A0A093HUB6_STRCA Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A093HUB6, Species STRCA (Struthio camelus australis), Gene n/a, Length 419 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
1M47.3Very low74.5Confident244 Ų244130.5 Ų130.5100%1.20267%0.668SS**  0104.40-68.2168.383.700107.6C3M1-C3 PolarHBondContact O-N 2.99Å
2Q52.4Low75.4Confident202 Ų202123.8 Ų123.894%0.94465%0.647SS**  trans-77.7114.8177.5-77.4175.3-21.900108.4S4Q2-S4 PolarHBondContact O-N 3.32Å; Q2-S4 VanDerWaalsContact O-N 3.14Å
3C58.9Low76.4Confident106 Ų106122 Ų12272%0.71664%0.638SS**  trans-67.9109.9173.9-125.40000108M1M1-C3 PolarHBondContact O-N 2.99Å
4S81.2Confident77Confident70 Ų70116.7 Ų116.749%0.4962%0.621SS.*  trans-61.5136.5177.8179.80000109.8Q2 K6 A7 V8Q2-S4 PolarHBondContact O-N 3.32Å; Q2-S4 VanDerWaalsContact O-N 3.14Å; S4-K6 PolarHBondContact O-N 2.97Å; S4-A7 WeakPolarHBondContact O-CA 3.31Å; S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.04Å; S4-V8 PolarHBondContact O-N 3.41Å
5W79.9Confident77.5Confident204 Ų204112.6 Ų112.677%0.77361%0.605SS**Hα-helixtrans-49.9-30.1175.6179.2-88.4000112.9A7 V8 L9W5-A7 VanDerWaalsContact C-N 3.33Å; W5-A7 PolarHBondContact O-N 3.43Å; W5-V8 PolarHBondContact O-N 3.46Å; W5-L9 PolarHBondContact O-N 2.96Å
6K80.9Confident78.2Confident161 Ų161112.3 Ų112.370%0.760%0.601SS**Hα-helixtrans-62.4-36174.5-64.1-175.2178.5-177.30112.9S4 L10S4-K6 PolarHBondContact O-N 2.97Å; K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.45Å
7A80.1Confident78.6Confident38 Ų38108.9 Ų108.931%0.31459%0.593SS.*Hα-helixtrans-71.8-38.2177.100000111.9S4 W5 L10 L11S4-A7 WeakPolarHBondContact O-CA 3.31Å; S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.04Å; W5-A7 VanDerWaalsContact C-N 3.33Å; W5-A7 PolarHBondContact O-N 3.43Å; A7-L10 PolarHBondContact O-N 2.81Å; A7-L11 WeakPolarHBondContact O-CG 3.33Å; A7-L11 PolarHBondContact O-N 3.14Å
8V81.4Confident78.9Confident78 Ų78109.2 Ų109.247%0.47359%0.592SS.*Hα-helixtrans-64.9-42.6174.9-1800000110.6S4 W5 L11 A12S4-V8 PolarHBondContact O-N 3.41Å; W5-V8 PolarHBondContact O-N 3.46Å; V8-L11 PolarHBondContact O-N 3.37Å; V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 2.98Å
9L86.4Confident79.1Confident89 Ų89109.4 Ų109.447%0.46659%0.589SS.*Hα-helixtrans-64.1-41.5177.4-148.5100.8000111.9W5 A12 L13W5-L9 PolarHBondContact O-N 2.96Å; L9-A12 PolarHBondContact O-N 3.35Å; L9-L13 HydrophobicContact CD2-CD1 4.21Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.41Å
10L86Confident79.3Confident119 Ų119111.7 Ų111.762%0.62359%0.59SS**Hα-helixtrans-63.8-41.4176-80.1165.9000112.3K6 A7 L13 A14K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 WeakPolarHBondContact O-CG 3.46Å; K6-L10 PolarHBondContact O-N 3.45Å; A7-L10 PolarHBondContact O-N 2.81Å; L10-L13 PolarHBondContact O-N 2.81Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3Å
11L84.9Confident79.1Confident124 Ų124110.1 Ų110.165%0.64959%0.585SS**Hα-helixtrans-66.6-38.7176.4-73.2168.8000112.1A7 V8 A14 S15A7-L11 WeakPolarHBondContact O-CG 3.33Å; A7-L11 PolarHBondContact O-N 3.14Å; V8-L11 PolarHBondContact O-N 3.37Å; L11-A14 PolarHBondContact O-N 3.36Å; L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 2.88Å
12A84.9Confident80.2Confident50 Ų50100.6 Ų100.641%0.41355%0.545SS..Hα-helixtrans-64.9-44.9175.700000111.7V8 L9 S15 I16V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 2.98Å; L9-A12 PolarHBondContact O-N 3.35Å; A12-S15 PolarHBondContact O-N 3.49Å; A12-I16 WeakPolarHBondContact O-CG1 3.46Å; A12-I16 PolarHBondContact O-N 3Å
13L88.3Confident81.2Confident101 Ų10196.2 Ų96.253%0.52953%0.527SS..Hα-helixtrans-65.3-40.2177.3-70.6171.2000112L9 L10 S15 I16 A17L9-L13 HydrophobicContact CD2-CD1 4.21Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.81Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-I16 PolarHBondContact O-N 3.36Å; L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.35Å
14A85.1Confident81.7Confident48 Ų4899.1 Ų99.140%0.39752%0.523SS..Hα-helixtrans-63.2-40.6174.100000111.8L10 L11 A17 I18L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 3Å; L11-A14 PolarHBondContact O-N 3.36Å; A14-A17 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.34Å; A14-I18 PolarHBondContact O-N 3.49Å
15S85.6Confident80.9Confident55 Ų5599.7 Ų99.739%0.38552%0.524SS..Hα-helixtrans-63.4-44.2177.1-174.80000112.1L11 A12 L13 A17 I18 Q19L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 2.88Å; A12-S15 PolarHBondContact O-N 3.49Å; L13-S15 VanDerWaalsContact C-N 3.35Å; S15-A17 PolarHBondContact O-N 3Å; S15-I18 PolarHBondContact O-N 3.5Å; S15-Q19 WeakPolarHBondContact O-CB 3.32Å; S15-Q19 VanDerWaalsContact O-CG 3.32Å; S15-Q19 WeakPolarHBondContact O-CG 3.45Å; S15-Q19 PolarHBondContact O-N 3.38Å
16I88.1Confident79.7Confident107 Ų10797.8 Ų97.855%0.54952%0.521SS..Hα-helixtrans-64-42.3177.1-67.1166.4000110.6A12 L13 I18 Q19 Y20A12-I16 WeakPolarHBondContact O-CG1 3.46Å; A12-I16 PolarHBondContact O-N 3Å; L13-I16 PolarHBondContact O-N 3.36Å; I16-I18 PolarHBondContact O-N 3.48Å; I16-Q19 PolarHBondContact O-N 2.92Å; I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 PolarHBondContact O-N 3.11Å
17A85.1Confident78.5Confident55 Ų5595.1 Ų95.146%0.45552%0.519SS..Hα-helixtrans-61.3-44.3177.400000111.8L13 A14 S15 Y20 T21L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.35Å; A14-A17 PolarHBondContact O-N 3.43Å; S15-A17 PolarHBondContact O-N 3Å; A17-Y20 PolarHBondContact O-N 3.27Å; A17-T21 PolarHBondContact O-N 2.93Å; A17-T21 PolarHBondContact O-OG1 2.93Å
