  66.9115.7125.269.50000121.7
318C24.1Very low29.7Very low120 Ų120120.4 Ų120.481%0.81173%0.729SS**  trans74.8147.8146.3-60.60000118.6
319P42.7Very low29.5Very low117 Ų117122.2 Ų122.276%0.7674%0.735SS**  trans-69.1161.6170.933.7-37.7000110.4
320P31.7Very low29.3Very low105 Ų105121.1 Ų121.168%0.68274%0.735SS**  cis-148.3-167.53538-14.8000116.7
321N26.7Very low29.2Very low135 Ų135124 Ų12472%0.72274%0.735SS**  trans76.1139.5136.6-86.7-10000123.8
322I27.1Very low29.1Very low132 Ų132126.9 Ų126.968%0.67774%0.738SS**  trans64.399.6144.3-55.8158.2000118.2
323I27.6Very low28.4Very low183 Ų183125 Ų12594%0.93873%0.728SS**  -148.8132.6111.7-44.1179000106.2
324G29.3Very low28.2Very low62 Ų62127.7 Ų127.764%0.63974%0.737SS**SBendcis-158152.5-15.500000106.2
325S28.3Very low28.1Very low123 Ų123128.2 Ų128.286%0.8674%0.739SS**  -141.5150.16342.30000113
326V28.9Very low28.2Very low121 Ų121126.3 Ų126.373%0.73374%0.737SS**  trans-81.6128.5-174.9-176.70000110.8S328V326-S328 PolarHBondContact O-N 3.16Å
327S25.8Very low28.1Very low117 Ų117127.7 Ų127.782%0.81874%0.739SS**  trans-74103.3173.3570000112.2
328S25.8Very low28.4Very low93 Ų93129.6 Ų129.665%0.6574%0.741SS**  trans-166.4119.6160.656.30000114.3V326V326-S328 PolarHBondContact O-N 3.16Å
329C24Very low28.6Very low116 Ų116129.3 Ų129.378%0.78473%0.732SS**  trans51159.4135.6-640000122.6
330T26.6Very low27.9Very low120 Ų120134.2 Ų134.274%0.73674%0.737SS**  trans61.9105.8160.840.60000116.5
331R25.3Very low27.6Very low212 Ų212132.5 Ų132.580%0.873%0.732SS**  77.3142.772.9-82.8-169-178.4163.10.1112.9
332H26.9Very low27.6Very low162 Ų162131.7 Ų131.775%0.7573%0.732SS**  trans69.1145.3168.9-65.4-62000115.2
333N26.7Very low27.6Very low113 Ų113132.3 Ų132.360%0.60474%0.735SS**  cis-160.8-165.1-23.9-164.715.6000106.7
334L32.7Very low27.5Very low141 Ų141133.6 Ų133.674%0.73873%0.728SS**  trans77.8120.2172-45.5172.9000110.5
335Q27.6Very low27.7Very low161 Ų161135 Ų13575%0.75273%0.728SS**  cis61.6136.241-43.8168.2-84.300111
336S28.2Very low27.7Very low89 Ų89134.9 Ų134.962%0.62272%0.718SS**  cis-129.116910.1610000112.6N338S336-N338 PolarHBondContact O-N 3.3Å
337E26.8Very low27.9Very low158 Ų158133.8 Ų133.874%0.73872%0.715SS**  -1118.4129.7-53.715714200114.7
338N33.8Very low28.3Very low141 Ų141135.4 Ų135.475%0.75471%0.71SS**  -153.9121.4110.7-87.9-46.7000107.9S336S336-N338 PolarHBondContact O-N 3.3Å
339N27.5Very low28.7Very low114 Ų114137.3 Ų137.361%0.6171%0.713SS**  80125.163.3-84.8-43.8000113.1
340Y28.5Very low28.9Very low220 Ų220137.4 Ų137.486%0.86371%0.71SS**  trans68154.2163.5-73.6-131.7000116.6
341A26.5Very low29.2Very low70 Ų70139.7 Ų139.758%0.57972%0.716SS**  cis172168.9-36.600000108
342T25.9Very low29.3Very low117 Ų117136.2 Ų136.272%0.71871%0.713SS**  trans68.1132.9146.436.90000121.7
343I27.2Very low29.4Very low146 Ų146134.3 Ų134.375%0.74972%0.717SS**  trans80112.1143.9-67.2164.2000115.4
344R25.3Very low29.6Very low209 Ų209134.3 Ų134.379%0.78973%0.726SS**  72.8137.782.9-117.6179.5174.1136.31.7111.5D346R344-D346 IonicContact NE-OD2 3.67Å
345S33.3Very low29.7Very low91 Ų91132.6 Ų132.664%0.63672%0.723SS**  cis-147.5152.243.4-89.60000112.8
346D29.1Very low29.8Very low122 Ų122130.5 Ų130.565%0.65272%0.721SS**  54.8136.989.5-36-59.3000113.1R344R344-D346 IonicContact NE-OD2 3.67Å
347S32.6Very low29.8Very low97 Ų97133.9 Ų133.968%0.67873%0.727SS**  cis-125.6-149.19.347.10000110.8
348E34.5Very low29.9Very low151 Ų151135.2 Ų135.271%0.70673%0.733SS**  cis-166.5-179.14.4-143.6160.7-85.700113.2
349N33.7Very low29.7Very low133 Ų133132.9 Ų132.971%0.71173%0.728SS**  trans58.867.2153.6-63.3-36.7000121.1
350T28.2Very low29.8Very low118 Ų118131.8 Ų131.872%0.72473%0.729SS**  trans-53.6152143.651.90000114.7
351I33.4Very low29.9Very low169 Ų169128 Ų12887%0.86772%0.724SS**  trans-138137.1138.5-68.4-168.8000109.1
352N27.1Very low30Very low138 Ų138128.5 Ų128.574%0.73872%0.723SS**  trans-89.2173.9179.7-82.2-25.1000111
353C29.6Very low29.9Very low123 Ų123130.3 Ų130.383%0.83173%0.727SS**  cis-161.2156.248.7-63.90000115
354S31.2Very low29.9Very low112 Ų112128.9 Ų128.978%0.78373%0.725SS**  trans-86.8-153.6158-36.20000109.4
355P34.8Very low29.9Very low106 Ų106124.4 Ų124.469%0.68872%0.721SS**  cis-144.9-160.917.143.8-21.2000116.3
356V27.8Very low29.5Very low116 Ų116125.1 Ų125.170%0.70373%0.726SS**  trans78138.6155.9166.70000119.9
357E28.9Very low29.3Very low160 Ų160123.5 Ų123.575%0.74873%0.73SS**  cis144.7161.4-24.3-75.9144.2-12000109.5
358E29.3Very low29Very low186 Ų186125 Ų12587%0.86973%0.734SS**  cis-148.4-59.918-169.9-176.1169.300116
359S29.9Very low28.6Very low93 Ų93124.2 Ų124.265%0.6574%0.74SS**  trans-154.3170-157.159.20000112.6
360S30Very low28.4Very low91 Ų91123.1 Ų123.164%0.63674%0.742SS**  cis-168.4-176.9-13.350.40000110.2
361D30.6Very low28.4Very low139 Ų139125.1 Ų125.174%0.74375%0.749SS**  trans71.6167.5156-70.2-66.3000121.4
362S27.1Very low28Very low81 Ų81122.1 Ų122.157%0.56675%0.749SS**  -167.1168.9-66.251.30000112.3
363I24.9Very low27.9Very low155 Ų155119.7 Ų119.780%0.79575%0.749SS**  trans73.1160.2163.1-25.6-178.8000118.9
364V26.8Very low28Very low117 Ų117121 Ų12171%0.70975%0.747SS**  trans98.572.2156.8-161.40000119.8
365T26.1Very low27.8Very low115 Ų115123.1 Ų123.171%0.70675%0.749SS**  44.8125124.964.50000124.1
366S24.3Very low27.4Very low106 Ų106124.1 Ų124.174%0.74175%0.747SS**  71.5140.2123.772.60000123.3
367A25.2Very low27.4Very low88 Ų88126.9 Ų126.973%0.72775%0.752SS**  trans68.8146.2151.600000116.6
368T25.1Very low27.3Very low127 Ų127129.9 Ų129.978%0.77976%0.757SS**  cis-163.7171.2-5.512.40000107.9
369V26.9Very low27.1Very low136 Ų136126.9 Ų126.982%0.82475%0.751SS**  trans61.2158.3174.9-108.70000113.9
370S29.2Very low26.9Very low109 Ų109128.1 Ų128.176%0.76276%0.755SS**  cis-135.9158.93.6-82.50000113.1
371N27.6Very low26.9Very low160 Ų160130.8 Ų130.886%0.85677%0.767SS**  trans-72.1170.6165.5-59.8-44.1000112.4
372A25.8Very low26.7Very low106 Ų106132 Ų13288%0.87677%0.768SS**  trans78.483.9152.100000119.5
373A26.2Very low26.7Very low88 Ų88135.6 Ų135.673%0.72778%0.776SS**  trans-159.2132.813900000107.3
374D29.9Very low26.8Very low149 Ų149133.8 Ų133.880%0.79777%0.767SS**  cis-132.2147.4-9.3-92.5-49.2000111.3
375L27.3Very low27Very low158 Ų158134.9 Ų134.983%0.82777%0.769SS**  trans-144.455.2-179.7-152.5167.3000110.4
376I25.8Very low27Very low127 Ų127136 Ų13665%0.65177%0.77SS**  trans-130.9100.2170.5-61.491.6000109.9
377H29.2Very low27.2Very low174 Ų174138.4 Ų138.481%0.80677%0.773SS**SBend-155.132.4126.3-128.9-69.8000113.3
378R26.6Very low27.5Very low222 Ų222139.8 Ų139.884%0.83877%0.773SS**SBendtrans-122123.8169.6-166.9175-174.1175.32.4107.2
379T25.7Very low27.6Very low123 Ų123139.8 Ų139.876%0.75577%0.773SS**SBendtrans77.4152.5-165.273.90000115.3
380V24.9Very low27.7Very low120 Ų120139.2 Ų139.273%0.72777%0.77SS**  trans68.774.5-175.4-161.90000116.6
381V29.1Very low27.6Very low146 Ų146141.8 Ų141.889%0.88577%0.77SS**  -140.175.9120.1-173.80000107.5
382E26.1Very low27.7Very low165 Ų165140 Ų14077%0.77176%0.76SS**SBendtrans-144.9110.7170.7-173.3178.2-143.200106.4
383Q28Very low27.8Very low156 Ų156140.6 Ų140.673%0.72976%0.758SS**SBendtrans62.8148.3-162.9-35.2-64.5-59.900112.5
384L27.4Very low28.2Very low117 Ų117140.1 Ų140.161%0.61375%0.747SS**  cis-148.8142.6-13.3-148.465.1000104.5L386L384-L386 HydrophobicContact CD2-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CG 4.38Å; L384-L386 HydrophobicContact CG-CD1 3.96Å; L384-L386 HydrophobicContact CG-CG 4.15Å
385D30.4Very low28.2Very low140 Ų140141.3 Ų141.375%0.74975%0.748SS**  -162.4131.383.5-83.3-30.3000108.8
386L27.1Very low28.2Very low138 Ų138139.5 Ų139.572%0.72374%0.739SS**  62.875.172.6-72.1174.7000114.7L384L384-L386 HydrophobicContact CD2-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CG 4.38Å; L384-L386 HydrophobicContact CG-CD1 3.96Å; L384-L386 HydrophobicContact CG-CG 4.15Å
387L28.7Very low28.3Very low157 Ų157140 Ų14082%0.82274%0.741SS**  trans-147.6123.5135-108.3175.3000112.2
388T31.5Very low28.3Very low117 Ų117137.6 Ų137.672%0.71874%0.735SS**  trans46.996.2158.4490000119.8
389T25.8Very low28.6Very low128 Ų128133.5 Ų133.579%0.78573%0.725SS**  -18.8141128.151.70000116.6
390V29.2Very low28.8Very low124 Ų124133.2 Ų133.275%0.75272%0.719SS**  170.8106.8121.4153.30000111
391Q26.8Very low29Very low162 Ų162133.9 Ų133.976%0.75772%0.718SS**  trans47.1148.3130.9-104.5175.6-29.700124.5
392N29.6Very low29.1Very low122 Ų122134 Ų13465%0.65271%0.714SS**  trans86.387.7147.3-59.4-19.8000121.4
393S28.8Very low29.3Very low119 Ų119132.6 Ų132.683%0.83271%0.711SS**  64.8154.6119.1-69.70000122.6
394P35.3Very low29.4Very low78 Ų78132 Ų13251%0.50671%0.712SS.*  trans-111.4163.5-160.141-32.4000114.8
395H29.2Very low29.3Very low175 Ų175131.1 Ų131.181%0.8172%0.716SS**  trans-154.5141.2149-110.3-73.4000112.7
396N27.2Very low29.1Very low119 Ų119133.8 Ų133.864%0.63672%0.721SS**  trans60.6131.5159.3-69.626.1000118.4
397I27.9Very low29.1Very low137 Ų137132.4 Ų132.470%0.70372%0.718SS**  69.5116.859.5-62.6168.8000108.4
398D29.8Very low28.9Very low125 Ų125135.7 Ų135.767%0.66872%0.722SS**  cis-154.6163.241.7-136.1-16000119.7
399H32.1Very low28.8Very low135 Ų135135.9 Ų135.963%0.62572%0.722SS**  trans42.4127.8146-83.8-45.7000126.3
400N29.6Very low28.8Very low118 Ų118136.9 Ų136.963%0.63173%0.728SS**  trans66.9152.3130.5-57.5-12.8000120
401N30.2Very low28.7Very low134 Ų134136.9 Ų136.972%0.71772%0.724SS**  cis-170.8138.2-23.5-101.8-16.1000105
402D30.5Very low28.8Very low149 Ų149135.5 Ų135.580%0.79773%0.731SS**  175.8160.2127-115.9-22.4000117.8
403L31.3Very low28.7Very low135 Ų135136.5 Ų136.571%0.70774%0.736SS**  trans69.5105.4151.8-65.4161.3000122.7
404L28.3Very low28.9Very low143 Ų143136.8 Ų136.875%0.74973%0.733SS**  57.8108.5129-58.1175.5000120.8
405S25.5Very low28.5Very low99 Ų99137.5 Ų137.569%0.69275%0.746SS**  176.1142.293.946.80000112.7
406F27.4Very low28.6Very low195 Ų195134.4 Ų134.486%0.85574%0.741SS**  trans-151157.8157.6-114.2-77000111.8
407T25.7Very low28.5Very low109 Ų109136.1 Ų136.167%0.66975%0.749SS**  trans-106.6-175.2-173.4470000112.2
408Y25Very low28.4Very low227 Ų227134.9 Ų134.989%0.8975%0.747SS**  trans80.8171.1169.1-83.9-84.2000119.4
409V29.5Very low28.3Very low121 Ų121136.7 Ų136.773%0.73375%0.752SS**  trans7675.3-178-165.60000115.4N411V409-N411 HydrophobicContact CG1-CB 3.86Å; V409-N411 PolarHBondContact O-N 3.38Å
410T25.1Very low28.1Very low148 Ų148134.9 Ų134.991%0.90875%0.754SS**  trans-69.2113.5148.848.30000109.3
411N27.7Very low28Very low124 Ų124135.7 Ų135.766%0.66376%0.758SS**  trans-142.188.6174.8-159.89.7000110.9V409V409-N411 HydrophobicContact CG1-CB 3.86Å; V409-N411 PolarHBondContact O-N 3.38Å
412C28.6Very low28Very low133 Ų133135.4 Ų135.490%0.89976%0.757SS**  trans-132.655.5-177.8-720000112.4
413N28.5Very low27.9Very low143 Ų143134.2 Ų134.277%0.76575%0.75SS**  trans-83.1139.6135.9-63.9-52.2000105.2
414T31.8Very low27.9Very low126 Ų126134.1 Ų134.177%0.77375%0.751SS**  cis-154153.531.947.90000113.9
415A27.2Very low27.9Very low93 Ų93135.5 Ų135.577%0.76976%0.759SS**  trans73.2157146.600000120.2
416P32.6Very low28Very low110 Ų110139.2 Ų139.271%0.71477%0.765SS**  trans-109.4-152.6-175.840-25.2000112
417I24.9Very low28.1Very low155 Ų155135 Ų13580%0.79576%0.76SS**  trans86.6132.9175.4-56163.4000112.6
418V26Very low28.3Very low110 Ų110138.1 Ų138.167%0.66777%0.769SS**  cis-164.7179.1-22.891.40000108.3
419E26.5Very low28.5Very low164 Ų164135.2 Ų135.277%0.76677%0.769SS**  trans58.7109.5169.7-79.4146-141.800117.1
420S28.4Very low28.5Very low96 Ų96139.1 Ų139.167%0.67178%0.776SS**  68.8110.960.182.90000115.7
421N28.2Very low28.6Very low135 Ų135136.5 Ų136.572%0.72276%0.764SS**  trans-179.1130.4132.4-97.4-58.5000107.8
422N29.2Very low28.7Very low128 Ų128137.2 Ų137.268%0.68477%0.766SS**  55.8125.492-72.6-22.7000112.3
423N29.1Very low29Very low125 Ų125138.1 Ų138.167%0.66876%0.762SS**  cis-162.3169.235.4-105.9-21.8000113.6
424N30.8Very low29Very low133 Ų133138.6 Ų138.671%0.71177%0.765SS**  trans53.2121.9149.2-56.2-3.7000120.5
425N27.5Very low29.3Very low172 Ų172137 Ų13792%0.9276%0.756SS**  trans-132.563.5150-103.1-23.4000109.6
426E29.1Very low29.7Very low177 Ų177139.6 Ų139.683%0.82775%0.752SS**  trans-112.7160.6156.5-73.1-164.6135.800108.7
427S29.7Very low29.9Very low107 Ų107141.8 Ų141.875%0.74875%0.753SS**  trans67125-156.477.10000112.2
428M29.2Very low30.2Very low174 Ų174144.4 Ų144.486%0.85775%0.753SS**  cis60.594.343.3-58.1-179.5156.900113.2
429N28.1Very low30.7Very low166 Ų166145.2 Ų145.289%0.88875%0.749SS**  -178.591.2125.9-89.9-18.5000113.2
430K30.1Very low30.9Very low203 Ų203144.5 Ų144.588%0.88375%0.745SS**  trans-122.2140.8132.1-74.9-175.8177.9-177.90104.7
431S28.1Very low31.2Very low93 Ų93146.5 Ų146.565%0.6574%0.744SS**  cis-178-179.5-9.143.80000105.3
432I29.3Very low31.3Very low139 Ų139146.9 Ų146.971%0.71374%0.741SS**  trans76.393.2166.5-54.4161.5000114.2
433D34Very low31.5Very low152 Ų152148.2 Ų148.281%0.81374%0.743SS**  72.2134.6129.1-49.4-13.1000123.3
434D28.7Very low31.7Very low153 Ų153150.5 Ų150.582%0.81875%0.75SS**  trans-57.4174.8163-98.3-63.2000113.9
435P38.6Very low32.1Very low91 Ų91149.5 Ų149.559%0.59175%0.751SS**  cis-136.3-170.9-0.917.610000115.4
436H36Very low32.3Very low149 Ų149147.2 Ų147.269%0.6974%0.743SS**  trans107.3120.9147.4-69.8-71.4000122.1
437H37.2Very low32.4Very low156 Ų156144.8 Ų144.872%0.72273%0.734SS**  trans6290.6141.8-63.9-53.5000123
438R31.2Very low32.4Very low210 Ų210146.9 Ų146.979%0.79273%0.732SS**  38.9124.7108-89.2-175.4135.41560.4120.2
439H35.1Very low32.5Very low127 Ų127143.3 Ų143.359%0.58872%0.72SS**  trans75.2101.7137.8-64-51.1000120.8
440Q31.6Very low32.6Very low149 Ų149144.6 Ų144.670%0.69672%0.723SS**  81.5132.7118.4-79.3178.6-67.600122.3
441H33.9Very low32.8Very low137 Ų137138.5 Ų138.563%0.63472%0.718SS**  trans73114.8148.7-71.9-60.6000121.4
442Q31.8Very low33.1Very low144 Ų144139.1 Ų139.167%0.67372%0.722SS**  76.3120.8129.1-69.7171.7-15.200120.8
443Q32.8Very low33.2Very low156 Ų156139.1 Ų139.173%0.72972%0.724SS**  trans65.7144.4134.4-57.9169.515.900118
444Q32.4Very low33Very low172 Ų172138.7 Ų138.780%0.80472%0.721SS**  cis-153.5174.1-12.3-114.5-176.5600108.1
445P39Very low33.2Very low112 Ų112139.4 Ų139.473%0.72772%0.723SS**  trans-94.6-143-167.439.1-36.4000113.7
446V32.5Very low32.8Very low125 Ų125144 Ų14476%0.75873%0.734SS**  trans92.4129.4170.7178.10000114.6
447I30.4Very low32.6Very low125 Ų125144.1 Ų144.164%0.64174%0.739SS**  cis-175167.5-7.4-157.6167.9000113.1
448H31.2Very low32.1Very low151 Ų151141 Ų14170%0.69973%0.734SS**  trans64.6155.2155.3-78.3-53.3000121.4
449T31.1Very low32.2Very low100 Ų100139 Ų13961%0.61373%0.734SS**  cis-164.2160.1-39.94.80000111.4
450M29.5Very low31.9Very low192 Ų192138.6 Ų138.695%0.94674%0.741SS**  trans62.9139.8152.1-68.2176.5-172.100120.5
451G34.2Very low32.1Very low75 Ų75138.6 Ų138.677%0.77375%0.746SS**  trans167.6123.5169.300000110
452S34.6Very low32.2Very low107 Ų107137 Ų13775%0.74875%0.748SS**  trans-117.6149.2-165.3-55.10000114.3
453N31.5Very low32.4Very low139 Ų139138.6 Ų138.674%0.74376%0.755SS**  trans69.4132.9148.5-62.4-11.1000120.9
454N29.8Very low32.4Very low142 Ų142138.5 Ų138.576%0.75975%0.754SS**  trans62.5122.1146-55.5-18.7000119.5
455I33.8Very low32.3Very low168 Ų168138.2 Ų138.286%0.86275%0.752SS**  -167.1166.5102.9-97.3159.2000110.7
456K28.9Very low31.9Very low188 Ų188137.9 Ų137.982%0.81775%0.753SS**  trans-85.1-172.2-174.6-121.6176.3-178.9179.90112.5
457L31.7Very low31.8Very low152 Ų152136.9 Ų136.980%0.79675%0.751SS**  trans78.7124.1172.5-57.4113.5000113.6
458S27.5Very low31.8Very low89 Ų89136 Ų13662%0.62276%0.756SS**  cis108.6155.822.770.20000112.4
459Q33.1Very low31.7Very low169 Ų169134.8 Ų134.879%0.7976%0.759SS**  trans78.5103.4-177-67.4167.5-42.700113
460T29.8Very low31.6Very low118 Ų118136.6 Ų136.672%0.72476%0.764SS**  69.7118.483.559.10000111.6
461D33.8Very low31.7Very low150 Ų150132.6 Ų132.680%0.80275%0.752SS**  -160175.168.1-93.8-43.2000114.2
462P36.7Very low31.5Very low104 Ų104135.8 Ų135.868%0.67575%0.751SS**  trans-104.5164.3-165.139.3-35.3000115.6
463H36Very low31.4Very low177 Ų177138.7 Ų138.782%0.81975%0.751SS**  trans-161.2126.7139.3-109-68.2000114.6
464H33.1Very low31.4Very low153 Ų153139.2 Ų139.271%0.70875%0.754SS**  trans30.8128.7152.4-82.3-44.4000125.7
465Q29.6Very low31.5Very low166 Ų166137.5 Ų137.578%0.77675%0.75SS**  106.1145.7126-79.4171.120.600122
466S31Very low31.2Very low105 Ų105136.4 Ų136.473%0.73475%0.745SS**  trans72.669.6163.725.50000121.4
467S29.6Very low31.2Very low104 Ų104133.1 Ų133.173%0.72774%0.74SS**  61.5140.6114.2600000124.6
468S31Very low30.9Very low106 Ų106130.4 Ų130.474%0.74173%0.734SS**  trans63.3112.9162.643.90000117.6
469V30.4Very low30.9Very low127 Ų127131.2 Ų131.277%0.7774%0.739SS**  cis69.2119.943.1-169.10000110.6
470I28.2Very low30.7Very low137 Ų137131.8 Ų131.870%0.70374%0.739SS**  -150140.769.6-66.3155.9000113
471P32.1Very low30.7Very low109 Ų109131.6 Ų131.671%0.70873%0.733SS**  trans-114.5-178.1151.538.1-28.9000113.4
472N30.1Very low30.6Very low141 Ų141130 Ų13075%0.75473%0.725SS**  trans-111.2154.4-152.5-152.5-2.9000114.8
473K31.5Very low30.3Very low168 Ų168131.8 Ų131.873%0.7373%0.728SS**  trans59.6116.9158.4-73.3-176179.7-173.40120.7
474N31.2Very low30Very low151 Ų151130 Ų13081%0.80772%0.724SS**  164.5165.3102.2-96.4-6.5000112.5
475P33.3Very low29.9Very low106 Ų106126.2 Ų126.269%0.68872%0.715SS**  trans-101.8-172.5-168.339.3-34.3000114.8
476I27.7Very low30Very low145 Ų145125.5 Ų125.574%0.74472%0.717SS**  trans108.792.5163.3-62.2163.3000116.1
477T27.5Very low30Very low119 Ų119128.6 Ų128.673%0.7372%0.72SS**  trans65.8149.813962.90000124.3
478S26.7Very low30.3Very low94 Ų94128.3 Ų128.366%0.65772%0.716SS**  trans77.7101.7139.154.60000120.7
479C26.8Very low30.3Very low107 Ų107130.1 Ų130.172%0.72372%0.715SS**  91.5128.1119.4-67.80000120.5
480F28.3Very low30Very low180 Ų180130.1 Ų130.179%0.78972%0.716SS**  trans57.9132.9134.3-76.8-105.9000118.8
481N30.6Very low30.2Very low115 Ų115128.9 Ų128.962%0.61572%0.719SS**  cis-166.9-169.2-4.6-144.942000111.6
482D31.3Very low30.1Very low116 Ų116128.4 Ų128.462%0.6272%0.718SS**  trans81.2117.9147.9-63.4-31.4000121.2
483L29.7Very low30.2Very low141 Ų141128.4 Ų128.474%0.73872%0.717SS**  45.6127.6117.6-54.5169.1000116.9
484N30.8Very low30.5Very low139 Ų139126.4 Ų126.474%0.74372%0.721SS**  cis-174174.841.3-111.4-18000106.8
485S30.3Very low30.4Very low75 Ų75126.1 Ų126.152%0.52471%0.714SS.*  cis178.6151.4-9.749.30000107.1
486N31.6Very low30.2Very low151 Ų151125.9 Ų125.981%0.80771%0.714SS**  trans66.6152.4158.9-53.3-9.9000116.2
487E32.5Very low30.3Very low169 Ų169124.4 Ų124.479%0.7971%0.708SS**  cis-156.2-178.3-14.6-115.5-132.5119.300108.7
488P35.8Very low30.7Very low99 Ų99125.6 Ų125.664%0.64371%0.709SS**  trans-92.1-132.4-163.339.2-37.9000115.1
489I29.5Very low30.8Very low144 Ų144126.3 Ų126.374%0.73871%0.705SS**  trans84.390.6-178.9-51.1169.4000113.5
490T25.6Very low31.1Very low127 Ų127128.7 Ų128.778%0.77971%0.705SS**  66113.274.169.60000117.4
491S31Very low31Very low111 Ų111126.6 Ų126.678%0.77670%0.702SS**  trans-160.3105.9159.2-44.30000109.4
492S31.2Very low30.8Very low98 Ų98126.3 Ų126.369%0.68570%0.7SS**  62104.510367.70000115.6
493I31.8Very low30.6Very low142 Ų142128.8 Ų128.873%0.72871%0.708SS**  68.9114.169.6-62165.5000112.2
494P36.6Very low30.3Very low125 Ų125131.6 Ų131.681%0.81271%0.714SS**  -138.6156.4108.819.21.8000114.4
495H29.3Very low30Very low145 Ų145130.9 Ų130.967%0.67172%0.715SS**  cis-168.6173.3-20.6-138.6-87000110.7
496C30Very low29.8Very low102 Ų102132 Ų13269%0.68972%0.723SS**  trans76.2111164.3-62.20000116.4
497N28.8Very low29.6Very low114 Ų114130.1 Ų130.161%0.6172%0.721SS**  78.214172.3-76.463.7000111.3
498I35.7Very low29.3Very low144 Ų144127.6 Ų127.674%0.73872%0.721SS**  cis-131.8135.530.5-87.690.3000110.6
499D29.1Very low29.2Very low109 Ų109131.8 Ų131.858%0.58373%0.73SS**  30.9151.1119.8-33.2-52.6000119.2
500E33Very low29.5Very low156 Ų156130.3 Ų130.373%0.72973%0.73SS**  cis-159.1136.84.8-122.4167.7179.700105.6
501N26.6Very low29.6Very low136 Ų136130.9 Ų130.973%0.72772%0.723SS**  76.6169.285.2-162.88000114.8
502I27.3Very low29.6Very low110 Ų110130.5 Ų130.556%0.56472%0.72SS**  trans81.5105.4160-54.4-179.1000119.1
503Q26Very low29.5Very low168 Ų168132.5 Ų132.579%0.78572%0.719SS**  trans73.8131.1144.3-66.6167.613.400119.3
504F24.3Very low29.3Very low199 Ų199132.1 Ų132.187%0.87372%0.718SS**  79.5152.159.4-93.3-88.7000114.6
505T23.7Very low28.9Very low124 Ų124131.7 Ų131.776%0.76171%0.708SS**  trans8190.4172.1660000119.8
506S25.6Very low28.9Very low100 Ų100132.5 Ų132.570%0.69971%0.712SS**  36.6133.8120.459.20000123.3
507S27.6Very low28.8Very low110 Ų110132 Ų13277%0.76971%0.711SS**  trans68146.9146.165.20000117.7
508C27Very low28.7Very low117 Ų117131.2 Ų131.279%0.79171%0.714SS**  cis-150.8162.637.9-71.10000115
509F33.9Very low28.3Very low186 Ų186130.1 Ų130.182%0.81671%0.714SS**  trans-69.9159.6153.5-89.1-94.8000111.3
510P35.4Very low28.2Very low113 Ų113131.7 Ų131.773%0.73472%0.722SS**  -121.1154.289.5-0.923.3000112.9
511H27.2Very low27.9Very low140 Ų140133.6 Ų133.665%0.64873%0.729SS**  51.7134.776.1-66.2-101.7000113.3E513H511-E513 IonicContact ND1-OE1 3.4Å; H511-E513 PolarHBondContact ND1-OE1 2.81Å
512S31.5Very low27.9Very low102 Ų102132.2 Ų132.271%0.71373%0.725SS**  cis-148.5144.642.7-77.70000110.7
513E28.8Very low27.9Very low140 Ų140135.3 Ų135.365%0.65474%0.739SS**  61.3138.177-64.7178.3-161.900114.2H511H511-E513 IonicContact ND1-OE1 3.4Å; H511-E513 PolarHBondContact ND1-OE1 2.81Å
514L29.2Very low27.9Very low135 Ų135132.5 Ų132.571%0.70774%0.738SS**  cis-163.6170.92.2-110.5164.4000110.7
515N27.7Very low28.2Very low115 Ų115129 Ų12962%0.61574%0.738SS**  trans69.6133.8153.6-8227.8000120.3
516E28.3Very low28.3Very low162 Ų162129.9 Ų129.976%0.75774%0.744SS**  68.414065.4-66.7-174.3159.600114.1
517S27.4Very low28.5Very low93 Ų93130.9 Ų130.965%0.6575%0.75SS**  cis-168.4176.4-14.9630000110.4
518S28Very low28.6Very low97 Ų97134.2 Ų134.268%0.67875%0.754SS**  trans74.7154.6145.6-55.80000122.2
519T27.8Very low28.5Very low121 Ų121134 Ų13474%0.74275%0.749SS**  trans64.6108.4154.544.80000121.8
520N26.9Very low28.3Very low142 Ų142133.5 Ų133.576%0.75975%0.749SS**  29.3120.1117.1-50.1-21.5000118.8
521F25.8Very low28.1Very low196 Ų196136.2 Ų136.286%0.8676%0.758SS**  -162.2155104.4-131.1-108.1000115.6
522V26.3Very low28.3Very low106 Ų106133.4 Ų133.464%0.64277%0.767SS**  trans-46.4142.5161.5174.50000110.2
523M27.3Very low28.3Very low176 Ų176132.8 Ų132.887%0.86778%0.776SS**  -169.2157.480.9-154148.5-167.300116.1
524S26.5Very low28.5Very low108 Ų108129.4 Ų129.476%0.75578%0.779SS**  trans-68150.2-176.2-32.40000115.6
525S30.8Very low28.6Very low125 Ų125127.3 Ų127.387%0.87479%0.79SS**  trans-157.7148.5136.743.10000111.4
526T26.3Very low28.8Very low144 Ų144128 Ų12888%0.88380%0.802SS**  trans-112.5134.9-173.648.70000111.9
527S29.6Very low29.3Very low120 Ų120122.6 Ų122.684%0.83979%0.791SS**  trans-153.5145154.855.10000111.1
528Q28Very low29.7Very low180 Ų180126.1 Ų126.184%0.84180%0.797SS**  trans-65.8160.9164.5-64.3141.8-2900108.5
529T26.9Very low30.1Very low114 Ų114129.6 Ų129.670%0.69980%0.802SS**  -165.1143.555.944.20000113.5
530E29.6Very low30.6Very low175 Ų175127.3 Ų127.382%0.81880%0.796SS**  trans64.3151.5139.2-62.2177.3155.600122.4
531D31.1Very low31.3Very low169 Ų169124.9 Ų124.990%0.90479%0.786SS**  trans56.4128.9166.2-67.9-10.6000123.2
532G31.4Very low31.9Very low82 Ų82120.3 Ų120.385%0.84577%0.774SS**  trans139.164.7140.200000121
533G31.8Very low32.6Very low88 Ų88120.1 Ų120.191%0.90777%0.773SS**  trans76.7168.7160.200000117
534G33Very low33.4Very low69 Ų69114.3 Ų114.371%0.71175%0.753SS**  cis-165.4135.6-6.700000110.4C536G534-C536 PolarHBondContact O-N 2.68Å
535G29.9Very low34.1Very low91 Ų91111.8 Ų111.894%0.93874%0.739SS**  trans-83.1110.1-170.600000113.9
536C33Very low34.7Very low129 Ų129108.7 Ų108.787%0.87272%0.721SS**  trans-143.356.9175.251.20000112.2G534G534-C536 PolarHBondContact O-N 2.68Å
537G37.5Very low35.9Very low50 Ų50104.3 Ų104.352%0.51570%0.699SS.*SBendtrans-143.4-21.6-176.600000118
538E36.6Very low36.8Very low166 Ų166103.2 Ų103.278%0.77669%0.687SS**Hα-helixtrans-93.6-29.5-172.1-69-175.5112.500114.9A540 T541 V542E538-A540 PolarHBondContact O-N 2.78Å; E538-T541 PolarHBondContact O-N 3.01Å; E538-T541 PolarHBondContact O-OG1 2.69Å; E538-V542 WeakPolarHBondContact O-CG2 3.12Å; E538-V542 PolarHBondContact O-N 3.14Å
539E36Very low38Very low170 Ų17099.4 Ų99.479%0.79468%0.676SS**Hα-helixtrans-68.2-36.7179.7-65.9-167.313000112.2T541 V542 V543E539-T541 VanDerWaalsContact C-N 3.34Å; E539-T541 PolarHBondContact O-N 2.65Å; E539-V542 PolarHBondContact O-N 3.42Å; E539-V543 WeakPolarHBondContact O-CG2 3.43Å; E539-V543 PolarHBondContact O-N 3.14Å
540A37.6Very low39.3Very low74 Ų7496.8 Ų96.861%0.61267%0.665SS**Hα-helixtrans-63.3-37.4178.700000112.7E538 A544E538-A540 PolarHBondContact O-N 2.78Å; A540-A544 WeakPolarHBondContact O-CB 3.22Å; A540-A544 PolarHBondContact O-N 3.18Å
541T42.6Very low40.3Very low91 Ų9191.3 Ų91.356%0.55865%0.647SS**Hα-helixtrans-74.8-33.4178.754.10000112.1E538 E539 A545E538-T541 PolarHBondContact O-N 3.01Å; E538-T541 PolarHBondContact O-OG1 2.69Å; E539-T541 VanDerWaalsContact C-N 3.34Å; E539-T541 PolarHBondContact O-N 2.65Å; T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 3.39Å
