A0A3Q0KE04_SCHMA Loading...

Nuclear receptor domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KE04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 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
1M29.2Very low26.5Very low224 Ų224141.7 Ų141.7100%1.10382%0.817SS**  0105.80-169.9-170.5-69.700106.1
2T31.9Very low26.6Very low148 Ų148139.9 Ų139.991%0.90882%0.819SS**  trans-161.1133167.912.90000107.9
3F27.3Very low26.8Very low157 Ų157138 Ų13869%0.68980%0.802SS**  trans-129.6149.9-161.3-101.8-74.5000107.4
4F27.4Very low27Very low171 Ų171132.5 Ų132.575%0.7578%0.781SS**  trans60.7106.9157.3-56.8-58.6000117.5
5S24Very low26.9Very low105 Ų105128 Ų12873%0.73476%0.759SS**  90.7119.877.8-72.20000112.6
6T25.3Very low26.9Very low126 Ų126122.4 Ų122.477%0.77374%0.737SS**  trans-23.2134.1155.949.60000115.7
7T26.3Very low27.1Very low129 Ų129120.4 Ų120.479%0.79172%0.72SS**  -174.2124.8116.128.30000111.6
8S25.4Very low27.1Very low104 Ų104115.1 Ų115.173%0.72769%0.69SS**  trans12128.9140.1560000119.8
9S25.6Very low27.2Very low125 Ų125115.6 Ų115.687%0.87469%0.689SS**  -168.3138.9125.9-76.40000110.5
10N25.4Very low27.5Very low155 Ų155115.5 Ų115.583%0.82969%0.689SS**  trans-72162.1-175.7-77.7-17.4000114.7
11S23.6Very low27.6Very low115 Ų115115.9 Ų115.980%0.80469%0.688SS**  trans74.6116.7143.162.20000121.5
12S27.8Very low27.3Very low120 Ų120114.3 Ų114.384%0.83968%0.675SS**  -170.2114.9124.148.50000112
13L29.6Very low27.1Very low115 Ų115115.2 Ų115.260%0.60267%0.673SS**  trans-68.9141.8151.3-68.5163.8000107V278L13-V278 HydrophobicContact CD2-CB 3.95Å; L13-V278 HydrophobicContact CD2-CG1 3.67Å; L13-V278 HydrophobicContact CD2-CG2 3.17Å; L13-V278 HydrophobicContact CG-CG2 4.41Å
14A29.3Very low26.9Very low61 Ų61114 Ų11450%0.50467%0.673SS.*  cis-161.6163.726.500000112.2V278A14-V278 HydrophobicContact CB-CG1 4.35Å
15S26.1Very low26.9Very low65 Ų65114 Ų11446%0.45568%0.681SS.*  trans72.1144.4146.2-51.10000121S279S15-S279 WeakPolarHBondContact CB-O 3.34Å; S15-S279 VanDerWaalsContact OG-CB 3.24Å; S15-S279 WeakPolarHBondContact OG-CB 3.06Å; S15-S279 PolarHBondContact OG-O 2.82Å; S15-S279 PolarHBondContact OG-OG 2.79Å
16G26.6Very low26.8Very low39 Ų39115.9 Ų115.940%0.40268%0.677SS.*  trans167.3100.7151.300000116.1D281 Q282G16-D281 CarbonylContact C-O 3.59Å; G16-D281 WeakPolarHBondContact CA-O 3.48Å; G16-D281 PolarHBondContact N-O 3.43Å; G16-D281 VanDerWaalsContact N-O 3.16Å; G16-Q282 WeakPolarHBondContact O-CG 3.43Å; G16-Q282 PolarHBondContact O-NE2 3.08Å; G16-Q282 PolarHBondContact O-OE1 3.33Å
17L30.5Very low26.7Very low88 Ų88117.5 Ų117.546%0.46168%0.676SS.*  trans-53151.3-179.1-62.7136.5000120.9D281 Q282 P283L17-D281 WeakPolarHBondContact CA-O 3.41Å; L17-D281 HydrophobicContact CD1-CB 3.33Å; L17-D281 WeakPolarHBondContact CD1-OD1 3.19Å; L17-D281 HydrophobicContact CD2-CB 3.73Å; L17-D281 WeakPolarHBondContact CD2-OD1 3.3Å; L17-D281 HydrophobicContact CG-CB 3.26Å; L17-D281 WeakPolarHBondContact CG-O 3.34Å; L17-D281 PolarHBondContact N-O 3.14Å; L17-Q282 VanDerWaalsContact CD2-N 3.35Å; L17-P283 VanDerWaalsContact CB-CD 3.48Å; L17-P283 HydrophobicContact CB-CG 4.22Å; L17-P283 HydrophobicContact CD2-CG 3.58Å; L17-P283 HydrophobicContact CG-CG 4.43Å
18S27.5Very low26.6Very low25 Ų25116.7 Ų116.718%0.17567%0.671CS.*  trans-124.979.4161.537.80000114.7Q282 P283S18-Q282 WeakPolarHBondContact OG-CG 3.12Å; S18-Q282 PolarHBondContact OG-NE2 2.67Å; S18-Q282 VanDerWaalsContact OG-NE2 3.14Å; S18-P283 CarbonylContact O-C 3.57Å; S18-P283 WeakPolarHBondContact O-CA 3.18Å; S18-P283 WeakPolarHBondContact O-CB 3.49Å; S18-P283 WeakPolarHBondContact O-CD 3.45Å; S18-P283 VanDerWaalsContact O-CG 3.3Å; S18-P283 WeakPolarHBondContact O-CG 3.15Å; S18-P283 PolarHBondContact OG-O 3.15Å
19D28Very low26.6Very low124 Ų124116.2 Ų116.266%0.66367%0.674SS**  trans68.794.1137.6-45.1-45000122.1P283D19-P283 VanDerWaalsContact N-CG 3.35Å
20T33.1Very low26.6Very low114 Ų114114.2 Ų114.270%0.69967%0.665SS**  trans-120.2100140.249.70000110.6
21N29.3Very low26.5Very low123 Ų123113.7 Ų113.766%0.65867%0.667SS**  trans39.999.1153.1-67.7-30.6000120.3
22F24.1Very low26.6Very low192 Ų192111.8 Ų111.884%0.84267%0.666SS**  trans-16.5120.7143.8-71.6-98.9000116.7
23I27.4Very low26.4Very low166 Ų166111.4 Ų111.485%0.85166%0.663SS**  -135.4124.3123.4-51.4178.4000106.8L25I23-L25 PolarHBondContact O-N 2.72Å; I23-L25 VanDerWaalsContact O-N 3.17Å
24N23Very low26.3Very low131 Ų131111.2 Ų111.270%0.70167%0.671SS**  trans-62.2104.7178.5-150.4-10.1000109.3
25L26.3Very low26.3Very low173 Ų173114.2 Ų114.291%0.90669%0.689SS**  trans-124.385159.7-155.774.2000107.8I23I23-L25 PolarHBondContact O-N 2.72Å; I23-L25 VanDerWaalsContact O-N 3.17Å
26E22.8Very low26.6Very low143 Ų143115.7 Ų115.767%0.66870%0.699SS**  trans-51.9142.9158.4-79.7-177.1133.300110.5
27Q24.2Very low26.7Very low160 Ų160118.5 Ų118.575%0.74871%0.708SS**  trans83.8114.2142.7-79.2-18036.300119.9
28T24.1Very low26.6Very low113 Ų113118.5 Ų118.569%0.69371%0.712SS**  102.9101.7125.4-550000116.1
29A24.7Very low26.6Very low94 Ų94121.9 Ų121.978%0.77773%0.728SS**SBendtrans-49.8136.315500000110.2
30A26.2Very low26.7Very low83 Ų83127.8 Ų127.869%0.68674%0.741SS**  trans78.893.5178.200000115.3
31T22.6Very low27Very low144 Ų144130.3 Ų130.388%0.88374%0.743SS**  -170.3134.4113.320.50000108.4
32G25.8Very low26.8Very low74 Ų74127.4 Ų127.476%0.76374%0.742SS**  trans-61.4143.6-174.100000112.8
33S22.9Very low27Very low112 Ų112125.5 Ų125.578%0.78373%0.734SS**  trans-172.1122.8142-82.40000107.8
34S27.4Very low26.9Very low111 Ų111122.2 Ų122.278%0.77673%0.726SS**SBendtrans53.4120.5142.3-46.10000118.6
35S30.9Very low27.2Very low125 Ų125119.7 Ų119.787%0.87471%0.712SS**  trans85.4133.1159.179.70000117.6
36S32.2Very low27.3Very low96 Ų96115.1 Ų115.167%0.67171%0.707SS**  trans85.969.7177.1-164.10000117.6T38S36-T38 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 3.26Å; S36-T38 PolarHBondContact OG-OG1 3.18Å
37T28.5Very low27.6Very low97 Ų97115.4 Ų115.460%0.59571%0.712SS**  trans-82.878.1155.552.90000109.9D45T37-D45 WeakPolarHBondContact CB-OD2 3.46Å; T37-D45 WeakPolarHBondContact O-CB 3.03Å; T37-D45 PolarHBondContact O-N 2.97Å; T37-D45 WeakPolarHBondContact OG1-CB 3.33Å; T37-D45 PolarHBondContact OG1-OD2 2.66Å
38T27.4Very low27.6Very low88 Ų88114.5 Ų114.554%0.5471%0.711SS.*BIsolated β-bridgetrans-88.1108.9161.631.80000107.4S36S36-T38 VanDerWaalsContact C-N 3.31Å; S36-T38 PolarHBondContact O-N 3.26Å; S36-T38 PolarHBondContact OG-OG1 3.18Å
39N28.3Very low27.7Very low97 Ų97116.2 Ų116.252%0.51972%0.716SS.*  trans-67.1155.4173.4-87.9-50.2000110.2F41 G42N39-F41 PolarHBondContact O-N 2.92Å; N39-G42 PolarHBondContact O-N 2.73Å
40R29.7Very low27.8Very low247 Ų247118.6 Ų118.693%0.93271%0.711SS**THydrogen-bonded Turntrans-52.4-15.6-175.5-168.3176.2179-150.2-0.1115.5
41F38.5Very low27.7Very low168 Ų168123.1 Ų123.174%0.73772%0.718SS**THydrogen-bonded Turntrans-91.28.2176.4-62.7-73.7000114.4N39 F43N39-F41 PolarHBondContact O-N 2.92Å; F41-F43 HydrophobicContact CB-CD2 3.57Å; F41-F43 HydrophobicContact CB-CE2 3.48Å; F41-F43 VanDerWaalsContact CB-CE2 3.48Å; F41-F43 HydrophobicContact CG-CE2 4.4Å; F41-F43 PolarHBondContact O-N 2.84Å
42G25.9Very low27.8Very low62 Ų62123.2 Ų123.264%0.63971%0.708SS**SBendtrans72.312.9177.100000114.5N39N39-G42 PolarHBondContact O-N 2.73Å