18I84.4Confident77.1Confident114 Ų11497.1 Ų97.159%0.58554%0.535SS*.Hα-helixtrans-65-43.1177.4-67.6164.6000111.4A14 S15 I16 Y20 T21 A22A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.34Å; A14-I18 PolarHBondContact O-N 3.49Å; S15-I18 PolarHBondContact O-N 3.5Å; I16-I18 PolarHBondContact O-N 3.48Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.3Å; I18-T21 WeakPolarHBondContact CA-OG1 3.38Å; I18-T21 PolarHBondContact O-N 3.43Å; I18-T21 PolarHBondContact O-OG1 3.4Å; I18-A22 WeakPolarHBondContact O-CB 3.37Å; I18-A22 PolarHBondContact O-N 3.47Å
19Q81.3Confident75.1Confident113 Ų113100.4 Ų100.453%0.52854%0.543SS..Hα-helixtrans-63.5-40.6176.7-74.1177.3-1.500111.3S15 I16 A22 I23S15-Q19 WeakPolarHBondContact O-CB 3.32Å; S15-Q19 VanDerWaalsContact O-CG 3.32Å; S15-Q19 WeakPolarHBondContact O-CG 3.45Å; S15-Q19 PolarHBondContact O-N 3.38Å; I16-Q19 PolarHBondContact O-N 2.92Å; Q19-A22 PolarHBondContact O-N 2.99Å; Q19-I23 WeakPolarHBondContact O-CB 3.45Å; Q19-I23 WeakPolarHBondContact O-CD1 3.13Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 3.05Å
20Y84.1Confident72.8Confident155 Ų155100.7 Ų100.761%0.60855%0.552SS**Hα-helixtrans-64.6-45.3176.8-177.7-98.3000112.2I16 A17 I18 A22 I23 R24I16-Y20 WeakPolarHBondContact O-CB 3.32Å; I16-Y20 PolarHBondContact O-N 3.11Å; A17-Y20 PolarHBondContact O-N 3.27Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.3Å; Y20-A22 PolarHBondContact O-N 2.96Å; Y20-I23 PolarHBondContact O-N 3.45Å; Y20-R24 WeakPolarHBondContact O-CB 3.42Å; Y20-R24 PolarHBondContact O-N 3.37Å
21T75.8Confident70.5Confident80 Ų80103.5 Ų103.549%0.49156%0.56SS.*Hα-helixtrans-64.8-38.317522.60000112.4A17 I18 R24 T25A17-T21 PolarHBondContact O-N 2.93Å; A17-T21 PolarHBondContact O-OG1 2.93Å; I18-T21 WeakPolarHBondContact CA-OG1 3.38Å; I18-T21 PolarHBondContact O-N 3.43Å; I18-T21 PolarHBondContact O-OG1 3.4Å; T21-R24 PolarHBondContact O-N 3.36Å; T21-T25 WeakPolarHBondContact O-CB 3.33Å; T21-T25 PolarHBondContact O-N 2.91Å; T21-T25 PolarHBondContact O-OG1 3.23Å
22A70.4Confident68.2Low44 Ų44105.8 Ų105.836%0.36457%0.567SS.*Hα-helixtrans-62.3-51.2175.600000111.3I18 Q19 Y20 R24 T25 F26I18-A22 WeakPolarHBondContact O-CB 3.37Å; I18-A22 PolarHBondContact O-N 3.47Å; Q19-A22 PolarHBondContact O-N 2.99Å; Y20-A22 PolarHBondContact O-N 2.96Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 3Å; A22-T25 PolarHBondContact O-N 2.89Å; A22-T25 VanDerWaalsContact O-N 3.11Å; A22-F26 VanDerWaalsContact O-CD2 3.25Å; A22-F26 WeakPolarHBondContact O-CD2 3.33Å; A22-F26 PolarHBondContact O-N 2.95Å
23I72.7Confident65.6Low110 Ų110108.8 Ų108.856%0.56458%0.584SS**Hα-helixtrans-60.1-41.8178.5-67.5165.1000110.8Q19 Y20 T25 F26 T27Q19-I23 WeakPolarHBondContact O-CB 3.45Å; Q19-I23 WeakPolarHBondContact O-CD1 3.13Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 3.05Å; Y20-I23 PolarHBondContact O-N 3.45Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.3Å; I23-F26 PolarHBondContact O-N 3.22Å; I23-T27 HydrophobicContact CG2-CG2 4.48Å; I23-T27 WeakPolarHBondContact O-CB 3.49Å; I23-T27 WeakPolarHBondContact O-CG2 3.16Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 PolarHBondContact O-OG1 3.5Å
24R69.6Low62.8Low166 Ų166109.4 Ų109.463%0.62660%0.596SS**Hα-helixtrans-65.7-35.3177.2-154.1-172.9-174.8-147.62112.4Y20 T21 A22 T27 A28Y20-R24 WeakPolarHBondContact O-CB 3.42Å; Y20-R24 PolarHBondContact O-N 3.37Å; T21-R24 PolarHBondContact O-N 3.36Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 3Å; R24-T27 WeakPolarHBondContact CA-OG1 3.44Å; R24-T27 PolarHBondContact O-OG1 3.37Å; R24-A28 WeakPolarHBondContact O-CB 3.38Å; R24-A28 PolarHBondContact O-N 2.64Å
25T64.3Low60.3Low83 Ų83113.1 Ų113.151%0.50962%0.616SS.*Hα-helixtrans-70.9-34.8177.9-53.20000111.8T21 A22 I23T21-T25 WeakPolarHBondContact O-CB 3.33Å; T21-T25 PolarHBondContact O-N 2.91Å; T21-T25 PolarHBondContact O-OG1 3.23Å; A22-T25 PolarHBondContact O-N 2.89Å; A22-T25 VanDerWaalsContact O-N 3.11Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 3.3Å
26F54.6Low57.8Low163 Ų163117.9 Ų117.972%0.71564%0.636SS**Hα-helixtrans-75.8-31.1175.2-82.9-73.8000113.4A22 I23A22-F26 VanDerWaalsContact O-CD2 3.25Å; A22-F26 WeakPolarHBondContact O-CD2 3.33Å; A22-F26 PolarHBondContact O-N 2.95Å; I23-F26 PolarHBondContact O-N 3.22Å
27T56.5Low55.1Low106 Ų106117.3 Ų117.365%0.6565%0.647SS**Hα-helixtrans-84.4-22.7179.146.70000113.6I23 R24I23-T27 HydrophobicContact CG2-CG2 4.48Å; I23-T27 WeakPolarHBondContact O-CB 3.49Å; I23-T27 WeakPolarHBondContact O-CG2 3.16Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 PolarHBondContact O-OG1 3.5Å; R24-T27 WeakPolarHBondContact CA-OG1 3.44Å; R24-T27 PolarHBondContact O-OG1 3.37Å
28A49.1Very low52.5Low79 Ų79121.6 Ų121.665%0.65366%0.662SS**SBendtrans-84.4-7.5178.700000114.7R24R24-A28 WeakPolarHBondContact O-CB 3.38Å; R24-A28 PolarHBondContact O-N 2.64Å
29K40.5Very low50.3Low147 Ų147122 Ų12264%0.63967%0.672SS**  trans-109.291.4176-72-171.9177.8-177.80110.5F31K29-F31 PolarHBondContact O-N 3.41Å
30S38.1Very low48Very low95 Ų95122.4 Ų122.466%0.66468%0.682SS**  trans-62.8110.7156.1530000108H32S30-H32 PolarHBondContact O-N 3.08Å
31F38Very low45.4Very low179 Ų179122.3 Ų122.379%0.78569%0.692SS**  trans-62.3102.6172-75.4-89.7000108.8K29 S33K29-F31 PolarHBondContact O-N 3.41Å; F31-S33 PolarHBondContact O-N 3.49Å