542V38.7Very low41.3Very low99 Ų9986 Ų8660%0.663%0.626SS**Hα-helixtrans-67.8-43173175.40000111.5E538 E539 A545 A546E538-V542 WeakPolarHBondContact O-CG2 3.12Å; E538-V542 PolarHBondContact O-N 3.14Å; E539-V542 PolarHBondContact O-N 3.42Å; V542-A545 PolarHBondContact O-N 2.7Å; V542-A546 WeakPolarHBondContact O-CB 3.35Å; V542-A546 PolarHBondContact O-N 2.8Å
543V41.4Very low42.4Very low103 Ų10384.6 Ų84.662%0.62461%0.607SS**Hα-helixtrans-64.4-43.4175.51730000111.2E539 A545 A546 A547E539-V543 WeakPolarHBondContact O-CG2 3.43Å; E539-V543 PolarHBondContact O-N 3.14Å; V543-A545 PolarHBondContact O-N 2.73Å; V543-A546 PolarHBondContact O-N 3.25Å; V543-A547 PolarHBondContact O-N 3.36Å
544A42.1Very low43.7Very low54 Ų5482.5 Ų82.545%0.44658%0.581SS.*Hα-helixtrans-61.3-42.9174.900000112.3A540 A546 A547 V548A540-A544 WeakPolarHBondContact O-CB 3.22Å; A540-A544 PolarHBondContact O-N 3.18Å; A544-A546 PolarHBondContact O-N 3.47Å; A544-A547 PolarHBondContact O-N 3.28Å; A544-V548 WeakPolarHBondContact O-CG2 3.3Å; A544-V548 PolarHBondContact O-N 2.83Å
545A41.9Very low44.9Very low55 Ų5585.9 Ų85.946%0.45558%0.578SS.*Hα-helixtrans-62.9-41.5175.900000112.2T541 V542 V543 V548 V549T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 3.39Å; V542-A545 PolarHBondContact O-N 2.7Å; V543-A545 PolarHBondContact O-N 2.73Å; A545-V548 PolarHBondContact O-N 3.07Å; A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 2.88Å
546A44.6Very low46.3Very low60 Ų6084.6 Ų84.650%0.49656%0.558SS.*Hα-helixtrans-62.7-41.8175.300000112.2V542 V543 A544 V549 A550V542-A546 WeakPolarHBondContact O-CB 3.35Å; V542-A546 PolarHBondContact O-N 2.8Å; V543-A546 PolarHBondContact O-N 3.25Å; A544-A546 PolarHBondContact O-N 3.47Å; A546-V549 PolarHBondContact O-N 3.12Å; A546-A550 WeakPolarHBondContact O-CB 3.43Å; A546-A550 PolarHBondContact O-N 2.78Å
547A49.6Very low47.4Very low51 Ų5183.2 Ų83.242%0.42155%0.546SS..Hα-helixtrans-63.9-39.9175.900000112.6V543 A544 A550 S551V543-A547 PolarHBondContact O-N 3.36Å; A544-A547 PolarHBondContact O-N 3.28Å; A547-A550 PolarHBondContact O-N 3.08Å; A547-S551 PolarHBondContact O-N 3.47Å; A547-S551 PolarHBondContact O-OG 2.02Å
548V49.4Very low48.5Very low98 Ų9882.8 Ų82.859%0.59454%0.537SS*.Hα-helixtrans-66.8-39175.3170.90000112A544 A545 S551 A552A544-V548 WeakPolarHBondContact O-CG2 3.3Å; A544-V548 PolarHBondContact O-N 2.83Å; A545-V548 PolarHBondContact O-N 3.07Å; V548-S551 PolarHBondContact O-OG 2.6Å; V548-S551 VanDerWaalsContact O-OG 3.14Å; V548-A552 VanDerWaalsContact O-CB 3.29Å; V548-A552 WeakPolarHBondContact O-CB 3.07Å; V548-A552 PolarHBondContact O-N 3.47Å
549V52.9Low49.7Very low99 Ų9977.4 Ų77.460%0.652%0.521SS*.Hα-helixtrans-67.3-38.9174.2172.30000111.2A545 A546 A553A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 2.88Å; A546-V549 PolarHBondContact O-N 3.12Å; V549-A553 WeakPolarHBondContact O-CB 3.27Å; V549-A553 PolarHBondContact O-N 3.31Å
550A54.8Low50.7Low59 Ų5972 Ų7249%0.48851%0.506SS..Hα-helixtrans-65.1-43.7176.200000112.4A546 A547 A553 A554A546-A550 WeakPolarHBondContact O-CB 3.43Å; A546-A550 PolarHBondContact O-N 2.78Å; A547-A550 PolarHBondContact O-N 3.08Å; A550-A553 PolarHBondContact O-N 3.33Å; A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.33Å
551S50.8Low51.8Low61 Ų6169.8 Ų69.843%0.42749%0.487SS..Hα-helixtrans-68.7-38.2177.469.60000112.2A547 V548 A553 A554 H555A547-S551 PolarHBondContact O-N 3.47Å; A547-S551 PolarHBondContact O-OG 2.02Å; V548-S551 PolarHBondContact O-OG 2.6Å; V548-S551 VanDerWaalsContact O-OG 3.14Å; S551-A553 PolarHBondContact O-N 2.79Å; S551-A554 PolarHBondContact O-N 3.39Å; S551-H555 PolarHBondContact O-CD2 2.78Å; S551-H555 VanDerWaalsContact O-CD2 3.31Å; S551-H555 PolarHBondContact O-N 2.79Å
552A50.9Low52.7Low57 Ų5771.8 Ų71.847%0.47149%0.49SS..Hα-helixtrans-61.7-42.2172.500000112.2V548 H555 A556V548-A552 VanDerWaalsContact O-CB 3.29Å; V548-A552 WeakPolarHBondContact O-CB 3.07Å; V548-A552 PolarHBondContact O-N 3.47Å; A552-H555 PolarHBondContact O-N 2.83Å; A552-A556 WeakPolarHBondContact O-CB 3.34Å; A552-A556 PolarHBondContact O-N 2.69Å
553A54.7Low53.6Low53 Ų5370 Ų7044%0.43849%0.486SS..Hα-helixtrans-64.5-43174.600000112V549 A550 S551 A556 V557V549-A553 WeakPolarHBondContact O-CB 3.27Å; V549-A553 PolarHBondContact O-N 3.31Å; A550-A553 PolarHBondContact O-N 3.33Å; S551-A553 PolarHBondContact O-N 2.79Å; A553-A556 PolarHBondContact O-N 3.33Å; A553-V557 WeakPolarHBondContact O-CG2 3.32Å; A553-V557 PolarHBondContact O-N 2.77Å
554A60.4Low54.3Low44 Ų4469.6 Ų69.636%0.36448%0.484SS..Hα-helixtrans-61.4-44175.700000112.1A550 S551 A556 V557 A558A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.33Å; S551-A554 PolarHBondContact O-N 3.39Å; A554-A556 PolarHBondContact O-N 2.81Å; A554-V557 PolarHBondContact O-N 2.73Å; A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.3Å
555H57.8Low55Low140 Ų14069.2 Ų69.265%0.64848%0.478SS*.Hα-helixtrans-63.1-39.1174-87-70.6000112.8S551 A552 A558 A559S551-H555 PolarHBondContact O-CD2 2.78Å; S551-H555 VanDerWaalsContact O-CD2 3.31Å; S551-H555 PolarHBondContact O-N 2.79Å; A552-H555 PolarHBondContact O-N 2.83Å; H555-A558 PolarHBondContact O-N 3Å; H555-A559 WeakPolarHBondContact O-CB 3.43Å; H555-A559 PolarHBondContact O-N 2.97Å
556A58Low56Low64 Ų6469.5 Ų69.553%0.52948%0.48SS..Hα-helixtrans-65-41.8176.100000112.3A552 A553 A554 A559 A560A552-A556 WeakPolarHBondContact O-CB 3.34Å; A552-A556 PolarHBondContact O-N 2.69Å; A553-A556 PolarHBondContact O-N 3.33Å; A554-A556 PolarHBondContact O-N 2.81Å; A556-A559 PolarHBondContact O-N 3.12Å; A556-A560 WeakPolarHBondContact O-CB 3.4Å; A556-A560 PolarHBondContact O-N 2.84Å
557V58Low56.5Low100 Ų10069 Ų6961%0.60648%0.476SS*.Hα-helixtrans-65.1-43.4174.2172.40000111A553 A554 A559 A560 A561A553-V557 WeakPolarHBondContact O-CG2 3.32Å; A553-V557 PolarHBondContact O-N 2.77Å; A554-V557 PolarHBondContact O-N 2.73Å; V557-A559 PolarHBondContact O-N 3Å; V557-A560 PolarHBondContact O-N 3.28Å; V557-A561 WeakPolarHBondContact O-CB 3.33Å; V557-A561 PolarHBondContact O-N 3.06Å
558A60.7Low56.8Low41 Ų4169.6 Ų69.634%0.33947%0.474SS..Hα-helixtrans-61.7-42.5176.300000112.3A554 H555 A561 Q562A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.3Å; H555-A558 PolarHBondContact O-N 3Å; A558-A561 PolarHBondContact O-N 3.35Å; A558-Q562 WeakPolarHBondContact O-CB 3.49Å; A558-Q562 WeakPolarHBondContact O-CG 3.38Å; A558-Q562 PolarHBondContact O-N 3.03Å
559A59.9Low57.3Low53 Ų5370.1 Ų70.144%0.43847%0.47SS..Hα-helixtrans-65.1-40.717600000112.3H555 A556 V557 Q562 A563H555-A559 WeakPolarHBondContact O-CB 3.43Å; H555-A559 PolarHBondContact O-N 2.97Å; A556-A559 PolarHBondContact O-N 3.12Å; V557-A559 PolarHBondContact O-N 3Å; A559-Q562 PolarHBondContact O-N 2.97Å; A559-A563 WeakPolarHBondContact O-CB 3.29Å; A559-A563 PolarHBondContact O-N 3.09Å
560A57.5Low57.8Low56 Ų5672.2 Ų72.246%0.46347%0.473SS..Hα-helixtrans-64-42.6173.900000111.9A556 V557 A563 V564A556-A560 WeakPolarHBondContact O-CB 3.4Å; A556-A560 PolarHBondContact O-N 2.84Å; V557-A560 PolarHBondContact O-N 3.28Å; A560-A563 PolarHBondContact O-N 2.91Å; A560-V564 WeakPolarHBondContact O-CG2 3.28Å; A560-V564 PolarHBondContact O-N 3.39Å
561A60.5Low57.4Low27 Ų2778.7 Ų78.722%0.22349%0.485CS..Hα-helixtrans-63.6-41.7176.500000112.1V557 A558 V564 S565 F1205V557-A561 WeakPolarHBondContact O-CB 3.33Å; V557-A561 PolarHBondContact O-N 3.06Å; A558-A561 PolarHBondContact O-N 3.35Å; A561-V564 PolarHBondContact O-N 3.21Å; A561-S565 WeakPolarHBondContact O-CB 3.34Å; A561-S565 PolarHBondContact O-N 3.46Å; A561-F1205 HydrophobicContact CB-CE2 3.8Å; A561-F1205 HydrophobicContact CB-CZ 4.24Å
562Q61.3Low57.1Low133 Ų13380 Ų8062%0.62148%0.48SS*.Hα-helixtrans-62.5-42.7172.1-75.2175.6-400112A558 A559 S565 A566A558-Q562 WeakPolarHBondContact O-CB 3.49Å; A558-Q562 WeakPolarHBondContact O-CG 3.38Å; A558-Q562 PolarHBondContact O-N 3.03Å; A559-Q562 PolarHBondContact O-N 2.97Å; Q562-S565 PolarHBondContact O-N 2.91Å; Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 2.7Å
563A59.1Low57.3Low62 Ų6279.9 Ų79.951%0.51248%0.479SS..Hα-helixtrans-64.5-39.4177.400000112.6A559 A560 A567A559-A563 WeakPolarHBondContact O-CB 3.29Å; A559-A563 PolarHBondContact O-N 3.09Å; A560-A563 PolarHBondContact O-N 2.91Å; A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.09Å
564V56.4Low57Low95 Ų9580.4 Ų80.458%0.57648%0.48SS*.Hα-helixtrans-65.3-46.1173171.80000110.8A560 A561 A566 A567 V568A560-V564 WeakPolarHBondContact O-CG2 3.28Å; A560-V564 PolarHBondContact O-N 3.39Å; A561-V564 PolarHBondContact O-N 3.21Å; V564-A566 PolarHBondContact O-N 3.03Å; V564-A567 PolarHBondContact O-N 2.67Å; V564-V568 HydrophobicContact CG1-CG2 4.47Å; V564-V568 WeakPolarHBondContact O-CG2 3.47Å; V564-V568 PolarHBondContact O-N 3.43Å
565S55.6Low56.1Low46 Ų4681.5 Ų81.532%0.32249%0.485SS..Hα-helixtrans-60.9-44.3177.6-174.80000111.9A561 Q562 A567 V568 H569A561-S565 WeakPolarHBondContact O-CB 3.34Å; A561-S565 PolarHBondContact O-N 3.46Å; Q562-S565 PolarHBondContact O-N 2.91Å; S565-A567 VanDerWaalsContact C-N 3.35Å; S565-A567 PolarHBondContact O-N 2.88Å; S565-V568 PolarHBondContact O-N 2.83Å; S565-H569 PolarHBondContact O-CD2 2.95Å; S565-H569 PolarHBondContact O-N 2.88Å
566A62.4Low55.5Low60 Ų6077.3 Ų77.350%0.49647%0.471SS..Hα-helixtrans-60.4-41.3173.800000112.4Q562 V564 H569 H570Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 2.7Å; V564-A566 PolarHBondContact O-N 3.03Å; A566-H569 PolarHBondContact O-N 3.48Å; A566-H570 WeakPolarHBondContact O-CB 3.46Å; A566-H570 PolarHBondContact O-N 3.47Å
567A54.9Low55Low51 Ų5177 Ų7742%0.42147%0.465SS..Hα-helixtrans-66.6-36.3175.500000112.7A563 V564 S565 R571A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.09Å; V564-A567 PolarHBondContact O-N 2.67Å; S565-A567 VanDerWaalsContact C-N 3.35Å; S565-A567 PolarHBondContact O-N 2.88Å; A567-R571 WeakPolarHBondContact O-CG 3.4Å; A567-R571 PolarHBondContact O-N 2.77Å; A567-R571 VanDerWaalsContact O-N 3.09Å
568V56Low54.5Low63 Ų6375.5 Ų75.538%0.38246%0.459SS..Hα-helixtrans-68-45.3173.5170.90000110.9V564 S565 H570 R571 R572V564-V568 HydrophobicContact CG1-CG2 4.47Å; V564-V568 WeakPolarHBondContact O-CG2 3.47Å; V564-V568 PolarHBondContact O-N 3.43Å; S565-V568 PolarHBondContact O-N 2.83Å; V568-H570 PolarHBondContact O-N 3.19Å; V568-R571 PolarHBondContact O-N 3.11Å; V568-R572 HydrophobicContact CG1-CG 4.42Å; V568-R572 PolarHBondContact O-N 2.85Å
569H60.1Low53.9Low109 Ų10978.6 Ų78.651%0.50547%0.469SS..Hα-helixtrans-60.7-42.3174.3-92.4-87.7000112.3S565 A566 R571 R572 A573S565-H569 PolarHBondContact O-CD2 2.95Å; S565-H569 PolarHBondContact O-N 2.88Å; A566-H569 PolarHBondContact O-N 3.48Å; H569-R571 VanDerWaalsContact C-N 3.29Å; H569-R571 PolarHBondContact O-N 3.29Å; H569-R572 PolarHBondContact O-N 3.48Å; H569-A573 WeakPolarHBondContact O-CB 3.27Å; H569-A573 PolarHBondContact O-N 3.16Å
570H63.8Low53.3Low143 Ų14380.9 Ų80.966%0.66247%0.474SS*.Hα-helixtrans-67.4-29.1177.9-158.3-47.3000112.4A566 V568 S574A566-H570 WeakPolarHBondContact O-CB 3.46Å; A566-H570 PolarHBondContact O-N 3.47Å; V568-H570 PolarHBondContact O-N 3.19Å; H570-S574 WeakPolarHBondContact O-CB 3.33Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 2.79Å
571R46.3Very low53Low195 Ų19585.1 Ų85.174%0.73649%0.485SS*.Hα-helixtrans-73.7-46168.4-72.7-175.2-169.6-150.36112.3A567 V568 H569 A573 S574 S575A567-R571 WeakPolarHBondContact O-CG 3.4Å; A567-R571 PolarHBondContact O-N 2.77Å; A567-R571 VanDerWaalsContact O-N 3.09Å; V568-R571 PolarHBondContact O-N 3.11Å; H569-R571 VanDerWaalsContact C-N 3.29Å; H569-R571 PolarHBondContact O-N 3.29Å; R571-A573 PolarHBondContact O-N 2.91Å; R571-S574 WeakPolarHBondContact CA-OG 3.4Å; R571-S574 PolarHBondContact O-N 3Å; R571-S574 PolarHBondContact O-OG 3.49Å; R571-S574 VanDerWaalsContact O-OG 3.14Å; R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 2.94Å; R571-S575 PolarHBondContact O-OG 3.37Å
572R45.3Very low52.6Low88 Ų8886.1 Ų86.133%0.33249%0.493SS..Hα-helixtrans-55.3-52.6175.5-76.1-174.1-177.5169.92.8110.1V568 H569 S574 S575 S576 E1202V568-R572 HydrophobicContact CG1-CG 4.42Å; V568-R572 PolarHBondContact O-N 2.85Å; H569-R572 PolarHBondContact O-N 3.48Å; R572-S574 PolarHBondContact O-N 2.93Å; R572-S575 WeakPolarHBondContact CA-OG 3.47Å; R572-S575 PolarHBondContact O-N 2.87Å; R572-S575 VanDerWaalsContact O-N 3.13Å; R572-S575 PolarHBondContact O-OG 3.27Å; R572-S576 PolarHBondContact O-N 3.17Å; R572-S576 PolarHBondContact O-OG 2.84Å; R572-E1202 IonicContact CZ-OE1 3.67Å; R572-E1202 VanDerWaalsContact CZ-OE1 3.3Å; R572-E1202 IonicContact NH1-OE1 3.29Å; R572-E1202 PolarHBondContact NH1-OE1 3.39Å; R572-E1202 IonicContact NH2-OE1 3.42Å; R572-E1202 PolarHBondContact NH2-OE1 2.83Å
573A54.3Low52Low55 Ų5583.9 Ų83.946%0.45548%0.484SS..Hα-helixtrans-63-36-179.100000114.4H569 R571 S576 S577H569-A573 WeakPolarHBondContact O-CB 3.27Å; H569-A573 PolarHBondContact O-N 3.16Å; R571-A573 PolarHBondContact O-N 2.91Å; A573-S576 PolarHBondContact O-OG 3.4Å; A573-S577 WeakPolarHBondContact O-CB 3.39Å; A573-S577 PolarHBondContact O-N 2.91Å; A573-S577 VanDerWaalsContact O-N 3.16Å; A573-S577 PolarHBondContact O-OG 3.41Å
574S48.6Very low51.7Low64 Ų6483.9 Ų83.945%0.44848%0.481SS..Hα-helixtrans-75.3-30.3174.149.30000112.7H570 R571 R572 S577 S578H570-S574 WeakPolarHBondContact O-CB 3.33Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 2.79Å; R571-S574 WeakPolarHBondContact CA-OG 3.4Å; R571-S574 PolarHBondContact O-N 3Å; R571-S574 PolarHBondContact O-OG 3.49Å; R571-S574 VanDerWaalsContact O-OG 3.14Å; R572-S574 PolarHBondContact O-N 2.93Å; S574-S577 PolarHBondContact O-OG 3.26Å; S574-S578 PolarHBondContact O-N 2.82Å
575S42.3Very low51.3Low66 Ų6682.5 Ų82.546%0.46248%0.475SS..Hα-helixtrans-73-45.8172.368.40000112.7R571 R572 S578 L579R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 2.94Å; R571-S575 PolarHBondContact O-OG 3.37Å; R572-S575 WeakPolarHBondContact CA-OG 3.47Å; R572-S575 PolarHBondContact O-N 2.87Å; R572-S575 VanDerWaalsContact O-N 3.13Å; R572-S575 PolarHBondContact O-OG 3.27Å; S575-S578 PolarHBondContact O-N 2.85Å; S575-S578 PolarHBondContact O-OG 3.16Å; S575-L579 WeakPolarHBondContact O-CB 3.42Å; S575-L579 PolarHBondContact O-N 2.88Å
576S44.6Very low50.8Low53 Ų5387.3 Ų87.337%0.37149%0.492SS..Hα-helixtrans-66.4-45.7-178.964.10000111.4R572 A573 S578 L579 D580R572-S576 PolarHBondContact O-N 3.17Å; R572-S576 PolarHBondContact O-OG 2.84Å; A573-S576 PolarHBondContact O-OG 3.4Å; S576-S578 PolarHBondContact O-N 3.2Å; S576-L579 CarbonylContact O-C 3.42Å; S576-L579 PolarHBondContact O-N 2.73Å; S576-D580 WeakPolarHBondContact O-CB 3.48Å; S576-D580 PolarHBondContact O-N 2.85Å
577S47.6Very low50.1Low56 Ų5689.4 Ų89.439%0.39249%0.494SS..Hα-helixtrans-59.5-31.3174.753.60000113.3A573 S574 Q581A573-S577 WeakPolarHBondContact O-CB 3.39Å; A573-S577 PolarHBondContact O-N 2.91Å; A573-S577 VanDerWaalsContact O-N 3.16Å; A573-S577 PolarHBondContact O-OG 3.41Å; S574-S577 PolarHBondContact O-OG 3.26Å; S577-Q581 WeakPolarHBondContact O-CB 3.38Å; S577-Q581 WeakPolarHBondContact O-CG 3.39Å; S577-Q581 PolarHBondContact O-N 2.86Å
578S46.4Very low49.5Very low69 Ų6991.6 Ų91.648%0.48350%0.499SS..Hα-helixtrans-74.3-35.2171.578.80000113.4S574 S575 S576 A582S574-S578 PolarHBondContact O-N 2.82Å; S575-S578 PolarHBondContact O-N 2.85Å; S575-S578 PolarHBondContact O-OG 3.16Å; S576-S578 PolarHBondContact O-N 3.2Å; S578-A582 WeakPolarHBondContact O-CB 3.17Å; S578-A582 PolarHBondContact O-N 2.81Å
579L48.7Very low48.8Very low107 Ų10796.9 Ų96.956%0.5652%0.52SS*.Hα-helixtrans-75.2-43-179.4-160.978.5000111.6S575 S576 Q581 A582 I583S575-L579 WeakPolarHBondContact O-CB 3.42Å; S575-L579 PolarHBondContact O-N 2.88Å; S576-L579 CarbonylContact O-C 3.42Å; S576-L579 PolarHBondContact O-N 2.73Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; L579-Q581 PolarHBondContact O-N 2.85Å; L579-A582 WeakPolarHBondContact O-CB 3.23Å; L579-A582 PolarHBondContact O-N 2.91Å; L579-I583 HydrophobicContact CD2-CD1 4.25Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CB 3.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.35Å; L579-I583 PolarHBondContact O-N 3.32Å
580D46.5Very low47.7Very low101 Ų10196.3 Ų96.354%0.5453%0.528SS..Hα-helixtrans-65.3-37.3175.5-66.8-40.5000111S576 S584S576-D580 WeakPolarHBondContact O-CB 3.48Å; S576-D580 PolarHBondContact O-N 2.85Å; D580-S584 WeakPolarHBondContact O-CB 3.29Å; D580-S584 PolarHBondContact O-N 3.35Å
581Q52.7Low46.4Very low145 Ų14595.7 Ų95.768%0.67853%0.528SS*.Hα-helixtrans-67.8-38.2171-75.2178.62.800112.3S577 L579 S585S577-Q581 WeakPolarHBondContact O-CB 3.38Å; S577-Q581 WeakPolarHBondContact O-CG 3.39Å; S577-Q581 PolarHBondContact O-N 2.86Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; L579-Q581 PolarHBondContact O-N 2.85Å; Q581-S585 VanDerWaalsContact O-CB 3.26Å; Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 3.41Å; Q581-S585 PolarHBondContact O-OG 2.65Å
582A51.5Low45.7Very low48 Ų4893 Ų9340%0.39753%0.528SS..Hα-helixtrans-65.6-46174.800000112.3S578 L579 S585 Q586S578-A582 WeakPolarHBondContact O-CB 3.17Å; S578-A582 PolarHBondContact O-N 2.81Å; L579-A582 WeakPolarHBondContact O-CB 3.23Å; L579-A582 PolarHBondContact O-N 2.91Å; A582-S585 PolarHBondContact O-N 3.42Å; A582-S585 PolarHBondContact O-OG 3.39Å; A582-Q586 PolarHBondContact O-N 3.05Å
583I49.5Very low45Very low85 Ų8596.8 Ų96.844%0.43655%0.551SS.*Hα-helixtrans-68.5-44.4179.2-68167.7000110.7L579 S585 Q586 L587L579-I583 HydrophobicContact CD2-CD1 4.25Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CB 3.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.35Å; L579-I583 PolarHBondContact O-N 3.32Å; I583-S585 VanDerWaalsContact C-N 3.35Å; I583-S585 PolarHBondContact O-N 3.17Å; I583-Q586 PolarHBondContact O-N 3.46Å; I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 HydrophobicContact CG2-CG 4.41Å; I583-L587 WeakPolarHBondContact O-CB 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.35Å; I583-L587 PolarHBondContact O-N 3.01Å
584S51.3Low44Very low63 Ų63103 Ų10344%0.44157%0.57SS.*Hα-helixtrans-66-34.1177.5-173.50000112.7D580 N588D580-S584 WeakPolarHBondContact O-CB 3.29Å; D580-S584 PolarHBondContact O-N 3.35Å; S584-N588 WeakPolarHBondContact O-CB 2.93Å; S584-N588 PolarHBondContact O-N 3.38Å; S584-N588 PolarHBondContact O-ND2 2.86Å
585S47.9Very low43.4Very low65 Ų65105.5 Ų105.546%0.45558%0.583SS.*Hα-helixtrans-70-44.6173.858.30000112.5Q581 A582 I583 L587 N588 E589Q581-S585 VanDerWaalsContact O-CB 3.26Å; Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 3.41Å; Q581-S585 PolarHBondContact O-OG 2.65Å; A582-S585 PolarHBondContact O-N 3.42Å; A582-S585 PolarHBondContact O-OG 3.39Å; I583-S585 VanDerWaalsContact C-N 3.35Å; I583-S585 PolarHBondContact O-N 3.17Å; S585-L587 PolarHBondContact O-N 3.35Å; S585-N588 PolarHBondContact O-N 2.96Å; S585-E589 PolarHBondContact O-N 3.12Å
586Q45.5Very low43.1Very low148 Ų148110 Ų11069%0.69260%0.601SS**Hα-helixtrans-67.1-35.9176.5-71.2-156.5-27.100113.4A582 I583 S590A582-Q586 PolarHBondContact O-N 3.05Å; I583-Q586 PolarHBondContact O-N 3.46Å; Q586-S590 WeakPolarHBondContact O-CB 3.24Å; Q586-S590 PolarHBondContact O-N 2.95Å; Q586-S590 VanDerWaalsContact O-N 3.12Å; Q586-S590 PolarHBondContact O-OG 3.3Å
587L47.4Very low43Very low103 Ų103111.9 Ų111.954%0.53961%0.612SS.*Hα-helixtrans-69.1-34.8174.5-71.7173000112.5I583 S585 S590 I591I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 HydrophobicContact CG2-CG 4.41Å; I583-L587 WeakPolarHBondContact O-CB 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.35Å; I583-L587 PolarHBondContact O-N 3.01Å; S585-L587 PolarHBondContact O-N 3.35Å; L587-S590 PolarHBondContact O-N 3.01Å; L587-I591 WeakPolarHBondContact O-CD1 3.43Å; L587-I591 WeakPolarHBondContact O-CG1 3.39Å
588N42.8Very low42.4Very low98 Ų98115.3 Ų115.352%0.52463%0.626SS.*Hα-helixtrans-73.7-36.7175.7-80.4-51.1000113.4S584 S585 S590 I591S584-N588 WeakPolarHBondContact O-CB 2.93Å; S584-N588 PolarHBondContact O-N 3.38Å; S584-N588 PolarHBondContact O-ND2 2.86Å; S585-N588 PolarHBondContact O-N 2.96Å; N588-S590 PolarHBondContact O-N 2.87Å; N588-I591 PolarHBondContact O-N 3.06Å
589E40.8Very low41.8Very low174 Ų174120.2 Ų120.281%0.81364%0.641SS**Hα-helixtrans-69-24.5172.1-70.5-156.5144.600112.5S585 I591S585-E589 PolarHBondContact O-N 3.12Å; E589-I591 PolarHBondContact O-N 3.4Å
590S38.8Very low41.2Very low96 Ų96120 Ų12067%0.67165%0.648SS**THydrogen-bonded Turntrans-72.1-8.6176.1-60.50000114.6Q586 L587 N588Q586-S590 WeakPolarHBondContact O-CB 3.24Å; Q586-S590 PolarHBondContact O-N 2.95Å; Q586-S590 VanDerWaalsContact O-N 3.12Å; Q586-S590 PolarHBondContact O-OG 3.3Å; L587-S590 PolarHBondContact O-N 3.01Å; N588-S590 PolarHBondContact O-N 2.87Å
591I36Very low40.6Very low131 Ų131120.6 Ų120.667%0.67266%0.656SS**THydrogen-bonded Turntrans-115.90-169.5-68.6173.7000112.7L587 N588 E589L587-I591 WeakPolarHBondContact O-CD1 3.43Å; L587-I591 WeakPolarHBondContact O-CG1 3.39Å; N588-I591 PolarHBondContact O-N 3.06Å; E589-I591 PolarHBondContact O-N 3.4Å
592L31.5Very low39.7Very low138 Ų138120.4 Ų120.472%0.72366%0.658SS**  trans-120.154.1-173.4-85.9169.4000115.6
593M30.5Very low38.8Very low168 Ų168126.2 Ų126.283%0.82868%0.677SS**SBendtrans-141.6153.2154.3-89.6-60.9-178.900111.2
594H33Very low37.9Very low185 Ų185130.6 Ų130.686%0.85670%0.695SS**  trans6863.2-178.4-60-68.9000117
595T35.5Very low37.2Very low117 Ų117132 Ų13272%0.71870%0.703SS**  trans-91140.7157.141.80000111.8
596L36.5Very low36.5Very low159 Ų159135.8 Ų135.883%0.83272%0.717SS**  trans73.2157.3158-58.6158.6000118.4
597P42.8Very low35.9Very low94 Ų94135.2 Ų135.261%0.6172%0.716SS**  -145.9-177.3-50.742-25.7000116
598N33.8Very low35.1Very low127 Ų127137.3 Ų137.368%0.67972%0.723SS**  trans97.2119144.7-72-17.7000123
599Q35.3Very low34.4Very low173 Ų173138 Ų13881%0.80873%0.734SS**  trans69.5141138.4-62.6166.713.300118.4
600S35.4Very low33.9Very low101 Ų101134.2 Ų134.271%0.70673%0.727SS**  cis-172.4176.4-12.567.80000108.5
601T34.1Very low33.6Very low114 Ų114134.3 Ų134.370%0.69973%0.728SS**  cis-168.2166.51.1-1.10000111.7
602I34Very low33.4Very low141 Ų141133.3 Ų133.372%0.72373%0.732SS**  trans79.2104.2146.6-68.1158.3000122.1
603H32.8Very low33.4Very low171 Ų171131.9 Ų131.979%0.79273%0.734SS**  trans48.6112134.3-63.9-88000126.1
604H30.1Very low33.6Very low176 Ų176130.9 Ų130.982%0.81574%0.737SS**  11.5168.8101.6-107.8-103.6000120.5
605P36.6Very low33.5Very low93 Ų93125.4 Ų125.460%0.60473%0.73SS**  cis-148-171.511.231.7-4.6000119.2
606L33.7Very low33.2Very low144 Ų144125.5 Ų125.575%0.75473%0.734SS**  trans76.8150.7156.9-47.7-171.7000119.6
607M32Very low32.8Very low136 Ų136127.7 Ų127.767%0.6773%0.733SS**  cis-163.3153.1-20.3-105.5-47.5-159.300113.5
608H30.8Very low32.2Very low148 Ų148129.4 Ų129.469%0.68574%0.737SS**  trans53.6131.2147.3-78.2-63.6000126.4
609C27.8Very low32.1Very low111 Ų111130.7 Ų130.775%0.7574%0.744SS**  trans69153.4132.5-67.60000121.9
610S30.6Very low31.8Very low95 Ų95133.3 Ų133.366%0.66475%0.748SS**  cis-168167.4-18.753.20000112.7
611S33Very low31.7Very low99 Ų99133.4 Ų133.469%0.69275%0.746SS**  trans60.8116.8145.7570000122.4
612S32.4Very low31.6Very low110 Ų110132.3 Ų132.377%0.76974%0.743SS**  138.3137.810867.50000119.5
613S31.8Very low31.5Very low107 Ų107130.7 Ų130.775%0.74874%0.74SS**  trans88.5148.2142.879.50000124.1
614V34.7Very low31.4Very low148 Ų148129.5 Ų129.590%0.89774%0.739SS**  trans76.6131162.4-167.80000120
615G31Very low31.4Very low69 Ų69126.6 Ų126.671%0.71173%0.726SS**  trans143.657.1146.100000123.3
616C28.7Very low31.1Very low119 Ų119128.4 Ų128.480%0.80473%0.73SS**  trans22.5130.7146.8-59.50000125.1
617Y28.5Very low31Very low206 Ų206129.1 Ų129.181%0.80873%0.733SS**  trans64114.9133.6-83.7-93.6000124.3
618N29.1Very low30.9Very low129 Ų129127.5 Ų127.569%0.6974%0.735SS**  trans51139.4131.8-65.74.5000124.7
619N31.6Very low30.9Very low155 Ų155125.6 Ų125.683%0.82974%0.738SS**  trans103.7115.9150.2-62.6-30.1000120.6
620Y28.7Very low31Very low227 Ų227126.4 Ų126.489%0.8974%0.735SS**  trans-43.3173148.4-84.7-85000115.5
621P33.8Very low31Very low104 Ų104127.5 Ų127.568%0.67573%0.733SS**  cis-139-170.3-1.827.2-1.8000116.6
622S31.3Very low30.8Very low91 Ų91131.1 Ų131.164%0.63673%0.733SS**  trans86.299135.650.80000123.7
623T32.6Very low30.8Very low106 Ų106132.7 Ų132.765%0.6573%0.728SS**  64118.9125.958.10000123.9
624N29.9Very low30.6Very low146 Ų146133.6 Ų133.678%0.78172%0.72SS**  56123.7129-54.9-11.7000121.9
625Q31.5Very low30.6Very low115 Ų115135.2 Ų135.254%0.53772%0.717SS.*  174127.4107.9-94.3-178.632.600116
626L29.5Very low30.6Very low131 Ų131136.8 Ų136.869%0.68671%0.713SS**  trans66.2168.6133.4-63.2171.9000123.1
627I32.9Very low30.9Very low160 Ų160134.2 Ų134.282%0.82171%0.707SS**  trans79129.9174.1-49.6172.4000113.2
628S29.2Very low31.1Very low102 Ų102133.1 Ų133.171%0.71371%0.709SS**  cis148.7154.8-14.8-88.70000106.4
629S29.6Very low31.2Very low107 Ų107131.8 Ų131.875%0.74871%0.71SS**  trans69.9150.8174.2-790000116.2
630D31Very low30.9Very low128 Ų128129.5 Ų129.568%0.68471%0.706SS**  cis-158.1153.32.2-116.92.9000114.5
631L29.9Very low30.9Very low119 Ų119126.9 Ų126.962%0.62370%0.704SS**  trans65.1135.4141.4-64.5173000125.5
632Y28.5Very low30.8Very low174 Ų174129 Ų12968%0.68271%0.709SS**  trans67.8155.6144.3-71.2-46.6000120.9
633H32.4Very low30.6Very low144 Ų144133 Ų13367%0.66772%0.717SS**  cis-145.1146.12.9-125.1-55.9000114.1