43F28.8Very low27.8Very low151 Ų151124.6 Ų124.666%0.66270%0.702SS**  trans-80.9121.6169.5-56.4-64.5000109F41 D45F41-F43 HydrophobicContact CB-CD2 3.57Å; F41-F43 HydrophobicContact CB-CE2 3.48Å; F41-F43 VanDerWaalsContact CB-CE2 3.48Å; F41-F43 HydrophobicContact CG-CE2 4.4Å; F41-F43 PolarHBondContact O-N 2.84Å; F43-D45 PolarHBondContact O-N 3.44Å
44S24.2Very low27.8Very low98 Ų98125.6 Ų125.669%0.68570%0.698SS**BIsolated β-bridgetrans-67122.9166.2-34.40000108.4G46S44-G46 PolarHBondContact O-N 2.97Å
45D29.7Very low27.7Very low78 Ų78127.1 Ų127.142%0.41770%0.698SS.*  trans-61.2111.3168.1-81.8-26.6000108.6T37 F43 L47T37-D45 WeakPolarHBondContact CB-OD2 3.46Å; T37-D45 WeakPolarHBondContact O-CB 3.03Å; T37-D45 PolarHBondContact O-N 2.97Å; T37-D45 WeakPolarHBondContact OG1-CB 3.33Å; T37-D45 PolarHBondContact OG1-OD2 2.66Å; F43-D45 PolarHBondContact O-N 3.44Å; D45-L47 PolarHBondContact O-N 2.78Å
46G29.1Very low27.4Very low77 Ų77128.5 Ų128.579%0.79470%0.695SS**SBendtrans-74.149.4-174.400000114.5S44S44-G46 PolarHBondContact O-N 2.97Å
47L28.5Very low27.1Very low149 Ų149135.2 Ų135.278%0.7871%0.706SS**  trans-127.650.5174-64.5175.5000111.3D45 N49D45-L47 PolarHBondContact O-N 2.78Å; L47-N49 PolarHBondContact O-N 2.9Å
48I25.2Very low26.9Very low141 Ų141139.1 Ų139.172%0.72372%0.717SS**  trans-9185.3154.6-74.1178.1000106.4Q50I48-Q50 HydrophobicContact CG2-CB 3.58Å; I48-Q50 PolarHBondContact O-N 2.8Å
49N25.7Very low26.8Very low148 Ų148143.4 Ų143.479%0.79173%0.731SS**  trans-79.971.6153-72.2-23000106.5L47L47-N49 PolarHBondContact O-N 2.9Å
50Q25.4Very low26.8Very low144 Ų144147 Ų14767%0.67375%0.749SS**  trans-98.290.1163-155.4160.421.400105.2I48 H52I48-Q50 HydrophobicContact CG2-CB 3.58Å; I48-Q50 PolarHBondContact O-N 2.8Å; Q50-H52 PolarHBondContact O-N 3.12Å
51E24.7Very low26.5Very low178 Ų178142 Ų14283%0.83274%0.741SS**  trans-63.473.6164.9-165.5175.6-17700107T53E51-T53 PolarHBondContact O-N 2.95Å
52H24.2Very low26Very low147 Ų147140.7 Ų140.768%0.68175%0.747SS**  trans-85.484.5161.6-127-60.7000105.5Q50 D54Q50-H52 PolarHBondContact O-N 3.12Å; H52-D54 PolarHBondContact O-N 2.99Å
53T26.7Very low25.8Very low103 Ų103143.4 Ų143.463%0.63275%0.75SS**  trans-58.2102.5161-49.10000106.9E51E51-T53 PolarHBondContact O-N 2.95Å
54D23.4Very low25.5Very low133 Ų133144.5 Ų144.571%0.71176%0.757SS**  trans-149.1123.5152-93.9-45.2000110.1H52 D56H52-D54 PolarHBondContact O-N 2.99Å; D54-D56 PolarHBondContact O-N 3.29Å
55N25.6Very low25.4Very low143 Ų143145.2 Ų145.277%0.76576%0.758SS**  trans-47.4128.3175.3-61.8-77.2000111.4
56D23.6Very low25Very low154 Ų154149.2 Ų149.282%0.82478%0.779SS**  -172130.7121.9-104.3-32.5000113D54 Q58D54-D56 PolarHBondContact O-N 3.29Å; D56-Q58 PolarHBondContact O-N 2.81Å; D56-Q58 VanDerWaalsContact O-N 3.16Å
57R25.8Very low24.7Very low237 Ų237150.4 Ų150.489%0.89478%0.776SS**  trans-57.2107.1167.5-72.1166142.4134.1-5.8110
58Q23.5Very low24.4Very low178 Ų178148.7 Ų148.783%0.83278%0.776SS**  trans-141.4115.7152.4-69.8-163.2-0.700112D56 L60D56-Q58 PolarHBondContact O-N 2.81Å; D56-Q58 VanDerWaalsContact O-N 3.16Å; Q58-L60 PolarHBondContact O-N 2.72Å
59H25.3Very low24.4Very low178 Ų178151 Ų15182%0.82478%0.784SS**  trans-43.2126.5166.7-69.8-113.8000112
60L29.6Very low24.2Very low172 Ų172150 Ų15090%0.90179%0.787SS**  trans-126.1102.4159.6-89.4161.2000110Q58 V62Q58-L60 PolarHBondContact O-N 2.72Å; L60-V62 PolarHBondContact O-N 2.93Å
61N23.9Very low24.2Very low144 Ų144148 Ų14877%0.7779%0.79SS**  trans-42.3116.7173.7-69.1-30.1000112.6V63N61-V63 PolarHBondContact O-N 3.16Å
62V26.5Very low24.2Very low140 Ų140143.5 Ų143.585%0.84878%0.778SS**  trans-79.7103.1155.3179.90000106.9L60 Q64L60-V62 PolarHBondContact O-N 2.93Å; V62-Q64 PolarHBondContact O-N 3.3Å; V62-Q64 VanDerWaalsContact O-N 3.16Å
63V23.2Very low24.2Very low118 Ų118147.1 Ų147.172%0.71579%0.785SS**  trans-56.2113.7167.1173.40000108.1N61 T65N61-V63 PolarHBondContact O-N 3.16Å; V63-T65 PolarHBondContact O-N 3.31Å
64Q22.6Very low24.1Very low174 Ų174150.9 Ų150.981%0.81379%0.793SS**  trans-81.9102.2-179.7-154.4175.124.300108.3V62V62-Q64 PolarHBondContact O-N 3.3Å; V62-Q64 VanDerWaalsContact O-N 3.16Å
65T22.2Very low24.1Very low114 Ų114151.4 Ų151.470%0.69980%0.795SS**  trans-86.4109.7167.8430000109.1V63 S67V63-T65 PolarHBondContact O-N 3.31Å; T65-S67 PolarHBondContact O-N 3.44Å
66N20.5Very low24Very low162 Ų162154.8 Ų154.887%0.86680%0.798SS**  trans-5996168.8-85.3-22.8000109.8
67S22.7Very low24Very low102 Ų102151.3 Ų151.371%0.71378%0.78SS**  trans-142.6108.4156.348.40000108.7T65 H69T65-S67 PolarHBondContact O-N 3.44Å; S67-H69 PolarHBondContact O-N 3.15Å; S67-H69 VanDerWaalsContact O-N 3.11Å
68S22Very low24.2Very low113 Ų113145.4 Ų145.479%0.7977%0.772SS**  trans-63.798.9176.548.20000110.5
69H25.1Very low24.3Very low190 Ų190143.5 Ų143.588%0.8877%0.767SS**  trans-168.792.6144.8-94-60.6000107.7S67 S71S67-H69 PolarHBondContact O-N 3.15Å; S67-H69 VanDerWaalsContact O-N 3.11Å; H69-S71 PolarHBondContact O-N 3.15Å
70S22.8Very low24.2Very low125 Ų125139.8 Ų139.887%0.87475%0.753SS**  trans-69.385.2-178.647.90000111.5
71S24.6Very low24Very low104 Ų104138.1 Ų138.173%0.72775%0.75SS**  trans-96.881.8149.4166.20000106.5H69 R73H69-S71 PolarHBondContact O-N 3.15Å; S71-R73 PolarHBondContact O-N 3.22Å
72S23.7Very low23.9Very low82 Ų82140.3 Ų140.357%0.57375%0.749SS**  trans-59.6106.617060.90000107.6F74S72-F74 PolarHBondContact O-N 2Å
73R25.1Very low23.8Very low223 Ų223140.6 Ų140.684%0.84275%0.745SS**  trans-60.6104.3165.3-74.9-178.3-165.7177.64.4106S71 I75S71-R73 PolarHBondContact O-N 3.22Å; R73-I75 PolarHBondContact O-N 2.69Å
74F24.1Very low23.9Very low182 Ų182139.7 Ų139.780%0.79875%0.75SS**  trans-66.591160.8-76.5-82.4000106.5S72 Y76S72-F74 PolarHBondContact O-N 2Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.45Å; F74-Y76 VanDerWaalsContact O-N 3.11Å
75I23.8Very low24Very low145 Ų145134.4 Ų134.474%0.74474%0.743SS**  trans-66.2102.8158.7-61173.7000103.8R73 N77R73-I75 PolarHBondContact O-N 2.69Å; I75-N77 PolarHBondContact O-N 3.39Å
76Y23.7Very low24.1Very low213 Ų213137.6 Ų137.684%0.83575%0.75SS**  trans-69.985.8174-140.5-84.5000107.4F74 P78F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.45Å; F74-Y76 VanDerWaalsContact O-N 3.11Å; Y76-P78 WeakPolarHBondContact O-CD 2.94Å
77N23.4Very low24.3Very low82 Ų82138.1 Ų138.144%0.43975%0.752SS.*  trans-86.7110.6165.7-175.49.3000106.8I75 L79 N80I75-N77 PolarHBondContact O-N 3.39Å; N77-L79 PolarHBondContact O-N 2.91Å; N77-N80 PolarHBondContact O-N 2.87Å
78P28.9Very low24.4Very low113 Ų113140.7 Ų140.773%0.73476%0.757SS**THydrogen-bonded Turntrans-60.9-9.3-175.322.7-32.8000114.6Y76Y76-P78 WeakPolarHBondContact O-CD 2.94Å
79L27.5Very low24.5Very low137 Ų137140 Ų14072%0.71775%0.75SS**THydrogen-bonded Turntrans-103.7-9.1-174.4-80.6160.3000116.5N77N77-L79 PolarHBondContact O-N 2.91Å
80N21.8Very low24.6Very low101 Ų101137.2 Ų137.254%0.5475%0.749SS.*  trans-121.762.3-178.1-73.3-3.8000112.2N77 Y82N77-N80 PolarHBondContact O-N 2.87Å; N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.14Å
81V25.3Very low24.8Very low136 Ų136137.8 Ų137.882%0.82475%0.747SS**  trans-92.475.3145.7-174.20000105.8D83V81-D83 VanDerWaalsContact C-N 3.29Å; V81-D83 PolarHBondContact O-N 2.97Å; V81-D83 VanDerWaalsContact O-N 3.16Å