32H34.8Very low43Very low172 Ų172125.1 Ų125.180%0.79671%0.714SS**  trans-74105.2160-87.334.9000107.3S30 C34S30-H32 PolarHBondContact O-N 3.08Å; H32-C34 PolarHBondContact O-N 3.41Å
33S31.9Very low41Very low112 Ų112128.6 Ų128.678%0.78374%0.735SS**PPolyproline II helixtrans-62.9118.6169-48.30000108.8F31F31-S33 PolarHBondContact O-N 3.49Å
34C29.5Very low39Very low114 Ų114131.5 Ų131.577%0.7775%0.751SS**PPolyproline II helixtrans-60.3136.4168.5-72.20000109.9H32 I36H32-C34 PolarHBondContact O-N 3.41Å; C34-I36 PolarHBondContact O-N 2.96Å
35P33Very low37.2Very low127 Ų127129.2 Ų129.283%0.82576%0.761SS**PPolyproline II helixtrans-73.4124.6169.929.8-30.7000109.2A37P35-A37 PolarHBondContact O-N 2.75Å
36I33Very low35.9Very low155 Ų155130.5 Ų130.580%0.79577%0.77SS**PPolyproline II helixtrans-71.3119.5167.3-64.2169.6000107C34 N38C34-I36 PolarHBondContact O-N 2.96Å; I36-N38 PolarHBondContact O-N 3.02Å
37A29.7Very low34.6Very low95 Ų95130.9 Ų130.979%0.78578%0.779SS**  trans-72.8115170.900000109.6P35P35-A37 PolarHBondContact O-N 2.75Å
38N30.4Very low33.5Very low145 Ų145129.9 Ų129.978%0.77578%0.782SS**  trans-87.9135.5161.9-94.8-11.8000109.1I36 V40I36-N38 PolarHBondContact O-N 3.02Å; N38-V40 PolarHBondContact O-N 2.87Å
39P38.5Very low32.7Very low122 Ų122133.7 Ų133.779%0.79279%0.792SS**  trans-91.192.4-176.334.7-29.2000110
40V33.5Very low32.4Very low121 Ų121131.7 Ų131.773%0.73380%0.803SS**  trans-143.9117.7162.2-172.50000109.4N38N38-V40 PolarHBondContact O-N 2.87Å
41N29.1Very low32.1Very low154 Ų154131.9 Ų131.982%0.82481%0.81SS**  trans65.393.4167.2-72.4-1.5000119.1
42C25.5Very low32Very low139 Ų139131 Ų13194%0.93981%0.813SS**  trans-82.5116.4152.2-69.80000109.9
43S29.6Very low32.1Very low116 Ų116133.4 Ų133.481%0.81182%0.815SS**  trans-133.8121.115150.30000109.4
44L30.9Very low32Very low172 Ų172135.9 Ų135.990%0.90182%0.819SS**  trans-75.3133.3176.3-79.1145000110.4
45S29.8Very low32.3Very low118 Ų118136.9 Ų136.983%0.82583%0.826SS**  -170149.1127.8-77.30000110.6
46P37.5Very low32.5Very low109 Ų109137.6 Ų137.671%0.70882%0.823SS**  trans-94.2147.3-168.236.6-29.2000111
47D28.6Very low32.5Very low171 Ų171138.6 Ų138.691%0.91482%0.824SS**  trans-163.6129.6139.8-91.2-30.4000109.7
48A33.3Very low32.6Very low85 Ų85139.6 Ų139.670%0.70283%0.825SS**  trans-83.6163.4176.900000110.5
49D31.9Very low32.9Very low160 Ų160138.2 Ų138.286%0.85682%0.824SS**  trans79.590.3166.9-56.3-27.1000117.5
50A33.2Very low32.8Very low105 Ų105138.5 Ų138.587%0.86882%0.824SS**  16396.2126.600000110.8
51A31.7Very low33.1Very low99 Ų99141.7 Ų141.782%0.81883%0.828SS**  trans-164.662.1158.600000110.8
52D36.9Very low33.5Very low161 Ų161138.4 Ų138.486%0.86182%0.823SS**  trans-83.3130.1150.7-160.97.2000106.3
53R37.5Very low34.2Very low222 Ų222139 Ų13984%0.83881%0.806SS**  trans89.788.3-166.9-53.6171.4-177.5-179.80.8115.8
54L30Very low34.7Very low163 Ų163141.3 Ų141.385%0.85381%0.809SS**  -176.783.2123.2-116.694000107.8
55C34.1Very low35.8Very low135 Ų135139.1 Ų139.191%0.91280%0.798SS**  trans-110.975.3162.6-650000107.5
56D37.4Very low37.1Very low143 Ų143135.2 Ų135.277%0.76577%0.77SS**  trans-156.5145.4148.3-135.9-16000109.8
57E33.8Very low39Very low176 Ų176141.5 Ų141.582%0.82278%0.78SS**  trans83.171-179.5-48.1-120.9141.600116
58S30.4Very low42Very low115 Ų115135.3 Ų135.380%0.80475%0.745SS**  trans-62129.6146.4-77.30000108.7T60S58-T60 PolarHBondContact O-N 3.3Å; S58-T60 VanDerWaalsContact O-N 3.1Å
59P38.4Very low45.1Very low116 Ų116131.8 Ų131.875%0.75372%0.715SS**  trans-64.4119.8169.427.6-31.7000107.1F61P59-F61 PolarHBondContact O-N 3.24Å; P59-F61 VanDerWaalsContact O-N 3.12Å
60T35.8Very low48.2Very low129 Ų129124.2 Ų124.279%0.79167%0.674SS**  trans-39123163.545.10000108.3S58 A62S58-T60 PolarHBondContact O-N 3.3Å; S58-T60 VanDerWaalsContact O-N 3.1Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 3.01Å
61F38.8Very low51.3Low187 Ų187119.2 Ų119.282%0.8263%0.633SS**  trans-47.6100.2169.2-96.3-100.5000107.4P59 Y63P59-F61 PolarHBondContact O-N 3.24Å; P59-F61 VanDerWaalsContact O-N 3.12Å; F61-Y63 WeakPolarHBondContact O-CD2 3.46Å; F61-Y63 PolarHBondContact O-N 2.92Å
62A37.5Very low54.5Low86 Ų86114.5 Ų114.571%0.71159%0.594SS**  trans-68.392.2170.700000104.2T60 N64T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 3.01Å; A62-N64 PolarHBondContact O-N 2.75Å
63Y40.5Very low57.5Low151 Ų151106.9 Ų106.959%0.59255%0.553SS**  trans-50.4113.9161-63.7-81.3000104.6F61 L65F61-Y63 WeakPolarHBondContact O-CD2 3.46Å; F61-Y63 PolarHBondContact O-N 2.92Å; Y63-L65 PolarHBondContact O-N 3.49Å
64N41.6Very low60.4Low164 Ų16496.6 Ų96.688%0.87752%0.515SS*.  trans-57.394.1164.9-88.1-37.8000104.7A62 S66A62-N64 PolarHBondContact O-N 2.75Å; N64-S66 PolarHBondContact O-N 2.66Å
65L53.3Low63.6Low126 Ų12689.2 Ų89.266%0.6648%0.478SS*.  trans-52.7121.5170.9-95.5109.3000104.8Y63 R67Y63-L65 PolarHBondContact O-N 3.49Å; L65-R67 PolarHBondContact O-N 3.31Å
66S56.8Low66.5Low36 Ų3683.6 Ų83.625%0.25244%0.439SS..  trans-48.6119.6171.8178.30000106.7N64 K68N64-S66 PolarHBondContact O-N 2.66Å; S66-K68 PolarHBondContact O-N 3.28Å; S66-K68 WeakPolarHBondContact OG-CB 3.23Å; S66-K68 PolarHBondContact OG-N 3.02Å
67R76.7Confident69.2Low242 Ų24279 Ų7991%0.91342%0.416SS*.SBendtrans-58.7-16.7172.5-73-173.7178.5-178.5-0110.8L65 T69L65-R67 PolarHBondContact O-N 3.31Å; R67-T69 PolarHBondContact O-N 2.74Å