634H29.1Very low30.6Very low126 Ų126136.8 Ų136.858%0.58373%0.727SS**  trans-1.9143.8151.2-78.5-120.3000122.9T636H634-T636 HydrophobicContact CB-CG2 4.39Å; H634-T636 VanDerWaalsContact ND1-CG2 3.35Å; H634-T636 WeakPolarHBondContact ND1-CG2 3.26Å
635H34.6Very low30.7Very low181 Ų181137.9 Ų137.984%0.83873%0.727SS**  -169.8122111.3-90.5-60.4000108.4
636T30.4Very low30.7Very low102 Ų102139.3 Ų139.363%0.62673%0.734SS**  cis82.110041.971.80000116.4H634H634-T636 HydrophobicContact CB-CG2 4.39Å; H634-T636 VanDerWaalsContact ND1-CG2 3.35Å; H634-T636 WeakPolarHBondContact ND1-CG2 3.26Å
637G34Very low30.9Very low66 Ų66139.4 Ų139.468%0.6873%0.734SS**  trans-168.9116.2160.300000108.2
638H33.7Very low30.9Very low183 Ų183138.1 Ų138.185%0.84773%0.729SS**  59.7132.677.3-75.1-72.6000113.7
639S31.4Very low31Very low101 Ų101141.6 Ų141.671%0.70673%0.728SS**  cis-165.2171.3-11.8-1180000110.5
640S25.6Very low31.1Very low107 Ų107144.9 Ų144.975%0.74872%0.724SS**  trans-60.5134.4179.151.90000117.4
641M28.5Very low31.3Very low172 Ų172145 Ų14585%0.84772%0.72SS**  trans176.2154.5151.9-91.6-38.2179.100108.3
642L31.1Very low31.6Very low148 Ų148142.5 Ų142.578%0.77571%0.713SS**  cis-128.1165-23-82.5167.4000106.4
643H27.3Very low31.9Very low174 Ų174142 Ų14281%0.80672%0.717SS**  cis99.337.79.8-135.3110.2000119.2
644E31.5Very low31.9Very low186 Ų186142 Ų14287%0.86972%0.721SS**  trans-123.4124.6152.1-82.7-175.9143.300108.9
645H32.4Very low32Very low169 Ų169142.7 Ų142.778%0.78273%0.728SS**  58.2124.596.8-97.7-111.3000113.6
646E32.4Very low31.9Very low146 Ų146137.6 Ų137.668%0.68272%0.717SS**  cis-143.6168.121.4-94.4-164.413000114.1
647L33.1Very low32Very low132 Ų132139 Ų13969%0.69172%0.721SS**  trans30.7124144.5-54.3165.4000117.8
648N33.2Very low31.9Very low134 Ų134142.6 Ų142.672%0.71772%0.724SS**  cis-173.8178.910-131.4-13.6000107.6
649Y31.6Very low31.8Very low174 Ų174138.3 Ų138.368%0.68271%0.714SS**  cis-152.9-178.58-173.5-121.7000111.2
650R32.4Very low32.1Very low176 Ų176139.5 Ų139.566%0.66472%0.723SS**  trans-68.5173.8170.2-77.9157.8155.6-142.811.4114.1
651Q34.9Very low32.6Very low130 Ų130137.9 Ų137.961%0.60772%0.723SS**  cis-168.3170.72.8-111.1166-86.700106.8
652S35.8Very low32.8Very low68 Ų68135.7 Ų135.748%0.47672%0.715SS.*  cis167.4162.7-27.762.40000111.2
653Q35.6Very low33Very low164 Ų164137.2 Ų137.277%0.76672%0.72SS**  trans65.9161147.4-70.8167.413.500116.9
654L32.1Very low33.1Very low142 Ų142134.6 Ų134.674%0.74371%0.712SS**  cis-153.2-179.9-15.8-104.4163.5000105.5
655L30.4Very low33Very low142 Ų142132.7 Ų132.774%0.74371%0.707SS**  cis-156175.712.1-138.4-170.3000108
656A32.4Very low33Very low73 Ų73128.5 Ų128.560%0.60370%0.697SS**  trans69.7142.7154.900000119
657N31.7Very low32.9Very low133 Ų133130.5 Ų130.571%0.71170%0.704SS**  cis-157.8154.3-5.9-112.7-8000112
658L32.6Very low32.6Very low140 Ų140129.1 Ų129.173%0.73371%0.705SS**  trans41.5116.9146-53.5167.7000118.9
659S32Very low32.6Very low93 Ų93130.6 Ų130.665%0.6571%0.711SS**  cis80.2145.145.783.50000116.2
660S37.8Very low32.3Very low127 Ų127130.7 Ų130.789%0.88872%0.718SS**  trans76.3148.917679.60000116.9
661G35.9Very low32.5Very low72 Ų72127 Ų12774%0.74272%0.717SS**  cis175161.1-7.800000116.3
662N32.8Very low32.2Very low127 Ų127126.3 Ų126.368%0.67973%0.726SS**  trans-23.5145.3170.5-47.5-16.8000119L664N662-L664 HydrophobicContact CB-CD1 3.97Å; N662-L664 HydrophobicContact CB-CG 4.18Å
663M34.2Very low32Very low179 Ų179128.9 Ų128.988%0.88274%0.739SS**  -151.9126.6100.9-68.5-50.3170.500107.4
664L30.8Very low31.7Very low120 Ų120125.1 Ų125.163%0.62874%0.736SS**  cis76.2137.138.9-71.2177.4000116.5N662N662-L664 HydrophobicContact CB-CD1 3.97Å; N662-L664 HydrophobicContact CB-CG 4.18Å
665N29.5Very low31.4Very low146 Ų146123.7 Ų123.778%0.78174%0.737SS**  trans71.2150160-61.5-12.4000116.4
666S31.7Very low31.4Very low81 Ų81123 Ų12357%0.56673%0.734SS**  cis-175.3156-8.342.70000106.8
667F31Very low31.3Very low188 Ų188128 Ų12883%0.82574%0.742SS**  cis-156.6160.344.7-93.3-84.6000109.5
668S27.1Very low31.1Very low102 Ų102126.3 Ų126.371%0.71374%0.741SS**  38.9129.9100-145.60000115
669I31.7Very low31Very low166 Ų166124.3 Ų124.385%0.85174%0.739SS**  -151.4166.766.2-82.7160.1000111.9
670Q26.7Very low30.8Very low175 Ų175123.4 Ų123.482%0.81873%0.732SS**  trans-104.3-154.2-173.5-145.2-167.9-4.500112.7
671P35.9Very low30.4Very low100 Ų100125.9 Ų125.965%0.64973%0.73SS**  trans-114-159.7-130.644-27.4000115.4
672S28.3Very low29.9Very low114 Ų114126.3 Ų126.380%0.79772%0.722SS**  trans75.4155.6-175.879.60000113.8
673T32.4Very low29.6Very low122 Ų122127 Ų12775%0.74872%0.724SS**  cis-135.7136.813.842.60000110.4
674A28.8Very low29.1Very low86 Ų86127.2 Ų127.271%0.71172%0.72SS**  72.4152.795.300000116.6
675C26.5Very low28.8Very low112 Ų112129.6 Ų129.676%0.75773%0.728SS**  trans68.8152.1172.8-64.60000116.2
676N29.3Very low28.9Very low127 Ų127127 Ų12768%0.67972%0.719SS**  cis-162.5170.2-15.1-112.4-6.1000110.1
677F30.5Very low28.7Very low177 Ų177127.4 Ų127.478%0.77672%0.722SS**  trans65.6127.9177.3-64.9-84.9000113.3
678S28.4Very low28.4Very low99 Ų99124.7 Ų124.769%0.69272%0.716SS**  67.6134.553.5-59.60000111.7
679S29.2Very low28.3Very low97 Ų97126.1 Ų126.168%0.67872%0.715SS**  cis-168.5-171.5-240.10000109.5
680S28.9Very low28Very low74 Ų74127.9 Ų127.952%0.51771%0.712SS.*  trans56.8123.9130.664.50000118.9
681Q27.9Very low27.9Very low179 Ų179123.8 Ų123.884%0.83670%0.703SS**  trans75.2157.2130.2-69.8167.510.900116.6
682S26.2Very low27.4Very low81 Ų81123 Ų12357%0.56670%0.7SS**  cis-173.2-161.6-25.256.60000107.6
683I26.3Very low27.2Very low142 Ų142125 Ų12573%0.72870%0.698SS**  trans6289.1152.4-68.5164000113.1
684F23.7Very low26.9Very low184 Ų184124.2 Ų124.281%0.80770%0.698SS**  44.4110.987.9-96.4-92.4000114.3
685H25.5Very low26.7Very low170 Ų170126.9 Ų126.979%0.78770%0.699SS**  trans64-176143.2-110.4-154.5000114.9
686P31.5Very low26.7Very low91 Ų91127.8 Ų127.859%0.59170%0.696SS**  cis-117.5-149.3-36.723.1-2.7000108.5
687S26.5Very low26.6Very low90 Ų90127.4 Ų127.463%0.62969%0.694SS**  61.8121.7127.1-80.40000117.3
688N25.5Very low26.4Very low130 Ų130128.8 Ų128.870%0.69569%0.694SS**  cis159.1-176.127.9-123.4-16.7000105.5
689L25.1Very low26.4Very low133 Ų133129.7 Ų129.770%0.69669%0.691SS**  trans43.8124.7138.6-64168.2000118.7
690Y24.3Very low26.4Very low202 Ų202130.9 Ų130.979%0.79269%0.69SS**  cis-174.6-131.11.7-157.9-135.3000106
691S25.2Very low26.5Very low89 Ų89132.4 Ų132.462%0.62270%0.7SS**  trans37.7127.1131.8-63.40000119.8
692S25Very low26.4Very low84 Ų84132.1 Ų132.159%0.58770%0.697SS**  cis178.1150.13.940.90000110.3
693M23.8Very low26.6Very low155 Ų155134.3 Ų134.376%0.76471%0.707SS**  34.3105.9129.5-51.6175.9-83.400118.3
694S27.6Very low26.7Very low106 Ų106132.9 Ų132.974%0.74171%0.709SS**  -174.4121124.5-99.30000106.3
695I24.5Very low26.9Very low142 Ų142129.8 Ų129.873%0.72870%0.7SS**  cis5264.322.8-40.8-178.5000111.3
696D27Very low27.3Very low131 Ų131126.7 Ų126.770%0.70170%0.698SS**  -123.3115.9123.5-92.7-55.4000106.3
697N25.8Very low27.2Very low119 Ų119131 Ų13164%0.63670%0.702SS**  cis82.2146.543.8-166.617.9000112.1
698R27.5Very low27.5Very low206 Ų206133.4 Ų133.478%0.77771%0.707SS**  trans75.9135.7-175.9-52.6176.5-172.6158.96.1115.5
699N27.8Very low27.6Very low118 Ų118133.4 Ų133.463%0.63171%0.707SS**  cis-162.1157.9-12.3-128.344000110.5
700D28.4Very low27.9Very low123 Ų123132.7 Ų132.766%0.65870%0.703SS**  trans60.5141.5156.7-48.2-38.9000118.1
701S31.5Very low28.3Very low105 Ų105131 Ų13173%0.73470%0.702SS**  cis-147.31255.755.40000109.3
702F26.7Very low28.7Very low173 Ų173131.7 Ų131.776%0.75970%0.698SS**  90.7147.973.2-113.5-79.5000115.3
703T30Very low29.2Very low127 Ų127133.1 Ų133.178%0.77971%0.705SS**  trans72.1119.7179.767.30000116
704C27.1Very low29.5Very low113 Ų113132 Ų13276%0.76470%0.702SS**  cis110.4154.84.9-55.40000116
705D28.4Very low29.9Very low118 Ų118134.2 Ų134.263%0.63170%0.704SS**  trans67.4147-174.5-98-31.6000115.6R707D705-R707 IonicContact OD1-CZ 3.71Å; D705-R707 IonicContact OD1-NE 3.33Å; D705-R707 PolarHBondContact OD1-NE 3.44Å; D705-R707 IonicContact OD1-NH2 3.47Å; D705-R707 PolarHBondContact OD1-NH2 3.02Å; D705-R707 IonicContact OD2-CZ 2.69Å; D705-R707 IonicContact OD2-NE 2.69Å; D705-R707 IonicContact OD2-NH2 3.61Å; D705-R707 PolarHBondContact OD2-NH2 3.09Å
706S35Very low30Very low106 Ų106132.5 Ų132.574%0.74170%0.703SS**  cis-160.1168.11.352.50000110.1
707R29.5Very low30.2Very low181 Ų181132.8 Ų132.868%0.68371%0.71SS**  cis-173.1150.3-23.8-97.9174.2-153.7-176.69.4106.9D705D705-R707 IonicContact OD1-CZ 3.71Å; D705-R707 IonicContact OD1-NE 3.33Å; D705-R707 PolarHBondContact OD1-NE 3.44Å; D705-R707 IonicContact OD1-NH2 3.47Å; D705-R707 PolarHBondContact OD1-NH2 3.02Å; D705-R707 IonicContact OD2-CZ 2.69Å; D705-R707 IonicContact OD2-NE 2.69Å; D705-R707 IonicContact OD2-NH2 3.61Å; D705-R707 PolarHBondContact OD2-NH2 3.09Å
708I30.9Very low30.5Very low140 Ų140130.4 Ų130.472%0.71871%0.714SS**  trans62.7129.9145.7-67.7167.1000116.6
709N29.1Very low30.6Very low130 Ų130128.9 Ų128.970%0.69572%0.716SS**  cis-160178.34.9-1112.9000107.5
710L31.4Very low30.6Very low119 Ų119130 Ų13062%0.62372%0.72SS**  cis-135.2-126.13.9-132.1160.9000107.7I712L710-I712 HydrophobicContact CD2-CD1 4Å; L710-I712 HydrophobicContact CD2-CG1 4.27Å
711H32.6Very low31Very low165 Ų165129.6 Ų129.676%0.76472%0.724SS**  cis-143.8176.5-5.4-151.5-88.8000110.9
712I33.6Very low30.9Very low105 Ų105129.7 Ų129.754%0.53873%0.725SS.*  trans-136.2159.2-166.4-64.3162.1000107.6L710L710-I712 HydrophobicContact CD2-CD1 4Å; L710-I712 HydrophobicContact CD2-CG1 4.27Å
713P34.9Very low31.1Very low114 Ų114126.2 Ų126.274%0.7472%0.722SS**  cis-120.5-167.83.71314.2000113
714N31Very low31.1Very low131 Ų131125 Ų12570%0.70172%0.719SS**  cis-177.8-176.2-37.1-90.7-14.6000106.7
715I34.1Very low31.4Very low152 Ų152127.6 Ų127.678%0.77972%0.722SS**  trans79.796.6165.5-48.3-179.3000112.8
716C28.6Very low31.6Very low106 Ų106129 Ų12972%0.71673%0.728SS**  74.4140.160.1-58.90000113.2
717T29.9Very low31.5Very low137 Ų137131.9 Ų131.984%0.8473%0.73SS**  cis-166.1149.4-5.413.90000110.7
718G32.3Very low31.8Very low70 Ų70128.1 Ų128.172%0.72273%0.729SS**  trans79.2174.4154.600000117.8
719Q29.1Very low31.9Very low174 Ų174128.3 Ų128.381%0.81373%0.73SS**  cis-169.6135.8-22.3-123.7-176.5-10.700109.9
720I28.9Very low32.2Very low142 Ų142129.4 Ų129.473%0.72873%0.734SS**  trans66.2135.3148.9-64.2161.1000119
721P36.5Very low32.3Very low113 Ų113129.1 Ų129.173%0.73474%0.739SS**  trans-101.2171.4177.540.3-36.5000113.9
722S29.2Very low32.3Very low107 Ų107124.5 Ų124.575%0.74873%0.73SS**  trans-177.2136.5141.936.60000117.4
723S30Very low32.1Very low100 Ų100128.8 Ų128.870%0.69975%0.745SS**  trans72.5150138.579.20000122.8
724S31.7Very low31.9Very low103 Ų103127.4 Ų127.472%0.7274%0.738SS**  trans73.4146.7154.5-49.50000115.6
725M31.7Very low31.8Very low166 Ų166126.8 Ų126.882%0.81874%0.739SS**  cis-160.1-179.1-6.5-89.2-89-170.400105.5
726L33.1Very low31.9Very low148 Ų148124.3 Ų124.378%0.77574%0.735SS**  cis-156.2-1705.3-133.8171.4000109.6
727H32.5Very low32Very low166 Ų166126.9 Ų126.977%0.76974%0.742SS**  trans-84.8-170165.2-95.7-118.9000112.5
728P37.1Very low32.3Very low103 Ų103123.4 Ų123.467%0.66973%0.733SS**  cis-122.5-161.2-41.426.7-4.7000111.1
729I33.3Very low32.2Very low143 Ų143127.4 Ų127.473%0.73374%0.737SS**  -175.3157.667.3-79.7177.4000110.3
730I33.8Very low32.2Very low154 Ų154124.2 Ų124.279%0.7973%0.73SS**  trans-124.8136.9168.2-57.4165000109.2A732I730-A732 HydrophobicContact CG2-CB 4.45Å
731P35.2Very low32.2Very low112 Ų112125 Ų12573%0.72774%0.735SS**  -128.9143.31206.115.7000111.1
732A30.9Very low32Very low69 Ų69126.8 Ų126.857%0.5774%0.736SS**  cis94154.129.100000114.7I730I730-A732 HydrophobicContact CG2-CB 4.45Å
733F30.9Very low31.8Very low195 Ų195132.1 Ų132.186%0.85574%0.74SS**  trans75.8141.6172.2-60.6-70.2000117.5
734S29.7Very low31.7Very low84 Ų84132.2 Ų132.259%0.58774%0.741SS**  cis-159.3138.7-15-152.40000114.5
735T29.7Very low31.7Very low119 Ų119133 Ų13373%0.7374%0.741SS**  trans41.4145.5138.257.50000124.2
736S35.3Very low31.7Very low100 Ų100130.3 Ų130.370%0.69973%0.73SS**  trans101.2146.2137.781.60000118.4
737N31.9Very low31.7Very low160 Ų160129.8 Ų129.886%0.85672%0.724SS**  cis-161.5152-25.6-103-18.6000108.8
738G34.9Very low31.6Very low63 Ų63131.5 Ų131.565%0.64973%0.729SS**  trans130.5108.9-176.200000110.1
739L30Very low31.3Very low154 Ų154129.9 Ų129.981%0.80673%0.731SS**  cis59.1123.635-45.1177.4000111.2
740T30.5Very low31.1Very low108 Ų108131 Ų13166%0.66374%0.739SS**  cis-167.6149.27.11.20000111
741L28.9Very low31Very low158 Ų158127.9 Ų127.983%0.82774%0.736SS**  trans65.2150.2155.4-58.3162.3000115.1
742I31.5Very low30.8Very low151 Ų151127.2 Ų127.277%0.77473%0.734SS**  cis-136.3112.51.8-61.3173.8000104.1
743R25.9Very low30.8Very low218 Ų218134.4 Ų134.482%0.82375%0.748SS**  57.810969.9-164.4-178.3-168.1169.35.9115.4
744S27.6Very low30.6Very low103 Ų103130.2 Ų130.272%0.7274%0.74SS**  trans62.4144.6164.763.20000115.5
745T31.7Very low30.5Very low118 Ų118134.4 Ų134.472%0.72476%0.755SS**  cis-147.5161.314.744.90000108.3
746N31.2Very low30.6Very low110 Ų110132.4 Ų132.459%0.58875%0.751SS**  cis-161.6174.1-4.6-110.822.3000109.9
747E33Very low30.2Very low137 Ų137134.3 Ų134.364%0.6476%0.759SS**  trans30.8117.3157.3-73.286.4-107.700120.5
748F31.4Very low30.1Very low202 Ų202132.4 Ų132.489%0.88675%0.752SS**  54.3106.789.2-70.8-71.1000112.8
749G29.5Very low29.7Very low69 Ų69139.4 Ų139.471%0.71176%0.759SS**  97.3124.787.800000108.6
750D30.4Very low29.5Very low168 Ų168137.8 Ų137.890%0.89876%0.759SS**  cis-120146.744.7-71.1-48.2000116.3
751A31.3Very low29.4Very low88 Ų88138.1 Ų138.173%0.72776%0.756SS**  trans-84.7138.8137.300000107
752S31.3Very low29.3Very low97 Ų97136.9 Ų136.968%0.67876%0.755SS**  -160.613888.770000114.1
753Y29.9Very low29.3Very low220 Ų220135.6 Ų135.686%0.86376%0.759SS**  trans51.885.4153.7-58-65.1000119.7
754P26.9Very low29.7Very low107 Ų107134.3 Ų134.370%0.69576%0.763SS**  trans-71.3178.8141.336.6-36.3000111.2
755L28Very low30.3Very low172 Ų172134.5 Ų134.590%0.90176%0.761SS**  trans76.9145.3176.5-51.7157.7000114.3
756A31.4Very low30.5Very low78 Ų78135 Ų13565%0.64577%0.767SS**  cis-133.1124.73.300000112.6V758A756-V758 HydrophobicContact CB-CG2 4.33Å; A756-V758 PolarHBondContact O-N 3.39Å
757T27.9Very low30.6Very low140 Ų140137.2 Ų137.286%0.85977%0.774SS**  trans-67.9100.3149.644.10000108.8R759T757-R759 PolarHBondContact O-N 3.42Å
758V28.2Very low30.4Very low119 Ų119137.1 Ų137.172%0.72178%0.777SS**  trans-80.695.8163.8-179.70000108.2A756 C760A756-V758 HydrophobicContact CB-CG2 4.33Å; A756-V758 PolarHBondContact O-N 3.39Å; V758-C760 PolarHBondContact O-N 2.66Å
759R26.5Very low30.5Very low210 Ų210132.5 Ų132.579%0.79277%0.77SS**  trans-69.8105159.1-91.2173.7149.6167.6-7.5108.1T757 I761T757-R759 PolarHBondContact O-N 3.42Å; R759-I761 HydrophobicContact CB-CD1 4.26Å; R759-I761 HydrophobicContact CB-CG1 4.27Å; R759-I761 HydrophobicContact CG-CD1 4.32Å
760C26.1Very low30.5Very low120 Ų120137.4 Ų137.481%0.81177%0.772SS**  trans-87.2107.3153.8-72.20000107.6V758V758-C760 PolarHBondContact O-N 2.66Å
761I29.3Very low30.3Very low116 Ų116136.9 Ų136.960%0.59577%0.765SS**  trans-102.9118.2176.1-76170.5000107.6R759R759-I761 HydrophobicContact CB-CD1 4.26Å; R759-I761 HydrophobicContact CB-CG1 4.27Å; R759-I761 HydrophobicContact CG-CD1 4.32Å
762T27Very low30.1Very low132 Ų132141.3 Ų141.381%0.8177%0.768SS**  trans39.8119.5158.5610000120.2
763S31Very low29.8Very low123 Ų123142.2 Ų142.286%0.8677%0.769SS**  trans-151.5143.9135.4590000110.1
764E33.7Very low29.8Very low192 Ų192140.1 Ų140.190%0.89777%0.769SS**  trans-87.5173-170.3-88.3174.8150.200113.9
765P40.6Very low29.7Very low106 Ų106145.1 Ų145.169%0.68877%0.774SS**  trans-97.9-171.5-16040.8-37.8000113.6
766P37.1Very low29.8Very low128 Ų128142.8 Ų142.883%0.83177%0.767SS**  trans-114.5154.5140.136.2-30.1000112.3
767E31.5Very low29.8Very low158 Ų158144.7 Ų144.774%0.73878%0.776SS**  trans-95.7172-178.3-55.9-178.9144.800113.5
768N30.6Very low30Very low134 Ų134141.5 Ų141.572%0.71777%0.771SS**  trans71.6144.3160.9-53.2-51.7000115.5
769S32.5Very low30.1Very low105 Ų105145.4 Ų145.473%0.73478%0.779SS**  cis-148.5148.429.739.10000116.1
770F29Very low30.5Very low172 Ų172140.6 Ų140.675%0.75478%0.777SS**  trans35.9105.1147.9-65.9-79.9000122.2
771E25.9Very low31Very low158 Ų158138.2 Ų138.274%0.73877%0.772SS**  33.2117.8105.6-175.9175.3-131.300119.5
772F28.2Very low31.7Very low181 Ų181138 Ų13879%0.79478%0.778SS**  -159.1144.6117.8-135.4-101.2000113.4M774F772-M774 HydrophobicContact CE1-CE 4.46Å
773T25.7Very low32.1Very low116 Ų116138.7 Ų138.771%0.71277%0.772SS**  trans-95145.3175.449.10000113
774M29.2Very low32.2Very low176 Ų176138.4 Ų138.487%0.86777%0.765SS**  trans-156158141-121.3172.6-76.400114F772F772-M774 HydrophobicContact CE1-CE 4.46Å
775R24.6Very low32.2Very low211 Ų211133.1 Ų133.180%0.79676%0.755SS**  trans-83164.9173-56.6169178.3161.3-1.9107.9
776T30.7Very low31.7Very low123 Ų123139.8 Ų139.876%0.75577%0.766SS**  cis-164.2160.549.146.40000114
777S30.2Very low31.4Very low119 Ų119138.4 Ų138.483%0.83276%0.759SS**  trans20.4138.9149.161.20000124.2
778G31.6Very low31.4Very low72 Ų72137.9 Ų137.974%0.74276%0.757SS**  142.787.2128.600000121.8
779F30.8Very low31.4Very low202 Ų202139.2 Ų139.289%0.88676%0.756SS**  trans49.1117.4140.3-88.8-93.4000125
780S36Very low31.2Very low109 Ų109140.8 Ų140.876%0.76276%0.755SS**  trans62135.5135.457.30000124.8
781G35.8Very low31.3Very low69 Ų69138.8 Ų138.871%0.71176%0.757SS**  trans-109.6-133.2160.400000111.6
782P43.5Very low31.6Very low111 Ų111137.1 Ų137.172%0.72176%0.758SS**  cis-141-173.4-23.937.3-16.5000114.9
783H35.6Very low31.9Very low148 Ų148133.6 Ų133.669%0.68575%0.753SS**  trans143131.1138.9-84.9-81000121.1
784T34.1Very low32.3Very low116 Ų116135.2 Ų135.271%0.71276%0.757SS**  trans65.3153.6142.753.70000123.5
785A32.3Very low32.2Very low81 Ų81131.5 Ų131.567%0.66974%0.744SS**  cis-173.6163.6-19.500000114.2
786R31.6Very low32.4Very low246 Ų246130.2 Ų130.293%0.92875%0.745SS**  trans65.6152.1166.5-71.7174.9167.6157.8-4.4116.9
787S30.2Very low32.3Very low99 Ų99128.8 Ų128.869%0.69274%0.74SS**  cis-171.8-166.9-14.452.90000108.3
788H32Very low32.2Very low147 Ų147130 Ų13068%0.68174%0.737SS**  cis-170.9165.27.2-139.7-65000111.2
789F29.4Very low32Very low162 Ų162131.4 Ų131.471%0.71174%0.735SS**  trans67114.2166.3-76-87.5000119.9
790I29.6Very low31.9Very low138 Ų138127.1 Ų127.171%0.70873%0.726SS**  73.5121.691.1-69.2-168.1000114.1
791T31.3Very low31.4Very low130 Ų130129.7 Ų129.780%0.79873%0.726SS**  -158.817969.6-26.50000114.1
792T31.1Very low31Very low124 Ų124130.7 Ų130.776%0.76172%0.722SS**  trans-120-170.4-17148.50000112.5
793P35.8Very low30.3Very low107 Ų107131.4 Ų131.470%0.69572%0.724SS**  -130.9-137.6-51.538.8-20.4000111.7
794L32.3Very low29.8Very low149 Ų149131.1 Ų131.178%0.7873%0.727SS**  trans95.5142168.8-55.4-179.8000116.8
795T27.7Very low29.5Very low99 Ų99132 Ų13261%0.60773%0.727SS**  cis-176.9169.1-43.8230000108.8
796F28.8Very low29.4Very low184 Ų184134 Ų13481%0.80773%0.726SS**  trans75.8130.8177.2-57.7-85.5000114.4
797S28.5Very low29.1Very low93 Ų93128.7 Ų128.765%0.6572%0.716SS**  cis80138.641.8-67.10000113
798N28.1Very low29Very low144 Ų144131.7 Ų131.777%0.7772%0.724SS**  cis-157.2177.61.5-108-0.1000109.7
799S27.1Very low28.8Very low101 Ų101134.2 Ų134.271%0.70673%0.734SS**  trans19.9150137-132.70000119.8
800V29Very low28.7Very low113 Ų113132 Ų13269%0.68574%0.739SS**  -152.9159.152.3179.90000112.1
801E26.5Very low28.8Very low163 Ų163131.6 Ų131.676%0.76274%0.743SS**  trans-41.6161.6162.5-50.8144.4106.700114.6
802S27.7Very low29.1Very low90 Ų90130.3 Ų130.363%0.62974%0.736SS**  160.9125.1108.8-74.40000113.9
803T27Very low29.1Very low125 Ų125131.4 Ų131.477%0.76774%0.736SS**  trans62.1158.2140.364.70000119.4
804L26.3Very low29.1Very low143 Ų143133.4 Ų133.475%0.74974%0.741SS**  cis-163.9164-20.2-109.9169000107.9
805L28.2Very low29.3Very low135 Ų135131.6 Ų131.671%0.70774%0.738SS**  trans72.3135153.9-69156.2000121.1
806N28.7Very low29.6Very low123 Ų123131.6 Ų131.666%0.65874%0.742SS**  trans7492.5143.1-61.1-10.5000121.9
807N26.5Very low30Very low134 Ų134130.9 Ų130.972%0.71774%0.741SS**  34.5119.8108.9-50.5-18.4000119.2
808N28.2Very low30.3Very low162 Ų162134.8 Ų134.887%0.86674%0.743SS**  -179.2164.299.3-90.3-40.3000114.1
809F27.2Very low30.7Very low199 Ų199133.5 Ų133.587%0.87373%0.732SS**  trans-82.1152.2-179.2-88.5-117.6000114.1
810S26.3Very low30.9Very low117 Ų117136.3 Ų136.382%0.81873%0.734SS**  176.5170.4115.9-76.20000114.5
811T31.9Very low31.1Very low129 Ų129135.6 Ų135.679%0.79173%0.734SS**  trans-124.9-153.6-172.357.40000110.2
812P37.2Very low31.2Very low102 Ų102132.9 Ų132.966%0.66273%0.733SS**  cis-141.1-159.5-18.426.21.4000115.4
813I31.5Very low31.4Very low148 Ų148136.6 Ų136.676%0.75974%0.744SS**  trans106.2108145.7-54.2-176.7000122.4
814N35.9Very low31.7Very low148 Ų148139.1 Ų139.179%0.79175%0.746SS**  39.6-171.1111.6-119.51.3000122.4
815P37.6Very low32.5Very low112 Ų112136.5 Ų136.573%0.72774%0.738SS**  cis-103.3-160.9-2.545.8-36.4000113.2
816S34.2Very low32.5Very low98 Ų98136.3 Ų136.369%0.68574%0.738SS**  cis-164.1-172.99.268.80000108.3
817H36.3Very low32.5Very low169 Ų169136.7 Ų136.778%0.78274%0.739SS**  cis-167.7-167.7-11.7-123-24.5000107.3
818Y34Very low32.8Very low176 Ų176135.8 Ų135.869%0.6974%0.738SS**  cis-145.6-100.66.4-163.9-141.4000115
819H36.6Very low33Very low117 Ų117133.6 Ų133.654%0.54273%0.731SS.*  trans-147.7177.3-157-87.8-159.1000110.6
820Q32.9Very low33Very low159 Ų159130 Ų13074%0.74373%0.725SS**  cis-177.7-177.6-10.8-99.8175.3-29.700106.6
821S32.1Very low33.2Very low98 Ų98128.5 Ų128.569%0.68572%0.72SS**  cis178.2168.9-29.472.90000107
822S29.9Very low33.1Very low106 Ų106128.3 Ų128.374%0.74172%0.719SS**  cis-174.4-158.8-17.653.90000109.7
823I31.7Very low32.9Very low168 Ų168131.2 Ų131.286%0.86272%0.723SS**  trans100.5141.7168.5-60.5174.3000119.2
824H32Very low32.7Very low178 Ų178129.5 Ų129.582%0.82472%0.72SS**  trans-115.8-167.1-172.6-124-39.1000109
825P43Very low32.1Very low89 Ų89127.2 Ų127.258%0.57872%0.721SS**  cis-136-154.8-21.427.6-1.1000112.3
826N28.2Very low31.7Very low131 Ų131126.5 Ų126.570%0.70173%0.725SS**  trans109121.9132.1-84.2-6000123.7
827L30.1Very low31.4Very low131 Ų131126.3 Ų126.369%0.68673%0.729SS**  88.2129130-101.578.2000123.1
828T32.1Very low30.9Very low114 Ų114125.2 Ų125.270%0.69973%0.734SS**  trans70.3142.9141.3490000119.8
829T31.4Very low30.6Very low117 Ų117121.2 Ų121.272%0.71874%0.738SS**  cis-156.3155.530.60000111.6
830V28.6Very low30.4Very low123 Ų123123.5 Ų123.575%0.74575%0.753SS**  trans49.8107.5139.9171.30000116.9
831A29.5Very low30.1Very low85 Ų85121 Ų12170%0.70276%0.759SS**  59.7140.470.300000113
832T30.3Very low29.9Very low125 Ų125120.1 Ų120.177%0.76776%0.758SS**  cis-133.5-168.68.2500000107.6
833E33.5Very low29.7Very low163 Ų163121.7 Ų121.776%0.76276%0.758SS**  cis-128164.912.9-80.8-147.684.500110.4
834V26.1Very low29.5Very low113 Ų113121.3 Ų121.369%0.68575%0.752SS**  cis87.1121.628-179.10000114.8
835A24.1Very low29.3Very low99 Ų99117 Ų11782%0.81874%0.742SS**  trans69.999.5163.500000121.9
836A29.6Very low28.5Very low98 Ų98118.2 Ų118.281%0.8175%0.753SS**  trans-145.9108.5142.900000108.3
837A28Very low28.5Very low93 Ų93117 Ų11777%0.76975%0.754SS**  6891.390.400000112.6
838V26Very low28.4Very low147 Ų147115.2 Ų115.289%0.89175%0.753SS**  7086.967.3-175.80000114
839A27.9Very low28.2Very low92 Ų92115.8 Ų115.876%0.7676%0.756SS**  trans-172.7122.8156.400000109.8
840L30.6Very low28Very low165 Ų165117.1 Ų117.186%0.86476%0.757SS**  cis-124.3138-16-7687.2000109.5
841A28Very low28.1Very low105 Ų105117.6 Ų117.687%0.86876%0.756SS**  trans-139.782.1164.300000109.6
842A27Very low28Very low80 Ų80124.4 Ų124.466%0.66176%0.763SS**  trans-165.6143.2174.100000108.9
843N26.3Very low28Very low139 Ų139123.5 Ų123.574%0.74376%0.761SS**  cis-152.5147.2-6.7-112-17000111.7
844H27.5Very low28.1Very low160 Ų160121.8 Ų121.874%0.74176%0.762SS**  trans21.6114.5146.2-76.5-78000121.4
845S27Very low28.4Very low88 Ų88123.8 Ų123.862%0.61577%0.769SS**  24.6127.6115.863.20000120.3
846S27.2Very low29Very low115 Ų115123.9 Ų123.980%0.80476%0.761SS**  trans75.9107.9137.8-56.90000120.6
847S27.7Very low29.1Very low105 Ų105124 Ų12473%0.73476%0.755SS**  55.4112.5126.4-150.60000121
848S27.6Very low29.5Very low94 Ų94127.3 Ų127.366%0.65776%0.755SS**  63.4118.4129.867.70000121.9
849V28.1Very low29.6Very low126 Ų126126.4 Ų126.476%0.76474%0.744SS**  84.8120125.1171.80000119.5
850I27.9Very low29.7Very low145 Ų145126.3 Ų126.374%0.74474%0.738SS**  trans83.2111.9155.6-70.6165.5000120.9
851N29.4Very low29.7Very low133 Ų133127 Ų12771%0.71173%0.734SS**  trans31.2122.1139.8-60.5-32.5000124
852R29.1Very low30Very low227 Ų227129.4 Ų129.486%0.85773%0.732SS**  70.3135.4126.7-68.6-171-178.8-162.10.4122.2
853C29.8Very low30.8Very low106 Ų106130.3 Ų130.372%0.71673%0.731SS**  trans85.499.6144.4-70.40000121.6
854T34.6Very low31.3Very low128 Ų128130.3 Ų130.379%0.78573%0.731SS**  60103125.757.30000122.2
855D32.3Very low31.7Very low155 Ų155129 Ų12983%0.82973%0.729SS**  69.3169.2119.3-12227.8000119.7
856P37.8Very low32.1Very low100 Ų100131.6 Ų131.665%0.64974%0.735SS**  -134.4-175.7-103.841.6-23.5000116.8
857S32Very low32.6Very low100 Ų100132.5 Ų132.570%0.69974%0.735SS**  trans115150.7145.481.20000120.7
858Q35.3Very low33Very low163 Ų163130.5 Ų130.576%0.76273%0.731SS**  trans89.2110.5154.4-63.9-170.143.400124.4