82Y22Very low24.7Very low191 Ų191136.5 Ų136.575%0.74974%0.743SS**  trans-70.4100.1154-77.4-85.4000105N80 A84N80-Y82 HydrophobicContact CB-CD2 4.23Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.14Å; Y82-A84 PolarHBondContact O-N 2.8Å; Y82-A84 VanDerWaalsContact O-N 3.11Å
83D24.3Very low24.7Very low145 Ų145139.8 Ų139.878%0.77575%0.754SS**  trans-62.8112.8161.1-162.1-1.7000106.3V81 G85V81-D83 VanDerWaalsContact C-N 3.29Å; V81-D83 PolarHBondContact O-N 2.97Å; V81-D83 VanDerWaalsContact O-N 3.16Å; D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.09Å
84A25.1Very low24.6Very low99 Ų99134.5 Ų134.582%0.81875%0.751SS**SBendtrans-71.591.1-174.900000108.4Y82Y82-A84 PolarHBondContact O-N 2.8Å; Y82-A84 VanDerWaalsContact O-N 3.11Å
85G24.6Very low24.6Very low64 Ų64134.6 Ų134.666%0.6675%0.754SS**SBendtrans97.885.9163.100000113.9D83D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.09Å
86E24.4Very low24.6Very low181 Ų181138.9 Ų138.985%0.84676%0.761SS**  -161.4128.1129.1-108.1174.2-163.500109.3L88E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.14Å
87N24.8Very low24.7Very low172 Ų172138.5 Ų138.592%0.9276%0.759SS**  trans-6583.1-174.3-67.4-66.1000111.7
88L25.9Very low24.7Very low156 Ų156144.5 Ų144.582%0.81778%0.776SS**  trans-81.5123.3169.2-73170.2000109.8E86E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.14Å
89P23.7Very low24.5Very low99 Ų99146 Ų14664%0.64377%0.773SS**  trans-61.8146178.723.9-31.7000110.9V91P89-V91 PolarHBondContact O-N 2.98Å
90P27.9Very low24.3Very low131 Ų131145.8 Ų145.885%0.85178%0.778SS**  trans-68.7103-176.627-32.3000109.7A92P90-A92 PolarHBondContact O-N 2.84Å; P90-A92 VanDerWaalsContact O-N 3.14Å
91V26.1Very low24.7Very low138 Ų138150.3 Ų150.384%0.83679%0.789SS**  trans-77102.7172.3-178.90000108.1P89P89-V91 PolarHBondContact O-N 2.98Å
92A22.5Very low24.5Very low77 Ų77147.9 Ų147.964%0.63678%0.777SS**  trans-56.7133.2165.100000110.9P90P90-A92 PolarHBondContact O-N 2.84Å; P90-A92 VanDerWaalsContact O-N 3.14Å
93N22.6Very low24.9Very low150 Ų150144.3 Ų144.380%0.80278%0.778SS**  trans57.3102.6153.9-58.9-19.1000118.6
94S23.1Very low24.8Very low113 Ų113143.6 Ų143.679%0.7977%0.774SS**  145.4120.6113.159.20000111.9R96S94-R96 PolarHBondContact O-N 3.29Å
95E25.6Very low25Very low184 Ų184147.1 Ų147.186%0.8677%0.771SS**SBendtrans24.994.1149.1-60.6178.3169.900116.8
96R23.9Very low25.1Very low234 Ų234150 Ų15088%0.88377%0.77SS**  trans162.931.4144.4-90.5172.6-163.5-151.19114.8S94 R98S94-R96 PolarHBondContact O-N 3.29Å; R96-R98 PolarHBondContact O-N 2.79Å
97Y24.4Very low25.2Very low206 Ų206148.2 Ų148.281%0.80876%0.762SS**  trans-79.164.7163.5-143.4-114.7000110.3Q99Y97-Q99 HydrophobicContact CD1-CG 3.35Å; Y97-Q99 HydrophobicContact CE1-CG 3.18Å; Y97-Q99 HydrophobicContact CG-CG 4.44Å; Y97-Q99 PolarHBondContact O-N 3.23Å
98R23.6Very low25.1Very low208 Ų208146.6 Ų146.679%0.78575%0.753SS**  trans-63.191.9149.3-79.2-175.2170.3-134.8-2.2104.5R96 T100R96-R98 PolarHBondContact O-N 2.79Å; R98-T100 VanDerWaalsContact C-N 3.32Å; R98-T100 PolarHBondContact O-N 2.94Å
99Q25Very low25.1Very low144 Ų144143.5 Ų143.567%0.67374%0.741SS**  trans-54.8109.5159.7-76-175.51000105.8Y97 Y101Y97-Q99 HydrophobicContact CD1-CG 3.35Å; Y97-Q99 HydrophobicContact CE1-CG 3.18Å; Y97-Q99 HydrophobicContact CG-CG 4.44Å; Y97-Q99 PolarHBondContact O-N 3.23Å; Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.86Å
100T23.9Very low25Very low133 Ų133143.2 Ų143.282%0.81674%0.741SS**  trans-54.8100.7172-42.50000106.3R98 S102R98-T100 VanDerWaalsContact C-N 3.32Å; R98-T100 PolarHBondContact O-N 2.94Å; T100-S102 PolarHBondContact O-N 2.82Å; T100-S102 VanDerWaalsContact O-N 3.09Å
101Y29Very low24.8Very low196 Ų196145.2 Ų145.277%0.76975%0.745SS**  trans-45.5119.8163-91.1-97.2000106.8Q99 P103Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.86Å; Y101-P103 WeakPolarHBondContact O-CD 2.89Å
102S23Very low24.6Very low84 Ų84143.2 Ų143.259%0.58774%0.737SS**  trans-66.9115.9167.8-176.50000106.6T100 N104 F105T100-S102 PolarHBondContact O-N 2.82Å; T100-S102 VanDerWaalsContact O-N 3.09Å; S102-N104 PolarHBondContact O-N 3.22Å; S102-F105 PolarHBondContact O-N 3.22Å
103P29.1Very low24.8Very low117 Ų117146.7 Ų146.776%0.7674%0.743SS**THydrogen-bonded Turntrans-64.2-2.2-176.724.7-32.8000113.8Y101Y101-P103 WeakPolarHBondContact O-CD 2.89Å
104N23.7Very low24.7Very low129 Ų129143.8 Ų143.869%0.6973%0.734SS**THydrogen-bonded Turntrans-112.914.8-175.3-65.5-30.8000114.5S102 I106S102-N104 PolarHBondContact O-N 3.22Å; N104-I106 PolarHBondContact O-N 3.45Å
105F27.3Very low24.8Very low174 Ų174145.7 Ų145.776%0.76374%0.736SS**  trans-76.160.6168.8-155.9-96.1000110.6S102 Q107S102-F105 PolarHBondContact O-N 3.22Å; F105-Q107 VanDerWaalsContact C-N 3.3Å; F105-Q107 HydrophobicContact CD1-CB 4.46Å; F105-Q107 HydrophobicContact CE1-CB 4.1Å; F105-Q107 PolarHBondContact O-N 3.46Å; F105-Q107 VanDerWaalsContact O-N 3.11Å
106I26.8Very low24.7Very low125 Ų125144.4 Ų144.464%0.64174%0.735SS**  trans-68.7100155.4-58.9173.7000103.6N104 N108N104-I106 PolarHBondContact O-N 3.45Å; I106-N108 WeakPolarHBondContact CG2-OD1 3.08Å; I106-N108 PolarHBondContact O-N 3.44Å
107Q27.3Very low24.7Very low142 Ų142137.2 Ų137.266%0.66472%0.72SS**  trans-62.992.1160.2-170.3172.62.100105.3F105 T109F105-Q107 VanDerWaalsContact C-N 3.3Å; F105-Q107 HydrophobicContact CD1-CB 4.46Å; F105-Q107 HydrophobicContact CE1-CB 4.1Å; F105-Q107 PolarHBondContact O-N 3.46Å; F105-Q107 VanDerWaalsContact O-N 3.11Å; Q107-T109 PolarHBondContact O-N 3.3Å
108N22.8Very low24.6Very low138 Ų138131.5 Ų131.574%0.73872%0.724SS**  trans-57.489.2165-86.3-1.7000105.7I106 S110I106-N108 WeakPolarHBondContact CG2-OD1 3.08Å; I106-N108 PolarHBondContact O-N 3.44Å; N108-S110 PolarHBondContact O-N 3.46Å
109T26.1Very low24.6Very low91 Ų91126.3 Ų126.356%0.55872%0.715SS**  trans-64.197.3152.643.70000104.1Q107 D111Q107-T109 PolarHBondContact O-N 3.3Å; T109-D111 PolarHBondContact O-N 2.91Å
110S21.9Very low24.4Very low93 Ų93124.1 Ų124.165%0.6572%0.716SS**  trans-37.6124.517245.60000109.7N108 S112N108-S110 PolarHBondContact O-N 3.46Å; S110-S112 PolarHBondContact O-N 3.32Å
111D24.2Very low24.5Very low173 Ų173122 Ų12293%0.92571%0.705SS**SBendtrans-60.967.2-178.2-65.7-59.2000113.1T109T109-D111 PolarHBondContact O-N 2.91Å
112S21.4Very low24.2Very low97 Ų97123 Ų12368%0.67871%0.708SS**  trans-130.447.8168.268.30000109.8S110S110-S112 PolarHBondContact O-N 3.32Å
113I26.7Very low24.3Very low150 Ų150123.9 Ų123.977%0.76971%0.714SS**  trans-93.289.3151.4-58176.2000104.4N115I113-N115 PolarHBondContact O-N 2.79Å
114S21.2Very low24Very low88 Ų88122 Ų12262%0.61570%0.703SS**  trans-55.5119.6166.554.10000108D116S114-D116 PolarHBondContact O-N 3.11Å
115N23.4Very low24.2Very low154 Ų154123 Ų12382%0.82471%0.707SS**  trans-67.349175.2-89.7-20.2000112.5I113 S117I113-N115 PolarHBondContact O-N 2.79Å; N115-S117 VanDerWaalsContact C-N 3.34Å
116D23.6Very low24.1Very low156 Ų156117.5 Ų117.583%0.83469%0.687SS**  trans-88.9-1.8179.9-100.7-5.8000113.7S114S114-D116 PolarHBondContact O-N 3.11Å
117S23.9Very low24.1Very low83 Ų83115 Ų11558%0.5868%0.681SS**SBendtrans-120.9110.4168.556.60000107.3N115 V119N115-S117 VanDerWaalsContact C-N 3.34Å; S117-V119 PolarHBondContact O-N 2.76Å
118G23.6Very low24.3Very low86 Ų86114.3 Ų114.389%0.88768%0.676SS**  trans-64.141176.700000113.8S120G118-S120 PolarHBondContact O-N 3.01Å; G118-S120 VanDerWaalsContact O-N 3.12Å
119V22.5Very low24.6Very low99 Ų99115.3 Ų115.360%0.668%0.677SS**  trans-76.496.1170-168.20000105.8S117S117-V119 PolarHBondContact O-N 2.76Å