68K92.9Very high72Confident41 Ų4172.5 Ų72.518%0.17838%0.384CS..SBendtrans-75122178.3-51.3-177.4179.4-109.90111.4S66 H70 C205 R206 H208 G209 N234S66-K68 PolarHBondContact O-N 3.28Å; S66-K68 WeakPolarHBondContact OG-CB 3.23Å; S66-K68 PolarHBondContact OG-N 3.02Å; K68-H70 PolarHBondContact O-CE1 2.97Å; K68-C205 PolarHBondContact NZ-O 2.99Å; K68-R206 PolarHBondContact NZ-O 3.01Å; K68-H208 PolarHBondContact NZ-O 3.49Å; K68-G209 WeakPolarHBondContact CA-O 3.46Å; K68-G209 WeakPolarHBondContact CB-O 3.43Å; K68-G209 VanDerWaalsContact CG-O 3.27Å; K68-G209 WeakPolarHBondContact CG-O 3.33Å; K68-N234 WeakPolarHBondContact O-CB 3.33Å
69T97Very high75Confident10 Ų1067 Ų676%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-73.4124.4163.5-56.60000109.3R67 V71 H210 V211 K236 L328 I330R67-T69 PolarHBondContact O-N 2.74Å; T69-V71 HydrophobicContact CG2-CG2 4.09Å; T69-H210 PolarHBondContact N-ND1 2.93Å; T69-V211 PolarHBondContact O-N 3.36Å; T69-K236 HydrophobicContact CG2-CD 4.19Å; T69-K236 HydrophobicContact CG2-CG 4.49Å; T69-L328 HydrophobicContact CG2-CD2 4.45Å; T69-I330 HydrophobicContact CG2-CD1 4.07Å; T69-I330 HydrophobicContact CG2-CG1 4.5Å
70H98.4Very high77.5Confident1 Ų162.3 Ų62.31%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-99.3128.1175-50.8112.9000108.6K68 Y136 V211 N234 L235 K236K68-H70 PolarHBondContact O-CE1 2.97Å; H70-Y136 HydrophobicContact CB-CD1 3.55Å; H70-Y136 HydrophobicContact CB-CE1 3.78Å; H70-Y136 HydrophobicContact CB-CG 3.97Å; H70-Y136 AromaticContact CD2-CD1 3.8Å; H70-Y136 AromaticContact CG-CD1 3.9Å; H70-Y136 PolarHBondContact NE2-O 3.35Å; H70-V211 WeakPolarHBondContact CA-O 3.2Å; H70-N234 PolarHBondContact N-O 3.35Å; H70-N234 PolarHBondContact ND1-N 3.43Å; H70-N234 VanDerWaalsContact ND1-N 3.17Å; H70-L235 HydrophobicContact CB-CB 4.48Å; H70-L235 HydrophobicContact CB-CD1 4.01Å; H70-L235 CarbonylContact O-C 3.43Å; H70-L235 WeakPolarHBondContact O-CA 3.3Å; H70-K236 PolarHBondContact O-N 3.37Å
71V98.7Very high80.3Confident1 Ų156.4 Ų56.41%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-120119.9-174.5-174.40000109.8T69 F88 Y136 V211 A212 I213 K236 I238 L328T69-V71 HydrophobicContact CG2-CG2 4.09Å; V71-F88 HydrophobicContact CG1-CE1 4.17Å; V71-F88 HydrophobicContact CG1-CZ 4.06Å; V71-Y136 PolarHBondContact O-OH 3.42Å; V71-V211 PolarHBondContact N-O 3.45Å; V71-A212 HydrophobicContact CB-CB 4.11Å; V71-A212 CarbonylContact O-C 3.53Å; V71-A212 WeakPolarHBondContact O-CA 3.2Å; V71-I213 PolarHBondContact O-N 2.84Å; V71-K236 WeakPolarHBondContact CA-O 3.42Å; V71-I238 HydrophobicContact CG1-CD1 3.77Å; V71-I238 HydrophobicContact CG1-CG1 4.35Å; V71-L328 HydrophobicContact CG1-CD1 4.41Å; V71-L328 HydrophobicContact CG1-CD2 4.26Å; V71-L328 HydrophobicContact CG2-CD1 4.04Å; V71-L328 HydrophobicContact CG2-CD2 3.79Å
72L98.8Very high82.9Confident0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-102.9119.4168.3-16975.5000110.5L74 L132 Y136 I213 T215 L224 L235 K236 V237 I238L72-L74 PolarHBondContact O-N 3.37Å; L72-L132 HydrophobicContact CD1-CD1 4.26Å; L72-L132 HydrophobicContact CD1-CD2 4.01Å; L72-Y136 WeakPolarHBondContact CA-OH 3.5Å; L72-Y136 VanDerWaalsContact CB-OH 3.3Å; L72-Y136 WeakPolarHBondContact CB-OH 3.28Å; L72-Y136 WeakPolarHBondContact CD1-OH 3.43Å; L72-Y136 PolarHBondContact N-OH 3Å; L72-I213 WeakPolarHBondContact CA-O 3.09Å; L72-I213 HydrophobicContact CD1-CB 4.29Å; L72-I213 HydrophobicContact CD1-CG2 4.36Å; L72-T215 HydrophobicContact CD1-CG2 3.94Å; L72-T215 HydrophobicContact CG-CG2 4.47Å; L72-L224 HydrophobicContact CD2-CD1 3.33Å; L72-L224 HydrophobicContact CD2-CD2 3.48Å; L72-L224 VanDerWaalsContact CD2-CD2 3.48Å; L72-L224 HydrophobicContact CD2-CG 4.04Å; L72-L235 HydrophobicContact CB-CD1 4.09Å; L72-K236 PolarHBondContact N-O 3.42Å; L72-V237 HydrophobicContact CB-CG2 4.46Å; L72-V237 WeakPolarHBondContact O-CA 3.28Å; L72-I238 PolarHBondContact O-N 3.22Å
73I98.8Very high85.5Confident0 Ų045.8 Ų45.80%022%0.223CC..EExtended strand (participates in β ladder)trans-89.996168.2-54.6154.6000107.3V84 F88 Y96 I213 K214 T215 I238I73-V84 HydrophobicContact CD1-CG1 4.25Å; I73-V84 HydrophobicContact CG1-CG1 4.29Å; I73-V84 HydrophobicContact CG2-CB 4.47Å; I73-V84 HydrophobicContact CG2-CG1 3.93Å; I73-F88 HydrophobicContact CD1-CD2 3.54Å; I73-F88 HydrophobicContact CD1-CE2 3.78Å; I73-F88 HydrophobicContact CG1-CD2 4.27Å; I73-F88 HydrophobicContact CG1-CE2 4.02Å; I73-Y96 HydrophobicContact CD1-CE2 4.24Å; I73-I213 PolarHBondContact N-O 3.06Å; I73-K214 HydrophobicContact CB-CB 4.12Å; I73-K214 HydrophobicContact CB-CG 4.14Å; I73-K214 HydrophobicContact CD1-CB 4.04Å; I73-K214 HydrophobicContact CG2-CG 4.12Å; I73-T215 PolarHBondContact O-N 2.84Å; I73-I238 WeakPolarHBondContact CA-O 3.25Å
74L98.4Very high88.1Confident6 Ų638.6 Ų38.63%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-82.6116.6176.4178.366.6000108.8L72 V218 V221 L224 V237 I238 Q239 L240L72-L74 PolarHBondContact O-N 3.37Å; L74-V218 HydrophobicContact CD1-CB 3.68Å; L74-V218 HydrophobicContact CD1-CG1 3.89Å; L74-V218 WeakPolarHBondContact CD1-O 3.29Å; L74-V221 HydrophobicContact CD2-CB 4.05Å; L74-L224 HydrophobicContact CD1-CD1 4.48Å; L74-L224 HydrophobicContact CD2-CD1 4.08Å; L74-V237 HydrophobicContact CB-CG1 4.04Å; L74-V237 HydrophobicContact CD2-CG1 4.47Å; L74-I238 PolarHBondContact N-O 2.83Å; L74-Q239 HydrophobicContact CD2-CB 4.49Å; L74-Q239 HydrophobicContact CD2-CG 4.23Å; L74-Q239 WeakPolarHBondContact O-CA 3.04Å; L74-L240 PolarHBondContact O-N 3.33Å