859I28.8Very low33.4Very low128 Ų128133.6 Ų133.666%0.65674%0.739SS**  79.890.8116.6-64.2174.2000122.2
860S28.9Very low33.6Very low91 Ų91132.3 Ų132.364%0.63674%0.736SS**  73.5175.4119.679.70000126.4
861F31.9Very low34Very low178 Ų178137.5 Ų137.578%0.78175%0.746SS**  trans102.588.3159.9-72.7-66.4000123.6
862L33.2Very low34.3Very low156 Ų156134.8 Ų134.882%0.81775%0.75SS**  52.1160.5125-85.892.9000126.1
863P44.6Very low34.5Very low99 Ų99129.8 Ų129.864%0.64375%0.75SS**  trans-117.6-167.1-172.945.5-33.5000114.6
864N36.4Very low35Very low140 Ų140130.5 Ų130.575%0.74976%0.755SS**  trans178157.5142.3-100.4-24.6000120.7
865N36.7Very low34.8Very low131 Ų131131.7 Ų131.770%0.70176%0.757SS**  trans75.5160145.9-65.2-4.2000125
866I35.4Very low35.3Very low144 Ų144129.1 Ų129.174%0.73875%0.749SS**  cis176.5168-47.6-98.8168.6000112.5
867V37.6Very low35.3Very low134 Ų134129.2 Ų129.281%0.81275%0.752SS**  trans84.1147.7173.3-161.10000117.7
868G36.3Very low35.5Very low62 Ų62133.6 Ų133.664%0.63976%0.759SS**  cis134.8166.6-5.600000114.3
869L34.7Very low35.6Very low159 Ų159130.9 Ų130.983%0.83276%0.758SS**  cis-172.5124.8-11.1-99164.3000114.2
870S33.6Very low36.2Very low100 Ų100129.5 Ų129.570%0.69976%0.757SS**  trans79.1162139.3-54.10000127
871R34.9Very low36.4Very low254 Ų254134.6 Ų134.696%0.95876%0.764SS**  trans99.3144.6157.5-57173.6178.7179.9-0.5119.3
872G35.9Very low36.5Very low76 Ų76134.9 Ų134.978%0.78477%0.765SS**  cis163.6142.9-18.100000118.7
873S33.9Very low36.7Very low122 Ų122132.1 Ų132.185%0.85376%0.757SS**  trans65.7122.3142.6-168.90000126
874S40.3Very low36.3Very low120 Ų120133 Ų13384%0.83976%0.762SS**  169.817512447.10000114.9
875N30.2Very low36.1Very low154 Ų154131.4 Ų131.482%0.82476%0.762SS**  trans-158.9-172.6-159.8-134.7-5.5000110.9
876P42.8Very low35.9Very low100 Ų100135 Ų13565%0.64977%0.772SS**  cis-136.6-169.2-35.139.3-20.3000114.9
877S37.3Very low35.7Very low103 Ų103133.8 Ų133.872%0.7277%0.773SS**  135.6149.4128.9730000121.9
878F36Very low35.4Very low191 Ų191132.3 Ų132.384%0.83877%0.769SS**  trans69.496.5162.8-71.6-77000125
879S37.7Very low35.1Very low107 Ų107133 Ų13375%0.74877%0.769SS**  41.8161.5112.1-70.60000124.8
880P41.2Very low35Very low99 Ų99131 Ų13164%0.64376%0.763SS**  cis-144.4-179.5-22.533.2-10000117.7
881Y34.5Very low34.8Very low198 Ų198132.3 Ų132.378%0.77677%0.769SS**  trans70.3137.9164.7-63.7-73.5000120.4
882F32.7Very low34.7Very low184 Ų184126.2 Ų126.281%0.80775%0.754SS**  cis-162.4176.4-25.8-126.8-137.4000109.7
883P38.7Very low34.6Very low98 Ų98128.3 Ų128.364%0.63675%0.754SS**  trans-126-145.1-140.150.1-37000112.2
884P35.5Very low34.4Very low117 Ų117129.1 Ų129.176%0.7675%0.748SS**  cis-115.7178.2-24.141.2-26.1000111.7
885S33Very low33.7Very low107 Ų107129.7 Ų129.775%0.74874%0.741SS**  cis-155.1131.932.342.60000115.2
886F30.9Very low33.8Very low206 Ų206128.7 Ų128.790%0.90474%0.743SS**  trans-124.5174.4153.7-97-84.2000104.9
887P32.3Very low33Very low118 Ų118130.7 Ų130.777%0.76675%0.747SS**  cis-144.6-174.728.944.3-24.2000117.2
888S30Very low32.7Very low104 Ų104137.7 Ų137.773%0.72776%0.758SS**  trans-80.2173.8161.754.40000113.7
889A30.7Very low32.2Very low76 Ų76132.8 Ų132.863%0.62875%0.748SS**  trans93.2104.6147.100000120.8
890T33.2Very low32Very low118 Ų118133.6 Ų133.672%0.72475%0.75SS**  trans72.6155.7147.471.90000117.1I892T890-I892 HydrophobicContact CG2-CG1 4.25Å
891P28.5Very low31.5Very low126 Ų126137 Ų13782%0.81876%0.758SS**  -10916367.236.3-37.7000115.9
892I32.8Very low31Very low126 Ų126135 Ų13565%0.64676%0.759SS**  trans-102.9138.9170.8-62164.4000108.8T890 L894T890-I892 HydrophobicContact CG2-CG1 4.25Å; I892-L894 HydrophobicContact CG2-CD2 4.5Å; I892-L894 HydrophobicContact CG2-CG 4.3Å
893P33.6Very low30.8Very low120 Ų120131.5 Ų131.578%0.77976%0.758SS**  trans-122.3105.414232.1-21000109.2
894L29.8Very low30.2Very low140 Ų140133.5 Ų133.573%0.73376%0.762SS**  61.185.279.5-62.7-177.7000113.5I892I892-L894 HydrophobicContact CG2-CD2 4.5Å; I892-L894 HydrophobicContact CG2-CG 4.3Å
895L26.3Very low29.9Very low132 Ų132136.1 Ų136.169%0.69177%0.768SS**  trans31.5137.5133.8-68.9161.8000119.3L897L895-L897 HydrophobicContact CB-CD1 4.21Å; L895-L897 HydrophobicContact CD1-CD1 3.96Å; L895-L897 HydrophobicContact CD2-CD1 4.26Å; L895-L897 HydrophobicContact CD2-CG 4.22Å; L895-L897 HydrophobicContact CG-CD1 4.38Å
896P32.6Very low29.6Very low132 Ų132134 Ų13486%0.85776%0.763SS**  -113.2139.8107.531.9-34.4000113.1
897L25.7Very low29.8Very low142 Ų142130 Ų13074%0.74376%0.76SS**  trans-80.5141.7172.5-62.581.7000110.8L895L895-L897 HydrophobicContact CB-CD1 4.21Å; L895-L897 HydrophobicContact CD1-CD1 3.96Å; L895-L897 HydrophobicContact CD2-CD1 4.26Å; L895-L897 HydrophobicContact CD2-CG 4.22Å; L895-L897 HydrophobicContact CG-CD1 4.38Å
898R30.8Very low29.6Very low250 Ų250129.6 Ų129.694%0.94376%0.76SS**  trans-156.5115135.8-118.3172-177.6-179.60.1112.9
899S26.2Very low29.8Very low89 Ų89130.7 Ų130.762%0.62276%0.763SS**  trans-74.3159.516657.20000111.4
900P32.8Very low29.9Very low123 Ų123134.5 Ų134.580%0.79977%0.772SS**  -117.4136.284.6-3.524.3000111.8
901Q30.2Very low29.7Very low171 Ų171133.1 Ų133.180%0.79977%0.772SS**  80.913063-72-73.3-5.900114.1
902L25Very low30.1Very low155 Ų155134.2 Ų134.281%0.81278%0.777SS**  trans-99.9141.6-174.6-83.7151.6000112.3
903S28.2Very low30.2Very low111 Ų111134.8 Ų134.878%0.77679%0.786SS**  trans-150.8117.5148.347.80000106.7
904I25.5Very low30.3Very low141 Ų141141 Ų14172%0.72379%0.794SS**  63.282.250.7-49179.9000112.2
905I30.3Very low30.8Very low172 Ų172136.6 Ų136.688%0.88278%0.782SS**  trans-161.1134.6134.5-81.3129.1000104.6
906G27.2Very low31.7Very low62 Ų62135.8 Ų135.864%0.63978%0.782SS**  cis140.992.4-5.500000112.3
907S33.5Very low32.2Very low121 Ų121135.9 Ų135.985%0.84678%0.776SS**  trans-165.8111.4162.1-84.90000113.5
908S29Very low33.5Very low111 Ų111132.9 Ų132.978%0.77676%0.764SS**  trans-1.9150.3142-41.90000118.8
909T33.7Very low34.1Very low127 Ų127126.4 Ų126.478%0.77975%0.747SS**  cis-155.3156.746.4420000116.1
910L32.5Very low35.2Very low156 Ų156127.3 Ų127.382%0.81774%0.744SS**  trans11.4123.7155.9-72.560.7000118.8
911A29.9Very low36.1Very low88 Ų88128.2 Ų128.273%0.72774%0.738SS**  cis75.9116.146.400000116.7
912T37.2Very low36.5Very low150 Ų150127.2 Ų127.292%0.9273%0.731SS**  trans-164.3147.8140.66.70000111.1
913T33.8Very low37.5Very low137 Ų137125 Ų12584%0.8472%0.72SS**  trans-96.7122.2-167.536.80000113.5
914R36.7Very low38.2Very low251 Ų251130.3 Ų130.395%0.94772%0.723SS**  trans-16567.1170.4-108.8168-162.8178.35.4112.5
915G40.3Very low39.1Very low47 Ų47130.7 Ų130.749%0.48573%0.725SS.*  trans-139.6-43.9-178.200000116.4N917 T918G915-N917 PolarHBondContact O-N 2.89Å; G915-T918 WeakPolarHBondContact O-CB 3.41Å; G915-T918 PolarHBondContact O-N 3.13Å; G915-T918 PolarHBondContact O-OG1 2.99Å
916V43.8Very low39.5Very low115 Ų115128.6 Ų128.670%0.69772%0.715SS**Hα-helixtrans-63.9-42.2-167.2-174.20000113.4T918 L919V916-T918 VanDerWaalsContact C-N 3.3Å; V916-T918 PolarHBondContact O-N 2.81Å; V916-L919 PolarHBondContact O-N 3.48Å
917N43.8Very low39.9Very low134 Ų134133.8 Ų133.872%0.71772%0.722SS**Hα-helixtrans-66.7-29.3178.1-79.5-8000113.3G915 L919 Q921G915-N917 PolarHBondContact O-N 2.89Å; N917-L919 VanDerWaalsContact C-N 3.3Å; N917-L919 PolarHBondContact O-N 3.32Å; N917-Q921 PolarHBondContact O-N 3.18Å
918T52.3Low40.1Very low80 Ų80137.1 Ų137.149%0.49172%0.724SS.*Hα-helixtrans-68.1-34.1179.7-31.30000111.4G915 V916 Q921 F922G915-T918 WeakPolarHBondContact O-CB 3.41Å; G915-T918 PolarHBondContact O-N 3.13Å; G915-T918 PolarHBondContact O-OG1 2.99Å; V916-T918 VanDerWaalsContact C-N 3.3Å; V916-T918 PolarHBondContact O-N 2.81Å; T918-Q921 PolarHBondContact O-N 3.47Å; T918-F922 PolarHBondContact O-N 2.93Å
919L44.3Very low40.3Very low113 Ų113143.4 Ų143.459%0.59273%0.731SS**Hα-helixtrans-71.6-42.2-178-153.4157.2000111.2V916 N917 Q921 F922 L923V916-L919 PolarHBondContact O-N 3.48Å; N917-L919 VanDerWaalsContact C-N 3.3Å; N917-L919 PolarHBondContact O-N 3.32Å; L919-Q921 VanDerWaalsContact C-N 3.25Å; L919-Q921 PolarHBondContact O-N 2.85Å; L919-F922 PolarHBondContact O-N 3.42Å; L919-L923 HydrophobicContact CD2-CD1 3.96Å; L919-L923 HydrophobicContact CD2-CG 4.44Å; L919-L923 PolarHBondContact O-N 3.32Å
920L48.6Very low40.2Very low109 Ų109142.9 Ų142.957%0.57173%0.729SS**Hα-helixtrans-64.3-27.2171.4-77.3166.2000113.4
921Q51.5Low40Very low142 Ų142142.4 Ų142.466%0.66473%0.728SS**Hα-helixtrans-78.6-32.5175.8-153166.622.600112N917 T918 L919N917-Q921 PolarHBondContact O-N 3.18Å; T918-Q921 PolarHBondContact O-N 3.47Å; L919-Q921 VanDerWaalsContact C-N 3.25Å; L919-Q921 PolarHBondContact O-N 2.85Å
922F39.6Very low40.2Very low150 Ų150143.4 Ų143.466%0.65873%0.729SS**Hα-helixtrans-65.8-44.4174.3-125.2-94.8000112.4T918 L919 R924 L925T918-F922 PolarHBondContact O-N 2.93Å; L919-F922 PolarHBondContact O-N 3.42Å; F922-R924 PolarHBondContact O-N 3.2Å; F922-L925 PolarHBondContact O-N 3.35Å; F922-L925 VanDerWaalsContact O-N 3.15Å
923L45Very low39.7Very low109 Ų109143 Ų14357%0.57171%0.712SS**Hα-helixtrans-64.8-20.7-178.8-69.5171.3000113.9L919L919-L923 HydrophobicContact CD2-CD1 3.96Å; L919-L923 HydrophobicContact CD2-CG 4.44Å; L919-L923 PolarHBondContact O-N 3.32Å
924R43.3Very low39.6Very low222 Ų222140 Ų14084%0.83870%0.701SS**THydrogen-bonded Turntrans-81-14.1175.6-80.3-175.4170.2167.5-1.3114.9F922F922-R924 PolarHBondContact O-N 3.2Å
925L44Very low39.2Very low148 Ų148136.1 Ų136.178%0.77570%0.698SS**SBendtrans-91.7-9.4-176.2-81.3164.7000114.5F922 H927F922-L925 PolarHBondContact O-N 3.35Å; F922-L925 VanDerWaalsContact O-N 3.15Å; L925-H927 VanDerWaalsContact C-N 3.32Å; L925-H927 PolarHBondContact O-N 2.78Å
926I39.5Very low38.9Very low129 Ų129139.9 Ų139.966%0.66272%0.715SS**SBendtrans-82.8-9.2-173.7-63.5172.9000112.3
927H35Very low38.1Very low170 Ų170143.6 Ų143.679%0.78772%0.717SS**  trans-113.332.3-159.8-130.6-72000116.9L925L925-H927 VanDerWaalsContact C-N 3.32Å; L925-H927 PolarHBondContact O-N 2.78Å
928Q37.5Very low37.4Very low191 Ų191145.5 Ų145.589%0.89372%0.716SS**  trans-132.1103.6173.2-68.3-168.2-10.800114.1
929R33.3Very low36.3Very low243 Ų243147.1 Ų147.192%0.91773%0.727SS**  trans-8.9165.5154.4-61.6178.9179178.3-1.2119.8
930P33.3Very low35.5Very low116 Ų116147.8 Ų147.875%0.75374%0.741SS**  cis-138.7-173.2-35.839.9-21.7000113.4
931D27.9Very low34.5Very low146 Ų146147.3 Ų147.378%0.78175%0.753SS**  trans-78.6155.5-173.4-47.3-86.1000117.3
932S32.6Very low33.3Very low109 Ų109149.4 Ų149.476%0.76277%0.765SS**  trans-170.8108152-87.60000117.5
933Y28.5Very low32.8Very low141 Ų141149 Ų14955%0.55378%0.775SS**  trans55.8101.7136.1-69-75000125.8R1081 N1082Y933-R1081 PolarHBondContact O-NH2 2.99Å; Y933-N1082 WeakPolarHBondContact CE1-OD1 3.45Å; Y933-N1082 PolarHBondContact OH-ND2 3.31Å; Y933-N1082 VanDerWaalsContact OH-ND2 3.16Å
934A30.6Very low31.9Very low74 Ų74148.5 Ų148.561%0.61279%0.787SS**  75.1129.5115.300000123.1R1081A934-R1081 PolarHBondContact O-NH2 3Å; A934-R1081 VanDerWaalsContact O-NH2 3.14Å
935L29.2Very low31.3Very low170 Ų170144.7 Ų144.789%0.8979%0.789SS**  trans-80.3161.1170.1-66164.2000113.5
936P32.9Very low30.5Very low127 Ų127142.7 Ų142.783%0.82579%0.794SS**  trans-103.8160.516237.8-30.3000113.4
937Y27.9Very low30.2Very low192 Ų192140.3 Ų140.375%0.75380%0.801SS**  trans-117.2-170-179-152.9-105.6000111.4
938Y28.7Very low30.1Very low175 Ų175136.3 Ų136.369%0.68681%0.805SS**  trans73.5161170.1-73.8-63000119.2
939P30.1Very low29.8Very low113 Ų113132 Ų13273%0.73480%0.796SS**  cis-127.7164.1-16.630-11.2000115.3
940S26Very low29.6Very low127 Ų127126.9 Ų126.989%0.88879%0.787SS**  trans-66.8137.7167.1-50.50000112.4
941A28.2Very low29.4Very low99 Ų99129.7 Ų129.782%0.81879%0.79SS**  trans-143.2144.4166.600000110.8
942M25.4Very low29.5Very low187 Ų187127.9 Ų127.992%0.92179%0.789SS**  trans-79.9148.5-172.9-57.5170.5-172.700112.3
943T29.6Very low29.2Very low141 Ų141128.5 Ų128.587%0.86579%0.788SS**  trans-139.3116.2148.9-64.10000107.8
944A25.9Very low29.1Very low99 Ų99127.3 Ų127.382%0.81880%0.795SS**  trans-87.9136-17700000111.2
945T31.7Very low28.8Very low142 Ų142129.3 Ų129.387%0.87180%0.799SS**  trans-119.4122.5159.5-52.70000107.3
946A27Very low28.7Very low106 Ų106126.3 Ų126.388%0.87679%0.792SS**  trans-82.7141.9-177.600000111.8
947G33.4Very low28.4Very low79 Ų79124.3 Ų124.381%0.81479%0.787SS**  trans166.3152.7168.500000114.2
948G32Very low28.3Very low85 Ų85120.6 Ų120.688%0.87679%0.789SS**  trans78.869.1157.700000117.5
949S30.7Very low28.3Very low101 Ų101116.8 Ų116.871%0.70679%0.793SS**  trans-77.3144.9161.458.20000112.2
950N29.2Very low28.1Very low136 Ų136114.4 Ų114.473%0.72779%0.79SS**  trans79.9132.9150.3-62.5-13.9000121.1
951Q29.8Very low28.3Very low174 Ų174113.1 Ų113.181%0.81377%0.772SS**  trans73108.2143.2-69.2167.613.500120.5
952S29.8Very low28.4Very low108 Ų108111.9 Ų111.976%0.75576%0.761SS**  trans-136.863.3137.3680000110.6V954S952-V954 PolarHBondContact O-N 2.8Å
953V26.7Very low28.8Very low122 Ų122108.8 Ų108.874%0.73975%0.749SS**  trans-67.5110.9157.6169.20000106.1V955V953-V955 HydrophobicContact CG1-CG2 4.02Å; V953-V955 PolarHBondContact O-N 2.84Å
954V26Very low28.9Very low116 Ų116104.8 Ų104.870%0.70374%0.736SS**  trans-81.273.7-176.8-173.40000110.1S952 S956S952-V954 PolarHBondContact O-N 2.8Å; V954-S956 VanDerWaalsContact CG1-OG 3.3Å; V954-S956 WeakPolarHBondContact CG1-OG 3.23Å; V954-S956 PolarHBondContact O-N 2.95Å
955V24Very low29.1Very low116 Ų116105.7 Ų105.770%0.70373%0.731SS**  trans-87.288.8158.1171.30000107.3V953 A957V953-V955 HydrophobicContact CG1-CG2 4.02Å; V953-V955 PolarHBondContact O-N 2.84Å; V955-A957 VanDerWaalsContact C-N 3.27Å; V955-A957 HydrophobicContact CG1-CB 3.9Å; V955-A957 PolarHBondContact O-N 3.3Å
956S28Very low28.9Very low107 Ų107109.9 Ų109.975%0.74873%0.731SS**  trans-80.672175-65.90000110.8V954V954-S956 VanDerWaalsContact CG1-OG 3.3Å; V954-S956 WeakPolarHBondContact CG1-OG 3.23Å; V954-S956 PolarHBondContact O-N 2.95Å
957A26.9Very low29.1Very low85 Ų85111.2 Ų111.270%0.70273%0.728SS**  trans-10189.5-178.800000112.4V955V955-A957 VanDerWaalsContact C-N 3.27Å; V955-A957 HydrophobicContact CG1-CB 3.9Å; V955-A957 PolarHBondContact O-N 3.3Å
958S25.3Very low28.8Very low114 Ų114111.6 Ų111.680%0.79772%0.723SS**  trans-169.4139.6168.453.60000112.1
959A27.8Very low28.8Very low95 Ų95112.9 Ų112.979%0.78572%0.719SS**  cis-164.9146.4-1200000112.5
960G27Very low28.7Very low64 Ų64112.6 Ų112.666%0.6672%0.723SS**  trans85.7159.6150.600000117.3M1M1-G960 CarbonylContact O-C 2.84Å
961I29.7Very low28.8Very low100 Ų100112.8 Ų112.851%0.51373%0.728SS.*  cis-141.2147.50.4-61.488.6000109.4M1 H2M1-I961 CarbonylContact C-O 3.59Å; M1-I961 VanDerWaalsContact CA-O 3.28Å; M1-I961 WeakPolarHBondContact CA-O 3.4Å; M1-I961 HydrophobicContact CB-CB 4.08Å; M1-I961 HydrophobicContact CB-CD1 4.06Å; M1-I961 HydrophobicContact CE-CD1 4.17Å; M1-I961 HydrophobicContact CG-CB 4.44Å; M1-I961 HydrophobicContact CG-CD1 4.19Å; M1-I961 PolarHBondContact N-O 3.21Å; M1-I961 PolarHBondContact O-N 3.37Å; M1-I961 VanDerWaalsContact O-O 3.06Å; M1-I961 HydrophobicContact SD-CB 3.75Å; M1-I961 HydrophobicContact SD-CD1 4.13Å; M1-I961 HydrophobicContact SD-CG1 4.26Å; M1-I961 HydrophobicContact SD-CG2 4.08Å; H2-I961 PolarHBondContact N-O 2.77Å; H2-I961 VanDerWaalsContact N-O 3.1Å
962A29.9Very low28.8Very low72 Ų72110.3 Ų110.360%0.59573%0.726SS**  trans-58.7162.9-178.500000116.4M1M1-A962 PolarHBondContact N-O 3.43Å
963N34Very low29Very low123 Ų123111 Ų11166%0.65873%0.727SS**  trans171.873.6156.7-98.65.4000107.4H2H2-N963 HydrophobicContact CB-CB 3.79Å; H2-N963 PolarHBondContact CD2-N 3.48Å; H2-N963 VanDerWaalsContact CD2-N 3.33Å; H2-N963 PolarHBondContact CE1-O 3.28Å; H2-N963 VanDerWaalsContact CE1-O 3.23Å; H2-N963 PolarHBondContact ND1-O 3.29Å
964G32.3Very low29.3Very low57 Ų57110.3 Ų110.359%0.58873%0.725SS**  91.8154.286.500000111
965T30.7Very low29.2Very low117 Ų117112.5 Ų112.572%0.71873%0.732SS**  cis-159.3141.58.549.20000113
966R27.9Very low29.5Very low231 Ų231114.2 Ų114.287%0.87274%0.737SS**  trans66.2160.9149.8-61.4166.8-162.6-102.52.2114.7
967V29.6Very low29.4Very low133 Ų133114.4 Ų114.481%0.80674%0.738SS**  cis-136.4143.727.21730000112.2
968A28.4Very low29.4Very low88 Ų88117.7 Ų117.773%0.72774%0.738SS**  trans24.6145.915500000122.1
969S30.7Very low29.8Very low111 Ų111119.2 Ų119.278%0.77673%0.733SS**  cis-148.1150.321.3-72.90000113.8
970A28.5Very low29.9Very low96 Ų96120.8 Ų120.879%0.79374%0.735SS**  trans30.9137.313700000120.6
971V31Very low30.2Very low139 Ų139124.6 Ų124.684%0.84274%0.738SS**  cis-146.9165.618.6-179.20000110.4
972T30.4Very low30.3Very low123 Ų123125.7 Ų125.776%0.75575%0.75SS**  trans-128.7169.2-179.8440000112.3
973P33.9Very low30.8Very low122 Ų122127 Ų12779%0.79275%0.752SS**  cis-126.4-120.8-25.430.3-5.7000112.4
974P33Very low30.5Very low108 Ų108127.8 Ų127.870%0.70176%0.756SS**  trans-112.8178.2-139.439.7-21.6000116.7
975L24.9Very low30.3Very low161 Ų161133.1 Ų133.184%0.84377%0.765SS**  trans118160.9161.1-63173.7000116.4
976L29.6Very low30.2Very low153 Ų153131.9 Ų131.980%0.80177%0.767SS**  trans-58.7148-162.7-66.562000115.5
977S25.7Very low30.3Very low111 Ų111125.3 Ų125.378%0.77676%0.756SS**  trans-159.9125.713041.20000115.4
978H28.1Very low30.2Very low153 Ų153127.4 Ų127.471%0.70876%0.755SS**  trans28127.7141.7-61.9-71.4000124.6
979H33.8Very low30.2Very low147 Ų147129.9 Ų129.968%0.68176%0.755SS**  50.2136.8128-56.6-55.6000122.7
980P29.5Very low30.2Very low127 Ų127128.8 Ų128.883%0.82575%0.748SS**  trans-72.7128.8131.732.5-29000110
981I32.2Very low30.3Very low144 Ų144130 Ų13074%0.73874%0.741SS**  trans-82.7-170.7171.4-21.4-179.5000107.9
982V33.4Very low30.4Very low124 Ų124129.5 Ų129.575%0.75272%0.724SS**  cis-178.7171.543-120.30000106.5
983P39Very low30.5Very low99 Ų99126.5 Ų126.564%0.64371%0.706SS**  cis-129.2174.4-4028.8-6.2000111.2
984L28.2Very low30.5Very low140 Ų140124.7 Ų124.773%0.73369%0.687SS**  -171.5141.472.3-90.9172.6000115.7
985Q28.5Very low30.5Very low169 Ų169127.9 Ų127.979%0.7969%0.685SS**  trans74.4120.5142-85.4170.1-42.900123.9
986A28.6Very low30.8Very low91 Ų91125.4 Ų125.475%0.75267%0.67SS**  trans76.9132.9137.200000117.2
987S29.2Very low30.9Very low93 Ų93125.4 Ų125.465%0.6567%0.665SS**  cis-155145.822-93.90000113.1
988F27.4Very low31Very low176 Ų176125.8 Ų125.877%0.77266%0.657SS**  trans32.8138.3141.6-55.7-68.8000120.6
989L29.1Very low31.1Very low141 Ų141124.3 Ų124.374%0.73866%0.659SS**  cis-168.9157.610.9-111.2164000112.9
990S29.6Very low30.7Very low88 Ų88122.9 Ų122.962%0.61566%0.661SS**  trans67.9155.6145.2-67.40000121.5
991N32Very low30.6Very low121 Ų121124.6 Ų124.665%0.64766%0.658SS**  cis-178156.8-20.4-98.7-3.1000107.4
992Y32.1Very low30.4Very low128 Ų128122.9 Ų122.950%0.50265%0.65SS.*  cis-162.3-149-22.5-141.1-46000107.8I277I277-Y992 HydrophobicContact CB-CD2 4.1Å; I277-Y992 HydrophobicContact CB-CE2 3.86Å; I277-Y992 HydrophobicContact CG1-CD2 3.45Å; I277-Y992 VanDerWaalsContact CG1-CD2 3.45Å; I277-Y992 HydrophobicContact CG1-CE2 3.61Å; I277-Y992 HydrophobicContact CG1-CG 4.2Å; I277-Y992 HydrophobicContact CG2-CD2 4.31Å; I277-Y992 HydrophobicContact CG2-CE2 3.6Å
993T33.7Very low30.2Very low61 Ų61122.3 Ų122.337%0.37464%0.643SS.*  trans-97.6-160.3-172.942.90000112.4I275 I276I275-T993 CarbonylContact C-O 3Å; I275-T993 VanDerWaalsContact CA-O 3.32Å; I275-T993 WeakPolarHBondContact CA-O 3.34Å; I275-T993 PolarHBondContact N-O 2.89Å; I276-T993 PolarHBondContact N-O 3.37Å
994E33.3Very low29.7Very low84 Ų84123.6 Ų123.639%0.39365%0.645SS.*  cis-157.5-168.411.5-141.9148.5-8300110.1I275I275-E994 PolarHBondContact O-N 3.33Å
995R32.6Very low29.7Very low175 Ų175122.7 Ų122.766%0.6664%0.64SS**  cis-148.4-110.14.8-165.2149.9178.4100.121.7116.8
996E31.9Very low29.6Very low109 Ų109122.6 Ų122.651%0.50964%0.637SS.*  trans-145.7166.4-155.3-66.6158.2160.500112
997H31.1Very low29.6Very low153 Ų153124 Ų12471%0.70863%0.631SS**  -169139.775.9-103-110.1000109.3
998I27.9Very low29.7Very low118 Ų118125.3 Ų125.361%0.60563%0.63SS**  81.8143.461.7-61.7169.4000114.6
999T29.5Very low29.8Very low123 Ų123122.2 Ų122.276%0.75562%0.622SS**  trans85.7159.9-179.773.30000118.2
1000T27Very low30Very low117 Ų117121.9 Ų121.972%0.71862%0.616SS**  -172.2162.4-7729.10000109.9
1001Q27Very low30Very low162 Ų162124.8 Ų124.876%0.75762%0.62SS**  trans78.7143.3155.5-90.1-172.2-95.300121.2
1002D27.1Very low29.8Very low108 Ų108124.2 Ų124.258%0.57862%0.621SS**  trans92.4128.1133.3-83.730.4000123.9
1003N30.3Very low29.5Very low113 Ų113123 Ų12360%0.60463%0.631SS**  trans76.1100.4134-65.3-24000120.3
1004N28Very low29.3Very low126 Ų126127.6 Ų127.667%0.67465%0.652SS**  106.1130.7100.5-85.9-21.3000121.2
1005L27.6Very low29Very low120 Ų120128.8 Ų128.863%0.62867%0.67SS**  trans78.2117.7133-66.7173.4000121.4
1006F26.7Very low29.2Very low167 Ų167126 Ų12673%0.73267%0.674SS**  106.2134.1114.1-88.7-27.6000121.7
1007I29.3Very low28.9Very low122 Ų122125.8 Ų125.863%0.62669%0.685SS**  trans86.889.9132.6-73.1168.8000118.4
1008N30.3Very low28.8Very low119 Ų119126.5 Ų126.564%0.63669%0.692SS**  101.6127.5109.5-79.414.4000121.6
1009N30Very low28.7Very low111 Ų111123.9 Ų123.959%0.59469%0.694SS**  78.3143.5127.4-66.18.9000119.3
1010Q32.4Very low28.6Very low134 Ų134125.5 Ų125.563%0.62670%0.696SS**  cis-161.4151.2-3.8-122.8163.1-32.800112
1011Q30Very low28.8Very low150 Ų150127.6 Ų127.670%0.70170%0.698SS**  trans54.4145.4136.8-80164.7-29.700122
1012T27.7Very low28.8Very low109 Ų109125.4 Ų125.467%0.66970%0.698SS**  cis-174.1146.4-21.113.70000108.8
1013S25.9Very low29.1Very low102 Ų102127.7 Ų127.771%0.71371%0.709SS**  trans50157.6140.374.50000121.5
1014I30.7Very low29.2Very low157 Ų157128.4 Ų128.481%0.80572%0.718SS**  cis-139165.124.5-70.4174.8000110.7
1015S26.5Very low29.4Very low109 Ų109127.6 Ų127.676%0.76272%0.722SS**  trans-70.1-167.5-173.8-22.40000115.9
1016P36.5Very low29.9Very low117 Ų117126.1 Ų126.176%0.7673%0.726SS**  trans-124.8-173.5-135.543.7-26.6000115.6
1017S26.5Very low30.4Very low104 Ų104124 Ų12473%0.72773%0.728SS**  trans-174.8143.4146.8-87.60000115.1
1018I27.4Very low30.7Very low168 Ų168121.6 Ų121.686%0.86273%0.726SS**  trans56.9128.5145.5-57.6162.9000119.8
1019G26.7Very low31.2Very low63 Ų63119.6 Ų119.665%0.64973%0.726SS**  trans141.187.1141.100000121.1
1020I27.9Very low31.8Very low157 Ų157120.7 Ų120.781%0.80573%0.731SS**  67.6119.1121.8-69.2172.9000120.9
1021Q30.5Very low32.1Very low161 Ų161117.4 Ų117.475%0.75273%0.727SS**  trans73.5115150.5-60.9-82.63.800121.8
1022P27.2Very low32.8Very low117 Ų117115.4 Ų115.476%0.7672%0.724SS**PPolyproline II helixtrans-99.1117.1156.634.6-25.6000112
1023I33.8Very low33.4Very low155 Ų155113.5 Ų113.580%0.79572%0.72SS**PPolyproline II helixtrans-79.9127.2-178.6-60.9175.1000111.3
1024T32.5Very low34.4Very low129 Ų129114.7 Ų114.779%0.79172%0.716SS**PPolyproline II helixtrans-75.1129.6179.345.40000112.1
1025S31.5Very low34.8Very low109 Ų109110.4 Ų110.476%0.76270%0.704SS**  trans-132.645.1-173430000113.3
1026A37.2Very low35.6Very low88 Ų88108.4 Ų108.473%0.72769%0.694SS**  trans-91.8-17.4178.100000114.5
1027T37.3Very low35.9Very low123 Ų123106.6 Ų106.676%0.75569%0.688SS**SBendtrans-83.6-20.6-170.244.70000114.9A1029T1027-A1029 PolarHBondContact O-N 2.97Å
1028A36.4Very low36.6Very low71 Ų71106.7 Ų106.759%0.58768%0.684SS**Hα-helixtrans-72.5-27.9-175.800000114.3
1029A40.3Very low37.4Very low78 Ų78102.5 Ų102.565%0.64568%0.675SS**Hα-helixtrans-72.8-35.8-174.100000113.5T1027T1027-A1029 PolarHBondContact O-N 2.97Å
1030L43.6Very low38Very low133 Ų133107.1 Ų107.170%0.69668%0.684SS**Hα-helixtrans-71-34.7-178.6-120.883.7000112.7V1032 A1033 M1034L1030-V1032 VanDerWaalsContact C-N 3.33Å; L1030-V1032 PolarHBondContact O-N 2.78Å; L1030-A1033 PolarHBondContact O-N 2.99Å; L1030-M1034 WeakPolarHBondContact O-CG 3.16Å; L1030-M1034 PolarHBondContact O-N 2.74Å
1031A38.3Very low38.6Very low65 Ų65108 Ų10854%0.53769%0.685SS.*Hα-helixtrans-62.9-37.8-177.900000112.6A1035A1031-A1035 WeakPolarHBondContact O-CB 3.33Å; A1031-A1035 PolarHBondContact O-N 2.87Å; A1031-A1035 VanDerWaalsContact O-N 3.16Å
1032V43.7Very low39Very low108 Ų108108.7 Ų108.766%0.65569%0.688SS**Hα-helixtrans-72-35.7-179.6-177.90000111.7L1030 A1036L1030-V1032 VanDerWaalsContact C-N 3.33Å; L1030-V1032 PolarHBondContact O-N 2.78Å; V1032-A1036 PolarHBondContact O-N 3.32Å
1033A41.5Very low39.5Very low69 Ų69111.9 Ų111.957%0.5769%0.693SS**Hα-helixtrans-67.1-42.5176.500000112.3L1030 A1036L1030-A1033 PolarHBondContact O-N 2.99Å; A1033-A1036 PolarHBondContact O-N 3.05Å
1034M45.6Very low39.4Very low128 Ų128112.3 Ų112.363%0.63170%0.697SS**Hα-helixtrans-68.1-36.6178.6-67-69.6-106.300112.4L1030 A1036 A1037L1030-M1034 WeakPolarHBondContact O-CG 3.16Å; L1030-M1034 PolarHBondContact O-N 2.74Å; M1034-A1036 VanDerWaalsContact C-N 3.31Å; M1034-A1036 PolarHBondContact O-N 3.34Å; M1034-A1037 PolarHBondContact O-N 3.32Å
1035A40.9Very low39.6Very low66 Ų66115 Ų11555%0.54570%0.7SS.*Hα-helixtrans-63.5-33.3178.900000113.5A1031A1031-A1035 WeakPolarHBondContact O-CB 3.33Å; A1031-A1035 PolarHBondContact O-N 2.87Å; A1031-A1035 VanDerWaalsContact O-N 3.16Å
1036A42.7Very low39.7Very low67 Ų67120.6 Ų120.655%0.55470%0.704SS**Hα-helixtrans-70.8-32.1-179.300000113.4V1032 A1033 M1034V1032-A1036 PolarHBondContact O-N 3.32Å; A1033-A1036 PolarHBondContact O-N 3.05Å; M1034-A1036 VanDerWaalsContact C-N 3.31Å; M1034-A1036 PolarHBondContact O-N 3.34Å