120S22.1Very low24.8Very low98 Ų98115.1 Ų115.169%0.68567%0.672SS**  trans-48.3125164.4-810000107.9G118 Y122G118-S120 PolarHBondContact O-N 3.01Å; G118-S120 VanDerWaalsContact O-N 3.12Å; S120-Y122 PolarHBondContact O-N 3.3Å
121P24.9Very low25.2Very low90 Ų90115 Ų11558%0.58466%0.664SS**  trans-57.8116.3179.523-31000107.1C123P121-C123 PolarHBondContact O-N 3.04Å
122Y23.4Very low25.8Very low215 Ų215114 Ų11484%0.84366%0.656SS**  trans-54.9110.8174.2-89.9-101.8000107.7S120 S124S120-Y122 PolarHBondContact O-N 3.3Å; Y122-S124 PolarHBondContact O-N 3.49Å
123C25.2Very low26.4Very low104 Ų104116.1 Ų116.170%0.70366%0.659SS**  trans-62.180.8170.5-690000109.6P121 I125P121-C123 PolarHBondContact O-N 3.04Å; C123-I125 PolarHBondContact O-N 3.36Å
124S23.1Very low26.7Very low76 Ų76110.8 Ų110.853%0.53164%0.642SS.*  trans-83.998.3160.5-177.80000106.2Y122 V126Y122-S124 PolarHBondContact O-N 3.49Å; S124-V126 PolarHBondContact O-N 3.39Å; S124-V126 WeakPolarHBondContact OG-CG2 3.35Å
125I26Very low27.2Very low151 Ų151110.5 Ų110.577%0.77463%0.63SS**  trans-66.580.5164.9-56.6171.8000105.7C123 S127C123-I125 PolarHBondContact O-N 3.36Å; I125-S127 PolarHBondContact O-N 2.78Å
126V26.1Very low27.7Very low58 Ų58106.7 Ų106.735%0.35261%0.61SS.*  trans-81.9106166-160.70000105.7S124 F128 I139S124-V126 PolarHBondContact O-N 3.39Å; S124-V126 WeakPolarHBondContact OG-CG2 3.35Å; V126-F128 HydrophobicContact CB-CD2 3.51Å; V126-F128 HydrophobicContact CB-CE2 3.24Å; V126-F128 HydrophobicContact CB-CG 4.38Å; V126-F128 HydrophobicContact CB-CZ 3.89Å; V126-F128 HydrophobicContact CG1-CD1 4.02Å; V126-F128 HydrophobicContact CG1-CD2 3.47Å; V126-F128 VanDerWaalsContact CG1-CD2 3.47Å; V126-F128 HydrophobicContact CG1-CE1 3.64Å; V126-F128 HydrophobicContact CG1-CE2 3.08Å; V126-F128 HydrophobicContact CG1-CG 3.95Å; V126-F128 HydrophobicContact CG1-CZ 3.17Å; V126-F128 HydrophobicContact CG2-CE2 3.85Å; V126-F128 HydrophobicContact CG2-CZ 4.38Å; V126-F128 PolarHBondContact O-N 2.81Å; V126-I139 HydrophobicContact CB-CD1 4.32Å
127S25.9Very low28.3Very low72 Ų72103.5 Ų103.550%0.50359%0.589SS.*  trans-65.682169.161.40000108.3I125I125-S127 PolarHBondContact O-N 2.78Å
128F31.7Very low28.8Very low128 Ų128101 Ų10156%0.56157%0.571SS**  trans-83.2123.9171.6-74-66.5000109V126 N130 F137V126-F128 HydrophobicContact CB-CD2 3.51Å; V126-F128 HydrophobicContact CB-CE2 3.24Å; V126-F128 HydrophobicContact CB-CG 4.38Å; V126-F128 HydrophobicContact CB-CZ 3.89Å; V126-F128 HydrophobicContact CG1-CD1 4.02Å; V126-F128 HydrophobicContact CG1-CD2 3.47Å; V126-F128 VanDerWaalsContact CG1-CD2 3.47Å; V126-F128 HydrophobicContact CG1-CE1 3.64Å; V126-F128 HydrophobicContact CG1-CE2 3.08Å; V126-F128 HydrophobicContact CG1-CG 3.95Å; V126-F128 HydrophobicContact CG1-CZ 3.17Å; V126-F128 HydrophobicContact CG2-CE2 3.85Å; V126-F128 HydrophobicContact CG2-CZ 4.38Å; V126-F128 PolarHBondContact O-N 2.81Å; F128-N130 PolarHBondContact O-N 3.43Å; F128-F137 HydrophobicContact CB-CE1 4.07Å; F128-F137 HydrophobicContact CB-CZ 3.97Å; F128-F137 HydrophobicContact CD2-CZ 4.49Å
129Q30.5Very low29.4Very low160 Ų160100.6 Ų100.675%0.74855%0.548SS*.  trans-33.6119.8173.2-78.1168.5-21.600111
130N29.3Very low30Very low86 Ų8699.9 Ų99.946%0.4654%0.541SS..  trans17.9113.8143.5-71.9-18.1000114.3F128F128-N130 PolarHBondContact O-N 3.43Å
131N31.5Very low30.5Very low90 Ų9095.4 Ų95.448%0.48151%0.51SS..  trans-48.5160.6155.1-169.5-6.8000108.9N133 G134N131-N133 CarbonylContact O-C 3.08Å; N131-N133 PolarHBondContact O-N 2.87Å; N131-G134 PolarHBondContact O-N 2.72Å
132M36Very low31.1Very low153 Ų153100.9 Ų100.975%0.75452%0.519SS*.THydrogen-bonded Turntrans-51.4-15-177.5-71-150.3-81.900115
133N34.3Very low31.4Very low141 Ų14199.1 Ų99.175%0.75451%0.512SS*.THydrogen-bonded Turntrans-102.96.7173.6-63.1-12.1000115.5N131N131-N133 CarbonylContact O-C 3.08Å; N131-N133 PolarHBondContact O-N 2.87Å
134G31.7Very low31.8Very low39 Ų3999.7 Ų99.740%0.40251%0.508SS..  trans79.216.7178.500000116.4N131N131-G134 PolarHBondContact O-N 2.72Å
135Q32.8Very low32.3Very low81 Ų8197.1 Ų97.138%0.37949%0.487SS..  trans-93.1129.7-178.4-65.6-170.32.400112.1
136N34.3Very low32.5Very low75 Ų7595 Ų9540%0.40148%0.481SS..  trans-68.9139.4173-63.6-40.1000110.2H145N136-H145 WeakPolarHBondContact O-CB 3.07Å; N136-H145 PolarHBondContact O-ND1 2.72Å
137F35.9Very low32.8Very low88 Ų8898.5 Ų98.539%0.38650%0.495SS..BIsolated β-bridgetrans-117.2147.5172.768-86.3000110.4F128 I139F128-F137 HydrophobicContact CB-CE1 4.07Å; F128-F137 HydrophobicContact CB-CZ 3.97Å; F128-F137 HydrophobicContact CD2-CZ 4.49Å; F137-I139 HydrophobicContact CD2-CG1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 3.73Å
138C33.8Very low33.1Very low30 Ų30100.8 Ų100.820%0.20350%0.501CS..  trans-86.7129.5167.4176.80000109.4D140 C141 R142 H145C138-D140 VanDerWaalsContact C-N 3.31Å; C138-D140 PolarHBondContact O-N 2.95Å; C138-D140 PolarHBondContact SG-N 3.16Å; C138-D140 VanDerWaalsContact SG-N 3.44Å; C138-C141 HydrophobicContact CB-CB 4.02Å; C138-C141 PolarHBondContact O-N 3.11Å; C138-R142 PolarHBondContact O-N 3.22Å; C138-H145 WeakPolarHBondContact CB-NE2 3.05Å; C138-H145 PolarHBondContact N-CE1 3.1Å; C138-H145 VanDerWaalsContact N-CE1 3.31Å; C138-H145 PolarHBondContact N-NE2 2.75Å; C138-H145 VanDerWaalsContact N-NE2 3.16Å
139I36.8Very low33.2Very low78 Ų7899.1 Ų99.140%0.451%0.505SS..THydrogen-bonded Turntrans-62.8-38177.8-73.2167.5000111.4V126 F137 C141V126-I139 HydrophobicContact CB-CD1 4.32Å; F137-I139 HydrophobicContact CD2-CG1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 3.73Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 2.88Å
140D34.2Very low33.3Very low84 Ų8494.8 Ų94.845%0.44950%0.503SS..THydrogen-bonded Turntrans-68.9-31.6179.5-75-22000112.3C138C138-D140 VanDerWaalsContact C-N 3.31Å; C138-D140 PolarHBondContact O-N 2.95Å; C138-D140 PolarHBondContact SG-N 3.16Å; C138-D140 VanDerWaalsContact SG-N 3.44Å
141C33.5Very low33.4Very low5 Ų598 Ų983%0.03452%0.515CS..THydrogen-bonded Turntrans-93.8-28.3-175.2-50.20000112.6C138 I139 Y143 C155 C157C138-C141 HydrophobicContact CB-CB 4.02Å; C138-C141 PolarHBondContact O-N 3.11Å; I139-C141 VanDerWaalsContact C-N 3.3Å; I139-C141 PolarHBondContact O-N 2.88Å; C141-Y143 WeakPolarHBondContact O-CD2 3.49Å; C141-Y143 PolarHBondContact O-N 3.27Å; C141-C155 HydrophobicContact CB-CB 4.23Å; C141-C155 WeakPolarHBondContact CB-SG 3.5Å; C141-C155 WeakPolarHBondContact SG-CB 3.44Å; C141-C155 CovalentContact SG-SG 2Å; C141-C155 PolarHBondContact SG-SG 2.99Å; C141-C157 HydrophobicContact CB-CB 4.41Å; C141-C157 VanDerWaalsContact CB-SG 3.53Å; C141-C157 VanDerWaalsContact SG-CB 3.52Å; C141-C157 PolarHBondContact SG-SG 2.78Å
142R36.4Very low33.3Very low205 Ų20598.7 Ų98.777%0.77452%0.517SS*.  trans49-0-167.4-63.3-172.6175.1-178.2-0.4115.4C138C138-R142 PolarHBondContact O-N 3.22Å
143Y30.1Very low33.2Very low178 Ų17892.3 Ų92.370%0.69849%0.487SS*.SBendtrans-92.7134.8-179.7-72.2-67000109.9C141 H145C141-Y143 WeakPolarHBondContact O-CD2 3.49Å; C141-Y143 PolarHBondContact O-N 3.27Å; Y143-H145 PolarHBondContact O-N 2.85Å
144N33Very low33.2Very low115 Ų11587.9 Ų87.962%0.61547%0.467SS*.BIsolated β-bridgetrans-49.4121.2175.5-69.6-37.1000110V146N144-V146 PolarHBondContact O-N 2.91Å