75A97.3Very high90.7Very high9 Ų930.8 Ų30.87%0.07415%0.153CC..  trans-144.8172.6-172.400000112.5S81 T215 V216 L240A75-S81 VanDerWaalsContact CB-CB 3.42Å; A75-T215 PolarHBondContact N-O 2.91Å; A75-T215 VanDerWaalsContact N-O 3.11Å; A75-V216 HydrophobicContact CB-CG1 4.21Å; A75-V216 VanDerWaalsContact O-CA 3.23Å; A75-V216 WeakPolarHBondContact O-CA 3.45Å; A75-L240 HydrophobicContact CB-CB 4.23Å
76T95.1Very high92.7Very high17 Ų1726.3 Ų26.310%0.10413%0.128CC..  trans-114.8157.5164.6-154.80000111.3R78 S79 I247 R251 V283 F287T76-R78 PolarHBondContact O-N 2.93Å; T76-S79 WeakPolarHBondContact O-CB 3.16Å; T76-S79 PolarHBondContact O-N 3.32Å; T76-S79 PolarHBondContact O-OG 3.47Å; T76-I247 HydrophobicContact CG2-CD1 3.73Å; T76-R251 PolarHBondContact OG1-NH2 3.08Å; T76-V283 HydrophobicContact CG2-CG1 4.34Å; T76-F287 HydrophobicContact CG2-CE1 4.05Å; T76-F287 HydrophobicContact CG2-CZ 3.64Å
77T93.8Very high94.6Very high45 Ų4524.6 Ų24.628%0.27612%0.116SC..THydrogen-bonded Turntrans-58.2128.7179.4-54.30000110.8R251 F255T77-R251 PolarHBondContact O-NE 2.98Å; T77-R251 PolarHBondContact O-NH2 2.93Å; T77-F255 HydrophobicContact CG2-CE2 3.82Å; T77-F255 HydrophobicContact CG2-CZ 3.83Å
78R92.7Very high95.6Very high41 Ų4113 Ų1316%0.1557%0.073CC..THydrogen-bonded Turntrans7216.1-174.5-51.9-55.5-61.8-176.3-6116.3T76 G80 R242 S250 R251 F255 K354T76-R78 PolarHBondContact O-N 2.93Å; R78-G80 VanDerWaalsContact C-N 3.27Å; R78-G80 PolarHBondContact O-N 3.45Å; R78-R242 WeakPolarHBondContact O-CD 3.36Å; R78-R242 PolarHBondContact O-NH1 3.33Å; R78-S250 VanDerWaalsContact CZ-OG 3.22Å; R78-S250 PolarHBondContact NE-OG 3.28Å; R78-S250 PolarHBondContact NH2-OG 3.01Å; R78-R251 HydrophobicContact CB-CG 4.1Å; R78-R251 HydrophobicContact CG-CG 3.66Å; R78-F255 HydrophobicContact CG-CE2 4.23Å; R78-K354 PolarHBondContact NH1-O 3.15Å
79S93.5Very high95.7Very high0 Ų011.5 Ų11.50%07%0.067CC..SBendtrans-72.7-11.3169.454.70000115T76 Y310T76-S79 WeakPolarHBondContact O-CB 3.16Å; T76-S79 PolarHBondContact O-N 3.32Å; T76-S79 PolarHBondContact O-OG 3.47Å; S79-Y310 WeakPolarHBondContact O-CB 3.27Å; S79-Y310 VanDerWaalsContact O-CD2 3.31Å; S79-Y310 WeakPolarHBondContact O-CD2 3.49Å
80G91.8Very high95.6Very high17 Ų1712.3 Ų12.318%0.1757%0.07CC..SBendtrans99.96.2-171.400000114R78 S82 F83 V84R78-G80 VanDerWaalsContact C-N 3.27Å; R78-G80 PolarHBondContact O-N 3.45Å; G80-S82 PolarHBondContact O-N 2.83Å; G80-S82 VanDerWaalsContact O-N 3.11Å; G80-F83 WeakPolarHBondContact O-CB 3.36Å; G80-F83 PolarHBondContact O-N 3.47Å; G80-V84 PolarHBondContact O-N 3.39Å
81S94.2Very high95.4Very high5 Ų512.7 Ų12.74%0.0357%0.071CC..Hα-helixtrans-60.9-20.8-177.756.80000115.6A75 F83 G85 K214 L240A75-S81 VanDerWaalsContact CB-CB 3.42Å; S81-F83 VanDerWaalsContact C-N 3.35Å; S81-G85 PolarHBondContact O-N 3.39Å; S81-K214 VanDerWaalsContact OG-CE 3.29Å; S81-K214 WeakPolarHBondContact OG-CE 3.46Å; S81-L240 VanDerWaalsContact N-CD2 3.26Å
82S92.2Very high95.2Very high24 Ų2418.8 Ų18.817%0.16810%0.098CC..Hα-helixtrans-66.7-36.2170.4-61.10000112.4G80 Q86G80-S82 PolarHBondContact O-N 2.83Å; G80-S82 VanDerWaalsContact O-N 3.11Å; S82-Q86 WeakPolarHBondContact O-CG 3.45Å; S82-Q86 PolarHBondContact O-N 3.11Å
83F93.2Very high95.1Very high25 Ų2521.1 Ų21.111%0.1111%0.11CC..Hα-helixtrans-70.7-48.9175.5179.7-87.2000110.3G80 S81 G85 Q86 L87 L313 P317 W339 T344 T357G80-F83 WeakPolarHBondContact O-CB 3.36Å; G80-F83 PolarHBondContact O-N 3.47Å; S81-F83 VanDerWaalsContact C-N 3.35Å; F83-G85 VanDerWaalsContact C-N 3.3Å; F83-G85 PolarHBondContact O-N 2.92Å; F83-Q86 WeakPolarHBondContact O-CB 3.49Å; F83-Q86 PolarHBondContact O-N 3.46Å; F83-L87 HydrophobicContact CE1-CD1 4.44Å; F83-L87 HydrophobicContact CE1-CD2 3.92Å; F83-L87 HydrophobicContact CE1-CG 4.39Å; F83-L87 HydrophobicContact CZ-CD2 4.29Å; F83-L87 PolarHBondContact O-N 2.92Å; F83-L313 HydrophobicContact CD1-CD2 4.01Å; F83-L313 HydrophobicContact CE1-CD2 4.18Å; F83-L313 HydrophobicContact CE1-CG 4.25Å; F83-P317 HydrophobicContact CZ-CB 4.29Å; F83-W339 AromaticContact CD2-CH2 3.64Å; F83-W339 HydrophobicContact CD2-CH2 3.64Å; F83-W339 AromaticContact CD2-CZ3 3.97Å; F83-W339 HydrophobicContact CD2-CZ3 3.97Å; F83-W339 AromaticContact CE2-CH2 3.67Å; F83-W339 HydrophobicContact CE2-CH2 3.67Å; F83-W339 AromaticContact CE2-CZ3 3.56Å; F83-W339 HydrophobicContact CE2-CZ3 3.56Å; F83-W339 HydrophobicContact CG-CH2 4.33Å; F83-W339 HydrophobicContact CZ-CH2 4.39Å; F83-W339 AromaticContact CZ-CZ3 3.88Å; F83-W339 HydrophobicContact CZ-CZ3 3.88Å; F83-T344 HydrophobicContact CE2-CG2 3.54Å; F83-T344 HydrophobicContact CZ-CG2 3.51Å; F83-T357 HydrophobicContact CB-CG2 4.42Å
84V95.6Very high95Very high1 Ų121.4 Ų21.41%0.00611%0.112CC..Hα-helixtrans-57.9-43176.9177.60000111.6I73 G80 Q86 L87 F88 L240 L313I73-V84 HydrophobicContact CD1-CG1 4.25Å; I73-V84 HydrophobicContact CG1-CG1 4.29Å; I73-V84 HydrophobicContact CG2-CB 4.47Å; I73-V84 HydrophobicContact CG2-CG1 3.93Å; G80-V84 PolarHBondContact O-N 3.39Å; V84-Q86 PolarHBondContact O-N 3.44Å; V84-L87 VanDerWaalsContact O-CB 3.27Å; V84-L87 WeakPolarHBondContact O-CB 3.2Å; V84-L87 PolarHBondContact O-N 2.94Å; V84-F88 HydrophobicContact CG1-CE2 4.11Å; V84-F88 VanDerWaalsContact O-CD2 3.29Å; V84-F88 WeakPolarHBondContact O-CD2 3.32Å; V84-L240 HydrophobicContact CB-CD2 4.47Å; V84-L240 HydrophobicContact CG2-CD1 3.98Å; V84-L240 HydrophobicContact CG2-CD2 3.79Å; V84-L240 HydrophobicContact CG2-CG 4.48Å; V84-L313 HydrophobicContact CG2-CD2 3.45Å; V84-L313 VanDerWaalsContact CG2-CD2 3.45Å