1037A42.1Very low39.7Very low79 Ų79124.2 Ų124.265%0.65371%0.706SS**Hα-helixtrans-73.7-28.7-178.300000113.4M1034M1034-A1037 PolarHBondContact O-N 3.32Å
1038V41.6Very low39.4Very low106 Ų106123.3 Ų123.364%0.64270%0.704SS**Hα-helixtrans-81.3-19.8-176.7179.60000112.4L1040V1038-L1040 VanDerWaalsContact C-N 3.31Å; V1038-L1040 PolarHBondContact O-N 2.89Å
1039A43.5Very low39.2Very low81 Ų81124.4 Ų124.467%0.66971%0.708SS**THydrogen-bonded Turntrans-75.2-7.4-173.900000115.8
1040L39.2Very low39Very low159 Ų159125.3 Ų125.383%0.83271%0.71SS**THydrogen-bonded Turntrans-106.62.6-173.7-84.1166.5000115.6V1038V1038-L1040 VanDerWaalsContact C-N 3.31Å; V1038-L1040 PolarHBondContact O-N 2.89Å
1041Q40.5Very low38.5Very low177 Ų177126.6 Ų126.683%0.82772%0.717SS**SBendtrans-111.827-173.2-158.885.1-11.700113.8
1042Q39.4Very low38.1Very low174 Ų174127.2 Ų127.281%0.81372%0.722SS**  trans-127.837.3-173.6-68.3-161-0.700116.7
1043Q38.1Very low37.5Very low185 Ų185129.6 Ų129.686%0.86473%0.73SS**  trans-14193.4163.4-71.5-165.81.100112.7
1044N32.2Very low36.8Very low164 Ų164130.4 Ų130.488%0.87773%0.731SS**  trans-173.460.8150.2-103.6-40.7000114.7
1045H35.7Very low36.2Very low186 Ų186132.7 Ų132.786%0.86174%0.742SS**  trans-149.5105.4160.7-88.8-63.4000111.7
1046R34.5Very low35.6Very low226 Ų226136.4 Ų136.485%0.85375%0.752SS**  trans171.5151.6132.4-95164.2-167.1-164.43.8113.6
1047H36.7Very low35.1Very low164 Ų164139.4 Ų139.476%0.75976%0.764SS**  trans64.283.6163.2-55-52.1000121.1
1048S31.4Very low34.5Very low103 Ų103141.1 Ų141.172%0.7277%0.771SS**  55.1120.5104.2-153.70000121.6
1049S31.8Very low34.1Very low95 Ų95140.1 Ų140.166%0.66477%0.769SS**  trans56.4111.1134.765.20000120.9
1050S35.6Very low33.5Very low97 Ų97147.4 Ų147.468%0.67878%0.779SS**  161.313498.1-71.20000113.5
1051N33Very low33.3Very low160 Ų160146.9 Ų146.986%0.85678%0.782SS**  trans63.5152.6149-58.7-16.1000119.1
1052A31.1Very low32.9Very low77 Ų77142.6 Ų142.664%0.63678%0.777SS**  cis-164.4150.7-20.500000111.6
1053I30.8Very low32.8Very low159 Ų159140 Ų14082%0.81578%0.775SS**  trans58109.2141.7-61.8167.1000120.2
1054S27.1Very low32.6Very low85 Ų85138 Ų13859%0.59478%0.776SS**  46.4123.6129.4-159.10000122.8
1055M31.8Very low32.5Very low177 Ų177136.2 Ų136.287%0.87277%0.771SS**  -176.5117.9110-93.9177-17200108.2
1056L28.2Very low32.5Very low144 Ų144133 Ų13375%0.75477%0.766SS**  5698.175-69.6177.6000114.8
1057T32.1Very low32.4Very low130 Ų130126.5 Ų126.580%0.79876%0.756SS**  165.7152.7109.139.60000112.8
1058S30.9Very low32.2Very low115 Ų115126.2 Ų126.280%0.80476%0.758SS**  trans42.5148.8140-63.20000123.3
1059S31.5Very low32.1Very low85 Ų85126.7 Ų126.759%0.59476%0.759SS**  cis-176.8149.9-17-168.30000108.8
1060R30.9Very low31.8Very low234 Ų234127.6 Ų127.688%0.88376%0.76SS**  trans69.9161.1170.8-55.6151.1-159.5-148.70.8113
1061V35.6Very low31.8Very low147 Ų147128.7 Ų128.789%0.89177%0.765SS**  cis-130.5164.126.3173.80000112.2
1062A32.9Very low31.6Very low88 Ų88127.4 Ų127.473%0.72776%0.756SS**  trans-94.4171.8-17100000114.3
1063P36.7Very low31.6Very low120 Ų120131.1 Ų131.178%0.77977%0.765SS**  trans-100.3177.7-164.640.2-36.6000115.4
1064T34.8Very low31.5Very low142 Ų142131.1 Ų131.187%0.87176%0.761SS**  trans-131.8133172.353.10000111.9
1065T29Very low31.6Very low126 Ų126131 Ų13177%0.77377%0.766SS**  trans-125.5154.2-17950.50000112.4
1066P36.3Very low31.6Very low119 Ų119128.6 Ų128.677%0.77375%0.752SS**  trans-118.1126.5143.833.5-23.7000110.1
1067S31.9Very low31.6Very low90 Ų90127.8 Ų127.863%0.62975%0.748SS**  cis74.899.345.286.70000111.6
1068I32.1Very low31.4Very low157 Ų157129.5 Ų129.581%0.80574%0.741SS**  149.116089-88.5153.2000106.3
1069P29.8Very low31.3Very low113 Ų113132.6 Ų132.673%0.73474%0.736SS**  cis-120.7177.1-3.434-16.6000115.3
1070V26.6Very low31.2Very low114 Ų114134.1 Ų134.169%0.69174%0.744SS**  trans-136.5137.8162.8174.40000109.5I1072V1070-I1072 HydrophobicContact CG1-CG1 4.2Å; V1070-I1072 WeakPolarHBondContact O-CG1 3.12Å
1071P33.8Very low31.1Very low120 Ų120130.7 Ų130.778%0.77973%0.731SS**  trans-104.1116.1152.633.2-22.3000108.4
1072I30Very low31Very low133 Ų133127.2 Ų127.268%0.68271%0.708SS**  cis5911943.2-38.3179.5000113.3V1070V1070-I1072 HydrophobicContact CG1-CG1 4.2Å; V1070-I1072 WeakPolarHBondContact O-CG1 3.12Å
1073L29.8Very low30.9Very low156 Ų156129.3 Ų129.382%0.81771%0.711SS**  trans99.2135.4168.9-57.6177.4000115.2
1074H28.6Very low30.8Very low158 Ų158128.3 Ų128.373%0.73170%0.703SS**  cis169.2150.2-21.7-140.9-139.2000104.2
1075A30.3Very low31Very low84 Ų84125.4 Ų125.469%0.69469%0.685SS**  trans64.8150.2159.100000118.7
1076H30.6Very low31.3Very low125 Ų125123.3 Ų123.358%0.57967%0.672SS**  cis-172.2139.2-30.5-113.9-58000108.9
1077L29.7Very low31.5Very low128 Ų128124.8 Ų124.867%0.6767%0.668SS**  trans66.6131.6159-49.3159000114.5
1078Y28Very low31.9Very low166 Ų166127.1 Ų127.165%0.65167%0.669SS**  -165.1127.867.7-115.3-106.9000111.4
1079Y27.6Very low32Very low179 Ų179125.8 Ų125.870%0.70266%0.663SS**  trans60.7159.1149.8-74.9-119.7000120.4
1080P29.1Very low32.5Very low117 Ų117126.6 Ų126.676%0.7666%0.657SS**  cis-128.8170.4-4036.7-21.7000113.6
1081R30.5Very low33.2Very low162 Ų162125.1 Ų125.161%0.61165%0.645SS**  trans-85.1171.1167.6-77.5178.1167.6-179.5-9111.5Y933 A934Y933-R1081 PolarHBondContact O-NH2 2.99Å; A934-R1081 PolarHBondContact O-NH2 3Å; A934-R1081 VanDerWaalsContact O-NH2 3.14Å
1082N32.4Very low33.4Very low75 Ų75121.6 Ų121.640%0.40163%0.626SS.*  trans70.7103165.9-750.5000118.3Y933 T1084Y933-N1082 WeakPolarHBondContact CE1-OD1 3.45Å; Y933-N1082 PolarHBondContact OH-ND2 3.31Å; Y933-N1082 VanDerWaalsContact OH-ND2 3.16Å; N1082-T1084 PolarHBondContact O-N 3.46Å
1083V31.6Very low33.7Very low131 Ų131123 Ų12379%0.79463%0.63SS**THydrogen-bonded Turntrans-80.264.1153.2-171.70000109.3V1086V1083-V1086 HydrophobicContact CG1-CB 4.21Å; V1083-V1086 HydrophobicContact CG1-CG2 3.96Å
1084T34.9Very low34.1Very low100 Ų100121.3 Ų121.361%0.61362%0.617SS**THydrogen-bonded Turntrans-123.22167.552.80000113N1082N1082-T1084 PolarHBondContact O-N 3.46Å
1085T38.4Very low34.4Very low80 Ų80120.6 Ų120.649%0.49161%0.614SS.*SBendtrans-121.8-0.8176.747.60000114.2Q1087 Q1088 L1089T1085-Q1087 PolarHBondContact O-N 3.32Å; T1085-Q1088 CarbonylContact O-C 3.59Å; T1085-Q1088 WeakPolarHBondContact O-CA 3.44Å; T1085-Q1088 PolarHBondContact O-N 3.01Å; T1085-L1089 PolarHBondContact O-N 3.32Å
1086V35.5Very low34.5Very low82 Ų82121.7 Ų121.750%0.49762%0.616SS.*Hα-helixtrans-65-30.3170.4179.40000111V1083 Q1088 L1089 H1090V1083-V1086 HydrophobicContact CG1-CB 4.21Å; V1083-V1086 HydrophobicContact CG1-CG2 3.96Å; V1086-Q1088 PolarHBondContact O-N 3.31Å; V1086-Q1088 VanDerWaalsContact O-N 3.12Å; V1086-L1089 PolarHBondContact O-N 3.04Å; V1086-H1090 PolarHBondContact O-N 2.7Å
1087Q40.3Very low34.4Very low151 Ų151126.2 Ų126.271%0.70663%0.63SS**Hα-helixtrans-63.2-10.7168.6-167.459.516.300113.5T1085 N1091T1085-Q1087 PolarHBondContact O-N 3.32Å; Q1087-N1091 PolarHBondContact O-ND2 2.85Å
1088Q40.5Very low34.5Very low139 Ų139126.2 Ų126.265%0.6563%0.626SS**Hα-helixtrans-110-25.7173.1-71-179.3-24.900112.9T1085 V1086 N1091 A1092T1085-Q1088 CarbonylContact O-C 3.59Å; T1085-Q1088 WeakPolarHBondContact O-CA 3.44Å; T1085-Q1088 PolarHBondContact O-N 3.01Å; V1086-Q1088 PolarHBondContact O-N 3.31Å; V1086-Q1088 VanDerWaalsContact O-N 3.12Å; Q1088-N1091 PolarHBondContact O-N 2.82Å; Q1088-A1092 PolarHBondContact O-N 2.85Å; Q1088-A1092 VanDerWaalsContact O-N 3.14Å
1089L34.8Very low34.6Very low129 Ų129123.9 Ų123.968%0.67563%0.625SS**Hα-helixtrans-84.8-28.5175.9-144.475.9000114.1T1085 V1086 N1091 A1092 H1093T1085-L1089 PolarHBondContact O-N 3.32Å; V1086-L1089 PolarHBondContact O-N 3.04Å; L1089-N1091 PolarHBondContact O-N 2.95Å; L1089-A1092 HydrophobicContact CD1-CB 3.95Å; L1089-A1092 HydrophobicContact CG-CB 4.34Å; L1089-A1092 PolarHBondContact O-N 3.32Å; L1089-H1093 PolarHBondContact O-N 3.43Å
1090H40.4Very low34.8Very low130 Ų130123 Ų12360%0.60263%0.626SS**THydrogen-bonded Turntrans-65.3-25.5166.9-145.988.7000111.4V1086V1086-H1090 PolarHBondContact O-N 2.7Å
1091N40.5Very low34.9Very low82 Ų82127.6 Ų127.644%0.43963%0.63SS.*THydrogen-bonded Turntrans-83.1-13.6170-78.4-57.9000113.9Q1087 Q1088 L1089 Q1095Q1087-N1091 PolarHBondContact O-ND2 2.85Å; Q1088-N1091 PolarHBondContact O-N 2.82Å; L1089-N1091 PolarHBondContact O-N 2.95Å; N1091-Q1095 VanDerWaalsContact O-CG 3.3Å; N1091-Q1095 WeakPolarHBondContact O-CG 3.3Å
1092A38Very low34.9Very low47 Ų47122.7 Ų122.739%0.38863%0.63SS.*THydrogen-bonded Turntrans-90.8-27.1178.800000113.4Q1088 L1089Q1088-A1092 PolarHBondContact O-N 2.85Å; Q1088-A1092 VanDerWaalsContact O-N 3.14Å; L1089-A1092 HydrophobicContact CD1-CB 3.95Å; L1089-A1092 HydrophobicContact CG-CB 4.34Å; L1089-A1092 PolarHBondContact O-N 3.32Å
1093H35.3Very low34.9Very low162 Ų162124.9 Ų124.975%0.7565%0.651SS**SBendtrans-99.50.6177.2-139.4-83.7000114.6L1089L1089-H1093 PolarHBondContact O-N 3.43Å
1094Q38.4Very low35Very low120 Ų120124 Ų12456%0.56165%0.651SS**SBendtrans-89.4-15.5158.2-72-171.8-15.700112.3C1096 Y1097Q1094-C1096 PolarHBondContact O-N 2.86Å; Q1094-C1096 VanDerWaalsContact O-N 3.12Å; Q1094-Y1097 PolarHBondContact O-N 2.78Å
1095Q36.3Very low34.9Very low143 Ų143123.9 Ų123.967%0.66866%0.66SS**THydrogen-bonded Turntrans-84.936.1174-71.6-177.91.700113.7N1091N1091-Q1095 VanDerWaalsContact O-CG 3.3Å; N1091-Q1095 WeakPolarHBondContact O-CG 3.3Å
1096C30.8Very low34.7Very low108 Ų108124 Ų12473%0.7368%0.677SS**THydrogen-bonded Turntrans-146.37.8162.1-94.80000113.3Q1094Q1094-C1096 PolarHBondContact O-N 2.86Å; Q1094-C1096 VanDerWaalsContact O-N 3.12Å
1097Y28.8Very low34.4Very low220 Ų220124.2 Ų124.286%0.86370%0.696SS**SBendtrans-124.852.8170.3-107.4-81.4000111Q1094Q1094-Y1097 PolarHBondContact O-N 2.78Å
1098H31.6Very low34Very low127 Ų127120.3 Ų120.359%0.58870%0.697SS**  trans-144.2153.7161.4-108.3-91.3000109.3
1099N30.8Very low33.5Very low118 Ų118117.7 Ų117.763%0.63171%0.706SS**  trans78.7142.1-176.4-52.3-28.5000115.4
1100H32.5Very low33.3Very low159 Ų159117 Ų11774%0.73671%0.707SS**  trans61.5105.3-173.5-60.2-74.2000115.1
1101Y29.9Very low32.9Very low214 Ų214118 Ų11884%0.83971%0.712SS**  cis-132.8157.4-2-88.3-102.4000108.5
1102G31.9Very low32.3Very low59 Ų59122.2 Ų122.261%0.60872%0.723SS**  cis109.1114.219.900000109.2
1103S31.2Very low32.1Very low121 Ų121126.8 Ų126.885%0.84674%0.736SS**  trans-69.1178.4-171.8-52.20000114.1
1104S34.4Very low32Very low112 Ų112124.6 Ų124.678%0.78373%0.73SS**  trans76.4128.4-167.874.70000112.9
1105A32.2Very low31.7Very low99 Ų99123 Ų12382%0.81873%0.732SS**  cis75.2117.536.200000113.7
1106G33.5Very low31.8Very low81 Ų81124.6 Ų124.684%0.83574%0.739SS**  trans104.2114.6178.100000113.4
1107G30.9Very low31.9Very low88 Ų88123.8 Ų123.891%0.90774%0.735SS**  trans-71.1-171.417800000115.1
1108G30.4Very low32.2Very low69 Ų69121.4 Ų121.471%0.71173%0.732SS**  trans167-42.8167.500000117.3
1109G31.4Very low32.4Very low83 Ų83126.2 Ų126.286%0.85675%0.745SS**  trans56.7-145.617000000117.5
1110V30.9Very low32.7Very low115 Ų115125.4 Ų125.470%0.69775%0.746SS**  trans81.694.5163.2179.60000119.2
1111Q30.7Very low32.7Very low151 Ų151122.3 Ų122.371%0.70675%0.748SS**  71.3142.9128.3-64.5-177.47.100120.7
1112Y28.4Very low32.9Very low170 Ų170117.5 Ų117.567%0.66775%0.746SS**  cis-176.5167.64.5-118.5-37.6000111.8
1113H33.7Very low32.8Very low143 Ų143120.7 Ų120.766%0.66275%0.753SS**  trans63130.3152.7-62.5-42.8000121.4
1114N33.1Very low33.1Very low116 Ų116119.4 Ų119.462%0.6274%0.742SS**  cis103.6124.319.1178.147.6000113.8
1115S32.1Very low32.8Very low86 Ų86120.6 Ų120.660%0.60174%0.74SS**  165.5131.5128.4-75.50000115.3
1116H37.9Very low32.6Very low177 Ų177121.2 Ų121.282%0.81973%0.734SS**  trans69.9151.7135.2-73.2-8.3000122.4
1117S33.8Very low32.2Very low92 Ų92121.7 Ų121.764%0.64372%0.724SS**  cis-169.7177.3-16-173.80000111.7
1118Q35.3Very low32Very low169 Ų169122.9 Ų122.979%0.7971%0.714SS**  trans80.2123.5165.4-47.9-162.539.200115.8
1119R35.3Very low31.9Very low228 Ų228124.6 Ų124.686%0.8672%0.715SS**  cis93.3154.342.9-90-162.7164.7-153.2-0.6112.5
1120P36.4Very low31.7Very low102 Ų102125.2 Ų125.266%0.66271%0.706SS**  cis-141.9-167.9-31.240.3-22.3000113.6
1121A33.4Very low31.4Very low93 Ų93124.3 Ų124.377%0.76970%0.704SS**  trans72.4150.2148.100000119.2
1122S33.6Very low31.3Very low114 Ų114124.7 Ų124.780%0.79771%0.71SS**  cis-156.8155.4-15.942.70000112.5
1123T30.3Very low31.3Very low125 Ų125121 Ų12177%0.76771%0.709SS**  trans-77.4-167.7164.560.80000110.5
1124P37.7Very low31Very low95 Ų95118 Ų11862%0.61770%0.7SS**  cis-127.9-147.8-15.625.9-0.3000110.5
1125N27.4Very low31Very low136 Ų136115.9 Ų115.973%0.72769%0.689SS**  trans76.4149151.5-64.3-9.5000117.4
1126T27.8Very low31.1Very low113 Ų113114.8 Ų114.869%0.69368%0.68SS**  cis-155.6145.9-76.30000112.2
1127S26.6Very low30.6Very low91 Ų91109.9 Ų109.964%0.63666%0.663SS**  trans60.3166.1135.277.70000122.8
1128T26.8Very low30.2Very low112 Ų112111.6 Ų111.669%0.68766%0.664SS**  trans61.9109.8146.944.50000119.4
1129S27.2Very low29.8Very low106 Ų106107.3 Ų107.374%0.74165%0.653SS**  80.4139.712175.70000118.2
1130S26.8Very low29.4Very low96 Ų96103 Ų10367%0.67165%0.646SS**  cis-171.6-170-10.643.70000109.1
1131C26.4Very low28.9Very low96 Ų96106.8 Ų106.865%0.64965%0.653SS**  trans76116.8148.4-68.80000117.7
1132L28.3Very low28.4Very low159 Ų159106.5 Ų106.583%0.83265%0.645SS**  68.6133.3120-63.6174000117.5
1133S27Very low28.1Very low91 Ų91104.8 Ų104.864%0.63664%0.638SS**  cis-158.2147.70.874.50000109.4
1134V28.8Very low27.9Very low80 Ų80104.3 Ų104.349%0.48564%0.639SS.*  68.2134.3103.9173.90000114.3
1135N31.7Very low27.5Very low72 Ų72103.9 Ų103.939%0.38564%0.639SS.*  trans-111.7117.8-171.4-59.8-14.8000111S100 R101 N102S100-N1135 VanDerWaalsContact C-CB 3.49Å; S100-N1135 CarbonylContact O-C 3.56Å; S100-N1135 VanDerWaalsContact O-O 3.12Å; R101-N1135 VanDerWaalsContact CZ-O 3.27Å; R101-N1135 PolarHBondContact NE-O 3.36Å; R101-N1135 PolarHBondContact NH2-O 3.46Å; R101-N1135 VanDerWaalsContact O-CB 3.25Å; R101-N1135 WeakPolarHBondContact O-CB 3.42Å; R101-N1135 PolarHBondContact O-ND2 3.49Å; N102-N1135 PolarHBondContact OD1-N 3.05Å
1136P35.4Very low27.5Very low63 Ų63105.2 Ų105.241%0.40964%0.644SS.*  trans-129.6110.8178.937.2-22.6000116.5S99 S100S99-P1136 VanDerWaalsContact CB-C 3.49Å; S99-P1136 WeakPolarHBondContact CB-O 3.48Å; S100-P1136 CarbonylContact O-C 3.59Å; S100-P1136 WeakPolarHBondContact O-CA 3.26Å; S100-P1136 VanDerWaalsContact O-N 3.12Å
1137V27.7Very low27.6Very low75 Ų75102.4 Ų102.446%0.45564%0.638SS.*  trans66.3130.6154.5-65.70000119.1S99 S100S99-V1137 CarbonylContact C-O 3.55Å; S99-V1137 WeakPolarHBondContact CA-O 3.4Å; S99-V1137 WeakPolarHBondContact CB-O 3.42Å; S99-V1137 PolarHBondContact N-O 2.89Å; S99-V1137 CarbonylContact O-C 3.5Å; S99-V1137 PolarHBondContact O-N 2.99Å; S100-V1137 PolarHBondContact O-N 3.32Å; S100-V1137 VanDerWaalsContact O-N 3.08Å
1138N25.5Very low27.7Very low128 Ų128104.8 Ų104.868%0.68465%0.648SS**  cis75141.950-172.836.5000113.5S99S99-N1138 PolarHBondContact O-N 2.7Å
1139S25.9Very low27.8Very low78 Ų78104.5 Ų104.555%0.54565%0.651SS.*  trans72.2156.8151.467.70000120.9
1140L26.5Very low28Very low137 Ų137103.1 Ų103.172%0.71765%0.653SS**  trans83.3109.9158.8-50.4-171000118.9
1141F25.3Very low28.1Very low183 Ų183102.3 Ų102.380%0.80366%0.66SS**  78.7141.6123.2-83.3-137.9000117.7
1142S24.8Very low28.2Very low87 Ų87102 Ų10261%0.60867%0.673SS**  cis-165.8-179.6-15.4-1260000110.6
1143A26.4Very low28.2Very low78 Ų7898.4 Ų98.465%0.64567%0.674SS**  trans53.2111.514200000117.9
1144S26.8Very low28.3Very low114 Ų11498 Ų9880%0.79768%0.684SS**  83.7144.1120.3-63.90000118.1
1145S27.9Very low28.2Very low86 Ų8697.5 Ų97.560%0.60170%0.695SS**  cis-177.6158.7-946.60000109.9
1146I28.3Very low28.1Very low165 Ų165100.5 Ų100.585%0.84672%0.717SS**  trans69.4132.5163-56.8144.4000113.9
1147G29.8Very low27.9Very low54 Ų54103.8 Ų103.856%0.55774%0.735SS**  cis-139.2156.8-500000111
1148V29Very low27.9Very low140 Ų140105.6 Ų105.685%0.84875%0.751SS**  38.3126.872.8-97.70000113.6
1149S29.1Very low28.3Very low107 Ų107105 Ų10575%0.74876%0.755SS**  cis-137.6169.69.9-58.80000109.4
1150G30.1Very low28.4Very low77 Ų77105.3 Ų105.379%0.79476%0.762SS**  cis72.1122.943.800000110.5
1151G29.4Very low28.7Very low78 Ų78104.3 Ų104.380%0.80477%0.765SS**  cis144.5155.9-1.900000111.9
1152G28.9Very low28.9Very low90 Ų90103.1 Ų103.193%0.92877%0.766SS**  trans69.7-175.2169.700000116.6
1153G28.7Very low29.4Very low83 Ų83104.1 Ų104.186%0.85677%0.773SS**  trans113.945.8166.400000117.2
1154G27.9Very low29.7Very low82 Ų82107.1 Ų107.185%0.84578%0.778SS**  trans-71.2169.7-175.900000117.9
1155G27.6Very low29.9Very low70 Ų70108.6 Ų108.672%0.72278%0.776SS**  trans91.6127.214800000118
1156T29.1Very low30Very low136 Ų136113.3 Ų113.383%0.83479%0.787SS**  -170.2155.1111.718.20000113
1157T31.3Very low30.5Very low131 Ų131110.2 Ų110.280%0.80478%0.777SS**  trans52.495.3154.852.30000121.1
1158S27.5Very low30.4Very low113 Ų113116.6 Ų116.679%0.7979%0.79SS**  trans-53.4165.6133.1-131.80000111
1159P34Very low30.4Very low116 Ų116116.7 Ų116.775%0.75379%0.785SS**  cis-149.2164.241.841.6-20.6000120.7
1160A28.8Very low30.5Very low85 Ų85120.1 Ų120.170%0.70279%0.794SS**  trans54.3124.2143.400000122.5
1161C31.4Very low30.5Very low115 Ų115121 Ų12178%0.77779%0.794SS**  177.9122100.5-96.30000114.8
1162L29.7Very low30.8Very low158 Ų158123.7 Ų123.783%0.82780%0.795SS**  trans32.2121.1141.7-52.8172000121.5
1163S35.5Very low31.1Very low108 Ų108124.5 Ų124.576%0.75578%0.783SS**  152.1122.4114.6-65.90000116.9
1164N33.2Very low31.6Very low141 Ų141126.1 Ų126.175%0.75478%0.779SS**  trans53.2106134.3-55.4-12.5000124.1
1165L31.2Very low32.2Very low145 Ų145127.5 Ų127.576%0.75977%0.773SS**  58.8155.5114.8-66167.2000124.1
1166F30.5Very low32.8Very low186 Ų186130.3 Ų130.382%0.81678%0.778SS**  trans79.8154162.8-80-64.9000118.3
1167P37.4Very low33Very low100 Ų100131 Ų13165%0.64978%0.782SS**  -136.5178.6-110.447.7-33000117.7
1168F28.3Very low33.2Very low187 Ų187128.8 Ų128.882%0.8278%0.777SS**  trans46.3124.1143.6-89.4-117.5000122.3
1169L28.4Very low33.4Very low143 Ų143131.2 Ų131.275%0.74978%0.781SS**  trans55.999.8143.3-61.2179.8000120
1170L30.9Very low33.4Very low178 Ų178136.7 Ų136.793%0.93279%0.786SS**  trans-134.7161.6144.3-76.3178.3000110.5
1171A31.7Very low33.6Very low96 Ų96138.5 Ų138.579%0.79379%0.791SS**  trans68.861.7172.900000118.1
1172V34.4Very low33.6Very low135 Ų135140.9 Ų140.982%0.81880%0.795SS**PPolyproline II helixtrans-85.8126.6144.91790000107.8
1173P36.7Very low33.7Very low106 Ų106139 Ų13969%0.68879%0.792SS**PPolyproline II helixtrans-76.8151.1-176.430.9-35.3000112.6
1174P39Very low33.5Very low118 Ų118141.8 Ų141.877%0.76680%0.798SS**PPolyproline II helixtrans-70.9140.8177.529.6-34.8000111.8
1175P39.2Very low33.4Very low110 Ų110140.6 Ų140.671%0.71480%0.798SS**PPolyproline II helixtrans-68.5140.5173.428.7-34.1000111.1T1177P1175-T1177 PolarHBondContact O-N 3.05Å
1176P40.3Very low33.3Very low129 Ų129140.2 Ų140.284%0.83880%0.801SS**PPolyproline II helixtrans-70116.2-171.727-34.6000112.5A1178P1176-A1178 PolarHBondContact O-N 3.37Å
1177T33.7Very low33.3Very low150 Ų150136.2 Ų136.292%0.9280%0.796SS**  trans-80.397.5-176.6-27.90000111.8P1175P1175-T1177 PolarHBondContact O-N 3.05Å
1178A35.2Very low32.9Very low85 Ų85138.4 Ų138.470%0.70280%0.803SS**  trans-150.1143.4173.700000114.2P1176P1176-A1178 PolarHBondContact O-N 3.37Å
1179L31.9Very low32.9Very low164 Ų164135.9 Ų135.986%0.85980%0.798SS**  trans71.976.1162.9-51.9-174.4000119.6
1180R34.4Very low32.9Very low231 Ų231135 Ų13587%0.87280%0.8SS**  71.6124.5118.3-166.7-179.3-173.9-169.21118.7
1181P32.4Very low32.9Very low124 Ų124130.6 Ų130.681%0.80579%0.785SS**  trans-74.9149.7-179.832.3-36.3000113.4
1182L31.3Very low32.8Very low164 Ų164133.3 Ų133.386%0.85978%0.784SS**  trans-119139.6161.6-89.7137.5000108.2
1183P32.1Very low32.5Very low119 Ų119132.9 Ų132.977%0.77378%0.782SS**  trans-79.8148.2-17832.9-34.7000111.8
1184L31.5Very low32.1Very low167 Ų167135.8 Ų135.887%0.87479%0.792SS**  trans-118.8146.2165.4-69.8176000109.6
1185P32Very low31.6Very low115 Ų115139.5 Ų139.575%0.74780%0.796SS**  trans-87.2150.8-162.734-36.4000114
1186V28Very low31.1Very low137 Ų137137.3 Ų137.383%0.8378%0.782SS**  trans-75.5128.3160.4-179.80000108.1
1187S31Very low30.9Very low102 Ų102136.7 Ų136.771%0.71378%0.775SS**  trans-134.1118.6177.5-179.70000109.8
1188N29Very low31Very low147 Ų147131.4 Ų131.479%0.78675%0.745SS**  trans-83.7127.9-176.2-59.6-31.4000110.9
1189N28.7Very low31.1Very low134 Ų134131.4 Ų131.472%0.71773%0.733SS**  trans-147.6105.3159.6-1643.3000110.4S1191N1189-S1191 PolarHBondContact O-N 2.57Å
1190P27.7Very low31.4Very low123 Ų123128.1 Ų128.180%0.79972%0.716SS**THydrogen-bonded Turntrans-8675.3-167.434.5-35.9000112.4
1191S30.9Very low31.7Very low86 Ų86119.9 Ų119.960%0.60169%0.694SS**THydrogen-bonded Turntrans-148.7-4178.557.30000117.3N1189N1189-S1191 PolarHBondContact O-N 2.57Å
1192I29.8Very low32.2Very low154 Ų154118.4 Ų118.479%0.7968%0.676SS**SBendtrans-139.748.5-179.2-36.9179.2000112.6
1193T28.8Very low33.1Very low125 Ų125114 Ų11477%0.76766%0.656SS**  trans-143.987.2174.353.80000112.2
1194N27.6Very low33.7Very low167 Ų167113.6 Ų113.689%0.89365%0.647SS**  trans-140.654.1165.3-101.2-17000110.5
1195F27.8Very low34.4Very low196 Ų196109.8 Ų109.886%0.8662%0.623SS**  trans-116122.7160.3-88.1-77.8000108.4V1197F1195-V1197 PolarHBondContact O-N 3.17Å
1196P29.8Very low35.2Very low65 Ų65106.6 Ų106.642%0.42261%0.607SS.*  trans-74.995179.430.2-34.1000110.5S1198 D1199P1196-S1198 WeakPolarHBondContact CB-OG 3.34Å; P1196-S1198 PolarHBondContact O-N 2.82Å; P1196-S1198 VanDerWaalsContact O-N 3.09Å; P1196-D1199 HydrophobicContact CB-CB 4.43Å; P1196-D1199 HydrophobicContact CG-CB 4.21Å; P1196-D1199 WeakPolarHBondContact CG-OD2 3.22Å; P1196-D1199 PolarHBondContact O-N 3.39Å
1197V36Very low36.1Very low115 Ų115107 Ų10770%0.69760%0.599SS**Hα-helixtrans-64.4-10.4173.1-1650000111.7F1195F1195-V1197 PolarHBondContact O-N 3.17Å
1198S35Very low36.8Very low40 Ų40108 Ų10828%0.2859%0.588SS.*Hα-helixtrans-59.1-48.2163.744.20000112.5P1196 L1200 S1201 E1202P1196-S1198 WeakPolarHBondContact CB-OG 3.34Å; P1196-S1198 PolarHBondContact O-N 2.82Å; P1196-S1198 VanDerWaalsContact O-N 3.09Å; S1198-L1200 PolarHBondContact O-N 2.86Å; S1198-S1201 PolarHBondContact O-N 3.43Å; S1198-S1201 PolarHBondContact O-OG 2.99Å; S1198-E1202 PolarHBondContact O-N 3.27Å
1199D37.8Very low37.7Very low85 Ų85103.9 Ų103.946%0.45557%0.569SS.*Hα-helixtrans-71.5-36.8-165.8-61.411.2000110.5P1196 S1201 E1202 T1203P1196-D1199 HydrophobicContact CB-CB 4.43Å; P1196-D1199 HydrophobicContact CG-CB 4.21Å; P1196-D1199 WeakPolarHBondContact CG-OD2 3.22Å; P1196-D1199 PolarHBondContact O-N 3.39Å; D1199-S1201 VanDerWaalsContact C-N 3.32Å; D1199-S1201 PolarHBondContact O-N 3.35Å; D1199-E1202 PolarHBondContact O-N 3.37Å; D1199-T1203 VanDerWaalsContact O-CB 3.29Å; D1199-T1203 WeakPolarHBondContact O-CB 3.31Å; D1199-T1203 VanDerWaalsContact O-CG2 3.29Å; D1199-T1203 WeakPolarHBondContact O-CG2 3.27Å; D1199-T1203 PolarHBondContact O-N 2.88Å; D1199-T1203 PolarHBondContact O-OG1 3.26Å
1200L38.5Very low38.7Very low94 Ų94100.3 Ų100.349%0.49256%0.558SS.*Hα-helixtrans-59-41.1170.2-88.5154000112S1198 T1203 L1204S1198-L1200 PolarHBondContact O-N 2.86Å; L1200-T1203 PolarHBondContact O-OG1 3.31Å; L1200-L1204 VanDerWaalsContact O-CB 3.23Å; L1200-L1204 WeakPolarHBondContact O-CB 3.33Å; L1200-L1204 WeakPolarHBondContact O-CD1 3.26Å; L1200-L1204 WeakPolarHBondContact O-CG 3.25Å; L1200-L1204 PolarHBondContact O-N 2.93Å; L1200-L1204 VanDerWaalsContact O-N 3.09Å
1201S40.6Very low39.6Very low59 Ų5997.4 Ų97.441%0.41354%0.544SS..Hα-helixtrans-69.4-36.5178.370.80000112.9S1198 D1199 F1205S1198-S1201 PolarHBondContact O-N 3.43Å; S1198-S1201 PolarHBondContact O-OG 2.99Å; D1199-S1201 VanDerWaalsContact C-N 3.32Å; D1199-S1201 PolarHBondContact O-N 3.35Å; S1201-F1205 VanDerWaalsContact O-CB 3.29Å; S1201-F1205 WeakPolarHBondContact O-CB 3.46Å; S1201-F1205 PolarHBondContact O-N 2.88Å; S1201-F1205 VanDerWaalsContact O-N 3.13Å
1202E42.5Very low40.3Very low93 Ų9395.9 Ų95.944%0.43554%0.537SS..Hα-helixtrans-84.6-34.3-175.9-71.8165.2-136.100112.1R572 S1198 D1199 F1205 A1206R572-E1202 IonicContact CZ-OE1 3.67Å; R572-E1202 VanDerWaalsContact CZ-OE1 3.3Å; R572-E1202 IonicContact NH1-OE1 3.29Å; R572-E1202 PolarHBondContact NH1-OE1 3.39Å; R572-E1202 IonicContact NH2-OE1 3.42Å; R572-E1202 PolarHBondContact NH2-OE1 2.83Å; S1198-E1202 PolarHBondContact O-N 3.27Å; D1199-E1202 PolarHBondContact O-N 3.37Å; E1202-F1205 PolarHBondContact O-N 3.43Å; E1202-A1206 WeakPolarHBondContact O-CB 3.48Å; E1202-A1206 PolarHBondContact O-N 2.95Å
1203T49.5Very low40.9Very low71 Ų7191.4 Ų91.444%0.43652%0.523SS..Hα-helixtrans-70.4-39.8171.153.90000112.6D1199 L1200 A1206 H1207D1199-T1203 VanDerWaalsContact O-CB 3.29Å; D1199-T1203 WeakPolarHBondContact O-CB 3.31Å; D1199-T1203 VanDerWaalsContact O-CG2 3.29Å; D1199-T1203 WeakPolarHBondContact O-CG2 3.27Å; D1199-T1203 PolarHBondContact O-N 2.88Å; D1199-T1203 PolarHBondContact O-OG1 3.26Å; L1200-T1203 PolarHBondContact O-OG1 3.31Å; T1203-A1206 PolarHBondContact O-N 3.35Å; T1203-H1207 WeakPolarHBondContact O-CB 3.31Å; T1203-H1207 PolarHBondContact O-CD2 3.45Å; T1203-H1207 PolarHBondContact O-N 2.93Å