145H34.2Very low33.4Very low23 Ų2387 Ų8711%0.10645%0.454CS..PPolyproline II helixtrans-65.9121.6169.6-67.8174.6000108.9N136 C138 Y143 C153N136-H145 WeakPolarHBondContact O-CB 3.07Å; N136-H145 PolarHBondContact O-ND1 2.72Å; C138-H145 WeakPolarHBondContact CB-NE2 3.05Å; C138-H145 PolarHBondContact N-CE1 3.1Å; C138-H145 VanDerWaalsContact N-CE1 3.31Å; C138-H145 PolarHBondContact N-NE2 2.75Å; C138-H145 VanDerWaalsContact N-NE2 3.16Å; Y143-H145 PolarHBondContact O-N 2.85Å; H145-C153 HydrophobicContact CB-CB 4.42Å; H145-C153 VanDerWaalsContact CB-SG 3.54Å; H145-C153 PolarHBondContact ND1-SG 3.25Å
146V30Very low33.6Very low107 Ų10793.1 Ų93.165%0.64848%0.48SS*.PPolyproline II helixtrans-84116.5165.9-172.50000106.3N144 I148N144-V146 PolarHBondContact O-N 2.91Å; V146-I148 PolarHBondContact O-N 3.41Å; V146-I148 VanDerWaalsContact O-N 3.08Å
147M32.8Very low33.7Very low131 Ų13193 Ų9365%0.64548%0.484SS*.EExtended strand (participates in β ladder)trans-60.5113.1168-79.2-157.3-7100108.3
148I31.9Very low33.7Very low120 Ų12093.3 Ų93.362%0.61549%0.486SS*.EExtended strand (participates in β ladder)trans-80.1-39.6175.4-61.5-179.9000109.6V146 S154V146-I148 PolarHBondContact O-N 3.41Å; V146-I148 VanDerWaalsContact O-N 3.08Å; I148-S154 WeakPolarHBondContact CD1-OG 3.42Å
149S33.4Very low34Very low93 Ų93100 Ų10065%0.6552%0.52SS*.EExtended strand (participates in β ladder)trans-174.1101.7175.929.10000111Q151S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.31Å
150G33.1Very low33.9Very low68 Ų68102.4 Ų102.470%0.70153%0.53SS*.THydrogen-bonded Turntrans72.9-49.4158.400000118.7
151Q31.2Very low33.9Very low153 Ų153103.2 Ų103.272%0.71554%0.542SS*.THydrogen-bonded Turntrans-142.2-11.3-167.3-67.1-1788.800115.3S149S149-Q151 VanDerWaalsContact C-N 3.31Å; S149-Q151 PolarHBondContact O-N 3.31Å
152M30.4Very low34Very low106 Ų106109.7 Ų109.752%0.52257%0.57SS.*EExtended strand (participates in β ladder)trans-113125.4-177.4-64.7-176.6-179.700111.6E163M152-E163 HydrophobicContact CE-CG 3.79Å; M152-E163 WeakPolarHBondContact CE-OE1 3.39Å; M152-E163 HydrophobicContact SD-CG 4.37Å
153C32.9Very low33.6Very low19 Ų19106.6 Ų106.613%0.12856%0.564CS.*EExtended strand (participates in β ladder)trans-95.5123.8163.9-85.20000108.9H145 V164H145-C153 HydrophobicContact CB-CB 4.42Å; H145-C153 VanDerWaalsContact CB-SG 3.54Å; H145-C153 PolarHBondContact ND1-SG 3.25Å; C153-V164 HydrophobicContact CB-CG2 4.41Å
154S34.2Very low33.8Very low47 Ų47101.8 Ų101.833%0.32955%0.553SS.*PPolyproline II helixtrans-102.2117.1165.165.30000108.8I148I148-S154 WeakPolarHBondContact CD1-OG 3.42Å
155C36.1Very low33.5Very low21 Ų21102.1 Ų102.114%0.14256%0.559CS.*PPolyproline II helixtrans-89.2128.4165.1171.40000109.5C141 C157 H158C141-C155 HydrophobicContact CB-CB 4.23Å; C141-C155 WeakPolarHBondContact CB-SG 3.5Å; C141-C155 WeakPolarHBondContact SG-CB 3.44Å; C141-C155 CovalentContact SG-SG 2Å; C141-C155 PolarHBondContact SG-SG 2.99Å; C155-C157 PolarHBondContact O-N 2.9Å; C155-C157 VanDerWaalsContact O-N 3.15Å; C155-C157 WeakPolarHBondContact SG-CB 3.08Å; C155-C157 PolarHBondContact SG-N 2.76Å; C155-C157 PolarHBondContact SG-SG 3.16Å; C155-H158 PolarHBondContact O-N 2.95Å; C155-H158 VanDerWaalsContact O-N 3.15Å
156K37.7Very low33.3Very low209 Ų209104.1 Ų104.191%0.90957%0.573SS**THydrogen-bonded Turntrans-62.7-16.2176.5-77-170.9176.7-176.10114.8H158K156-H158 PolarHBondContact O-N 3.46Å
157C36.6Very low33.1Very low72 Ų72104.5 Ų104.549%0.48658%0.576SS.*THydrogen-bonded Turntrans-69.6-23.7176.2-53.50000112C141 C155C141-C157 HydrophobicContact CB-CB 4.41Å; C141-C157 VanDerWaalsContact CB-SG 3.53Å; C141-C157 VanDerWaalsContact SG-CB 3.52Å; C141-C157 PolarHBondContact SG-SG 2.78Å; C155-C157 PolarHBondContact O-N 2.9Å; C155-C157 VanDerWaalsContact O-N 3.15Å; C155-C157 WeakPolarHBondContact SG-CB 3.08Å; C155-C157 PolarHBondContact SG-N 2.76Å; C155-C157 PolarHBondContact SG-SG 3.16Å
158H36.4Very low32.6Very low95 Ų95104.1 Ų104.144%0.4458%0.583SS.*SBendtrans-110.5109.6169-57.5-76.2000107C155 K156 E160C155-H158 PolarHBondContact O-N 2.95Å; C155-H158 VanDerWaalsContact O-N 3.15Å; K156-H158 PolarHBondContact O-N 3.46Å; H158-E160 CarbonylContact O-C 3.01Å; H158-E160 PolarHBondContact O-N 2.95Å
159N38.8Very low32.5Very low171 Ų171104.1 Ų104.191%0.91458%0.583SS**SBendtrans-60.3-5.8171.7-157.325.2000112.3
160E36Very low32Very low128 Ų128106.8 Ų106.860%0.59859%0.589SS**SBendtrans-98.2109.9170.9-61.9175.7-174.600108.3H158 K162H158-E160 CarbonylContact O-C 3.01Å; H158-E160 PolarHBondContact O-N 2.95Å; E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE2-CE 3.5Å; E160-K162 IonicContact OE2-NZ 3.71Å
161S33.1Very low31.5Very low102 Ų102111 Ų11171%0.71360%0.596SS**  trans-60.675.4162.653.70000109.4E163S161-E163 PolarHBondContact O-N 2.78Å
162K35Very low31.2Very low141 Ų141112.5 Ų112.561%0.61360%0.6SS**  trans-69.5121170.9-72.6-170.9179.1-179.50106.6E160 V164E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE2-CE 3.5Å; E160-K162 IonicContact OE2-NZ 3.71Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.19Å
163E28.6Very low30.9Very low139 Ų139109.4 Ų109.465%0.6560%0.596SS**  trans-52.5100.8170.5-74-177.714600108M152 S161 T165M152-E163 HydrophobicContact CE-CG 3.79Å; M152-E163 WeakPolarHBondContact CE-OE1 3.39Å; M152-E163 HydrophobicContact SD-CG 4.37Å; S161-E163 PolarHBondContact O-N 2.78Å; E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 2.94Å
164V34.3Very low30.6Very low77 Ų77115.1 Ų115.147%0.46763%0.63SS.*  trans-7197.2168.5-179.70000104.7C153 K162 T166C153-V164 HydrophobicContact CB-CG2 4.41Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.19Å; V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.11Å
165T27.6Very low30.1Very low122 Ų122120.1 Ų120.175%0.74865%0.653SS**  trans-58.199.1171.7-42.90000107.3E163 T167E163-T165 VanDerWaalsContact C-N 3.29Å; E163-T165 PolarHBondContact O-N 2.94Å; T165-T167 VanDerWaalsContact C-N 3.27Å; T165-T167 PolarHBondContact O-N 2.82Å
166T29.8Very low29.5Very low65 Ų65124.5 Ų124.540%0.39968%0.68SS.*  trans-72.186.9176.237.80000106.9V164 P168V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 PolarHBondContact O-N 3.11Å; T166-P168 WeakPolarHBondContact O-CD 3.4Å; T166-P168 VanDerWaalsContact O-N 3.12Å
167T25.5Very low28.9Very low116 Ų116125.9 Ų125.971%0.71268%0.679SS**PPolyproline II helixtrans-57.2119.8164.541.20000107T165 I169T165-T167 VanDerWaalsContact C-N 3.27Å; T165-T167 PolarHBondContact O-N 2.82Å; T167-I169 PolarHBondContact O-N 2.8Å; T167-I169 VanDerWaalsContact O-N 3.12Å
168P23Very low28.4Very low122 Ų122125.6 Ų125.679%0.79268%0.678SS**PPolyproline II helixtrans-60121-17621.7-31.2000109.2T166 L170T166-P168 WeakPolarHBondContact O-CD 3.4Å; T166-P168 VanDerWaalsContact O-N 3.12Å; P168-L170 PolarHBondContact O-N 3.44Å
169I28.6Very low28.1Very low121 Ų121125.2 Ų125.262%0.62169%0.691SS**PPolyproline II helixtrans-59.1123.8168.6-60.4170.9000105.9T167 N171T167-I169 PolarHBondContact O-N 2.8Å; T167-I169 VanDerWaalsContact O-N 3.12Å; I169-N171 PolarHBondContact O-N 3.3Å
170L23.1Very low27.4Very low149 Ų149124.9 Ų124.978%0.7868%0.684SS**  trans-39.7112.3177.9-77.4158.3000110.1P168 F172P168-L170 PolarHBondContact O-N 3.44Å; L170-F172 PolarHBondContact O-N 2.64Å
171N21.9Very low27Very low155 Ų155125.8 Ų125.883%0.82969%0.686SS**  trans-6797.8177.7-160.24.7000106.8I169 G173I169-N171 PolarHBondContact O-N 3.3Å; N171-G173 PolarHBondContact O-N 2.82Å