85G96.3Very high95Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-60.2-32.7175.800000113.5S81 F83 L87 F88 N89 Y96S81-G85 PolarHBondContact O-N 3.39Å; F83-G85 VanDerWaalsContact C-N 3.3Å; F83-G85 PolarHBondContact O-N 2.92Å; G85-L87 VanDerWaalsContact C-N 3.33Å; G85-F88 PolarHBondContact O-N 3.36Å; G85-N89 WeakPolarHBondContact O-CB 3.34Å; G85-N89 PolarHBondContact O-N 3.49Å; G85-Y96 WeakPolarHBondContact CA-OH 3.47Å
86Q94.7Very high95Very high31 Ų3120.7 Ų20.715%0.14511%0.107CC..Hα-helixtrans-70.2-28.6174.9-72-61.6-34.800112.9S82 F83 V84 F88 N89 Q90 W339 T357S82-Q86 WeakPolarHBondContact O-CG 3.45Å; S82-Q86 PolarHBondContact O-N 3.11Å; F83-Q86 WeakPolarHBondContact O-CB 3.49Å; F83-Q86 PolarHBondContact O-N 3.46Å; V84-Q86 PolarHBondContact O-N 3.44Å; Q86-F88 PolarHBondContact O-N 2.66Å; Q86-F88 VanDerWaalsContact O-N 3.12Å; Q86-N89 PolarHBondContact NE2-ND2 2.93Å; Q86-N89 PolarHBondContact O-N 3.46Å; Q86-N89 PolarHBondContact OE1-ND2 3.39Å; Q86-N89 VanDerWaalsContact OE1-ND2 3.07Å; Q86-Q90 WeakPolarHBondContact O-CG 3.37Å; Q86-Q90 PolarHBondContact O-N 3.01Å; Q86-Q90 VanDerWaalsContact O-N 3.08Å; Q86-W339 HydrophobicContact CB-CD2 4.47Å; Q86-W339 HydrophobicContact CB-CE3 4.48Å; Q86-W339 HydrophobicContact CB-CH2 3.33Å; Q86-W339 HydrophobicContact CB-CZ2 3.25Å; Q86-W339 HydrophobicContact CB-CZ3 3.96Å; Q86-W339 HydrophobicContact CG-CH2 4.04Å; Q86-W339 HydrophobicContact CG-CZ2 3.6Å; Q86-T357 HydrophobicContact CG-CG2 3.98Å
87L96.2Very high95.2Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-55.2-34.6173.9-54.9178000111.4F83 V84 G85 L313 T321 I324 Y325 V336 W339 I340F83-L87 HydrophobicContact CE1-CD1 4.44Å; F83-L87 HydrophobicContact CE1-CD2 3.92Å; F83-L87 HydrophobicContact CE1-CG 4.39Å; F83-L87 HydrophobicContact CZ-CD2 4.29Å; F83-L87 PolarHBondContact O-N 2.92Å; V84-L87 VanDerWaalsContact O-CB 3.27Å; V84-L87 WeakPolarHBondContact O-CB 3.2Å; V84-L87 PolarHBondContact O-N 2.94Å; G85-L87 VanDerWaalsContact C-N 3.33Å; L87-L313 HydrophobicContact CD1-CD1 4.32Å; L87-L313 HydrophobicContact CD1-CD2 4.46Å; L87-T321 HydrophobicContact CB-CG2 4.34Å; L87-T321 HydrophobicContact CD1-CG2 4.1Å; L87-T321 WeakPolarHBondContact CD1-OG1 3.39Å; L87-T321 HydrophobicContact CD2-CG2 4.14Å; L87-T321 HydrophobicContact CG-CG2 4.42Å; L87-I324 HydrophobicContact CD1-CD1 4.48Å; L87-Y325 PolarHBondContact O-OH 3.38Å; L87-V336 WeakPolarHBondContact O-CG1 3.21Å; L87-W339 HydrophobicContact CD2-CE3 4.44Å; L87-W339 HydrophobicContact CD2-CZ3 4.04Å; L87-I340 HydrophobicContact CD2-CD1 3.91Å; L87-I340 HydrophobicContact CD2-CG1 3.78Å
88F97.6Very high95.3Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-85.5-43.2176-63.6-73.6000113.1V71 I73 V84 G85 Q86 Q90 H91 V94 Y96 A212 I238 I324 L328V71-F88 HydrophobicContact CG1-CE1 4.17Å; V71-F88 HydrophobicContact CG1-CZ 4.06Å; I73-F88 HydrophobicContact CD1-CD2 3.54Å; I73-F88 HydrophobicContact CD1-CE2 3.78Å; I73-F88 HydrophobicContact CG1-CD2 4.27Å; I73-F88 HydrophobicContact CG1-CE2 4.02Å; V84-F88 HydrophobicContact CG1-CE2 4.11Å; V84-F88 VanDerWaalsContact O-CD2 3.29Å; V84-F88 WeakPolarHBondContact O-CD2 3.32Å; G85-F88 PolarHBondContact O-N 3.36Å; Q86-F88 PolarHBondContact O-N 2.66Å; Q86-F88 VanDerWaalsContact O-N 3.12Å; F88-Q90 PolarHBondContact O-N 3.26Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; F88-H91 VanDerWaalsContact O-CB 3.3Å; F88-H91 WeakPolarHBondContact O-CB 3.46Å; F88-H91 PolarHBondContact O-N 3.16Å; F88-V94 HydrophobicContact CB-CG1 4.07Å; F88-Y96 HydrophobicContact CB-CD2 4.33Å; F88-A212 HydrophobicContact CB-CB 3.84Å; F88-A212 HydrophobicContact CD1-CB 4.22Å; F88-A212 HydrophobicContact CG-CB 3.98Å; F88-I238 HydrophobicContact CE1-CD1 4.48Å; F88-I238 HydrophobicContact CE2-CD1 4.03Å; F88-I238 HydrophobicContact CZ-CD1 3.47Å; F88-I238 VanDerWaalsContact CZ-CD1 3.47Å; F88-I324 HydrophobicContact CZ-CG2 3.79Å; F88-L328 HydrophobicContact CE1-CD1 3.36Å; F88-L328 HydrophobicContact CZ-CD1 3.76Å
89N95.8Very high95.5Very high9 Ų917.8 Ų17.85%0.0489%0.091CC..Hα-helixtrans-63.3-19-177.9-167.953.7000114G85 Q86 Y96 A164 S165 K166G85-N89 WeakPolarHBondContact O-CB 3.34Å; G85-N89 PolarHBondContact O-N 3.49Å; Q86-N89 PolarHBondContact NE2-ND2 2.93Å; Q86-N89 PolarHBondContact O-N 3.46Å; Q86-N89 PolarHBondContact OE1-ND2 3.39Å; Q86-N89 VanDerWaalsContact OE1-ND2 3.07Å; N89-Y96 HydrophobicContact CB-CD1 3.67Å; N89-Y96 HydrophobicContact CB-CE1 4.29Å; N89-Y96 HydrophobicContact CB-CG 3.91Å; N89-Y96 WeakPolarHBondContact OD1-CD1 3.45Å; N89-A164 PolarHBondContact ND2-O 2.93Å; N89-A164 VanDerWaalsContact ND2-O 3.12Å; N89-A164 PolarHBondContact OD1-O 3.23Å; N89-S165 WeakPolarHBondContact OD1-CA 3.32Å; N89-K166 PolarHBondContact OD1-N 3.44Å
90Q94.2Very high95.7Very high26 Ų2618.1 Ų18.112%0.1219%0.093CC..THydrogen-bonded Turntrans-89.5-12.3177.1-60.8-58.8-37.100113.2Q86 F88 N335 V336 W339Q86-Q90 WeakPolarHBondContact O-CG 3.37Å; Q86-Q90 PolarHBondContact O-N 3.01Å; Q86-Q90 VanDerWaalsContact O-N 3.08Å; F88-Q90 PolarHBondContact O-N 3.26Å; F88-Q90 VanDerWaalsContact O-N 3.11Å; Q90-N335 WeakPolarHBondContact O-CB 3.44Å; Q90-V336 HydrophobicContact CB-CG2 4.23Å; Q90-W339 HydrophobicContact CB-CB 4.3Å; Q90-W339 HydrophobicContact CB-CG 4.46Å; Q90-W339 HydrophobicContact CG-CB 3.81Å; Q90-W339 HydrophobicContact CG-CD2 3.91Å; Q90-W339 HydrophobicContact CG-CG 3.49Å; Q90-W339 VanDerWaalsContact CG-CG 3.49Å