1204L46Very low41.7Very low111 Ų11188.3 Ų88.358%0.58151%0.51SS*.Hα-helixtrans-63.7-41.4171.9-73.9171.2000111.4L1200 H1207 Y1208L1200-L1204 VanDerWaalsContact O-CB 3.23Å; L1200-L1204 WeakPolarHBondContact O-CB 3.33Å; L1200-L1204 WeakPolarHBondContact O-CD1 3.26Å; L1200-L1204 WeakPolarHBondContact O-CG 3.25Å; L1200-L1204 PolarHBondContact O-N 2.93Å; L1200-L1204 VanDerWaalsContact O-N 3.09Å; L1204-H1207 PolarHBondContact O-N 2.74Å; L1204-Y1208 WeakPolarHBondContact O-CB 2.89Å; L1204-Y1208 PolarHBondContact O-N 3.2Å
1205F45.9Very low42.5Very low86 Ų8683.6 Ų83.638%0.37749%0.494SS..Hα-helixtrans-60.9-45.6173.9-174.5-81.5000111.8A561 S1201 E1202 Y1208 T1209A561-F1205 HydrophobicContact CB-CE2 3.8Å; A561-F1205 HydrophobicContact CB-CZ 4.24Å; S1201-F1205 VanDerWaalsContact O-CB 3.29Å; S1201-F1205 WeakPolarHBondContact O-CB 3.46Å; S1201-F1205 PolarHBondContact O-N 2.88Å; S1201-F1205 VanDerWaalsContact O-N 3.13Å; E1202-F1205 PolarHBondContact O-N 3.43Å; F1205-Y1208 PolarHBondContact O-N 2.89Å; F1205-T1209 HydrophobicContact CD1-CG2 4.18Å; F1205-T1209 HydrophobicContact CE1-CG2 3.92Å; F1205-T1209 HydrophobicContact CZ-CG2 4.31Å; F1205-T1209 WeakPolarHBondContact O-CB 3.33Å; F1205-T1209 WeakPolarHBondContact O-CG2 3.45Å; F1205-T1209 PolarHBondContact O-N 2.96Å; F1205-T1209 PolarHBondContact O-OG1 3.2Å
1206A48.3Very low43.1Very low49 Ų4976.5 Ų76.541%0.40547%0.471SS..Hα-helixtrans-61.7-45.8176.100000112.2E1202 T1203 T1209 A1210E1202-A1206 WeakPolarHBondContact O-CB 3.48Å; E1202-A1206 PolarHBondContact O-N 2.95Å; T1203-A1206 PolarHBondContact O-N 3.35Å; A1206-T1209 PolarHBondContact O-N 2.87Å; A1206-T1209 PolarHBondContact O-OG1 3.36Å; A1206-A1210 WeakPolarHBondContact O-CB 3.09Å; A1206-A1210 PolarHBondContact O-N 3.48Å
1207H47.6Very low43.7Very low144 Ų14475.8 Ų75.867%0.66747%0.471SS*.Hα-helixtrans-63.7-41.7176.1-86-65.1000112.8T1203 L1204 A1211T1203-H1207 WeakPolarHBondContact O-CB 3.31Å; T1203-H1207 PolarHBondContact O-CD2 3.45Å; T1203-H1207 PolarHBondContact O-N 2.93Å; L1204-H1207 PolarHBondContact O-N 2.74Å; H1207-A1211 VanDerWaalsContact O-CB 3.23Å; H1207-A1211 WeakPolarHBondContact O-CB 3.46Å; H1207-A1211 PolarHBondContact O-N 2.88Å
1208Y45.6Very low44Very low123 Ų12373.4 Ų73.448%0.48246%0.463SS..Hα-helixtrans-66.6-42.2178.3-125.5-86.2000112.3L1204 F1205 A1212 A1254L1204-Y1208 WeakPolarHBondContact O-CB 2.89Å; L1204-Y1208 PolarHBondContact O-N 3.2Å; F1205-Y1208 PolarHBondContact O-N 2.89Å; Y1208-A1212 WeakPolarHBondContact O-CB 3.42Å; Y1208-A1212 PolarHBondContact O-N 3.43Å; Y1208-A1254 HydrophobicContact CE1-CB 4.29Å; Y1208-A1254 WeakPolarHBondContact OH-CA 3.39Å
1209T47.4Very low44.2Very low62 Ų6274.7 Ų74.738%0.3848%0.477SS..Hα-helixtrans-72.2-38.7178.849.70000112.4F1205 A1206 A1212 A1213F1205-T1209 HydrophobicContact CD1-CG2 4.18Å; F1205-T1209 HydrophobicContact CE1-CG2 3.92Å; F1205-T1209 HydrophobicContact CZ-CG2 4.31Å; F1205-T1209 WeakPolarHBondContact O-CB 3.33Å; F1205-T1209 WeakPolarHBondContact O-CG2 3.45Å; F1205-T1209 PolarHBondContact O-N 2.96Å; F1205-T1209 PolarHBondContact O-OG1 3.2Å; A1206-T1209 PolarHBondContact O-N 2.87Å; A1206-T1209 PolarHBondContact O-OG1 3.36Å; T1209-A1212 PolarHBondContact O-N 2.9Å; T1209-A1213 VanDerWaalsContact O-CB 3.3Å; T1209-A1213 WeakPolarHBondContact O-CB 3.48Å; T1209-A1213 PolarHBondContact O-N 3.07Å
1210A49.1Very low44.4Very low58 Ų5874.9 Ų74.948%0.47948%0.481SS..Hα-helixtrans-64.9-41.717300000112.1A1206 A1213 A1214A1206-A1210 WeakPolarHBondContact O-CB 3.09Å; A1206-A1210 PolarHBondContact O-N 3.48Å; A1210-A1213 PolarHBondContact O-N 2.82Å; A1210-A1214 WeakPolarHBondContact O-CB 3.49Å; A1210-A1214 PolarHBondContact O-N 2.85Å
1211A47.3Very low44.3Very low62 Ų6276.5 Ų76.551%0.51249%0.49SS..Hα-helixtrans-64.4-42.2175.700000112.2H1207 A1215H1207-A1211 VanDerWaalsContact O-CB 3.23Å; H1207-A1211 WeakPolarHBondContact O-CB 3.46Å; H1207-A1211 PolarHBondContact O-N 2.88Å; A1211-A1215 WeakPolarHBondContact O-CB 3.42Å; A1211-A1215 PolarHBondContact O-N 2.81Å
1212A44.8Very low44.1Very low54 Ų5482 Ų8245%0.44651%0.509SS..Hα-helixtrans-65-40.8174.900000112.4Y1208 T1209 A1215 A1216Y1208-A1212 WeakPolarHBondContact O-CB 3.42Å; Y1208-A1212 PolarHBondContact O-N 3.43Å; T1209-A1212 PolarHBondContact O-N 2.9Å; A1212-A1215 PolarHBondContact O-N 3.31Å; A1212-A1216 WeakPolarHBondContact O-CB 3.45Å; A1212-A1216 PolarHBondContact O-N 3.1Å
1213A43.3Very low43.6Very low60 Ų6082.2 Ų82.250%0.49652%0.521SS..Hα-helixtrans-66.5-42.2176.800000112.4T1209 A1210 A1216 A1217T1209-A1213 VanDerWaalsContact O-CB 3.3Å; T1209-A1213 WeakPolarHBondContact O-CB 3.48Å; T1209-A1213 PolarHBondContact O-N 3.07Å; A1210-A1213 PolarHBondContact O-N 2.82Å; A1213-A1216 PolarHBondContact O-N 3.14Å; A1213-A1217 WeakPolarHBondContact O-CB 3.33Å; A1213-A1217 PolarHBondContact O-N 3.48Å
1214A46.3Very low42.8Very low61 Ų6183.8 Ų83.850%0.50453%0.531SS..Hα-helixtrans-64.6-40.9175.800000112.1A1210 A1216 A1217 A1218A1210-A1214 WeakPolarHBondContact O-CB 3.49Å; A1210-A1214 PolarHBondContact O-N 2.85Å; A1214-A1216 VanDerWaalsContact C-N 3.34Å; A1214-A1217 PolarHBondContact O-N 3.34Å; A1214-A1218 WeakPolarHBondContact O-CB 3.46Å; A1214-A1218 PolarHBondContact O-N 3.4Å
1215A44.1Very low42Very low67 Ų6785 Ų8555%0.55454%0.543SS*.Hα-helixtrans-65-35.9174.600000112.6A1211 A1212 A1219A1211-A1215 WeakPolarHBondContact O-CB 3.42Å; A1211-A1215 PolarHBondContact O-N 2.81Å; A1212-A1215 PolarHBondContact O-N 3.31Å; A1215-A1219 PolarHBondContact O-N 3Å
1216A40.9Very low41.1Very low47 Ų4791.1 Ų91.139%0.38857%0.569SS.*Hα-helixtrans-68.9-45.2174.200000112.1A1212 A1213 A1214 A1218 A1219 T1220A1212-A1216 WeakPolarHBondContact O-CB 3.45Å; A1212-A1216 PolarHBondContact O-N 3.1Å; A1213-A1216 PolarHBondContact O-N 3.14Å; A1214-A1216 VanDerWaalsContact C-N 3.34Å; A1216-A1218 PolarHBondContact O-N 2.83Å; A1216-A1219 WeakPolarHBondContact O-CB 3.42Å; A1216-A1219 PolarHBondContact O-N 3.43Å; A1216-A1219 VanDerWaalsContact O-N 3.1Å; A1216-T1220 PolarHBondContact O-N 2.86Å; A1216-T1220 VanDerWaalsContact O-N 3.16Å; A1216-T1220 PolarHBondContact O-OG1 2.88Å
1217A42.5Very low40.1Very low50 Ų5093.7 Ų93.741%0.41358%0.584SS.*Hα-helixtrans-60.9-45178.500000112.2A1213 A1214 A1219 T1220 D1221A1213-A1217 WeakPolarHBondContact O-CB 3.33Å; A1213-A1217 PolarHBondContact O-N 3.48Å; A1214-A1217 PolarHBondContact O-N 3.34Å; A1217-A1219 PolarHBondContact O-N 2.85Å; A1217-T1220 WeakPolarHBondContact CA-OG1 3.19Å; A1217-T1220 PolarHBondContact O-N 3.46Å; A1217-T1220 PolarHBondContact O-OG1 3.22Å; A1217-D1221 PolarHBondContact O-N 2.78Å; A1217-D1221 VanDerWaalsContact O-N 3.12Å
1218A42.2Very low39.4Very low65 Ų6594.7 Ų94.754%0.53759%0.589SS.*Hα-helixtrans-63.1-22.9175.800000113.5A1214 A1216A1214-A1218 WeakPolarHBondContact O-CB 3.46Å; A1214-A1218 PolarHBondContact O-N 3.4Å; A1216-A1218 PolarHBondContact O-N 2.83Å
1219A39.3Very low38.8Very low68 Ų6897.9 Ų97.956%0.56260%0.6SS**Hα-helixtrans-84.2-2417400000113.2A1215 A1216 A1217A1215-A1219 PolarHBondContact O-N 3Å; A1216-A1219 WeakPolarHBondContact O-CB 3.42Å; A1216-A1219 PolarHBondContact O-N 3.43Å; A1216-A1219 VanDerWaalsContact O-N 3.1Å; A1217-A1219 PolarHBondContact O-N 2.85Å
1220T40.5Very low38Very low89 Ų89102.2 Ų102.255%0.54662%0.621SS.*Hα-helixtrans-87.9-35.7-179.947.20000114A1216 A1217 H1222 S1223A1216-T1220 PolarHBondContact O-N 2.86Å; A1216-T1220 VanDerWaalsContact O-N 3.16Å; A1216-T1220 PolarHBondContact O-OG1 2.88Å; A1217-T1220 WeakPolarHBondContact CA-OG1 3.19Å; A1217-T1220 PolarHBondContact O-N 3.46Å; A1217-T1220 PolarHBondContact O-OG1 3.22Å; T1220-H1222 PolarHBondContact O-N 3.48Å; T1220-H1222 VanDerWaalsContact O-N 3.12Å; T1220-S1223 PolarHBondContact O-N 2.87Å; T1220-S1223 PolarHBondContact O-OG 3.48Å
1221D36.5Very low37.2Very low127 Ų127104.1 Ų104.168%0.67963%0.631SS**G310 helixtrans-63.9-19.4-175.6-97.3-12.5000114.2A1217 S1223A1217-D1221 PolarHBondContact O-N 2.78Å; A1217-D1221 VanDerWaalsContact O-N 3.12Å; D1221-S1223 PolarHBondContact O-N 3.17Å
1222H37Very low36.4Very low175 Ų175108.4 Ų108.481%0.8164%0.644SS**G310 helixtrans-76.15.4177.3-90.8-72.2000115.1T1220T1220-H1222 PolarHBondContact O-N 3.48Å; T1220-H1222 VanDerWaalsContact O-N 3.12Å
1223S31.8Very low35.7Very low98 Ų98112.6 Ų112.669%0.68566%0.657SS**G310 helixtrans-111.910.5-173.665.50000115.8T1220 D1221T1220-S1223 PolarHBondContact O-N 2.87Å; T1220-S1223 PolarHBondContact O-OG 3.48Å; D1221-S1223 PolarHBondContact O-N 3.17Å
1224T31.8Very low35Very low104 Ų104115.3 Ų115.364%0.63867%0.67SS**SBendtrans-138.3160.4170.7480000112.1
1225V30.4Very low34.2Very low137 Ų137120.9 Ų120.983%0.8369%0.686SS**  trans68.661.9176.3-159.70000115.3
1226F26.2Very low33.6Very low213 Ų213124.1 Ų124.193%0.93470%0.699SS**  trans-108.785.3156.6-118.7-82.5000109.8
1227S28.9Very low33.3Very low104 Ų104127.8 Ų127.873%0.72772%0.716SS**  trans-160.5124.4170.9-85.20000113.5
1228H32.1Very low33.2Very low164 Ų164130.1 Ų130.176%0.75973%0.727SS**  trans65.3107.4164.3-73.2-71.5000122
1229R32.9Very low33Very low191 Ų191132.5 Ų132.572%0.72173%0.731SS**  trans81.6101.4138-67.6179.9169.2168.1-3.5119.9
1230N30.9Very low33.4Very low152 Ų152134.1 Ų134.181%0.81374%0.736SS**  7.5142.5126.3-52.511.2000117
1231S31.8Very low34.1Very low98 Ų98134.4 Ų134.469%0.68574%0.738SS**  cis-162.3153.643-130.10000116.1
1232I30.9Very low34.7Very low153 Ų153131 Ų13179%0.78572%0.723SS**  trans62.790.7153.8-52.7156.4000118.3
1233L29.4Very low35.2Very low141 Ų141125.7 Ų125.774%0.73871%0.71SS**  -161.2146.2127.1-102.1169.7000107.2Q1235L1233-Q1235 PolarHBondContact O-N 3.27Å
1234P29.3Very low36.1Very low118 Ų118124 Ų12477%0.76670%0.702SS**  trans-80.780.3-173.833.1-33.8000111.1T1236P1234-T1236 PolarHBondContact O-N 3.03Å
1235Q30Very low37.6Very low177 Ų177123.6 Ų123.683%0.82770%0.7SS**  trans-65.8119.3163-67.9-1669.300108.8L1233 V1237L1233-Q1235 PolarHBondContact O-N 3.27Å; Q1235-V1237 VanDerWaalsContact C-N 3.33Å; Q1235-V1237 PolarHBondContact O-N 2.86Å
1236T31.5Very low38.7Very low136 Ų136120.1 Ų120.183%0.83469%0.685SS**  trans-7091.2171.750.70000108.8P1234 P1238P1234-T1236 PolarHBondContact O-N 3.03Å; T1236-P1238 WeakPolarHBondContact O-CD 3.46Å
1237V34.6Very low40.2Very low124 Ų124113 Ų11375%0.75267%0.665SS**PPolyproline II helixtrans-56121.5172.3-177.10000107.8Q1235 D1239Q1235-V1237 VanDerWaalsContact C-N 3.33Å; Q1235-V1237 PolarHBondContact O-N 2.86Å; V1237-D1239 PolarHBondContact O-N 3.27Å
1238P39.6Very low41.7Very low98 Ų98111 Ų11164%0.63666%0.655SS**PPolyproline II helixtrans-66.6130.9176.327.6-33000108.8T1236T1236-P1238 WeakPolarHBondContact O-CD 3.46Å
1239D37.7Very low43Very low115 Ų115105.7 Ų105.762%0.61564%0.64SS**PPolyproline II helixtrans-52132.4179-85.2-53000110.4V1237 T1241 S1242V1237-D1239 PolarHBondContact O-N 3.27Å; D1239-T1241 PolarHBondContact O-N 3.3Å; D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.49Å; D1239-S1242 PolarHBondContact O-OG 2.84Å
1240P47.7Very low44.5Very low103 Ų10399.5 Ų99.567%0.66963%0.63SS**Hα-helixtrans-61.7-21.5-178.223.4-33.3000112.7S1242 A1244P1240-S1242 VanDerWaalsContact C-N 3.31Å; P1240-S1242 PolarHBondContact O-N 2.86Å; P1240-A1244 WeakPolarHBondContact O-CB 3.48Å; P1240-A1244 PolarHBondContact O-N 3.41Å; P1240-A1244 VanDerWaalsContact O-N 3.13Å
1241T55.3Low46.1Very low95 Ų9595.2 Ų95.258%0.58362%0.615SS**Hα-helixtrans-65.8-30171.359.40000112.9D1239 T1245D1239-T1241 PolarHBondContact O-N 3.3Å; T1241-T1245 WeakPolarHBondContact O-CB 3.27Å; T1241-T1245 WeakPolarHBondContact O-CG2 2.97Å; T1241-T1245 PolarHBondContact O-N 3.43Å; T1241-T1245 PolarHBondContact O-OG1 3.22Å
1242S48.6Very low47.7Very low54 Ų5493.4 Ų93.438%0.37861%0.606SS.*Hα-helixtrans-72.2-41.9177.572.60000112D1239 P1240 T1245 A1246D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.49Å; D1239-S1242 PolarHBondContact O-OG 2.84Å; P1240-S1242 VanDerWaalsContact C-N 3.31Å; P1240-S1242 PolarHBondContact O-N 2.86Å; S1242-T1245 WeakPolarHBondContact CA-OG1 3.44Å; S1242-T1245 PolarHBondContact O-N 2.78Å; S1242-T1245 PolarHBondContact O-OG1 2.92Å; S1242-T1245 VanDerWaalsContact O-OG1 3.12Å; S1242-A1246 WeakPolarHBondContact O-CB 3.45Å; S1242-A1246 PolarHBondContact O-N 3.49Å
1243A47.2Very low49.4Very low65 Ų6590.7 Ų90.754%0.53760%0.597SS.*Hα-helixtrans-64.9-45.3174.400000111.5T1245 A1246 A1247A1243-T1245 PolarHBondContact O-N 3.14Å; A1243-A1246 PolarHBondContact O-N 2.83Å; A1243-A1247 WeakPolarHBondContact O-CB 3.49Å; A1243-A1247 PolarHBondContact O-N 2.94Å
1244A52.3Low51.2Low63 Ų6385.7 Ų85.752%0.52158%0.576SS.*Hα-helixtrans-62.7-40.2177.500000112.9P1240 A1248P1240-A1244 WeakPolarHBondContact O-CB 3.48Å; P1240-A1244 PolarHBondContact O-N 3.41Å; P1240-A1244 VanDerWaalsContact O-N 3.13Å; A1244-A1248 WeakPolarHBondContact O-CB 3.48Å; A1244-A1248 PolarHBondContact O-N 3.39Å
1245T63Low53Low95 Ų9583.1 Ų83.158%0.58356%0.564SS**Hα-helixtrans-72.3-35.3176.847.30000112.7T1241 S1242 A1243 A1248 A1249T1241-T1245 WeakPolarHBondContact O-CB 3.27Å; T1241-T1245 WeakPolarHBondContact O-CG2 2.97Å; T1241-T1245 PolarHBondContact O-N 3.43Å; T1241-T1245 PolarHBondContact O-OG1 3.22Å; S1242-T1245 WeakPolarHBondContact CA-OG1 3.44Å; S1242-T1245 PolarHBondContact O-N 2.78Å; S1242-T1245 PolarHBondContact O-OG1 2.92Å; S1242-T1245 VanDerWaalsContact O-OG1 3.12Å; A1243-T1245 PolarHBondContact O-N 3.14Å; T1245-A1248 PolarHBondContact O-N 3.24Å; T1245-A1249 WeakPolarHBondContact O-CB 3.45Å; T1245-A1249 PolarHBondContact O-N 3.41Å
1246A53Low54.7Low63 Ų6377.6 Ų77.652%0.52155%0.549SS..Hα-helixtrans-63.2-44.6171.400000112.1S1242 A1243 A1249 A1250S1242-A1246 WeakPolarHBondContact O-CB 3.45Å; S1242-A1246 PolarHBondContact O-N 3.49Å; A1243-A1246 PolarHBondContact O-N 2.83Å; A1246-A1249 PolarHBondContact O-N 2.87Å; A1246-A1250 PolarHBondContact O-N 3.31Å
1247A57.7Low56.5Low63 Ų6372.9 Ų72.952%0.52152%0.524SS..Hα-helixtrans-63.2-43.2176.200000112.2A1243 A1249 A1250 A1251A1243-A1247 WeakPolarHBondContact O-CB 3.49Å; A1243-A1247 PolarHBondContact O-N 2.94Å; A1247-A1249 PolarHBondContact O-N 3.35Å; A1247-A1250 PolarHBondContact O-N 3.48Å; A1247-A1251 WeakPolarHBondContact O-CB 3.13Å; A1247-A1251 PolarHBondContact O-N 3Å
1248A59.7Low58.2Low62 Ų6271.3 Ų71.351%0.51252%0.524SS..Hα-helixtrans-63-39.7175.400000112.4A1244 T1245 A1251 A1252A1244-A1248 WeakPolarHBondContact O-CB 3.48Å; A1244-A1248 PolarHBondContact O-N 3.39Å; T1245-A1248 PolarHBondContact O-N 3.24Å; A1248-A1251 PolarHBondContact O-N 2.95Å; A1248-A1252 WeakPolarHBondContact O-CB 3.25Å; A1248-A1252 PolarHBondContact O-N 3.38Å
1249A59.8Low59.8Low54 Ų5470.7 Ų70.745%0.44653%0.527SS..Hα-helixtrans-65.1-43.8174.900000112T1245 A1246 A1247 A1251 A1252 V1253T1245-A1249 WeakPolarHBondContact O-CB 3.45Å; T1245-A1249 PolarHBondContact O-N 3.41Å; A1246-A1249 PolarHBondContact O-N 2.87Å; A1247-A1249 PolarHBondContact O-N 3.35Å; A1249-A1251 PolarHBondContact O-N 2.89Å; A1249-A1252 PolarHBondContact O-N 2.99Å; A1249-V1253 WeakPolarHBondContact O-CG2 3.43Å; A1249-V1253 PolarHBondContact O-N 2.97Å
1250A64.4Low61.5Low61 Ų6166.6 Ų66.650%0.50451%0.509SS..Hα-helixtrans-61.3-4417600000112A1246 A1247 A1252 V1253 A1254A1246-A1250 PolarHBondContact O-N 3.31Å; A1247-A1250 PolarHBondContact O-N 3.48Å; A1250-A1252 PolarHBondContact O-N 3.46Å; A1250-V1253 PolarHBondContact O-N 3.37Å; A1250-A1254 WeakPolarHBondContact O-CB 3.23Å; A1250-A1254 PolarHBondContact O-N 3.4Å
1251A64.9Low63.1Low61 Ų6164.3 Ų64.350%0.50450%0.496SS..Hα-helixtrans-62.5-40.6175.600000112.5A1247 A1248 A1249 A1254 A1255A1247-A1251 WeakPolarHBondContact O-CB 3.13Å; A1247-A1251 PolarHBondContact O-N 3Å; A1248-A1251 PolarHBondContact O-N 2.95Å; A1249-A1251 PolarHBondContact O-N 2.89Å; A1251-A1254 PolarHBondContact O-N 2.89Å; A1251-A1255 WeakPolarHBondContact O-CB 3.25Å; A1251-A1255 PolarHBondContact O-N 3.5Å
1252A64.9Low64.4Low61 Ų6165.6 Ų65.650%0.50450%0.503SS..Hα-helixtrans-65.2-40176.100000112.6A1248 A1249 A1250 A1255 A1256A1248-A1252 WeakPolarHBondContact O-CB 3.25Å; A1248-A1252 PolarHBondContact O-N 3.38Å; A1249-A1252 PolarHBondContact O-N 2.99Å; A1250-A1252 PolarHBondContact O-N 3.46Å; A1252-A1255 PolarHBondContact O-N 2.89Å; A1252-A1256 WeakPolarHBondContact O-CB 3.38Å; A1252-A1256 PolarHBondContact O-N 2.89Å
1253V67.4Low65.7Low95 Ų9569 Ų6958%0.57652%0.517SS*.Hα-helixtrans-65.6-42174.7171.10000111.3A1249 A1250 A1256 A1257A1249-V1253 WeakPolarHBondContact O-CG2 3.43Å; A1249-V1253 PolarHBondContact O-N 2.97Å; A1250-V1253 PolarHBondContact O-N 3.37Å; V1253-A1256 PolarHBondContact O-N 3.23Å; V1253-A1257 WeakPolarHBondContact O-CB 3.25Å; V1253-A1257 PolarHBondContact O-N 3.14Å
1254A67Low67.3Low36 Ų3671.4 Ų71.430%0.29852%0.517SS..Hα-helixtrans-63.4-41.9175.800000112.4Y1208 A1250 A1251 A1257 A1258Y1208-A1254 HydrophobicContact CE1-CB 4.29Å; Y1208-A1254 WeakPolarHBondContact OH-CA 3.39Å; A1250-A1254 WeakPolarHBondContact O-CB 3.23Å; A1250-A1254 PolarHBondContact O-N 3.4Å; A1251-A1254 PolarHBondContact O-N 2.89Å; A1254-A1257 PolarHBondContact O-N 3.28Å; A1254-A1258 WeakPolarHBondContact O-CB 3.49Å; A1254-A1258 PolarHBondContact O-N 2.96Å
1255A67.7Low68.6Low64 Ų6472.1 Ų72.153%0.52951%0.512SS..Hα-helixtrans-64.3-40.1174.600000112.4A1251 A1252 A1258 A1259A1251-A1255 WeakPolarHBondContact O-CB 3.25Å; A1251-A1255 PolarHBondContact O-N 3.5Å; A1252-A1255 PolarHBondContact O-N 2.89Å; A1255-A1258 PolarHBondContact O-N 2.96Å; A1255-A1259 WeakPolarHBondContact O-CB 3.46Å; A1255-A1259 PolarHBondContact O-N 3.32Å; A1255-A1259 VanDerWaalsContact O-N 3.09Å
1256A65.9Low69.4Low62 Ų6272.7 Ų72.751%0.51251%0.511SS..Hα-helixtrans-65.5-41.2175.300000112.3A1252 V1253 A1259 A1260A1252-A1256 WeakPolarHBondContact O-CB 3.38Å; A1252-A1256 PolarHBondContact O-N 2.89Å; V1253-A1256 PolarHBondContact O-N 3.23Å; A1256-A1259 PolarHBondContact O-N 2.91Å; A1256-A1260 PolarHBondContact O-N 3.39Å; A1256-A1260 VanDerWaalsContact O-N 3.14Å
1257A67.4Low70.4Confident36 Ų3675.3 Ų75.330%0.29851%0.512SS..Hα-helixtrans-64.8-39.3175.200000112.3V1253 A1254 A1259 A1260V1253-A1257 WeakPolarHBondContact O-CB 3.25Å; V1253-A1257 PolarHBondContact O-N 3.14Å; A1254-A1257 PolarHBondContact O-N 3.28Å; A1257-A1259 VanDerWaalsContact C-N 3.29Å; A1257-A1259 PolarHBondContact O-N 3.09Å; A1257-A1260 PolarHBondContact O-N 3.42Å
1258A70.9Confident71.2Confident92 Ų9276.8 Ų76.876%0.7651%0.511SS*.Hα-helixtrans-69.8-22.5175.900000113.9A1254 A1255A1254-A1258 WeakPolarHBondContact O-CB 3.49Å; A1254-A1258 PolarHBondContact O-N 2.96Å; A1255-A1258 PolarHBondContact O-N 2.96Å
1259A72.4Confident71.9Confident84 Ų8475.6 Ų75.669%0.69450%0.501SS*.Hα-helixtrans-91.9-12.117700000114.1A1255 A1256 A1257A1255-A1259 WeakPolarHBondContact O-CB 3.46Å; A1255-A1259 PolarHBondContact O-N 3.32Å; A1255-A1259 VanDerWaalsContact O-N 3.09Å; A1256-A1259 PolarHBondContact O-N 2.91Å; A1257-A1259 VanDerWaalsContact C-N 3.29Å; A1257-A1259 PolarHBondContact O-N 3.09Å
1260A74.1Confident72.4Confident30 Ų3076.6 Ų76.625%0.24850%0.502CS..SBendtrans-74.1141.1-177.300000112.3A1256 A1257 Q1264 L1265A1256-A1260 PolarHBondContact O-N 3.39Å; A1256-A1260 VanDerWaalsContact O-N 3.14Å; A1257-A1260 PolarHBondContact O-N 3.42Å; A1260-Q1264 HydrophobicContact CB-CB 4.04Å; A1260-L1265 HydrophobicContact CB-CD2 3.8Å; A1260-L1265 HydrophobicContact CB-CG 3.8Å
1261S81.8Confident72.4Confident54 Ų5478.4 Ų78.438%0.37850%0.499SS..  trans-69.3162.9170.775.50000111.5D1263 Q1264 L1265S1261-D1263 VanDerWaalsContact C-N 3.25Å; S1261-D1263 PolarHBondContact O-N 2.81Å; S1261-Q1264 WeakPolarHBondContact O-CB 3.2Å; S1261-Q1264 PolarHBondContact O-N 3.47Å; S1261-Q1264 WeakPolarHBondContact OG-CG 3.3Å; S1261-Q1264 PolarHBondContact OG-N 2.82Å; S1261-Q1264 VanDerWaalsContact OG-N 3.14Å; S1261-Q1264 PolarHBondContact OG-OE1 2.95Å; S1261-L1265 PolarHBondContact O-N 3.46Å
1262V81.3Confident72.3Confident122 Ų12281.1 Ų81.174%0.73951%0.505SS*.Hα-helixtrans-58.7-38.5175.8-1780000111.4L1265 L1266V1262-L1265 PolarHBondContact O-N 3.4Å; V1262-L1266 VanDerWaalsContact O-CB 3.26Å; V1262-L1266 WeakPolarHBondContact O-CB 3.48Å; V1262-L1266 PolarHBondContact O-N 2.95Å
1263D76.5Confident72.1Confident127 Ų12783.3 Ų83.368%0.67951%0.505SS*.Hα-helixtrans-63.7-38.2172.8-75.3-27.2000112.4S1261 H1267S1261-D1263 VanDerWaalsContact C-N 3.25Å; S1261-D1263 PolarHBondContact O-N 2.81Å; D1263-H1267 VanDerWaalsContact O-CB 3.23Å; D1263-H1267 WeakPolarHBondContact O-CB 3.01Å; D1263-H1267 PolarHBondContact O-N 3.35Å
1264Q80.7Confident71.4Confident115 Ų11582.6 Ų82.654%0.53750%0.504SS..Hα-helixtrans-70.6-39.9177.5-74.8171.3-36.400111.8A1260 S1261 H1267 L1268A1260-Q1264 HydrophobicContact CB-CB 4.04Å; S1261-Q1264 WeakPolarHBondContact O-CB 3.2Å; S1261-Q1264 PolarHBondContact O-N 3.47Å; S1261-Q1264 WeakPolarHBondContact OG-CG 3.3Å; S1261-Q1264 PolarHBondContact OG-N 2.82Å; S1261-Q1264 VanDerWaalsContact OG-N 3.14Å; S1261-Q1264 PolarHBondContact OG-OE1 2.95Å; Q1264-H1267 PolarHBondContact O-N 2.9Å; Q1264-L1268 VanDerWaalsContact O-CB 3.27Å; Q1264-L1268 WeakPolarHBondContact O-CB 3.35Å; Q1264-L1268 PolarHBondContact O-N 3.26Å
1265L81.2Confident70.7Confident78 Ų7885.8 Ų85.841%0.40852%0.516SS..Hα-helixtrans-66.6-39.5173.9-69.4173.8000111.5A1260 S1261 V1262 L1268 A1269A1260-L1265 HydrophobicContact CB-CD2 3.8Å; A1260-L1265 HydrophobicContact CB-CG 3.8Å; S1261-L1265 PolarHBondContact O-N 3.46Å; V1262-L1265 PolarHBondContact O-N 3.4Å; L1265-L1268 PolarHBondContact O-N 2.96Å; L1265-A1269 VanDerWaalsContact O-CB 3.31Å; L1265-A1269 WeakPolarHBondContact O-CB 3.46Å; L1265-A1269 PolarHBondContact O-N 2.91Å
1266L79.1Confident70.2Confident107 Ų10785.4 Ų85.456%0.5651%0.505SS*.Hα-helixtrans-66-44.8174.2-178.261.7000111.5V1262 L1268 A1269 V1270V1262-L1266 VanDerWaalsContact O-CB 3.26Å; V1262-L1266 WeakPolarHBondContact O-CB 3.48Å; V1262-L1266 PolarHBondContact O-N 2.95Å; L1266-L1268 VanDerWaalsContact C-N 3.33Å; L1266-L1268 PolarHBondContact O-N 3.48Å; L1266-A1269 PolarHBondContact O-N 2.95Å; L1266-V1270 HydrophobicContact CD1-CG2 4.42Å; L1266-V1270 WeakPolarHBondContact O-CB 3.27Å; L1266-V1270 VanDerWaalsContact O-CG2 3.3Å; L1266-V1270 WeakPolarHBondContact O-CG2 3.48Å; L1266-V1270 PolarHBondContact O-N 3.43Å
1267H73.2Confident69.7Low117 Ų11785.4 Ų85.454%0.54251%0.511SS..Hα-helixtrans-64.6-37.2175.8-169-74.1000111.7D1263 Q1264 Q1271D1263-H1267 VanDerWaalsContact O-CB 3.23Å; D1263-H1267 WeakPolarHBondContact O-CB 3.01Å; D1263-H1267 PolarHBondContact O-N 3.35Å; Q1264-H1267 PolarHBondContact O-N 2.9Å; H1267-Q1271 PolarHBondContact CE1-OE1 3.39Å; H1267-Q1271 VanDerWaalsContact ND1-CD 3.29Å; H1267-Q1271 PolarHBondContact ND1-OE1 2.86Å; H1267-Q1271 WeakPolarHBondContact O-CB 3.46Å; H1267-Q1271 VanDerWaalsContact O-CG 3.25Å; H1267-Q1271 WeakPolarHBondContact O-CG 3.31Å; H1267-Q1271 PolarHBondContact O-N 3.44Å; H1267-Q1271 PolarHBondContact O-OE1 3Å
1268L74.5Confident70Confident94 Ų9493.8 Ų93.849%0.49254%0.535SS..Hα-helixtrans-68.6-41.6174.9-160.480.8000111.4Q1264 L1265 L1266 Q1271 L1272Q1264-L1268 VanDerWaalsContact O-CB 3.27Å; Q1264-L1268 WeakPolarHBondContact O-CB 3.35Å; Q1264-L1268 PolarHBondContact O-N 3.26Å; L1265-L1268 PolarHBondContact O-N 2.96Å; L1266-L1268 VanDerWaalsContact C-N 3.33Å; L1266-L1268 PolarHBondContact O-N 3.48Å; L1268-Q1271 PolarHBondContact O-N 2.99Å; L1268-L1272 HydrophobicContact CG-CD1 4.39Å; L1268-L1272 WeakPolarHBondContact O-CB 3.43Å; L1268-L1272 VanDerWaalsContact O-CG 3.25Å; L1268-L1272 WeakPolarHBondContact O-CG 3.37Å; L1268-L1272 PolarHBondContact O-N 3.29Å
1269A73.7Confident70.5Confident38 Ų3890.1 Ų90.131%0.31451%0.507SS..Hα-helixtrans-60.3-49.1173.500000111L1265 L1266 Q1271 L1272 E1273L1265-A1269 VanDerWaalsContact O-CB 3.31Å; L1265-A1269 WeakPolarHBondContact O-CB 3.46Å; L1265-A1269 PolarHBondContact O-N 2.91Å; L1266-A1269 PolarHBondContact O-N 2.95Å; A1269-Q1271 VanDerWaalsContact C-N 3.28Å; A1269-Q1271 PolarHBondContact O-N 3.46Å; A1269-L1272 CarbonylContact O-C 3.58Å; A1269-L1272 WeakPolarHBondContact O-CA 3.37Å; A1269-L1272 PolarHBondContact O-N 2.9Å; A1269-E1273 WeakPolarHBondContact O-CG 3.35Å; A1269-E1273 PolarHBondContact O-N 2.92Å
1270V71.1Confident71.1Confident75 Ų7587 Ų8746%0.45548%0.478SS..Hα-helixtrans-60.3-35.1174.3170.40000111.6L1266 S1274L1266-V1270 HydrophobicContact CD1-CG2 4.42Å; L1266-V1270 WeakPolarHBondContact O-CB 3.27Å; L1266-V1270 VanDerWaalsContact O-CG2 3.3Å; L1266-V1270 WeakPolarHBondContact O-CG2 3.48Å; L1266-V1270 PolarHBondContact O-N 3.43Å; V1270-S1274 WeakPolarHBondContact O-CA 3.23Å; V1270-S1274 WeakPolarHBondContact O-CB 3.36Å; V1270-S1274 PolarHBondContact O-N 3.32Å
1271Q65.3Low71.7Confident98 Ų9887.6 Ų87.646%0.45848%0.48SS..Hα-helixtrans-70.3-32.7172.7-76.8176.9-66.200113.3H1267 L1268 A1269 N1275H1267-Q1271 PolarHBondContact CE1-OE1 3.39Å; H1267-Q1271 VanDerWaalsContact ND1-CD 3.29Å; H1267-Q1271 PolarHBondContact ND1-OE1 2.86Å; H1267-Q1271 WeakPolarHBondContact O-CB 3.46Å; H1267-Q1271 VanDerWaalsContact O-CG 3.25Å; H1267-Q1271 WeakPolarHBondContact O-CG 3.31Å; H1267-Q1271 PolarHBondContact O-N 3.44Å; H1267-Q1271 PolarHBondContact O-OE1 3Å; L1268-Q1271 PolarHBondContact O-N 2.99Å; A1269-Q1271 VanDerWaalsContact C-N 3.28Å; A1269-Q1271 PolarHBondContact O-N 3.46Å; Q1271-N1275 PolarHBondContact O-N 3.31Å; Q1271-N1275 PolarHBondContact O-ND2 3.48Å
1272L63.1Low72Confident118 Ų11891 Ų9162%0.61849%0.488SS*.Hα-helixtrans-75.1-33.9175.3-69.4167.1000112L1268 A1269 N1275L1268-L1272 HydrophobicContact CG-CD1 4.39Å; L1268-L1272 WeakPolarHBondContact O-CB 3.43Å; L1268-L1272 VanDerWaalsContact O-CG 3.25Å; L1268-L1272 WeakPolarHBondContact O-CG 3.37Å; L1268-L1272 PolarHBondContact O-N 3.29Å; A1269-L1272 CarbonylContact O-C 3.58Å; A1269-L1272 WeakPolarHBondContact O-CA 3.37Å; A1269-L1272 PolarHBondContact O-N 2.9Å; L1272-N1275 WeakPolarHBondContact O-CB 3.38Å; L1272-N1275 PolarHBondContact O-N 3.33Å