172F26.3Very low26.8Very low185 Ų185128.3 Ų128.381%0.81169%0.691SS**  trans-6784.3166.4-75.8-81.9000107L170 T174L170-F172 PolarHBondContact O-N 2.64Å; F172-T174 PolarHBondContact O-N 2.75Å
173G22.7Very low26.3Very low42 Ų42128.5 Ų128.543%0.43370%0.699SS.*  trans-55.5109.7175.600000109.3N171 N175N171-G173 PolarHBondContact O-N 2.82Å; G173-N175 PolarHBondContact O-N 2.7Å
174T26.8Very low26.1Very low138 Ų138130.4 Ų130.485%0.84770%0.7SS**  trans3032.5137.354.50000119.5F172 T176F172-T174 PolarHBondContact O-N 2.75Å; T174-T176 PolarHBondContact O-N 3.47Å
175N23.8Very low25.8Very low153 Ų153132.1 Ų132.182%0.81871%0.713SS**  trans-94.383.7164-84.3-16000108.4G173G173-N175 PolarHBondContact O-N 2.7Å
176T24.8Very low25.9Very low113 Ų113131.2 Ų131.269%0.69370%0.703SS**  trans-1133.9142.746.90000116.8T174T174-T176 PolarHBondContact O-N 3.47Å
177R25Very low25.6Very low238 Ų238130.8 Ų130.890%0.89870%0.702SS**  trans76.682.4155.2-62.3172.3177.5-168-0.7116
178S25.4Very low25.9Very low66 Ų66129.6 Ų129.646%0.46270%0.699SS.*  178.9129.411143.60000109Q180S178-Q180 PolarHBondContact O-N 3.04Å
179A29Very low26Very low87 Ų87130.1 Ų130.172%0.71970%0.695SS**THydrogen-bonded Turntrans-64.710176.100000113.8
180Q26Very low25.7Very low164 Ų164131.9 Ų131.977%0.76671%0.706SS**THydrogen-bonded Turntrans-82.5-15-178.2-71-177.6-2100113.4S178S178-Q180 PolarHBondContact O-N 3.04Å
181F26.8Very low25.8Very low146 Ų146130.5 Ų130.564%0.6469%0.691SS**SBendtrans-94.4-7-179.3-70.9-76.5000115.7N183 R184F181-N183 PolarHBondContact O-N 3.18Å; F181-R184 PolarHBondContact O-N 2.77Å
182L28.8Very low25.8Very low156 Ų156130.9 Ų130.982%0.81769%0.692SS**THydrogen-bonded Turntrans-69.8-20.4175.2-77.2167.2000113.1
183N24.8Very low25.9Very low144 Ų144127.6 Ų127.677%0.7769%0.687SS**THydrogen-bonded Turntrans-102.710.1-179-73.1-34000113.9F181 P185F181-N183 PolarHBondContact O-N 3.18Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å
184R24.3Very low26.3Very low179 Ų179131.1 Ų131.168%0.67570%0.702SS**SBendtrans-85.6106.8170.9-165.5172.2-180-151.9-0.8107.8F181 L186F181-R184 PolarHBondContact O-N 2.77Å; R184-L186 PolarHBondContact O-N 3.28Å
185P27.3Very low26.2Very low114 Ų114129.7 Ų129.774%0.7469%0.694SS**  trans-53.7121.2166.121.5-30.3000106.9N183 S187N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-S187 PolarHBondContact O-N 2.94Å
186L29.3Very low26.4Very low102 Ų102132.1 Ų132.153%0.53470%0.697SS.*  trans-55.3107.2174.1-72.9156.6000106.1R184 S188R184-L186 PolarHBondContact O-N 3.28Å; L186-S188 PolarHBondContact O-N 2.92Å; L186-S188 VanDerWaalsContact O-N 3.16Å
187S25Very low26.4Very low56 Ų56136.6 Ų136.639%0.39270%0.703SS.*  trans-53.8127.3171.9176.50000107.1P185 D189P185-S187 PolarHBondContact O-N 2.94Å; S187-D189 PolarHBondContact O-N 2.86Å; S187-D189 WeakPolarHBondContact OG-CB 3.5Å; S187-D189 PolarHBondContact OG-N 2.96Å; S187-D189 PolarHBondContact OG-OD2 3.22Å
188S30.6Very low26.4Very low91 Ų91129.7 Ų129.764%0.63669%0.691SS**G310 helixtrans-55.1-15.1174.942.90000113.1L186 N190 Y191L186-S188 PolarHBondContact O-N 2.92Å; L186-S188 VanDerWaalsContact O-N 3.16Å; S188-N190 VanDerWaalsContact C-N 3.25Å; S188-N190 PolarHBondContact O-N 2.92Å; S188-Y191 PolarHBondContact O-N 3.45Å
189D25.2Very low26.4Very low133 Ų133138.3 Ų138.371%0.71171%0.714SS**G310 helixtrans-69.1-17.6-172.8-58-31.1000114.3S187S187-D189 PolarHBondContact O-N 2.86Å; S187-D189 WeakPolarHBondContact OG-CB 3.5Å; S187-D189 PolarHBondContact OG-N 2.96Å; S187-D189 PolarHBondContact OG-OD2 3.22Å
190N23.6Very low26.1Very low158 Ų158141.2 Ų141.285%0.84572%0.717SS**G310 helixtrans-98-1.4178.8-79.5-11000114.3S188 L192S188-N190 VanDerWaalsContact C-N 3.25Å; S188-N190 PolarHBondContact O-N 2.92Å; N190-L192 PolarHBondContact O-N 3.31Å
191Y23.7Very low26.1Very low121 Ų121138.2 Ų138.248%0.47571%0.714SS.*SBendtrans-79.5118.6169-66.5-81.9000108.1S188 T193S188-Y191 PolarHBondContact O-N 3.45Å; Y191-T193 PolarHBondContact O-N 2.84Å
192L23.3Very low26.1Very low163 Ų163138.5 Ų138.585%0.85373%0.728SS**  trans-52.3109.6158.8-89.7146.3000106.4N190N190-L192 PolarHBondContact O-N 3.31Å
193T28.3Very low26Very low115 Ų115134.8 Ų134.871%0.70672%0.715SS**  trans-48.2126.2171.324.40000106.9Y191 T195Y191-T193 PolarHBondContact O-N 2.84Å; T193-T195 VanDerWaalsContact C-N 3.35Å; T193-T195 PolarHBondContact O-N 3.48Å
194P30.6Very low25.9Very low116 Ų116133.7 Ų133.775%0.75372%0.719SS**  trans-55.5106.5-18017.9-28000107.2K196P194-K196 PolarHBondContact O-N 3.03Å; P194-K196 VanDerWaalsContact O-N 3.1Å
195T25Very low26.1Very low109 Ų109132.3 Ų132.367%0.66972%0.724SS**  trans-62.9120.4179-40000104.1T193 Y197T193-T195 VanDerWaalsContact C-N 3.35Å; T193-T195 PolarHBondContact O-N 3.48Å; T195-Y197 VanDerWaalsContact C-N 3.27Å; T195-Y197 WeakPolarHBondContact O-CD2 3.24Å; T195-Y197 PolarHBondContact O-N 3.48Å
196K27.8Very low25.9Very low204 Ų204131.7 Ų131.789%0.88772%0.723SS**  trans-51.792.5178.6-164.3-177.5-170.1-1770107.5P194 S198P194-K196 PolarHBondContact O-N 3.03Å; P194-K196 VanDerWaalsContact O-N 3.1Å; K196-S198 VanDerWaalsContact C-N 3.29Å; K196-S198 PolarHBondContact O-N 3.16Å
197Y23.7Very low25.7Very low206 Ų206135.8 Ų135.881%0.80874%0.739SS**  trans-61.3104.3168.5-83.1-83.2000104.5T195 W199T195-Y197 VanDerWaalsContact C-N 3.27Å; T195-Y197 WeakPolarHBondContact O-CD2 3.24Å; T195-Y197 PolarHBondContact O-N 3.48Å; Y197-W199 PolarHBondContact O-N 3.11Å
198S25.5Very low25.7Very low94 Ų94138.8 Ų138.866%0.65776%0.755SS**  trans-58.4126.2171.649.30000106.6K196 N200K196-S198 VanDerWaalsContact C-N 3.29Å; K196-S198 PolarHBondContact O-N 3.16Å; S198-N200 PolarHBondContact O-N 2.82Å
199W26.7Very low25.3Very low247 Ų247143.2 Ų143.294%0.93677%0.768SS**  trans-66.981.5178.6-69.526.6000109Y197Y197-W199 PolarHBondContact O-N 3.11Å
200N22.7Very low25.4Very low148 Ų148142.9 Ų142.979%0.79177%0.771SS**  trans-93.188.4160-92.91.2000107S198S198-N200 PolarHBondContact O-N 2.82Å
201S25.6Very low25.4Very low101 Ų101142.9 Ų142.971%0.70677%0.765SS**  trans-124.491.1166.3-670000108.5S203S201-S203 PolarHBondContact O-N 2.88Å
202T26.9Very low25.5Very low152 Ų152149 Ų14993%0.93379%0.788SS**  trans-71.339.9167.637.30000112.4
203S26.1Very low25.7Very low78 Ų78147.7 Ų147.755%0.54579%0.786SS.*  trans-100.4107.5170.451.90000108.9S201 L205S201-S203 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact O-N 3.35Å
204S23.6Very low25.6Very low120 Ų120148.7 Ų148.784%0.83979%0.786SS**  trans-58.180.6168.853.40000110.6S206S204-S206 PolarHBondContact O-N 3.05Å
205L26.6Very low25.3Very low151 Ų151148.5 Ų148.579%0.79179%0.785SS**  trans-79.597.5160.9-88.9147.3000106.2S203 E207S203-L205 PolarHBondContact O-N 3.35Å; L205-E207 PolarHBondContact O-N 2.77Å
206S23.5Very low25.3Very low101 Ų101148.5 Ų148.571%0.70679%0.787SS**  trans-53.4102.2168.324.20000109.5S204 T208S204-S206 PolarHBondContact O-N 3.05Å; S206-T208 PolarHBondContact O-N 2.79Å
207E26.4Very low25.6Very low187 Ų187147.4 Ų147.487%0.87479%0.79SS**  trans-65.268167.2-70.3-178.3153.400110L205L205-E207 PolarHBondContact O-N 2.77Å
208T23.6Very low25.9Very low119 Ų119142.9 Ų142.973%0.7378%0.783SS**  trans-113.359.4169.155.60000109.6S206S206-T208 PolarHBondContact O-N 2.79Å
209M23.9Very low26.1Very low184 Ų184145.4 Ų145.491%0.90679%0.79SS**  trans-147.552.8159.1-115.6-173.4-179.400109.9H211M209-H211 PolarHBondContact O-N 3.05Å