91H95.7Very high96Very high10 Ų1017.3 Ų17.35%0.0469%0.085CC..SBendtrans-76.4133.2175.3-166.8-75.3000110.1F88 D93 V94 Y325 P331 V336F88-H91 VanDerWaalsContact O-CB 3.3Å; F88-H91 WeakPolarHBondContact O-CB 3.46Å; F88-H91 PolarHBondContact O-N 3.16Å; H91-D93 VanDerWaalsContact C-N 3.31Å; H91-D93 PolarHBondContact ND1-N 3.21Å; H91-D93 PolarHBondContact O-N 3.45Å; H91-V94 HydrophobicContact CB-CB 4.1Å; H91-V94 HydrophobicContact CB-CG2 3.72Å; H91-Y325 AromaticContact CD2-CE1 3.56Å; H91-P331 PolarHBondContact NE2-O 3.39Å; H91-V336 HydrophobicContact CB-CG2 4Å
92F93.8Very high96Very high128 Ų12820.4 Ų20.456%0.56110%0.096SC*.THydrogen-bonded Turntrans-66.7-32.6-174.667.7-86.6000113.2H208 D333F92-H208 PolarHBondContact O-CD2 3.12Å; F92-D333 HydrophobicContact CD1-CB 3.87Å; F92-D333 VanDerWaalsContact CD1-CG 3.46Å; F92-D333 WeakPolarHBondContact CD1-OD2 3.45Å; F92-D333 HydrophobicContact CE1-CB 3.98Å; F92-D333 WeakPolarHBondContact CE1-OD2 3.12Å
93D95.6Very high96.2Very high49 Ų4919.6 Ų19.626%0.2629%0.09SC..THydrogen-bonded Turntrans-9814.5-175.3-154.728.2000114.6H91 G209 H210H91-D93 VanDerWaalsContact C-N 3.31Å; H91-D93 PolarHBondContact ND1-N 3.21Å; H91-D93 PolarHBondContact O-N 3.45Å; D93-G209 VanDerWaalsContact CG-N 3.25Å; D93-G209 PolarHBondContact O-N 2.67Å; D93-G209 PolarHBondContact OD1-N 2.95Å; D93-G209 WeakPolarHBondContact OD2-CA 3.4Å; D93-G209 PolarHBondContact OD2-N 2.82Å; D93-H210 PolarHBondContact O-N 2.86Å
94V97.6Very high96.3Very high6 Ų618.4 Ų18.44%0.0368%0.084CC..EExtended strand (participates in β ladder)trans-113118.9179.8178.20000111.3F88 H91 Y96 H210 A212F88-V94 HydrophobicContact CB-CG1 4.07Å; H91-V94 HydrophobicContact CB-CB 4.1Å; H91-V94 HydrophobicContact CB-CG2 3.72Å; V94-Y96 PolarHBondContact O-N 2.76Å; V94-H210 HydrophobicContact CG2-CB 3.94Å; V94-A212 HydrophobicContact CG1-CB 3.56Å
95F98.1Very high96.1Very high0 Ų021.2 Ų21.20%010%0.097CC..EExtended strand (participates in β ladder)trans-80.6105.1167.6-171-94.5000110.1L97 L140 A167 L168 C205 H208 H210 V211 A212F95-L97 HydrophobicContact CD1-CG 4.19Å; F95-L97 HydrophobicContact CE1-CD1 4.01Å; F95-L97 HydrophobicContact CE1-CD2 3.69Å; F95-L97 HydrophobicContact CE1-CG 3.72Å; F95-L97 HydrophobicContact CZ-CD2 4.19Å; F95-L140 HydrophobicContact CE1-CD2 4.31Å; F95-L140 HydrophobicContact CZ-CD2 3.98Å; F95-A167 HydrophobicContact CD2-CB 3.58Å; F95-A167 HydrophobicContact CE2-CB 3.9Å; F95-L168 HydrophobicContact CE2-CD2 3.99Å; F95-L168 HydrophobicContact CZ-CD2 3.78Å; F95-L168 HydrophobicContact CZ-CG 4.46Å; F95-C205 HydrophobicContact CD1-CB 3.8Å; F95-C205 HydrophobicContact CD2-CB 3.86Å; F95-C205 HydrophobicContact CE1-CB 3.83Å; F95-C205 HydrophobicContact CE2-CB 3.9Å; F95-C205 HydrophobicContact CG-CB 3.8Å; F95-C205 HydrophobicContact CZ-CB 3.88Å; F95-H208 HydrophobicContact CB-CB 3.93Å; F95-H210 PolarHBondContact N-O 2.76Å; F95-V211 HydrophobicContact CD1-CG1 4.49Å; F95-V211 WeakPolarHBondContact O-CA 3.37Å; F95-A212 PolarHBondContact O-N 3.13Å
96Y98.2Very high95.8Very high1 Ų126.8 Ų26.80%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-99.1133.7-175.7174.6-105.9000113I73 G85 F88 N89 V94 F98 S165 A212 K214I73-Y96 HydrophobicContact CD1-CE2 4.24Å; G85-Y96 WeakPolarHBondContact CA-OH 3.47Å; F88-Y96 HydrophobicContact CB-CD2 4.33Å; N89-Y96 HydrophobicContact CB-CD1 3.67Å; N89-Y96 HydrophobicContact CB-CE1 4.29Å; N89-Y96 HydrophobicContact CB-CG 3.91Å; N89-Y96 WeakPolarHBondContact OD1-CD1 3.45Å; V94-Y96 PolarHBondContact O-N 2.76Å; Y96-F98 HydrophobicContact CE1-CB 4.1Å; Y96-F98 HydrophobicContact CE1-CD2 4.31Å; Y96-F98 WeakPolarHBondContact OH-CD2 3.4Å; Y96-S165 WeakPolarHBondContact O-CB 3.22Å; Y96-S165 PolarHBondContact O-OG 3.16Å; Y96-A212 CarbonylContact C-O 3.46Å; Y96-A212 VanDerWaalsContact CA-O 3.3Å; Y96-A212 WeakPolarHBondContact CA-O 3.39Å; Y96-A212 HydrophobicContact CD2-CB 4.09Å; Y96-A212 WeakPolarHBondContact CD2-O 3.47Å; Y96-K214 HydrophobicContact CE2-CB 3.89Å; Y96-K214 WeakPolarHBondContact OH-CB 3.3Å
97L98.2Very high95.7Very high8 Ų827.2 Ų27.24%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-121130.3172.6-66.9176.8000112.4F95 P100 L135 L168 A212 I213 K214F95-L97 HydrophobicContact CD1-CG 4.19Å; F95-L97 HydrophobicContact CE1-CD1 4.01Å; F95-L97 HydrophobicContact CE1-CD2 3.69Å; F95-L97 HydrophobicContact CE1-CG 3.72Å; F95-L97 HydrophobicContact CZ-CD2 4.19Å; L97-P100 HydrophobicContact CB-CG 4.43Å; L97-L135 HydrophobicContact CD1-CB 4.45Å; L97-L135 HydrophobicContact CD1-CD1 4.09Å; L97-L135 HydrophobicContact CD1-CD2 4.07Å; L97-L135 HydrophobicContact CD1-CG 4.44Å; L97-L168 HydrophobicContact CD2-CD1 4.08Å; L97-A212 PolarHBondContact N-O 2.97Å; L97-I213 HydrophobicContact CB-CG1 4.33Å; L97-I213 HydrophobicContact CD1-CG1 4.5Å; L97-K214 PolarHBondContact O-N 3.02Å