1273E58.8Low72.2Confident108 Ų10891 Ų9151%0.50548%0.481SS..Hα-helixtrans-76.1-36.2172.6-69.2171.4179.800112.1A1269 N1275 R1363A1269-E1273 WeakPolarHBondContact O-CG 3.35Å; A1269-E1273 PolarHBondContact O-N 2.92Å; E1273-N1275 PolarHBondContact O-N 3.02Å; E1273-R1363 PolarHBondContact O-NH2 3.43Å
1274S54.7Low72.8Confident80 Ų8088.7 Ų88.756%0.55947%0.466SS*.SBendtrans-72.1-6.5172.1-177.80000113V1270 N1276V1270-S1274 WeakPolarHBondContact O-CA 3.23Å; V1270-S1274 WeakPolarHBondContact O-CB 3.36Å; V1270-S1274 PolarHBondContact O-N 3.32Å; S1274-N1276 PolarHBondContact O-N 2.91Å
1275N52Low73.2Confident103 Ų10383.5 Ų83.555%0.55144%0.441SS*.  trans-73.862.3167.4-85.1-37000111.2Q1271 L1272 E1273 G1277 R1278Q1271-N1275 PolarHBondContact O-N 3.31Å; Q1271-N1275 PolarHBondContact O-ND2 3.48Å; L1272-N1275 WeakPolarHBondContact O-CB 3.38Å; L1272-N1275 PolarHBondContact O-N 3.33Å; E1273-N1275 PolarHBondContact O-N 3.02Å; N1275-G1277 PolarHBondContact O-N 3.49Å; N1275-R1278 PolarHBondContact O-N 3Å
1276N55.5Low73.5Confident56 Ų5685.4 Ų85.430%0.29945%0.448SS..THydrogen-bonded Turntrans-59.95.9168.2-72.1-17.9000114.2S1274 R1363S1274-N1276 PolarHBondContact O-N 2.91Å; N1276-R1363 VanDerWaalsContact OD1-CZ 3.23Å; N1276-R1363 PolarHBondContact OD1-NE 2.98Å; N1276-R1363 PolarHBondContact OD1-NH2 3.46Å
1277G57.3Low74Confident62 Ų6283.2 Ų83.264%0.63944%0.442SS*.THydrogen-bonded Turntrans-87.8-1.8167.500000114.6N1275 T1361N1275-G1277 PolarHBondContact O-N 3.49Å; G1277-T1361 CarbonylContact C-O 3.51Å
1278R72Confident74.7Confident211 Ų21177.8 Ų77.880%0.79642%0.417SS*.SBendtrans-80.6128.9159-159.4179.5-175.2-176.50.5108.5N1275N1275-R1278 PolarHBondContact O-N 3Å
1279G83.1Confident75.5Confident16 Ų1676.7 Ų76.717%0.16542%0.415CS..PPolyproline II helixtrans-75.9172.8169.100000112.6L1359G1279-L1359 CarbonylContact C-O 3.55Å; G1279-L1359 WeakPolarHBondContact CA-O 3.3Å
1280L84.3Confident76.3Confident17 Ų1778.8 Ų78.89%0.08942%0.42CS..PPolyproline II helixtrans-62150.8171.5-86.365.1000110.7E1284 L1285 L1288 L1359 R1363 A1372L1280-E1284 WeakPolarHBondContact CA-OE2 3.42Å; L1280-E1284 HydrophobicContact CB-CB 4.04Å; L1280-E1284 HydrophobicContact CD2-CB 4.07Å; L1280-E1284 HydrophobicContact CG-CB 4Å; L1280-L1285 HydrophobicContact CB-CB 4.38Å; L1280-L1288 HydrophobicContact CD2-CD1 4.05Å; L1280-L1359 HydrophobicContact CD1-CD2 4.21Å; L1280-L1359 PolarHBondContact N-O 3.29Å; L1280-R1363 VanDerWaalsContact CD1-CA 3.48Å; L1280-R1363 HydrophobicContact CD1-CB 3.53Å; L1280-A1372 HydrophobicContact CD1-CB 4.11Å; L1280-A1372 HydrophobicContact CD2-CB 4.2Å
1281S87.2Confident77.3Confident43 Ų4379.3 Ų79.330%0.30141%0.414SS..PPolyproline II helixtrans-62165.5162.1103.60000110.7E1283 E1284 L1285S1281-E1283 VanDerWaalsContact C-N 3.27Å; S1281-E1283 VanDerWaalsContact CB-OE2 3.22Å; S1281-E1283 WeakPolarHBondContact CB-OE2 3.45Å; S1281-E1283 PolarHBondContact O-N 3.49Å; S1281-E1283 PolarHBondContact OG-N 2.96Å; S1281-E1283 PolarHBondContact OG-OE2 3.47Å; S1281-E1284 PolarHBondContact N-OE2 3.49Å; S1281-E1284 PolarHBondContact OG-N 2.97Å; S1281-L1285 VanDerWaalsContact O-CB 3.27Å; S1281-L1285 WeakPolarHBondContact O-CB 3.42Å; S1281-L1285 PolarHBondContact O-N 2.86Å
1282K87Confident78.6Confident125 Ų12579.6 Ų79.654%0.54342%0.418SS..Hα-helixtrans-64-39.7176.6-177.6-164.3164.9-155.90110.5L1285 E1286K1282-L1285 PolarHBondContact O-N 2.94Å; K1282-E1286 VanDerWaalsContact CE-CD 3.41Å; K1282-E1286 WeakPolarHBondContact CE-OE1 3.27Å; K1282-E1286 VanDerWaalsContact CE-OE2 3.31Å; K1282-E1286 WeakPolarHBondContact CE-OE2 3.2Å; K1282-E1286 IonicContact NZ-OE1 3.73Å; K1282-E1286 IonicContact NZ-OE2 3.77Å; K1282-E1286 WeakPolarHBondContact O-CB 3.49Å; K1282-E1286 WeakPolarHBondContact O-CG 3.47Å; K1282-E1286 PolarHBondContact O-N 3.5Å
1283E86.7Confident79.9Confident124 Ų12474.8 Ų74.858%0.57939%0.392SS*.Hα-helixtrans-69.8-44.4-177.8-52.667.4-144.300110.9S1281 L1285 E1286 S1287S1281-E1283 VanDerWaalsContact C-N 3.27Å; S1281-E1283 VanDerWaalsContact CB-OE2 3.22Å; S1281-E1283 WeakPolarHBondContact CB-OE2 3.45Å; S1281-E1283 PolarHBondContact O-N 3.49Å; S1281-E1283 PolarHBondContact OG-N 2.96Å; S1281-E1283 PolarHBondContact OG-OE2 3.47Å; E1283-L1285 VanDerWaalsContact C-N 3.31Å; E1283-L1285 PolarHBondContact O-N 3.5Å; E1283-E1286 PolarHBondContact O-N 2.95Å; E1283-S1287 PolarHBondContact O-N 3.34Å
1284E87.8Confident81.1Confident78 Ų7874.2 Ų74.236%0.36440%0.396SS..Hα-helixtrans-59.8-42.4172.1-69.5176.6144.400111.4L1280 S1281 S1287 F1373L1280-E1284 WeakPolarHBondContact CA-OE2 3.42Å; L1280-E1284 HydrophobicContact CB-CB 4.04Å; L1280-E1284 HydrophobicContact CD2-CB 4.07Å; L1280-E1284 HydrophobicContact CG-CB 4Å; S1281-E1284 PolarHBondContact N-OE2 3.49Å; S1281-E1284 PolarHBondContact OG-N 2.97Å; E1284-S1287 PolarHBondContact O-N 3.36Å; E1284-S1287 PolarHBondContact O-OG 3.37Å; E1284-F1373 HydrophobicContact CB-CD2 4.31Å; E1284-F1373 HydrophobicContact CG-CD2 4.48Å; E1284-F1373 HydrophobicContact CG-CE2 4.46Å
1285L89.2Confident82.2Confident5 Ų572.5 Ų72.53%0.02638%0.384CS..Hα-helixtrans-67.3-42.4178.2-179.860.7000112.1L1280 S1281 K1282 E1283 S1287 L1288 R1342 D1356 L1359 K1360L1280-L1285 HydrophobicContact CB-CB 4.38Å; S1281-L1285 VanDerWaalsContact O-CB 3.27Å; S1281-L1285 WeakPolarHBondContact O-CB 3.42Å; S1281-L1285 PolarHBondContact O-N 2.86Å; K1282-L1285 PolarHBondContact O-N 2.94Å; E1283-L1285 VanDerWaalsContact C-N 3.31Å; E1283-L1285 PolarHBondContact O-N 3.5Å; L1285-S1287 VanDerWaalsContact C-N 3.26Å; L1285-S1287 PolarHBondContact O-N 2.97Å; L1285-L1288 HydrophobicContact CD1-CD1 4.46Å; L1285-L1288 PolarHBondContact O-N 3.49Å; L1285-R1342 VanDerWaalsContact O-CZ 3.29Å; L1285-R1342 PolarHBondContact O-NH1 3.32Å; L1285-D1356 HydrophobicContact CD1-CB 4.49Å; L1285-D1356 HydrophobicContact CD2-CB 3.94Å; L1285-L1359 HydrophobicContact CD1-CB 3.86Å; L1285-L1359 HydrophobicContact CD1-CD1 3.46Å; L1285-L1359 VanDerWaalsContact CD1-CD1 3.46Å; L1285-L1359 HydrophobicContact CD1-CG 4.32Å; L1285-K1360 HydrophobicContact CD2-CG 4.29Å
1286E88.1Confident82.8Confident118 Ų11876.4 Ų76.455%0.55140%0.396SS*.Hα-helixtrans-68.5-23.5177.2-75.4172.9171.500112.4K1282 E1283 L1288K1282-E1286 VanDerWaalsContact CE-CD 3.41Å; K1282-E1286 WeakPolarHBondContact CE-OE1 3.27Å; K1282-E1286 VanDerWaalsContact CE-OE2 3.31Å; K1282-E1286 WeakPolarHBondContact CE-OE2 3.2Å; K1282-E1286 IonicContact NZ-OE1 3.73Å; K1282-E1286 IonicContact NZ-OE2 3.77Å; K1282-E1286 WeakPolarHBondContact O-CB 3.49Å; K1282-E1286 WeakPolarHBondContact O-CG 3.47Å; K1282-E1286 PolarHBondContact O-N 3.5Å; E1283-E1286 PolarHBondContact O-N 2.95Å; E1286-L1288 VanDerWaalsContact C-N 3.28Å; E1286-L1288 PolarHBondContact O-N 3.36Å
1287S89Confident82.6Confident62 Ų6281.7 Ų81.743%0.43442%0.419SS..THydrogen-bonded Turntrans-69.8-15174.183.30000115.5E1283 E1284 L1285 F1373E1283-S1287 PolarHBondContact O-N 3.34Å; E1284-S1287 PolarHBondContact O-N 3.36Å; E1284-S1287 PolarHBondContact O-OG 3.37Å; L1285-S1287 VanDerWaalsContact C-N 3.26Å; L1285-S1287 PolarHBondContact O-N 2.97Å; S1287-F1373 WeakPolarHBondContact OG-CE2 3.25Å
1288L88.5Confident81.8Confident3 Ų383.4 Ų83.42%0.01642%0.421CS..SBendtrans-82132.6-177.9-68.8175.8000111.4L1280 L1285 E1286 I1290 R1342 M1344 R1345 L1359 A1372L1280-L1288 HydrophobicContact CD2-CD1 4.05Å; L1285-L1288 HydrophobicContact CD1-CD1 4.46Å; L1285-L1288 PolarHBondContact O-N 3.49Å; E1286-L1288 VanDerWaalsContact C-N 3.28Å; E1286-L1288 PolarHBondContact O-N 3.36Å; L1288-I1290 PolarHBondContact O-N 2.98Å; L1288-R1342 HydrophobicContact CB-CG 4.04Å; L1288-R1342 PolarHBondContact O-NH1 3.29Å; L1288-M1344 HydrophobicContact CD1-CE 4.02Å; L1288-M1344 HydrophobicContact CD1-SD 4.38Å; L1288-R1345 HydrophobicContact CD2-CG 4.1Å; L1288-L1359 HydrophobicContact CD1-CD1 3.79Å; L1288-A1372 WeakPolarHBondContact CD2-O 3.36Å
1289P90.4Very high80.6Confident70 Ų7080.6 Ų80.646%0.45542%0.421SS..  trans-62.1129.4-170.223.8-33.2000112.9R1342 Q1343P1289-R1342 WeakPolarHBondContact O-CA 3.29Å; P1289-Q1343 HydrophobicContact CG-CB 4.32Å; P1289-Q1343 WeakPolarHBondContact CG-O 3.46Å; P1289-Q1343 PolarHBondContact O-N 3.5Å
1290I92.1Very high78.8Confident83 Ų8385 Ų8543%0.42645%0.45SS..EExtended strand (participates in β ladder)trans-107.4133171.5-53.3177.6000108.3L1288 Q1340 I1341 R1342L1288-I1290 PolarHBondContact O-N 2.98Å; I1290-Q1340 HydrophobicContact CG2-CB 3.95Å; I1290-Q1340 HydrophobicContact CG2-CG 4.24Å; I1290-I1341 CarbonylContact C-O 3.59Å; I1290-I1341 WeakPolarHBondContact CA-O 3.4Å; I1290-R1342 HydrophobicContact CG1-CB 4.48Å; I1290-R1342 HydrophobicContact CG1-CG 4.4Å; I1290-R1342 VanDerWaalsContact CG1-NH1 3.34Å
1291R91.7Very high77Confident86 Ų8692.4 Ų92.433%0.32549%0.489SS..EExtended strand (participates in β ladder)trans-123155.4169.765.5179.8-167.478.8-7.2109.8I1341 E1349R1291-I1341 HydrophobicContact CG-CB 4.15Å; R1291-I1341 PolarHBondContact N-O 3.17Å; R1291-I1341 PolarHBondContact O-N 3.36Å; R1291-I1341 VanDerWaalsContact O-O 3.12Å; R1291-E1349 IonicContact CZ-OE1 2.7Å; R1291-E1349 IonicContact CZ-OE2 2.77Å; R1291-E1349 IonicContact NE-OE1 3.16Å; R1291-E1349 PolarHBondContact NE-OE1 3.48Å; R1291-E1349 IonicContact NE-OE2 2.91Å; R1291-E1349 VanDerWaalsContact NH2-CD 3.33Å; R1291-E1349 IonicContact NH2-OE1 3.98Å; R1291-E1349 PolarHBondContact NH2-OE1 3.02Å; R1291-E1349 IonicContact NH2-OE2 3.3Å; R1291-E1349 PolarHBondContact NH2-OE2 3.13Å
1292L91.8Very high75Confident103 Ų10395.6 Ų95.654%0.53951%0.511SS..EExtended strand (participates in β ladder)trans-78.5145.8165.7-57.3-176.1000109.3Q1339 Q1340L1292-Q1339 CarbonylContact C-O 3.03Å; L1292-Q1339 WeakPolarHBondContact CA-O 3.39Å; L1292-Q1340 HydrophobicContact CD2-CG 3.88Å
1293Y90.2Very high72.9Confident18 Ų1895.3 Ų95.37%0.07153%0.525CS..  trans-78.9142.6167.8-173.2-103.7000110.9D1326 Y1335 A1336 S1338 Q1339 I1341Y1293-D1326 WeakPolarHBondContact OH-CB 3.45Å; Y1293-D1326 PolarHBondContact OH-OD1 3.48Å; Y1293-Y1335 AromaticContact CD2-CD2 3.79Å; Y1293-Y1335 HydrophobicContact CD2-CD2 3.79Å; Y1293-Y1335 AromaticContact CD2-CG 3.99Å; Y1293-Y1335 HydrophobicContact CD2-CG 3.99Å; Y1293-Y1335 WeakPolarHBondContact CE1-O 3.47Å; Y1293-Y1335 AromaticContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CG 4.16Å; Y1293-Y1335 HydrophobicContact CG-CG 4.29Å; Y1293-A1336 WeakPolarHBondContact CD1-O 3.35Å; Y1293-S1338 PolarHBondContact O-N 3.29Å; Y1293-Q1339 PolarHBondContact N-O 2.99Å; Y1293-I1341 HydrophobicContact CD2-CG1 4.47Å
1294T84.2Confident70.5Confident96 Ų9693 Ų9359%0.58953%0.534SS*.  trans-136.2115.7167.449.40000108
1295S77.8Confident68.4Low44 Ų4498.6 Ų98.631%0.30856%0.557SS.*  trans-64.4142.1169.870.30000108.9H1297 D1337S1295-H1297 PolarHBondContact O-N 3Å; S1295-D1337 VanDerWaalsContact CB-OD1 3.27Å; S1295-D1337 WeakPolarHBondContact CB-OD1 3.2Å; S1295-D1337 PolarHBondContact N-OD1 3.15Å; S1295-D1337 PolarHBondContact OG-OD1 3.14Å; S1295-D1337 PolarHBondContact OG-OD2 3.4Å
1296K65.5Low65.9Low184 Ų184103.8 Ų103.880%0.859%0.591SS**SBendtrans-93.531.9-179.5-66179.3180171.40111.8
1297H50.6Low63.3Low168 Ų168104.9 Ų104.978%0.77860%0.601SS**  trans-127.132.7-157.1-98.8-77.8000116.6S1295S1295-H1297 PolarHBondContact O-N 3Å
1298S40.5Very low60.8Low98 Ų98108.2 Ų108.269%0.68562%0.618SS**SBendtrans-150.8139.7149.257.50000112.2
1299D46.1Very low58.7Low151 Ų151112.2 Ų112.281%0.80764%0.643SS**SBendtrans71.2123.9162.5-54.5-25.3000121.1
1300S46.9Very low56.6Low110 Ų110115.9 Ų115.977%0.76966%0.657SS**  trans74.592.6148.4-55.90000121.2
1301L45.5Very low54.3Low172 Ų172114 Ų11490%0.90165%0.651SS**  trans31.4127.6137-74.574000121.1
1302S45.4Very low52.1Low110 Ų110115.4 Ų115.477%0.76967%0.665SS**  trans94127.9143.9-157.20000120
1303S42.3Very low49.5Very low119 Ų119117.7 Ų117.783%0.83267%0.673SS**  trans63.7111.5149.5-570000120.4
1304G36.5Very low47.4Very low74 Ų74121.6 Ų121.676%0.76370%0.699SS**  trans124.497.3156.100000115.4P1306G1304-P1306 WeakPolarHBondContact O-CD 3.43Å
1305K43.7Very low45.1Very low196 Ų196124.6 Ų124.685%0.85270%0.704SS**  trans-89.7120.4165.5-79.6-171.7175.5-173.80110.8
1306P37.3Very low43.2Very low114 Ų114127.4 Ų127.474%0.7472%0.719SS**  trans-89.4131.4145.832.4-28.8000109.9G1304G1304-P1306 WeakPolarHBondContact O-CD 3.43Å
1307N32.9Very low41.7Very low142 Ų142126.1 Ų126.176%0.75972%0.721SS**  trans-90.7103.3179.3-67.9-29.7000111.3
1308T37.3Very low41.2Very low131 Ų131123.9 Ų123.980%0.80472%0.719SS**  trans-158.981.9160.547.10000112.5
1309T45Very low41.1Very low88 Ų88128.3 Ų128.354%0.5473%0.729SS.*  trans-155107.7155.815.10000108.6C1311T1309-C1311 PolarHBondContact O-N 2.92Å
1310I46.3Very low40.7Very low146 Ų146128.5 Ų128.575%0.74973%0.73SS**  trans-9783.9169.8-56.8179000107.6
1311C42.5Very low40.2Very low43 Ų43131.2 Ų131.229%0.29174%0.736SS.*  trans-88.6127.5162-40.90000105.6T1309 E1313 C1325T1309-C1311 PolarHBondContact O-N 2.92Å; C1311-E1313 PolarHBondContact O-N 3.36Å; C1311-E1313 VanDerWaalsContact O-N 3.08Å; C1311-C1325 HydrophobicContact CB-CB 4.17Å; C1311-C1325 WeakPolarHBondContact CB-SG 3.41Å; C1311-C1325 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1325 WeakPolarHBondContact SG-CB 3.37Å; C1311-C1325 CovalentContact SG-SG 2.02Å; C1311-C1325 PolarHBondContact SG-SG 2.95Å
1312N45Very low40Very low117 Ų117126.6 Ų126.663%0.62671%0.714SS**  trans-65.2114.1-172.7-64.5-50.4000110.1V1314N1312-V1314 VanDerWaalsContact C-N 3.29Å; N1312-V1314 PolarHBondContact O-N 2.92Å
1313E39Very low40Very low151 Ų151123.5 Ų123.571%0.70669%0.693SS**  trans-68.778.1-178.6-70.7-162.5136.400112.8C1311 K1315C1311-E1313 PolarHBondContact O-N 3.36Å; C1311-E1313 VanDerWaalsContact O-N 3.08Å; E1313-K1315 VanDerWaalsContact C-N 3.3Å; E1313-K1315 HydrophobicContact CB-CG 4.43Å; E1313-K1315 PolarHBondContact O-N 3.12Å; E1313-K1315 VanDerWaalsContact O-N 3.12Å; E1313-K1315 IonicContact OE1-NZ 2.71Å; E1313-K1315 PolarHBondContact OE1-NZ 2.93Å; E1313-K1315 IonicContact OE2-NZ 3.59Å; E1313-K1315 PolarHBondContact OE2-NZ 3.37Å
1314V45.5Very low40.5Very low100 Ų100123.3 Ų123.361%0.60668%0.679SS**  trans-81.682.1163-175.10000107.6N1312 T1316N1312-V1314 VanDerWaalsContact C-N 3.29Å; N1312-V1314 PolarHBondContact O-N 2.92Å; V1314-T1316 HydrophobicContact CG1-CG2 4.29Å; V1314-T1316 PolarHBondContact O-N 3.06Å
1315K36.8Very low41.8Very low159 Ų159121.6 Ų121.669%0.69166%0.655SS**  trans-68.772.1-179.5-73.4-166.5166.3100.40112.9E1313 N1317E1313-K1315 VanDerWaalsContact C-N 3.3Å; E1313-K1315 HydrophobicContact CB-CG 4.43Å; E1313-K1315 PolarHBondContact O-N 3.12Å; E1313-K1315 VanDerWaalsContact O-N 3.12Å; E1313-K1315 IonicContact OE1-NZ 2.71Å; E1313-K1315 PolarHBondContact OE1-NZ 2.93Å; E1313-K1315 IonicContact OE2-NZ 3.59Å; E1313-K1315 PolarHBondContact OE2-NZ 3.37Å; K1315-N1317 PolarHBondContact O-N 3.16Å
1316T37Very low43.7Very low102 Ų102114.3 Ų114.363%0.62663%0.625SS**  trans-78.4112.8165.941.40000110.4V1314 T1318V1314-T1316 HydrophobicContact CG1-CG2 4.29Å; V1314-T1316 PolarHBondContact O-N 3.06Å; T1316-T1318 PolarHBondContact O-N 3.22Å
1317N34Very low46.3Very low158 Ų158112.9 Ų112.985%0.84561%0.605SS**  trans-75.781.3-172.8-176.218.5000113K1315K1315-N1317 PolarHBondContact O-N 3.16Å
1318T40.1Very low49.3Very low120 Ų120106.1 Ų106.174%0.73657%0.569SS**  trans-139.6130.4168.845.30000110.7T1316 N1320T1316-T1318 PolarHBondContact O-N 3.22Å; T1318-N1320 PolarHBondContact O-N 3.1Å; T1318-N1320 VanDerWaalsContact O-N 3.11Å
1319Q38.6Very low51.9Low191 Ų191104.2 Ų104.289%0.89355%0.552SS**SBendtrans-75.498.5-171.7-67.4169.7-32.500112.5
1320N38.4Very low54.2Low155 Ų155102.9 Ų102.983%0.82954%0.541SS*.  trans-168.880.8154.4-98.6-15.1000107.3T1318 V1322T1318-N1320 PolarHBondContact O-N 3.1Å; T1318-N1320 VanDerWaalsContact O-N 3.11Å; N1320-V1322 VanDerWaalsContact C-N 3.26Å; N1320-V1322 PolarHBondContact O-N 2.76Å
1321D35.8Very low56.5Low167 Ų16798.1 Ų98.189%0.89352%0.52SS*.  trans-83.363.1-164.1-150.910.2000112.3
1322V41.7Very low58.9Low75 Ų75101.9 Ų101.946%0.45554%0.537SS..  trans-80.3110158.71780000106.1N1320 E1324 R1327N1320-V1322 VanDerWaalsContact C-N 3.26Å; N1320-V1322 PolarHBondContact O-N 2.76Å; V1322-E1324 PolarHBondContact O-N 3.23Å; V1322-R1327 HydrophobicContact CG1-CG 4.28Å
1323S44.4Very low61.2Low45 Ų45101 Ų10132%0.31553%0.532SS..  trans-52129.9-175.6-14.70000110.5C1325 D1326S1323-C1325 PolarHBondContact O-N 3.33Å; S1323-D1326 WeakPolarHBondContact CB-OD2 3.45Å; S1323-D1326 PolarHBondContact O-N 3.42Å; S1323-D1326 PolarHBondContact OG-OD2 2.96Å
1324E53.8Low63.7Low116 Ų11698.2 Ų98.254%0.54252%0.522SS..G310 helixtrans-65.8-8.8177.3-60.6-161.9127.200113.1V1322 D1326 R1327V1322-E1324 PolarHBondContact O-N 3.23Å; E1324-D1326 VanDerWaalsContact C-N 3.31Å; E1324-R1327 IonicContact OE1-NH2 2.95Å
1325C63.7Low66Low37 Ų3794.1 Ų94.125%0.2550%0.495CS..G310 helixtrans-62.8-31.5164.2-61.60000114.3C1311 S1323 R1327 Y1335C1311-C1325 HydrophobicContact CB-CB 4.17Å; C1311-C1325 WeakPolarHBondContact CB-SG 3.41Å; C1311-C1325 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1325 WeakPolarHBondContact SG-CB 3.37Å; C1311-C1325 CovalentContact SG-SG 2.02Å; C1311-C1325 PolarHBondContact SG-SG 2.95Å; S1323-C1325 PolarHBondContact O-N 3.33Å; C1325-R1327 VanDerWaalsContact C-N 3.33Å; C1325-R1327 PolarHBondContact O-N 3.35Å; C1325-Y1335 VanDerWaalsContact O-CE2 3.3Å; C1325-Y1335 WeakPolarHBondContact O-CE2 3.36Å
1326D83.6Confident68.4Low43 Ų4388.8 Ų88.823%0.2348%0.481CS..G310 helixtrans-98.819.8-157.9-59.6-24.2000112.3Y1293 S1323 E1324 Y1335Y1293-D1326 WeakPolarHBondContact OH-CB 3.45Å; Y1293-D1326 PolarHBondContact OH-OD1 3.48Å; S1323-D1326 WeakPolarHBondContact CB-OD2 3.45Å; S1323-D1326 PolarHBondContact O-N 3.42Å; S1323-D1326 PolarHBondContact OG-OD2 2.96Å; E1324-D1326 VanDerWaalsContact C-N 3.31Å; D1326-Y1335 WeakPolarHBondContact O-CD2 3.46Å; D1326-Y1335 PolarHBondContact O-N 3.48Å
1327R91Very high70.8Confident84 Ų8488.2 Ų88.232%0.31748%0.475SS..BIsolated β-bridgetrans-136.4142.7-173.7-51.3-165.5-71.2175-5.9112.5V1322 E1324 C1325 M1329 D1334 Y1335V1322-R1327 HydrophobicContact CG1-CG 4.28Å; E1324-R1327 IonicContact OE1-NH2 2.95Å; C1325-R1327 VanDerWaalsContact C-N 3.33Å; C1325-R1327 PolarHBondContact O-N 3.35Å; R1327-M1329 PolarHBondContact O-N 3.46Å; R1327-D1334 WeakPolarHBondContact CD-OD1 3.44Å; R1327-D1334 VanDerWaalsContact CG-OD1 3.24Å; R1327-D1334 WeakPolarHBondContact CG-OD1 3.4Å; R1327-Y1335 PolarHBondContact O-OH 2.98Å
1328C95.4Very high73.3Confident0 Ų085 Ų850%047%0.465CS..  trans-82.4106.9-178.9-174.40000111.6I1330 C1331 L1332 D1333 Y1335 H1351C1328-I1330 PolarHBondContact O-N 3.46Å; C1328-C1331 VanDerWaalsContact CB-SG 3.59Å; C1328-C1331 PolarHBondContact O-N 3.43Å; C1328-C1331 VanDerWaalsContact SG-SG 3.68Å; C1328-L1332 VanDerWaalsContact O-CA 3.26Å; C1328-L1332 WeakPolarHBondContact O-CA 3.47Å; C1328-L1332 PolarHBondContact O-N 3.35Å; C1328-D1333 PolarHBondContact N-O 2.94Å; C1328-Y1335 HydrophobicContact CB-CD1 4.28Å; C1328-Y1335 HydrophobicContact CB-CE1 3.57Å; C1328-H1351 WeakPolarHBondContact CB-CE1 3.47Å; C1328-H1351 WeakPolarHBondContact CB-ND1 3.4Å; C1328-H1351 PolarHBondContact SG-N 3.05Å; C1328-H1351 VanDerWaalsContact SG-N 3.37Å; C1328-H1351 PolarHBondContact SG-ND1 2.78Å
1329M92.4Very high75.8Confident91 Ų9182.5 Ų82.545%0.44844%0.444SS..THydrogen-bonded Turntrans-69.716.7-177.1-61.4-65.1-75.200115.7R1327 F1350 L1367R1327-M1329 PolarHBondContact O-N 3.46Å; M1329-F1350 HydrophobicContact CB-CE1 4.13Å; M1329-L1367 HydrophobicContact CB-CD1 3.92Å; M1329-L1367 HydrophobicContact CB-CD2 3.83Å; M1329-L1367 HydrophobicContact CB-CG 4.13Å; M1329-L1367 HydrophobicContact CE-CD2 4.13Å; M1329-L1367 HydrophobicContact CG-CD1 3.95Å; M1329-L1367 HydrophobicContact CG-CD2 4.08Å
1330I92.7Very high78.4Confident61 Ų6179.1 Ų79.131%0.31343%0.428SS..THydrogen-bonded Turntrans-109.6-44.6173.4-63.4168.2000111.5C1328 F1350 C1354 V1355 P1366C1328-I1330 PolarHBondContact O-N 3.46Å; I1330-F1350 HydrophobicContact CD1-CB 4.04Å; I1330-F1350 HydrophobicContact CD1-CD1 3.54Å; I1330-F1350 HydrophobicContact CD1-CE1 4.14Å; I1330-F1350 HydrophobicContact CD1-CG 3.86Å; I1330-F1350 HydrophobicContact CG1-CD1 3.61Å; I1330-F1350 HydrophobicContact CG1-CE1 3.96Å; I1330-F1350 HydrophobicContact CG1-CG 4.43Å; I1330-C1354 HydrophobicContact CB-CB 3.97Å; I1330-C1354 HydrophobicContact CD1-CB 4.03Å; I1330-C1354 HydrophobicContact CG2-CB 3.87Å; I1330-V1355 HydrophobicContact CD1-CB 3.75Å; I1330-V1355 HydrophobicContact CD1-CG2 4.15Å; I1330-P1366 HydrophobicContact CD1-CG 4Å; I1330-P1366 HydrophobicContact CG1-CB 4.42Å; I1330-P1366 HydrophobicContact CG1-CG 4.15Å
1331C94.7Very high81.1Confident46 Ų4671.7 Ų71.731%0.31139%0.389SS..THydrogen-bonded Turntrans-102.1-14.4176.154.80000113.6C1328 D1333 H1351C1328-C1331 VanDerWaalsContact CB-SG 3.59Å; C1328-C1331 PolarHBondContact O-N 3.43Å; C1328-C1331 VanDerWaalsContact SG-SG 3.68Å; C1331-D1333 VanDerWaalsContact CB-OD2 3.27Å; C1331-D1333 WeakPolarHBondContact CB-OD2 3.41Å; C1331-D1333 PolarHBondContact O-N 3.16Å; C1331-D1333 PolarHBondContact SG-OD2 3.4Å; C1331-H1351 PolarHBondContact SG-ND1 3.27Å; C1331-H1351 VanDerWaalsContact SG-ND1 3.43Å
1332L93Very high83.8Confident122 Ų12264 Ų6464%0.63935%0.347SS*.  trans69.68.1-175.7-47.8178.7000115.1C1328C1328-L1332 VanDerWaalsContact O-CA 3.26Å; C1328-L1332 WeakPolarHBondContact O-CA 3.47Å; C1328-L1332 PolarHBondContact O-N 3.35Å
1333D93.1Very high86.2Confident98 Ų9863.2 Ų63.252%0.52434%0.339SS..PPolyproline II helixtrans-77.5147.8173.3-53.5-58.3000112.2C1328 C1331C1328-D1333 PolarHBondContact N-O 2.94Å; C1331-D1333 VanDerWaalsContact CB-OD2 3.27Å; C1331-D1333 WeakPolarHBondContact CB-OD2 3.41Å; C1331-D1333 PolarHBondContact O-N 3.16Å; C1331-D1333 PolarHBondContact SG-OD2 3.4Å
1334D92.3Very high88.4Confident93 Ų9361.1 Ų61.150%0.49732%0.324SS..BIsolated β-bridgetrans-66.1149.8171.2-56.6-15.9000111.5R1327R1327-D1334 WeakPolarHBondContact CD-OD1 3.44Å; R1327-D1334 VanDerWaalsContact CG-OD1 3.24Å; R1327-D1334 WeakPolarHBondContact CG-OD1 3.4Å
1335Y93.4Very high90.1Very high13 Ų1361.4 Ų61.45%0.05132%0.32CS..PPolyproline II helixtrans-76.5122.9172-59.6-43.6000110.7Y1293 C1325 D1326 R1327 C1328 I1341 E1349 F1350 H1351Y1293-Y1335 AromaticContact CD2-CD2 3.79Å; Y1293-Y1335 HydrophobicContact CD2-CD2 3.79Å; Y1293-Y1335 AromaticContact CD2-CG 3.99Å; Y1293-Y1335 HydrophobicContact CD2-CG 3.99Å; Y1293-Y1335 WeakPolarHBondContact CE1-O 3.47Å; Y1293-Y1335 AromaticContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CG 4.16Å; Y1293-Y1335 HydrophobicContact CG-CG 4.29Å; C1325-Y1335 VanDerWaalsContact O-CE2 3.3Å; C1325-Y1335 WeakPolarHBondContact O-CE2 3.36Å; D1326-Y1335 WeakPolarHBondContact O-CD2 3.46Å; D1326-Y1335 PolarHBondContact O-N 3.48Å; R1327-Y1335 PolarHBondContact O-OH 2.98Å; C1328-Y1335 HydrophobicContact CB-CD1 4.28Å; C1328-Y1335 HydrophobicContact CB-CE1 3.57Å; Y1335-I1341 HydrophobicContact CD1-CD1 3.33Å; Y1335-I1341 HydrophobicContact CD1-CG1 4.46Å; Y1335-I1341 HydrophobicContact CD2-CD1 4.43Å; Y1335-I1341 HydrophobicContact CE1-CD1 3.48Å; Y1335-I1341 VanDerWaalsContact CE1-CD1 3.48Å; Y1335-I1341 HydrophobicContact CG-CD1 3.87Å; Y1335-E1349 VanDerWaalsContact OH-C 3.23Å; Y1335-E1349 PolarHBondContact OH-O 2.74Å; Y1335-F1350 WeakPolarHBondContact OH-CA 3.29Å; Y1335-F1350 PolarHBondContact OH-N 3.49Å; Y1335-H1351 AromaticContact CD1-CD2 3.79Å; Y1335-H1351 AromaticContact CD1-NE2 3.55Å
1336A88.2Confident91.5Very high48 Ų4860.4 Ų60.440%0.39731%0.313SS..PPolyproline II helixtrans-95.6155.3170.900000111.5Y1293 Q1339Y1293-A1336 WeakPolarHBondContact CD1-O 3.35Å; A1336-Q1339 HydrophobicContact CB-CG 4.14Å; A1336-Q1339 VanDerWaalsContact O-CB 3.28Å; A1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; A1336-Q1339 VanDerWaalsContact O-CG 3.29Å; A1336-Q1339 WeakPolarHBondContact O-CG 3.4Å; A1336-Q1339 PolarHBondContact O-N 3.27Å
1337D87.5Confident91.8Very high90 Ų9063.7 Ų63.748%0.48133%0.33SS..THydrogen-bonded Turntrans-53.7142.7180-63.5-41.7000112.5S1295 Q1339S1295-D1337 VanDerWaalsContact CB-OD1 3.27Å; S1295-D1337 WeakPolarHBondContact CB-OD1 3.2Å; S1295-D1337 PolarHBondContact N-OD1 3.15Å; S1295-D1337 PolarHBondContact OG-OD1 3.14Å; S1295-D1337 PolarHBondContact OG-OD2 3.4Å; D1337-Q1339 PolarHBondContact O-N 3.36Å; D1337-Q1339 VanDerWaalsContact O-N 3.16Å
1338S86.4Confident91.9Very high91 Ų9161.5 Ų61.564%0.63632%0.324SS*.THydrogen-bonded Turntrans63.52.9-176.174.60000116.8Y1293Y1293-S1338 PolarHBondContact O-N 3.29Å
1339Q91.2Very high91.8Very high67 Ų6762.7 Ų62.731%0.31333%0.329SS..  trans-65.3141.9170.7-70.9-179.4-14.500111.4L1292 Y1293 A1336 D1337 I1341 H1351L1292-Q1339 CarbonylContact C-O 3.03Å; L1292-Q1339 WeakPolarHBondContact CA-O 3.39Å; Y1293-Q1339 PolarHBondContact N-O 2.99Å; A1336-Q1339 HydrophobicContact CB-CG 4.14Å; A1336-Q1339 VanDerWaalsContact O-CB 3.28Å; A1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; A1336-Q1339 VanDerWaalsContact O-CG 3.29Å; A1336-Q1339 WeakPolarHBondContact O-CG 3.4Å; A1336-Q1339 PolarHBondContact O-N 3.27Å; D1337-Q1339 PolarHBondContact O-N 3.36Å; D1337-Q1339 VanDerWaalsContact O-N 3.16Å; Q1339-I1341 PolarHBondContact O-N 3Å; Q1339-H1351 PolarHBondContact OE1-CD2 2.94Å; Q1339-H1351 PolarHBondContact OE1-NE2 2.93Å