210T27.1Very low25.9Very low126 Ų126137.5 Ų137.577%0.77378%0.777SS**  trans-65113.5160.541.30000108.3R212T210-R212 PolarHBondContact O-N 3.36Å
211H23.1Very low26.3Very low158 Ų158138 Ų13873%0.73178%0.779SS**  trans-51128.1168.2-106-105.5000109.4M209 V213 L214M209-H211 PolarHBondContact O-N 3.05Å; H211-V213 PolarHBondContact O-N 3.12Å; H211-L214 PolarHBondContact O-N 3.19Å
212R25.8Very low26.3Very low251 Ų251138.8 Ų138.895%0.94778%0.779SS**THydrogen-bonded Turntrans-61.41.4-173.9-95.7-169.5-177-177.91.9116.7T210T210-R212 PolarHBondContact O-N 3.36Å
213V28.1Very low26.3Very low134 Ų134140 Ų14081%0.81278%0.775SS**THydrogen-bonded Turntrans-129.423.4-173.3-162.20000112.3H211H211-V213 PolarHBondContact O-N 3.12Å
214L25.4Very low26.4Very low137 Ų137145.2 Ų145.272%0.71779%0.79SS**SBendtrans-119.1128169.6-70.1168.3000109.2H211H211-L214 PolarHBondContact O-N 3.19Å
215P25.1Very low26.4Very low112 Ų112145.4 Ų145.473%0.72779%0.791SS**  trans-61.5138.7176.324.1-30.4000109.6L217P215-L217 PolarHBondContact O-N 3.26Å
216P25Very low26.3Very low108 Ų108144.8 Ų144.870%0.70179%0.788SS**  trans-59.5136-178.521.2-30.5000111.2T218P216-T218 PolarHBondContact O-N 3.36Å
217L34Very low26.5Very low181 Ų181149.5 Ų149.595%0.94880%0.798SS**  trans-71.155.2172.3-72153000110.7P215P215-L217 PolarHBondContact O-N 3.26Å
218T28.9Very low26.4Very low111 Ų111146.5 Ų146.568%0.68179%0.788SS**  trans-93108.1160.9440000106.8P216 A220P216-T218 PolarHBondContact O-N 3.36Å; T218-A220 PolarHBondContact O-N 3.48Å
219N29.2Very low26.5Very low147 Ų147146.6 Ų146.679%0.78679%0.794SS**  trans-58.284.5166.5-80-22.3000108.9L221N219-L221 PolarHBondContact O-N 2.9Å
220A24Very low26.8Very low81 Ų81143.9 Ų143.967%0.66979%0.787SS**  trans-7663.1162.200000108.2T218 T222T218-A220 PolarHBondContact O-N 3.48Å; A220-T222 PolarHBondContact O-N 3.16Å
221L29.8Very low26.7Very low159 Ų159144.3 Ų144.383%0.83279%0.785SS**  trans-78.755.9159-96.9141.5000108N219N219-L221 PolarHBondContact O-N 2.9Å
222T26.7Very low26.8Very low117 Ų117143.1 Ų143.172%0.71878%0.784SS**  trans-129.983161.6250000105A220A220-T222 PolarHBondContact O-N 3.16Å
223E26.1Very low26.9Very low179 Ų179137.4 Ų137.484%0.83677%0.768SS**SBendtrans-169.5109.2141.9-104165.4-156.300109.3C225E223-C225 PolarHBondContact O-N 2.61Å
224Q28.6Very low26.8Very low186 Ų186138 Ų13887%0.86977%0.766SS**  trans7.3110.5145.5-67.6170.5-34.600115.6
225C24.2Very low26.9Very low125 Ų125135.9 Ų135.985%0.84576%0.759SS**  trans-154.7104.1146.3-101.20000110.8E223E223-C225 PolarHBondContact O-N 2.61Å
226N23.3Very low27Very low138 Ų138139.9 Ų139.974%0.73877%0.766SS**  trans50.2119.2150.2-95.8-30.9000119.5N228N226-N228 PolarHBondContact O-N 3.15Å
227H29.3Very low27Very low200 Ų200145.4 Ų145.493%0.92677%0.772SS**  trans-57.472.2146.3-83-66.3000110.5
228N24.1Very low26.6Very low123 Ų123146.6 Ų146.666%0.65877%0.766SS**  trans-97.3127.9148.8-78.8-23.2000106N226 V230N226-N228 PolarHBondContact O-N 3.15Å; N228-V230 VanDerWaalsContact C-N 3.27Å; N228-V230 PolarHBondContact O-N 3.36Å
229S26Very low26.7Very low122 Ų122151.2 Ų151.285%0.85378%0.777SS**  trans-57.590.5173.757.40000109.4N231S229-N231 VanDerWaalsContact C-N 3.33Å; S229-N231 PolarHBondContact O-N 3.09Å
230V29Very low26.6Very low126 Ų126147.9 Ų147.976%0.76478%0.777SS**  trans-68.3104.3161.4-178.50000104.9N228 N232N228-V230 VanDerWaalsContact C-N 3.27Å; N228-V230 PolarHBondContact O-N 3.36Å; V230-N232 VanDerWaalsContact C-N 3.29Å; V230-N232 PolarHBondContact O-N 3.38Å
231N25.1Very low26.5Very low135 Ų135150.4 Ų150.472%0.72278%0.784SS**  trans-44.797.7164-115.9-28.2000108S229 H233S229-N231 VanDerWaalsContact C-N 3.33Å; S229-N231 PolarHBondContact O-N 3.09Å; N231-H233 PolarHBondContact O-N 3.09Å
232N25.5Very low26.3Very low134 Ų134148.1 Ų148.172%0.71778%0.782SS**  trans-75.678.2-178.5-148.5-4.2000107.3V230 N234V230-N232 VanDerWaalsContact C-N 3.29Å; V230-N232 PolarHBondContact O-N 3.38Å; N232-N234 VanDerWaalsContact C-N 3.29Å
233H28.5Very low26.2Very low130 Ų130147.6 Ų147.660%0.60278%0.782SS**  trans-10444.3162-74.367.9000109.3N231 T235N231-H233 PolarHBondContact O-N 3.09Å; H233-T235 PolarHBondContact O-N 2.79Å
234N26.1Very low26.1Very low147 Ų147145 Ų14579%0.78678%0.782SS**  trans-72.834.2153.9-126.38.2000110.3N232 F236N232-N234 VanDerWaalsContact C-N 3.29Å; N234-F236 PolarHBondContact O-N 3.04Å
235T26.6Very low26.2Very low93 Ų93142.8 Ų142.857%0.57177%0.774SS**  trans-63.4109.5166.521.40000106H233 R237H233-T235 PolarHBondContact O-N 2.79Å; T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact O-N 3.04Å
236F27.8Very low26.3Very low196 Ų196144.2 Ų144.286%0.8677%0.772SS**  trans-25.597.5155.1-82.2-102.4000109.3N234 Y238N234-F236 PolarHBondContact O-N 3.04Å; F236-Y238 PolarHBondContact O-N 3.47Å
237R24.7Very low26.5Very low223 Ų223144.1 Ų144.184%0.84277%0.771SS**  trans-69.787.7173.1-69-169.1-174.6-155.53.3105.4T235 F239T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact O-N 3.04Å; R237-F239 PolarHBondContact O-N 3.02Å; R237-F239 VanDerWaalsContact O-N 3.12Å
238Y25.8Very low26.4Very low207 Ų207141.6 Ų141.681%0.81277%0.765SS**  trans-50.1121.4150.1-105.5-93.2000105.5F236 G240F236-Y238 PolarHBondContact O-N 3.47Å; Y238-G240 PolarHBondContact O-N 2.83Å
239F29.3Very low26.6Very low207 Ų207142.3 Ų142.391%0.90877%0.768SS**THydrogen-bonded Turntrans-29.7118.3-178.4-65.2-93.4000113.2R237R237-F239 PolarHBondContact O-N 3.02Å; R237-F239 VanDerWaalsContact O-N 3.12Å
240G27Very low26.7Very low77 Ų77142 Ų14279%0.79477%0.766SS**THydrogen-bonded Turntrans100.815.3142.400000120.9Y238Y238-G240 PolarHBondContact O-N 2.83Å
241V23.1Very low26.6Very low134 Ų134141.3 Ų141.381%0.81276%0.764SS**  trans-127.1109.3168.9-100.70000112.2
242S24.9Very low26.7Very low112 Ų112140.5 Ų140.578%0.78377%0.769SS**  trans-94111.5172.4-54.30000108.8
243S25.2Very low26.7Very low105 Ų105137.3 Ų137.373%0.73477%0.768SS**  trans-96.9135.9169-62.50000110.2
244P24.9Very low26.5Very low126 Ų126142.2 Ų142.282%0.81878%0.783SS**  trans-82.2124-17930.7-30.3000110.7
245I30.2Very low26.4Very low139 Ų139142.3 Ų142.371%0.71378%0.783SS**  trans-115.7122.6168-58.1177.3000107.9N247I245-N247 PolarHBondContact O-N 3.19Å
246I25.4Very low26.4Very low155 Ų155142.1 Ų142.180%0.79579%0.786SS**  trans-65117.6179.8-65.4157.6000108.3D248I246-D248 PolarHBondContact O-N 2.82Å; I246-D248 VanDerWaalsContact O-N 3.08Å
247N27.9Very low26.3Very low135 Ų135137.9 Ų137.972%0.72278%0.781SS**  trans-74.193.7174.5-86.1-0.3000109.8I245 N249I245-N247 PolarHBondContact O-N 3.19Å; N247-N249 PolarHBondContact O-N 2.76Å
248D27.6Very low26.6Very low148 Ų148135.1 Ų135.179%0.79178%0.782SS**  trans-86.287.2159.5-131.2-22000107.6I246 S250I246-D248 PolarHBondContact O-N 2.82Å; I246-D248 VanDerWaalsContact O-N 3.08Å; D248-S250 PolarHBondContact O-N 2.74Å
249N28.8Very low26.8Very low137 Ų137129.2 Ų129.273%0.73378%0.784SS**  trans-71.498.9-179.1-87.5-6.9000110.3N247N247-N249 PolarHBondContact O-N 2.76Å
250S26.7Very low26.9Very low116 Ų116124.7 Ų124.781%0.81178%0.779SS**  trans-66.2133.3164.9-56.50000111D248D248-S250 PolarHBondContact O-N 2.74Å
251P26.9Very low27.1Very low112 Ų112126.8 Ų126.873%0.72778%0.781SS**  trans-101128.5164.333.1-24.3000111.5
252S27.1Very low27.5Very low118 Ų118125.6 Ų125.683%0.82578%0.779SS**  trans50.1128139.163.20000120.7
253G25.7Very low28.2Very low67 Ų67126.2 Ų126.269%0.69178%0.78SS**  trans162.699.515300000116.5
254Y24Very low28.7Very low232 Ų232126.9 Ų126.991%0.9179%0.785SS**  trans3.4141.6144.4-55.4-89.6000120.7
255D25.2Very low29.3Very low149 Ų149127.4 Ų127.480%0.79779%0.785SS**  131136.4124.1-144.4-13.7000116.2
256S26.3Very low29.7Very low89 Ų89128.2 Ų128.262%0.62279%0.791SS**  trans81.9110.4149.9-69.20000121.4
257S26.5Very low30.1Very low108 Ų108126.3 Ų126.376%0.75578%0.782SS**  trans47.894.2130.3-44.10000117.2
258N29.8Very low30.7Very low164 Ų164128 Ų12888%0.87779%0.79SS**  trans-160118139.4-105.3-9.6000111.4S260N258-S260 PolarHBondContact O-N 3.01Å
259G29.5Very low31.3Very low83 Ų83126.8 Ų126.886%0.85679%0.788SS**  trans-61130168.500000110.2
260S32.3Very low31.5Very low112 Ų112123.2 Ų123.278%0.78378%0.783SS**  trans-143125.6153.1560000107.7N258 S262N258-S260 PolarHBondContact O-N 3.01Å; S260-S262 PolarHBondContact O-N 3.45Å
261S31.2Very low31.9Very low121 Ų121123.9 Ų123.985%0.84678%0.778SS**PPolyproline II helixtrans-50.9133.1-176.5-45.90000110.8
262S31.3Very low32.7Very low110 Ų110125.7 Ų125.777%0.76979%0.787SS**PPolyproline II helixtrans-51.4133.2178.3-48.20000110.8S260 S264S260-S262 PolarHBondContact O-N 3.45Å; S262-S264 PolarHBondContact O-N 3.22Å
263P39.2Very low33.2Very low124 Ų124129.5 Ų129.581%0.80578%0.783SS**PPolyproline II helixtrans-63.5126.9-179.925-31.7000109.5V265P263-V265 PolarHBondContact O-N 3.49Å
264S37.4Very low33.7Very low120 Ų120132.4 Ų132.484%0.83979%0.787SS**PPolyproline II helixtrans-51.3125174.6-64.10000110S262 L266S262-S264 PolarHBondContact O-N 3.22Å; S264-L266 PolarHBondContact O-N 2.68Å
265V37.2Very low34.5Very low136 Ų136127.6 Ų127.682%0.82478%0.782SS**PPolyproline II helixtrans-49.1119.5177.2-176.30000108.9P263 D267P263-V265 PolarHBondContact O-N 3.49Å; V265-D267 PolarHBondContact O-N 3.29Å
266L37.1Very low35Very low157 Ų157126.6 Ų126.682%0.82278%0.776SS**  trans-59.3106.6166.9-106135000107.5S264 L268S264-L266 PolarHBondContact O-N 2.68Å; L266-L268 PolarHBondContact O-N 3Å
267D34Very low35.5Very low114 Ų114131.5 Ų131.561%0.6179%0.787SS**  trans-67.8100.8174.3-173.80.4000109.1V265 T269 G270V265-D267 PolarHBondContact O-N 3.29Å; D267-T269 PolarHBondContact O-N 3.17Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD1-CB 3.4Å; D267-T269 PolarHBondContact OD1-N 3.23Å; D267-T269 VanDerWaalsContact OD1-N 3.09Å; D267-T269 PolarHBondContact OD1-OG1 3.08Å; D267-T269 PolarHBondContact OD2-OG1 3.37Å; D267-G270 PolarHBondContact O-N 2.65Å
268L41.2Very low36.1Very low172 Ų172129.6 Ų129.690%0.90177%0.77SS**THydrogen-bonded Turntrans-69.35.3178.2-80.2142.8000113.3L266L266-L268 PolarHBondContact O-N 3Å
269T41Very low36.6Very low122 Ų122124.8 Ų124.875%0.74875%0.75SS**THydrogen-bonded Turntrans-87.2-6172650000113.8D267 D271D267-T269 PolarHBondContact O-N 3.17Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD1-CB 3.4Å; D267-T269 PolarHBondContact OD1-N 3.23Å; D267-T269 VanDerWaalsContact OD1-N 3.09Å; D267-T269 PolarHBondContact OD1-OG1 3.08Å; D267-T269 PolarHBondContact OD2-OG1 3.37Å; T269-D271 PolarHBondContact O-N 3.25Å
270G32.3Very low37.3Very low61 Ų61129.2 Ų129.263%0.62975%0.748SS**SBendtrans-80108.3-179.700000114.7D267D267-G270 PolarHBondContact O-N 2.65Å
271D35.6Very low37.5Very low131 Ų131128.1 Ų128.170%0.70173%0.733SS**  trans-3.1121164.2-142.3-13.9000118.1T269 R273T269-D271 PolarHBondContact O-N 3.25Å; D271-R273 PolarHBondContact O-N 3.48Å
272V42.2Very low37.8Very low150 Ų150128.4 Ų128.491%0.90972%0.721SS**SBendtrans-74.256.7-175.4-170.20000111.9
273R37.9Very low38.2Very low198 Ų198124.4 Ų124.475%0.74769%0.692SS**  trans-123.1129.3173.2-61.1-172.7-177.7-155.8-0.5108.4D271D271-R273 PolarHBondContact O-N 3.48Å
274T36.1Very low38.6Very low128 Ų128123.7 Ų123.779%0.78569%0.688SS**  trans82.883.7171.360.30000117.8
275V42.2Very low39Very low131 Ų131125.9 Ų125.979%0.79469%0.689SS**  trans-113.198.2142.3-158.10000106.3
276N34.4Very low39Very low127 Ų127129.1 Ų129.168%0.67969%0.687SS**  trans-74.4123178-93-10.5000109.6
277F37.4Very low39.7Very low193 Ų193132 Ų13285%0.84671%0.711SS**  trans-78.6130.1176.4-72.1-88.3000110.9S279F277-S279 PolarHBondContact O-N 3.16Å
278V39.3Very low40Very low67 Ų67132.9 Ų132.941%0.40672%0.716SS.*  trans-82.6112.2172.9-1630000108.3L13 A14 H280L13-V278 HydrophobicContact CD2-CB 3.95Å; L13-V278 HydrophobicContact CD2-CG1 3.67Å; L13-V278 HydrophobicContact CD2-CG2 3.17Å; L13-V278 HydrophobicContact CG-CG2 4.41Å; A14-V278 HydrophobicContact CB-CG1 4.35Å; V278-H280 PolarHBondContact O-N 3.04Å
279S38.9Very low40Very low63 Ų63130.8 Ų130.844%0.44171%0.706SS.*  trans-70.9106.3177.719.60000110.7S15 F277 D281S15-S279 WeakPolarHBondContact CB-O 3.34Å; S15-S279 VanDerWaalsContact OG-CB 3.24Å; S15-S279 WeakPolarHBondContact OG-CB 3.06Å; S15-S279 PolarHBondContact OG-O 2.82Å; S15-S279 PolarHBondContact OG-OG 2.79Å; F277-S279 PolarHBondContact O-N 3.16Å; S279-D281 PolarHBondContact O-N 2.74Å
280H44.3Very low39.9Very low177 Ų177131.3 Ų131.382%0.81970%0.704SS**  trans-81.761.2174.1-77.3-49000111.9V278 Q282V278-H280 PolarHBondContact O-N 3.04Å; H280-Q282 VanDerWaalsContact C-N 3.33Å; H280-Q282 PolarHBondContact O-N 2.75Å
281D36.1Very low40.3Very low89 Ų89135.5 Ų135.548%0.47671%0.709SS.*  trans-79.589.7157.6-101-6.5000104G16 L17 S279G16-D281 CarbonylContact C-O 3.59Å; G16-D281 WeakPolarHBondContact CA-O 3.48Å; G16-D281 PolarHBondContact N-O 3.43Å; G16-D281 VanDerWaalsContact N-O 3.16Å; L17-D281 WeakPolarHBondContact CA-O 3.41Å; L17-D281 HydrophobicContact CD1-CB 3.33Å; L17-D281 WeakPolarHBondContact CD1-OD1 3.19Å; L17-D281 HydrophobicContact CD2-CB 3.73Å; L17-D281 WeakPolarHBondContact CD2-OD1 3.3Å; L17-D281 HydrophobicContact CG-CB 3.26Å; L17-D281 WeakPolarHBondContact CG-O 3.34Å; L17-D281 PolarHBondContact N-O 3.14Å; S279-D281 PolarHBondContact O-N 2.74Å
282Q38.5Very low40.6Very low126 Ų126135.8 Ų135.859%0.58971%0.709SS**  trans-156.4112.3146.3-168.9147.236.900119.9G16 L17 S18 H280G16-Q282 WeakPolarHBondContact O-CG 3.43Å; G16-Q282 PolarHBondContact O-NE2 3.08Å; G16-Q282 PolarHBondContact O-OE1 3.33Å; L17-Q282 VanDerWaalsContact CD2-N 3.35Å; S18-Q282 WeakPolarHBondContact OG-CG 3.12Å; S18-Q282 PolarHBondContact OG-NE2 2.67Å; S18-Q282 VanDerWaalsContact OG-NE2 3.14Å; H280-Q282 VanDerWaalsContact C-N 3.33Å; H280-Q282 PolarHBondContact O-N 2.75Å
283P39.7Very low40.5Very low26 Ų26134.8 Ų134.817%0.16970%0.696CS.*  trans-83.4167178.41.919.7000116.1L17 S18 D19L17-P283 VanDerWaalsContact CB-CD 3.48Å; L17-P283 HydrophobicContact CB-CG 4.22Å; L17-P283 HydrophobicContact CD2-CG 3.58Å; L17-P283 HydrophobicContact CG-CG 4.43Å; S18-P283 CarbonylContact O-C 3.57Å; S18-P283 WeakPolarHBondContact O-CA 3.18Å; S18-P283 WeakPolarHBondContact O-CB 3.49Å; S18-P283 WeakPolarHBondContact O-CD 3.45Å; S18-P283 VanDerWaalsContact O-CG 3.3Å; S18-P283 WeakPolarHBondContact O-CG 3.15Å; S18-P283 PolarHBondContact OG-O 3.15Å; D19-P283 VanDerWaalsContact N-CG 3.35Å
284P47.5Very low40.7Very low109 Ų109130.3 Ų130.371%0.70869%0.692SS**  trans-105.6140.9-166.25.418000115.1
285L46.9Very low41.1Very low166 Ų166130.5 Ų130.587%0.86969%0.685SS**  trans-68.9134.6179.1-86.7143.5000114.4
286R36.4Very low41Very low204 Ų204130.4 Ų130.477%0.7768%0.676SS**  trans-63.8143172.4-75.4172156.1179.9-6.5113.8
287T52.3Low41.6Very low218 Ų218130.7 Ų130.7100%1.33768%0.675SS**  trans-153.40132.445.30000109.5

Retrieved 287 of 287 residues in 182.5 ms (Link to these results)