1340Q93.7Very high91.9Very high119 Ų11958.4 Ų58.456%0.55631%0.308SS*.EExtended strand (participates in β ladder)trans-78.2115.5177.2-71.3-179.7-5.600111.1I1290 L1292 H1351 A1352I1290-Q1340 HydrophobicContact CG2-CB 3.95Å; I1290-Q1340 HydrophobicContact CG2-CG 4.24Å; L1292-Q1340 HydrophobicContact CD2-CG 3.88Å; Q1340-H1351 WeakPolarHBondContact O-CA 3.45Å; Q1340-A1352 HydrophobicContact CB-CB 4.15Å; Q1340-A1352 PolarHBondContact O-N 2.98Å
1341I94.3Very high92.1Very high0 Ų056.1 Ų56.10%030%0.296CS..EExtended strand (participates in β ladder)trans-106123.6176.6-52.5-50.4000108.2I1290 R1291 Y1293 Y1335 Q1339 E1349 F1350I1290-I1341 CarbonylContact C-O 3.59Å; I1290-I1341 WeakPolarHBondContact CA-O 3.4Å; R1291-I1341 HydrophobicContact CG-CB 4.15Å; R1291-I1341 PolarHBondContact N-O 3.17Å; R1291-I1341 PolarHBondContact O-N 3.36Å; R1291-I1341 VanDerWaalsContact O-O 3.12Å; Y1293-I1341 HydrophobicContact CD2-CG1 4.47Å; Y1335-I1341 HydrophobicContact CD1-CD1 3.33Å; Y1335-I1341 HydrophobicContact CD1-CG1 4.46Å; Y1335-I1341 HydrophobicContact CD2-CD1 4.43Å; Y1335-I1341 HydrophobicContact CE1-CD1 3.48Å; Y1335-I1341 VanDerWaalsContact CE1-CD1 3.48Å; Y1335-I1341 HydrophobicContact CG-CD1 3.87Å; Q1339-I1341 PolarHBondContact O-N 3Å; I1341-E1349 HydrophobicContact CG2-CB 3.8Å; I1341-E1349 HydrophobicContact CG2-CG 4.48Å; I1341-F1350 CarbonylContact C-O 3.37Å; I1341-F1350 VanDerWaalsContact CA-O 3.27Å; I1341-F1350 WeakPolarHBondContact CA-O 3.38Å; I1341-F1350 WeakPolarHBondContact CG2-O 3.5Å
1342R93.6Very high92.1Very high4 Ų454.1 Ų54.12%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-92.6127.3170.2-171.1-175.4-62.2-79.212.7108.7L1285 L1288 P1289 I1290 F1350 A1352 V1355 D1356L1285-R1342 VanDerWaalsContact O-CZ 3.29Å; L1285-R1342 PolarHBondContact O-NH1 3.32Å; L1288-R1342 HydrophobicContact CB-CG 4.04Å; L1288-R1342 PolarHBondContact O-NH1 3.29Å; P1289-R1342 WeakPolarHBondContact O-CA 3.29Å; I1290-R1342 HydrophobicContact CG1-CB 4.48Å; I1290-R1342 HydrophobicContact CG1-CG 4.4Å; I1290-R1342 VanDerWaalsContact CG1-NH1 3.34Å; R1342-F1350 PolarHBondContact N-O 2.97Å; R1342-F1350 PolarHBondContact O-N 2.83Å; R1342-A1352 HydrophobicContact CB-CB 4.12Å; R1342-V1355 HydrophobicContact CB-CG1 3.83Å; R1342-V1355 HydrophobicContact CG-CG1 4.36Å; R1342-D1356 IonicContact CZ-OD1 2.7Å; R1342-D1356 VanDerWaalsContact CZ-OD1 3.24Å; R1342-D1356 IonicContact CZ-OD2 2.71Å; R1342-D1356 IonicContact NE-OD1 2.85Å; R1342-D1356 PolarHBondContact NE-OD1 3.4Å; R1342-D1356 VanDerWaalsContact NH2-CG 3.28Å; R1342-D1356 IonicContact NH2-OD1 3.87Å; R1342-D1356 PolarHBondContact NH2-OD1 2.91Å; R1342-D1356 IonicContact NH2-OD2 2.65Å; R1342-D1356 PolarHBondContact NH2-OD2 2.95Å
1343Q92Very high92.2Very high59 Ų5951.9 Ų51.928%0.27628%0.277SS..EExtended strand (participates in β ladder)trans-94.9127.4174-176.1178.191.600108.9P1289 E1349P1289-Q1343 HydrophobicContact CG-CB 4.32Å; P1289-Q1343 WeakPolarHBondContact CG-O 3.46Å; P1289-Q1343 PolarHBondContact O-N 3.5Å; Q1343-E1349 HydrophobicContact CB-CG 4.24Å; Q1343-E1349 HydrophobicContact CG-CG 4.05Å; Q1343-E1349 PolarHBondContact NE2-OE1 3.48Å
1344M91.3Very high92.3Very high1 Ų148 Ų481%0.00526%0.258CS..PPolyproline II helixtrans-77.6157.6175.8-57.8-54.6-59.600110.4L1288 C1346 L1347 H1348 F1350 V1355 L1359 A1372L1288-M1344 HydrophobicContact CD1-CE 4.02Å; L1288-M1344 HydrophobicContact CD1-SD 4.38Å; M1344-C1346 WeakPolarHBondContact CB-SG 3.43Å; M1344-C1346 PolarHBondContact O-N 3.12Å; M1344-C1346 VanDerWaalsContact O-N 3.12Å; M1344-L1347 WeakPolarHBondContact O-CA 3.37Å; M1344-L1347 PolarHBondContact O-N 3.28Å; M1344-H1348 WeakPolarHBondContact CB-O 3.37Å; M1344-H1348 WeakPolarHBondContact CG-O 3.36Å; M1344-H1348 PolarHBondContact N-O 3.12Å; M1344-F1350 HydrophobicContact CG-CD2 4.06Å; M1344-F1350 HydrophobicContact CG-CE2 3.8Å; M1344-V1355 HydrophobicContact SD-CG2 3.88Å; M1344-L1359 HydrophobicContact CE-CD1 3.9Å; M1344-L1359 HydrophobicContact CE-CD2 3.9Å; M1344-L1359 HydrophobicContact CE-CG 4.49Å; M1344-L1359 HydrophobicContact SD-CD1 4.07Å; M1344-A1372 HydrophobicContact CE-CB 3.32Å
1345R89.5Confident92.4Very high122 Ų12243.6 Ų43.646%0.4623%0.234SC..THydrogen-bonded Turntrans-62-20.9173.5-64.4-165-170.2-1654.2113.8L1288 L1347 F1373L1288-R1345 HydrophobicContact CD2-CG 4.1Å; R1345-L1347 PolarHBondContact O-N 3.4Å; R1345-F1373 WeakPolarHBondContact CD-O 3.4Å; R1345-F1373 PolarHBondContact NE-O 3.49Å; R1345-F1373 PolarHBondContact NH1-O 3.42Å
1346C92.4Very high92.4Very high16 Ų1644.4 Ų44.411%0.10824%0.239CC..THydrogen-bonded Turntrans-83.918.9168.762.30000113.9M1344 H1348 C1365 C1368 A1370M1344-C1346 WeakPolarHBondContact CB-SG 3.43Å; M1344-C1346 PolarHBondContact O-N 3.12Å; M1344-C1346 VanDerWaalsContact O-N 3.12Å; C1346-H1348 PolarHBondContact O-N 2.94Å; C1346-H1348 PolarHBondContact O-ND1 3.2Å; C1346-C1365 VanDerWaalsContact SG-SG 3.62Å; C1346-C1368 PolarHBondContact SG-SG 2.79Å; C1346-A1370 HydrophobicContact CB-CB 3.88Å
1347L90.2Very high92.6Very high113 Ų11349.2 Ų49.259%0.59225%0.251SS*.SBendtrans59.15.9178.3-54.5-179.7000117.2M1344 R1345M1344-L1347 WeakPolarHBondContact O-CA 3.37Å; M1344-L1347 PolarHBondContact O-N 3.28Å; R1345-L1347 PolarHBondContact O-N 3.4Å
1348H92.6Very high92.9Very high37 Ų3749 Ų4917%0.17124%0.244CC..  trans-78.3145.5173-67.275.1000110.5M1344 C1346 F1350 L1367 C1368M1344-H1348 WeakPolarHBondContact CB-O 3.37Å; M1344-H1348 WeakPolarHBondContact CG-O 3.36Å; M1344-H1348 PolarHBondContact N-O 3.12Å; C1346-H1348 PolarHBondContact O-N 2.94Å; C1346-H1348 PolarHBondContact O-ND1 3.2Å; H1348-F1350 HydrophobicContact CB-CE2 3.93Å; H1348-F1350 HydrophobicContact CB-CZ 4.24Å; H1348-L1367 HydrophobicContact CB-CD1 4.35Å; H1348-C1368 VanDerWaalsContact CE1-SG 3.57Å
1349E93.6Very high93.2Very high26 Ų2644.7 Ų44.712%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-124.3145.6-170.2-59.4-167130.900111.5R1291 Y1335 I1341 Q1343R1291-E1349 IonicContact CZ-OE1 2.7Å; R1291-E1349 IonicContact CZ-OE2 2.77Å; R1291-E1349 IonicContact NE-OE1 3.16Å; R1291-E1349 PolarHBondContact NE-OE1 3.48Å; R1291-E1349 IonicContact NE-OE2 2.91Å; R1291-E1349 VanDerWaalsContact NH2-CD 3.33Å; R1291-E1349 IonicContact NH2-OE1 3.98Å; R1291-E1349 PolarHBondContact NH2-OE1 3.02Å; R1291-E1349 IonicContact NH2-OE2 3.3Å; R1291-E1349 PolarHBondContact NH2-OE2 3.13Å; Y1335-E1349 VanDerWaalsContact OH-C 3.23Å; Y1335-E1349 PolarHBondContact OH-O 2.74Å; I1341-E1349 HydrophobicContact CG2-CB 3.8Å; I1341-E1349 HydrophobicContact CG2-CG 4.48Å; Q1343-E1349 HydrophobicContact CB-CG 4.24Å; Q1343-E1349 HydrophobicContact CG-CG 4.05Å; Q1343-E1349 PolarHBondContact NE2-OE1 3.48Å
1350F95.3Very high93.1Very high0 Ų047.9 Ų47.90%023%0.226CC..EExtended strand (participates in β ladder)trans-154.5160.1-176.7-53-86.2000109.7M1329 I1330 Y1335 I1341 R1342 M1344 H1348 A1352 V1355 P1366 L1367M1329-F1350 HydrophobicContact CB-CE1 4.13Å; I1330-F1350 HydrophobicContact CD1-CB 4.04Å; I1330-F1350 HydrophobicContact CD1-CD1 3.54Å; I1330-F1350 HydrophobicContact CD1-CE1 4.14Å; I1330-F1350 HydrophobicContact CD1-CG 3.86Å; I1330-F1350 HydrophobicContact CG1-CD1 3.61Å; I1330-F1350 HydrophobicContact CG1-CE1 3.96Å; I1330-F1350 HydrophobicContact CG1-CG 4.43Å; Y1335-F1350 WeakPolarHBondContact OH-CA 3.29Å; Y1335-F1350 PolarHBondContact OH-N 3.49Å; I1341-F1350 CarbonylContact C-O 3.37Å; I1341-F1350 VanDerWaalsContact CA-O 3.27Å; I1341-F1350 WeakPolarHBondContact CA-O 3.38Å; I1341-F1350 WeakPolarHBondContact CG2-O 3.5Å; R1342-F1350 PolarHBondContact N-O 2.97Å; R1342-F1350 PolarHBondContact O-N 2.83Å; M1344-F1350 HydrophobicContact CG-CD2 4.06Å; M1344-F1350 HydrophobicContact CG-CE2 3.8Å; H1348-F1350 HydrophobicContact CB-CE2 3.93Å; H1348-F1350 HydrophobicContact CB-CZ 4.24Å; F1350-A1352 PolarHBondContact O-N 3.37Å; F1350-V1355 HydrophobicContact CB-CB 3.77Å; F1350-V1355 HydrophobicContact CB-CG1 4.1Å; F1350-V1355 HydrophobicContact CB-CG2 4.43Å; F1350-V1355 HydrophobicContact CD2-CB 4.13Å; F1350-V1355 HydrophobicContact CD2-CG2 3.84Å; F1350-V1355 HydrophobicContact CE2-CG2 4.38Å; F1350-V1355 HydrophobicContact CG-CB 4.08Å; F1350-V1355 HydrophobicContact CG-CG2 4.22Å; F1350-P1366 HydrophobicContact CE1-CB 4.08Å; F1350-P1366 HydrophobicContact CE1-CG 4.05Å; F1350-P1366 HydrophobicContact CE2-CG 4.42Å; F1350-P1366 HydrophobicContact CZ-CB 4.04Å; F1350-P1366 HydrophobicContact CZ-CG 3.89Å; F1350-L1367 HydrophobicContact CE1-CD1 3.75Å; F1350-L1367 HydrophobicContact CE1-CG 3.95Å; F1350-L1367 HydrophobicContact CZ-CB 4.31Å; F1350-L1367 HydrophobicContact CZ-CD1 3.64Å; F1350-L1367 HydrophobicContact CZ-CG 3.82Å
1351H95.7Very high92.9Very high14 Ų1446.3 Ų46.37%0.06523%0.225CC..EExtended strand (participates in β ladder)trans-56.4133.2162.8-58.5120.5000109.8C1328 C1331 Y1335 Q1339 Q1340 S1353 C1354 V1355C1328-H1351 WeakPolarHBondContact CB-CE1 3.47Å; C1328-H1351 WeakPolarHBondContact CB-ND1 3.4Å; C1328-H1351 PolarHBondContact SG-N 3.05Å; C1328-H1351 VanDerWaalsContact SG-N 3.37Å; C1328-H1351 PolarHBondContact SG-ND1 2.78Å; C1331-H1351 PolarHBondContact SG-ND1 3.27Å; C1331-H1351 VanDerWaalsContact SG-ND1 3.43Å; Y1335-H1351 AromaticContact CD1-CD2 3.79Å; Y1335-H1351 AromaticContact CD1-NE2 3.55Å; Q1339-H1351 PolarHBondContact OE1-CD2 2.94Å; Q1339-H1351 PolarHBondContact OE1-NE2 2.93Å; Q1340-H1351 WeakPolarHBondContact O-CA 3.45Å; H1351-S1353 VanDerWaalsContact C-N 3.28Å; H1351-S1353 PolarHBondContact O-N 3.33Å; H1351-C1354 HydrophobicContact CB-CB 4.07Å; H1351-C1354 PolarHBondContact O-N 2.64Å; H1351-V1355 PolarHBondContact O-N 3.41Å
1352A94.8Very high92.7Very high3 Ų350.6 Ų50.63%0.02524%0.244CC..Hα-helixtrans-54.1-47.3176.600000110.9Q1340 R1342 F1350 C1354 V1355 D1356Q1340-A1352 HydrophobicContact CB-CB 4.15Å; Q1340-A1352 PolarHBondContact O-N 2.98Å; R1342-A1352 HydrophobicContact CB-CB 4.12Å; F1350-A1352 PolarHBondContact O-N 3.37Å; A1352-C1354 PolarHBondContact O-N 3Å; A1352-V1355 PolarHBondContact O-N 3.28Å; A1352-D1356 WeakPolarHBondContact O-CB 3.4Å; A1352-D1356 PolarHBondContact O-N 3.41Å
1353S94.4Very high92.5Very high75 Ų7554.6 Ų54.652%0.52426%0.259SS..Hα-helixtrans-60-18.3177.560.50000115.4H1351 K1357H1351-S1353 VanDerWaalsContact C-N 3.28Å; H1351-S1353 PolarHBondContact O-N 3.33Å; S1353-K1357 VanDerWaalsContact O-CD 3.25Å; S1353-K1357 WeakPolarHBondContact O-CD 3.38Å; S1353-K1357 WeakPolarHBondContact O-CE 3.33Å; S1353-K1357 WeakPolarHBondContact O-CG 3.47Å
1354C95.5Very high92.5Very high18 Ų1853.2 Ų53.212%0.12225%0.254CS..Hα-helixtrans-95.7-48.3177-700000111.6I1330 H1351 A1352 K1357 W1358I1330-C1354 HydrophobicContact CB-CB 3.97Å; I1330-C1354 HydrophobicContact CD1-CB 4.03Å; I1330-C1354 HydrophobicContact CG2-CB 3.87Å; H1351-C1354 HydrophobicContact CB-CB 4.07Å; H1351-C1354 PolarHBondContact O-N 2.64Å; A1352-C1354 PolarHBondContact O-N 3Å; C1354-K1357 PolarHBondContact O-N 3.45Å; C1354-W1358 PolarHBondContact O-N 3.24Å
1355V94.1Very high92.7Very high0 Ų053.1 Ų53.10%025%0.254CS..Hα-helixtrans-73.6-28.7-179.473.80000112.5I1330 R1342 M1344 F1350 H1351 A1352 K1357 W1358 L1359I1330-V1355 HydrophobicContact CD1-CB 3.75Å; I1330-V1355 HydrophobicContact CD1-CG2 4.15Å; R1342-V1355 HydrophobicContact CB-CG1 3.83Å; R1342-V1355 HydrophobicContact CG-CG1 4.36Å; M1344-V1355 HydrophobicContact SD-CG2 3.88Å; F1350-V1355 HydrophobicContact CB-CB 3.77Å; F1350-V1355 HydrophobicContact CB-CG1 4.1Å; F1350-V1355 HydrophobicContact CB-CG2 4.43Å; F1350-V1355 HydrophobicContact CD2-CB 4.13Å; F1350-V1355 HydrophobicContact CD2-CG2 3.84Å; F1350-V1355 HydrophobicContact CE2-CG2 4.38Å; F1350-V1355 HydrophobicContact CG-CB 4.08Å; F1350-V1355 HydrophobicContact CG-CG2 4.22Å; H1351-V1355 PolarHBondContact O-N 3.41Å; A1352-V1355 PolarHBondContact O-N 3.28Å; V1355-K1357 VanDerWaalsContact C-N 3.27Å; V1355-K1357 PolarHBondContact O-N 3.41Å; V1355-W1358 WeakPolarHBondContact O-CB 3.42Å; V1355-W1358 PolarHBondContact O-N 3.38Å; V1355-W1358 VanDerWaalsContact O-N 3.1Å; V1355-L1359 HydrophobicContact CG2-CD1 3.87Å; V1355-L1359 HydrophobicContact CG2-CG 4Å; V1355-L1359 WeakPolarHBondContact O-CB 3.36Å; V1355-L1359 WeakPolarHBondContact O-CG 3.49Å; V1355-L1359 PolarHBondContact O-N 3.2Å
1356D93.8Very high92.8Very high30 Ų3048.9 Ų48.916%0.1624%0.242CC..Hα-helixtrans-63.6-32.6174.7-72.215.9000112.5L1285 R1342 A1352 K1360L1285-D1356 HydrophobicContact CD1-CB 4.49Å; L1285-D1356 HydrophobicContact CD2-CB 3.94Å; R1342-D1356 IonicContact CZ-OD1 2.7Å; R1342-D1356 VanDerWaalsContact CZ-OD1 3.24Å; R1342-D1356 IonicContact CZ-OD2 2.71Å; R1342-D1356 IonicContact NE-OD1 2.85Å; R1342-D1356 PolarHBondContact NE-OD1 3.4Å; R1342-D1356 VanDerWaalsContact NH2-CG 3.28Å; R1342-D1356 IonicContact NH2-OD1 3.87Å; R1342-D1356 PolarHBondContact NH2-OD1 2.91Å; R1342-D1356 IonicContact NH2-OD2 2.65Å; R1342-D1356 PolarHBondContact NH2-OD2 2.95Å; A1352-D1356 WeakPolarHBondContact O-CB 3.4Å; A1352-D1356 PolarHBondContact O-N 3.41Å; D1356-K1360 VanDerWaalsContact O-CD 3.3Å; D1356-K1360 WeakPolarHBondContact O-CD 3.47Å; D1356-K1360 WeakPolarHBondContact O-CG 3.33Å; D1356-K1360 PolarHBondContact O-N 3.35Å
1357K93.7Very high92.8Very high148 Ų14851.8 Ų51.864%0.64326%0.256SS*.Hα-helixtrans-68.8-40.2173.7-66.6169.6-175.7164.40110.9S1353 C1354 V1355S1353-K1357 VanDerWaalsContact O-CD 3.25Å; S1353-K1357 WeakPolarHBondContact O-CD 3.38Å; S1353-K1357 WeakPolarHBondContact O-CE 3.33Å; S1353-K1357 WeakPolarHBondContact O-CG 3.47Å; C1354-K1357 PolarHBondContact O-N 3.45Å; V1355-K1357 VanDerWaalsContact C-N 3.27Å; V1355-K1357 PolarHBondContact O-N 3.41Å
1358W92.9Very high92.9Very high86 Ų8648.2 Ų48.233%0.32624%0.241SC..Hα-helixtrans-69.3-46.7177.7176.9-84000112.1C1354 V1355 K1360 T1361 K1362 T1364 P1366C1354-W1358 PolarHBondContact O-N 3.24Å; V1355-W1358 WeakPolarHBondContact O-CB 3.42Å; V1355-W1358 PolarHBondContact O-N 3.38Å; V1355-W1358 VanDerWaalsContact O-N 3.1Å; W1358-K1360 VanDerWaalsContact C-N 3.27Å; W1358-K1360 PolarHBondContact O-N 3.49Å; W1358-T1361 CarbonylContact O-C 2.97Å; W1358-T1361 WeakPolarHBondContact O-CA 3.47Å; W1358-T1361 PolarHBondContact O-N 3.49Å; W1358-K1362 HydrophobicContact CH2-CD 4.15Å; W1358-K1362 HydrophobicContact CZ2-CD 3.77Å; W1358-K1362 PolarHBondContact O-N 3.4Å; W1358-T1364 PolarHBondContact NE1-O 3.46Å; W1358-P1366 HydrophobicContact CD2-CG 3.97Å; W1358-P1366 HydrophobicContact CG-CG 3.88Å; W1358-P1366 HydrophobicContact CZ2-CB 4.45Å
1359L92.8Very high92.8Very high0 Ų054.9 Ų54.90%026%0.264CS..Hα-helixtrans-66.3-27.3-176.6-69.6171.9000113G1279 L1280 L1285 L1288 M1344 V1355 T1361 K1362 A1372G1279-L1359 CarbonylContact C-O 3.55Å; G1279-L1359 WeakPolarHBondContact CA-O 3.3Å; L1280-L1359 HydrophobicContact CD1-CD2 4.21Å; L1280-L1359 PolarHBondContact N-O 3.29Å; L1285-L1359 HydrophobicContact CD1-CB 3.86Å; L1285-L1359 HydrophobicContact CD1-CD1 3.46Å; L1285-L1359 VanDerWaalsContact CD1-CD1 3.46Å; L1285-L1359 HydrophobicContact CD1-CG 4.32Å; L1288-L1359 HydrophobicContact CD1-CD1 3.79Å; M1344-L1359 HydrophobicContact CE-CD1 3.9Å; M1344-L1359 HydrophobicContact CE-CD2 3.9Å; M1344-L1359 HydrophobicContact CE-CG 4.49Å; M1344-L1359 HydrophobicContact SD-CD1 4.07Å; V1355-L1359 HydrophobicContact CG2-CD1 3.87Å; V1355-L1359 HydrophobicContact CG2-CG 4Å; V1355-L1359 WeakPolarHBondContact O-CB 3.36Å; V1355-L1359 WeakPolarHBondContact O-CG 3.49Å; V1355-L1359 PolarHBondContact O-N 3.2Å; L1359-T1361 PolarHBondContact O-N 3.16Å; L1359-K1362 WeakPolarHBondContact CA-O 3.32Å; L1359-A1372 HydrophobicContact CD2-CB 3.58Å
1360K90.1Very high92.5Very high134 Ų13453.7 Ų53.758%0.58326%0.259SS*.THydrogen-bonded Turntrans-66.8-11.5169-74.2169-173.2177.30114.1L1285 D1356 W1358L1285-K1360 HydrophobicContact CD2-CG 4.29Å; D1356-K1360 VanDerWaalsContact O-CD 3.3Å; D1356-K1360 WeakPolarHBondContact O-CD 3.47Å; D1356-K1360 WeakPolarHBondContact O-CG 3.33Å; D1356-K1360 PolarHBondContact O-N 3.35Å; W1358-K1360 VanDerWaalsContact C-N 3.27Å; W1358-K1360 PolarHBondContact O-N 3.49Å
1361T88.2Confident92.1Very high87 Ų8754.6 Ų54.653%0.53426%0.263SS..THydrogen-bonded Turntrans-116.9-29.8177.3-50.60000113.2G1277 W1358 L1359G1277-T1361 CarbonylContact C-O 3.51Å; W1358-T1361 CarbonylContact O-C 2.97Å; W1358-T1361 WeakPolarHBondContact O-CA 3.47Å; W1358-T1361 PolarHBondContact O-N 3.49Å; L1359-T1361 PolarHBondContact O-N 3.16Å
1362K89.7Confident91.6Very high90 Ų9053.9 Ų53.939%0.39126%0.26SS..  trans-145.2126.1-177.4-67.3178.9-178.5172.50111.2W1358 L1359 T1364W1358-K1362 HydrophobicContact CH2-CD 4.15Å; W1358-K1362 HydrophobicContact CZ2-CD 3.77Å; W1358-K1362 PolarHBondContact O-N 3.4Å; L1359-K1362 WeakPolarHBondContact CA-O 3.32Å; K1362-T1364 PolarHBondContact O-N 2.97Å
1363R90.6Very high90.7Very high87 Ų8757.5 Ų57.533%0.32828%0.276SS..SBendtrans-70.611.4178.371.2173.3176.8141.2-18.7116.6E1273 N1276 L1280 D1371 A1372E1273-R1363 PolarHBondContact O-NH2 3.43Å; N1276-R1363 VanDerWaalsContact OD1-CZ 3.23Å; N1276-R1363 PolarHBondContact OD1-NE 2.98Å; N1276-R1363 PolarHBondContact OD1-NH2 3.46Å; L1280-R1363 VanDerWaalsContact CD1-CA 3.48Å; L1280-R1363 HydrophobicContact CD1-CB 3.53Å; R1363-D1371 WeakPolarHBondContact CD-OD2 3.44Å; R1363-D1371 IonicContact CZ-OD2 3.64Å; R1363-D1371 IonicContact NE-OD2 3.24Å; R1363-D1371 IonicContact NH1-OD2 3.81Å; R1363-D1371 PolarHBondContact NH1-OD2 2.92Å; R1363-A1372 VanDerWaalsContact O-CB 3.31Å; R1363-A1372 WeakPolarHBondContact O-CB 2.98Å; R1363-A1372 PolarHBondContact O-N 3.44Å
1364T92.4Very high89.9Confident30 Ų3057.9 Ų57.918%0.18428%0.275CS..BIsolated β-bridgetrans-116.3146.3-172.554.30000112.7W1358 K1362 R1369 A1370W1358-T1364 PolarHBondContact NE1-O 3.46Å; K1362-T1364 PolarHBondContact O-N 2.97Å; T1364-R1369 WeakPolarHBondContact CB-O 3.3Å; T1364-R1369 WeakPolarHBondContact CG2-O 3.47Å; T1364-A1370 CarbonylContact C-O 3.59Å; T1364-A1370 VanDerWaalsContact CA-O 3.32Å; T1364-A1370 WeakPolarHBondContact CA-O 3.48Å
1365C93.9Very high88.7Confident0 Ų058 Ų580%028%0.279CS..  trans-60.4131.6176.2177.50000111.4C1346 L1367 R1369 A1370C1346-C1365 VanDerWaalsContact SG-SG 3.62Å; C1365-L1367 PolarHBondContact O-N 3.1Å; C1365-R1369 VanDerWaalsContact O-CA 3.23Å; C1365-R1369 WeakPolarHBondContact O-CA 3.39Å; C1365-R1369 PolarHBondContact O-N 2.88Å; C1365-A1370 PolarHBondContact N-O 2.88Å
1366P92.9Very high87.1Confident33 Ų3361.5 Ų61.521%0.21430%0.304CS..THydrogen-bonded Turntrans-54.6-36177.4-26.231.7000114.6I1330 F1350 W1358I1330-P1366 HydrophobicContact CD1-CG 4Å; I1330-P1366 HydrophobicContact CG1-CB 4.42Å; I1330-P1366 HydrophobicContact CG1-CG 4.15Å; F1350-P1366 HydrophobicContact CE1-CB 4.08Å; F1350-P1366 HydrophobicContact CE1-CG 4.05Å; F1350-P1366 HydrophobicContact CE2-CG 4.42Å; F1350-P1366 HydrophobicContact CZ-CB 4.04Å; F1350-P1366 HydrophobicContact CZ-CG 3.89Å; W1358-P1366 HydrophobicContact CD2-CG 3.97Å; W1358-P1366 HydrophobicContact CG-CG 3.88Å; W1358-P1366 HydrophobicContact CZ2-CB 4.45Å
1367L91.3Very high85.2Confident76 Ų7664.2 Ų64.240%0.39832%0.315SS..THydrogen-bonded Turntrans-85.9-58.4-174.5-74.2169.3000112.8M1329 H1348 F1350 C1365M1329-L1367 HydrophobicContact CB-CD1 3.92Å; M1329-L1367 HydrophobicContact CB-CD2 3.83Å; M1329-L1367 HydrophobicContact CB-CG 4.13Å; M1329-L1367 HydrophobicContact CE-CD2 4.13Å; M1329-L1367 HydrophobicContact CG-CD1 3.95Å; M1329-L1367 HydrophobicContact CG-CD2 4.08Å; H1348-L1367 HydrophobicContact CB-CD1 4.35Å; F1350-L1367 HydrophobicContact CE1-CD1 3.75Å; F1350-L1367 HydrophobicContact CE1-CG 3.95Å; F1350-L1367 HydrophobicContact CZ-CB 4.31Å; F1350-L1367 HydrophobicContact CZ-CD1 3.64Å; F1350-L1367 HydrophobicContact CZ-CG 3.82Å; C1365-L1367 PolarHBondContact O-N 3.1Å
1368C92.9Very high83.2Confident39 Ų3962.9 Ų62.926%0.26431%0.311SS..THydrogen-bonded Turntrans-102.4-1.4-172.966.90000115.1C1346 H1348 A1370C1346-C1368 PolarHBondContact SG-SG 2.79Å; H1348-C1368 VanDerWaalsContact CE1-SG 3.57Å; C1368-A1370 PolarHBondContact O-N 3.08Å
1369R89.5Confident81.1Confident177 Ų17765.8 Ų65.867%0.66833%0.326SS*.  trans57.73.5-178.1-54.1-177.7-176.3-179.92.2116.6T1364 C1365T1364-R1369 WeakPolarHBondContact CB-O 3.3Å; T1364-R1369 WeakPolarHBondContact CG2-O 3.47Å; C1365-R1369 VanDerWaalsContact O-CA 3.23Å; C1365-R1369 WeakPolarHBondContact O-CA 3.39Å; C1365-R1369 PolarHBondContact O-N 2.88Å
1370A88.3Confident78.9Confident0 Ų072.5 Ų72.50%036%0.362CS..  trans-52.7147.6166.100000110.9C1346 T1364 C1365 C1368 S1376 Q1377C1346-A1370 HydrophobicContact CB-CB 3.88Å; T1364-A1370 CarbonylContact C-O 3.59Å; T1364-A1370 VanDerWaalsContact CA-O 3.32Å; T1364-A1370 WeakPolarHBondContact CA-O 3.48Å; C1365-A1370 PolarHBondContact N-O 2.88Å; C1368-A1370 PolarHBondContact O-N 3.08Å; A1370-S1376 WeakPolarHBondContact CA-O 3.27Å; A1370-S1376 WeakPolarHBondContact CB-O 3.32Å; A1370-Q1377 HydrophobicContact CB-CG 4.04Å
1371D87.5Confident76.8Confident19 Ų1972 Ų7210%0.10237%0.365CS..BIsolated β-bridgetrans-66.8135.9174.4172-63.4000110.1R1363 F1373 T1374 G1375 S1376R1363-D1371 WeakPolarHBondContact CD-OD2 3.44Å; R1363-D1371 IonicContact CZ-OD2 3.64Å; R1363-D1371 IonicContact NE-OD2 3.24Å; R1363-D1371 IonicContact NH1-OD2 3.81Å; R1363-D1371 PolarHBondContact NH1-OD2 2.92Å; D1371-F1373 VanDerWaalsContact C-N 3.32Å; D1371-F1373 PolarHBondContact O-N 3.22Å; D1371-F1373 PolarHBondContact OD1-N 3.04Å; D1371-T1374 WeakPolarHBondContact CB-OG1 3.42Å; D1371-T1374 PolarHBondContact OD1-N 2.86Å; D1371-T1374 PolarHBondContact OD1-OG1 3.39Å; D1371-G1375 WeakPolarHBondContact O-CA 3.28Å; D1371-G1375 PolarHBondContact O-N 2.93Å; D1371-S1376 PolarHBondContact N-O 3.23Å
1372A83.5Confident74.6Confident0 Ų077.2 Ų77.20%038%0.377CS..THydrogen-bonded Turntrans-63.7-34.8-172.700000113.7L1280 L1288 M1344 L1359 R1363L1280-A1372 HydrophobicContact CD1-CB 4.11Å; L1280-A1372 HydrophobicContact CD2-CB 4.2Å; L1288-A1372 WeakPolarHBondContact CD2-O 3.36Å; M1344-A1372 HydrophobicContact CE-CB 3.32Å; L1359-A1372 HydrophobicContact CD2-CB 3.58Å; R1363-A1372 VanDerWaalsContact O-CB 3.31Å; R1363-A1372 WeakPolarHBondContact O-CB 2.98Å; R1363-A1372 PolarHBondContact O-N 3.44Å
1373F77.4Confident72Confident79 Ų7983.5 Ų83.535%0.34641%0.405SS..THydrogen-bonded Turntrans-102.3-27.4-169.7-169.8-90.4000112.8E1284 S1287 R1345 D1371E1284-F1373 HydrophobicContact CB-CD2 4.31Å; E1284-F1373 HydrophobicContact CG-CD2 4.48Å; E1284-F1373 HydrophobicContact CG-CE2 4.46Å; S1287-F1373 WeakPolarHBondContact OG-CE2 3.25Å; R1345-F1373 WeakPolarHBondContact CD-O 3.4Å; R1345-F1373 PolarHBondContact NE-O 3.49Å; R1345-F1373 PolarHBondContact NH1-O 3.42Å; D1371-F1373 VanDerWaalsContact C-N 3.32Å; D1371-F1373 PolarHBondContact O-N 3.22Å; D1371-F1373 PolarHBondContact OD1-N 3.04Å
1374T77.5Confident71Confident83 Ų8383.3 Ų83.351%0.50941%0.408SS..THydrogen-bonded Turntrans-86.7-30.4170.162.20000112.2D1371 S1376D1371-T1374 WeakPolarHBondContact CB-OG1 3.42Å; D1371-T1374 PolarHBondContact OD1-N 2.86Å; D1371-T1374 PolarHBondContact OD1-OG1 3.39Å; T1374-S1376 PolarHBondContact O-N 3.1Å; T1374-S1376 PolarHBondContact OG1-N 2.78Å; T1374-S1376 PolarHBondContact OG1-OG 2.83Å
1375G68.9Low69.9Low21 Ų2186.1 Ų86.122%0.21642%0.42CS..  trans72-2.4-170.700000114.2D1371 Q1377D1371-G1375 WeakPolarHBondContact O-CA 3.28Å; D1371-G1375 PolarHBondContact O-N 2.93Å; G1375-Q1377 PolarHBondContact O-N 3.33Å
1376S62.5Low68.6Low73 Ų7390.9 Ų90.951%0.5144%0.443SS..  trans-69.1124.817759.60000109.9A1370 D1371 T1374 H1378A1370-S1376 WeakPolarHBondContact CA-O 3.27Å; A1370-S1376 WeakPolarHBondContact CB-O 3.32Å; D1371-S1376 PolarHBondContact N-O 3.23Å; T1374-S1376 PolarHBondContact O-N 3.1Å; T1374-S1376 PolarHBondContact OG1-N 2.78Å; T1374-S1376 PolarHBondContact OG1-OG 2.83Å; S1376-H1378 PolarHBondContact O-N 3.01Å
1377Q53.3Low67.1Low86 Ų8694.3 Ų94.340%0.40246%0.457SS..  trans-65.6131.8163.6-72.7179-10.500107.5A1370 G1375 K1379A1370-Q1377 HydrophobicContact CB-CG 4.04Å; G1375-Q1377 PolarHBondContact O-N 3.33Å; Q1377-K1379 HydrophobicContact CB-CB 4.17Å; Q1377-K1379 HydrophobicContact CB-CD 4.21Å; Q1377-K1379 HydrophobicContact CB-CG 4.45Å; Q1377-K1379 PolarHBondContact O-N 3.38Å
1378H50.8Low65.6Low120 Ų12095.4 Ų95.456%0.55646%0.461SS*.  trans-75.264.6175.6-155.7-76.3000109.1S1376 D1381S1376-H1378 PolarHBondContact O-N 3.01Å; H1378-D1381 IonicContact CE1-OD2 3.52Å; H1378-D1381 PolarHBondContact CE1-OD2 3.28Å; H1378-D1381 IonicContact ND1-OD2 2.73Å; H1378-D1381 IonicContact NE2-OD2 3.98Å
1379K48.5Very low63.8Low147 Ų14799.2 Ų99.264%0.63947%0.474SS*.  trans-89.4-12.2-155.6-147.8165.3-172.2158.80113.9Q1377Q1377-K1379 HydrophobicContact CB-CB 4.17Å; Q1377-K1379 HydrophobicContact CB-CD 4.21Å; Q1377-K1379 HydrophobicContact CB-CG 4.45Å; Q1377-K1379 PolarHBondContact O-N 3.38Å
1380D46.5Very low62Low142 Ų14293.6 Ų93.676%0.75946%0.46SS*.SBendtrans-113.3-15.3-164.1-52.7-53.5000113.7Y1382D1380-Y1382 PolarHBondContact O-N 3.34Å
1381D47.9Very low60Low122 Ų122100.8 Ų100.865%0.65250%0.495SS*.SBendtrans-98.430.1-177.8-685.3000113.6H1378H1378-D1381 IonicContact CE1-OD2 3.52Å; H1378-D1381 PolarHBondContact CE1-OD2 3.28Å; H1378-D1381 IonicContact ND1-OD2 2.73Å; H1378-D1381 IonicContact NE2-OD2 3.98Å
1382Y42Very low57.7Low197 Ų197107.7 Ų107.777%0.77353%0.528SS*.  trans-123.361.1173.7-111.7-98.9000110.7D1380D1380-Y1382 PolarHBondContact O-N 3.34Å
1383F33.4Very low55.3Low222 Ų222117.5 Ų117.597%0.97458%0.576SS**  trans-148.40172.6-120.8-74.8000113.3

Retrieved 1,383 of 1,383 residues in 677 ms (Link to these results)