98F97.1Very high95.3Very high18 Ų1831.3 Ų31.38%0.07915%0.146CC..EExtended strand (participates in β ladder)trans-94.5106.3177.7-168.2-75.7000111.1Y96 F160 R161 A164 K214Y96-F98 HydrophobicContact CE1-CB 4.1Å; Y96-F98 HydrophobicContact CE1-CD2 4.31Å; Y96-F98 WeakPolarHBondContact OH-CD2 3.4Å; F98-F160 HydrophobicContact CD1-CE1 4.24Å; F98-F160 HydrophobicContact CE1-CE1 4.21Å; F98-R161 HydrophobicContact CB-CB 4.25Å; F98-R161 HydrophobicContact CD1-CB 3.63Å; F98-R161 HydrophobicContact CD1-CG 3.7Å; F98-R161 HydrophobicContact CE1-CB 4.27Å; F98-R161 HydrophobicContact CE1-CG 3.86Å; F98-R161 VanDerWaalsContact CE1-NE 3.26Å; F98-R161 HydrophobicContact CG-CB 4.13Å; F98-A164 HydrophobicContact CB-CB 3.92Å; F98-A164 HydrophobicContact CD2-CB 4.04Å; F98-A164 HydrophobicContact CG-CB 4.1Å; F98-K214 VanDerWaalsContact CE2-NZ 3.31Å
99E97.2Very high94.7Very high16 Ų1632.5 Ų32.58%0.07515%0.152CC..  trans54.350.7170.3-67.2-161.9-176.900116.5L101 Y102 F160 K214 V216 R217E99-L101 PolarHBondContact O-N 3.14Å; E99-L101 VanDerWaalsContact O-N 3.16Å; E99-Y102 VanDerWaalsContact O-CB 3.26Å; E99-Y102 WeakPolarHBondContact O-CB 3.48Å; E99-Y102 PolarHBondContact O-N 3.05Å; E99-F160 HydrophobicContact CB-CD1 4.01Å; E99-F160 HydrophobicContact CB-CE1 3.84Å; E99-K214 WeakPolarHBondContact CA-O 3.41Å; E99-K214 HydrophobicContact CG-CD 3.77Å; E99-K214 PolarHBondContact N-O 2.8Å; E99-K214 IonicContact OE1-NZ 3.57Å; E99-K214 PolarHBondContact OE1-NZ 2.77Å; E99-V216 WeakPolarHBondContact OE1-CG1 3.33Å; E99-V216 VanDerWaalsContact OE1-CG2 3.25Å; E99-V216 WeakPolarHBondContact OE1-CG2 3.37Å; E99-R217 IonicContact OE2-CZ 2.67Å; E99-R217 IonicContact OE2-NH1 2.79Å; E99-R217 PolarHBondContact OE2-NH1 3.41Å; E99-R217 IonicContact OE2-NH2 3.78Å; E99-R217 PolarHBondContact OE2-NH2 3.13Å
100P97.4Very high93.3Very high6 Ų636.6 Ų36.64%0.03918%0.179CC..THydrogen-bonded Turntrans-60.7-28.7179.225.9-34.6000113.2L97 Y102 H103 L135 L143 I213L97-P100 HydrophobicContact CB-CG 4.43Å; P100-Y102 PolarHBondContact O-N 3.42Å; P100-H103 PolarHBondContact O-N 2.96Å; P100-L135 HydrophobicContact CB-CD1 3.58Å; P100-L135 HydrophobicContact CG-CD1 3.67Å; P100-L143 HydrophobicContact CB-CD2 4.2Å; P100-I213 HydrophobicContact CG-CG2 3.55Å
101L97Very high91.7Very high0 Ų044.7 Ų44.70%021%0.214CC..THydrogen-bonded Turntrans-64.2-8.2175.7-62.2-166.8000114.1E99 H103 V104 Q105 L131 L132 T215 R217 V218E99-L101 PolarHBondContact O-N 3.14Å; E99-L101 VanDerWaalsContact O-N 3.16Å; L101-H103 PolarHBondContact O-N 3.06Å; L101-V104 HydrophobicContact CD2-CG2 4.25Å; L101-V104 PolarHBondContact O-N 2.85Å; L101-Q105 PolarHBondContact O-N 2.84Å; L101-Q105 VanDerWaalsContact O-N 3.09Å; L101-L131 HydrophobicContact CD2-CB 4.35Å; L101-L131 HydrophobicContact CD2-CD2 3.86Å; L101-L131 HydrophobicContact CD2-CG 4.29Å; L101-L132 HydrophobicContact CD1-CD1 4.2Å; L101-L132 HydrophobicContact CD1-CG 4.4Å; L101-L132 HydrophobicContact CD2-CD2 4.41Å; L101-L132 HydrophobicContact CD2-CG 4.11Å; L101-L132 HydrophobicContact CG-CD2 4.47Å; L101-L132 HydrophobicContact CG-CG 4.48Å; L101-T215 HydrophobicContact CD1-CG2 4.43Å; L101-T215 WeakPolarHBondContact CD1-OG1 3.36Å; L101-R217 HydrophobicContact CB-CB 4.05Å; L101-R217 HydrophobicContact CD1-CB 4.33Å; L101-R217 WeakPolarHBondContact O-CD 3.42Å; L101-V218 HydrophobicContact CD1-CG2 3.81Å
102Y95.3Very high89.7Confident71 Ų7148.3 Ų48.328%0.27823%0.233SC..Hα-helixtrans-52.2-43.3168.9173.4-94.6000111.7E99 P100 V104 Q105 Y106 F160 R217E99-Y102 VanDerWaalsContact O-CB 3.26Å; E99-Y102 WeakPolarHBondContact O-CB 3.48Å; E99-Y102 PolarHBondContact O-N 3.05Å; P100-Y102 PolarHBondContact O-N 3.42Å; Y102-V104 PolarHBondContact O-N 2.85Å; Y102-Q105 PolarHBondContact O-N 2.86Å; Y102-Y106 HydrophobicContact CE1-CG 4.45Å; Y102-Y106 VanDerWaalsContact O-CB 3.3Å; Y102-Y106 WeakPolarHBondContact O-CB 2.86Å; Y102-Y106 PolarHBondContact O-N 2.84Å; Y102-F160 HydrophobicContact CD1-CB 3.56Å; Y102-F160 HydrophobicContact CD1-CD1 4.29Å; Y102-F160 AromaticContact CD1-CD2 3.72Å; Y102-F160 HydrophobicContact CD1-CD2 3.72Å; Y102-F160 HydrophobicContact CD1-CE2 4.49Å; Y102-F160 AromaticContact CD1-CG 3.61Å; Y102-F160 HydrophobicContact CD1-CG 3.61Å; Y102-F160 HydrophobicContact CD2-CD1 4.36Å; Y102-F160 HydrophobicContact CD2-CD2 4.03Å; Y102-F160 HydrophobicContact CD2-CE1 4.3Å; Y102-F160 AromaticContact CD2-CE2 3.99Å; Y102-F160 HydrophobicContact CD2-CE2 3.99Å; Y102-F160 HydrophobicContact CD2-CG 4.22Å; Y102-F160 HydrophobicContact CD2-CZ 4.13Å; Y102-F160 HydrophobicContact CE1-CB 4.22Å; Y102-F160 AromaticContact CE1-CD2 3.83Å; Y102-F160 HydrophobicContact CE1-CD2 3.83Å; Y102-F160 HydrophobicContact CE1-CG 4.19Å; Y102-F160 HydrophobicContact CE2-CD2 4.15Å; Y102-F160 HydrophobicContact CE2-CE2 4.04Å; Y102-F160 HydrophobicContact CG-CB 4Å; Y102-F160 AromaticContact CG-CD1 3.84Å; Y102-F160 HydrophobicContact CG-CD1 3.84Å; Y102-F160 AromaticContact CG-CD2 3.81Å; Y102-F160 HydrophobicContact CG-CD2 3.81Å; Y102-F160 HydrophobicContact CG-CE1 4.22Å; Y102-F160 HydrophobicContact CG-CE2 4.22Å; Y102-F160 AromaticContact CG-CG 3.61Å; Y102-F160 HydrophobicContact CG-CG 3.61Å; Y102-F160 HydrophobicContact CG-CZ 4.41Å; Y102-R217 VanDerWaalsContact CA-CZ 3.48Å; Y102-R217 VanDerWaalsContact CA-NE 3.33Å
103H95.4Very high87.5Confident6 Ų648.6 Ų48.63%0.02825%0.245CC..Hα-helixtrans-67.6-37.1-177.1-66.9-57.7000112.7P100 L101 Y106 T107 R158 L159 F160P100-H103 PolarHBondContact O-N 2.96Å; L101-H103 PolarHBondContact O-N 3.06Å; H103-Y106 PolarHBondContact O-N 3.14Å; H103-T107 VanDerWaalsContact O-CB 3.29Å; H103-T107 WeakPolarHBondContact O-CB 3.13Å; H103-T107 PolarHBondContact O-N 2.79Å; H103-T107 PolarHBondContact O-OG1 3.46Å; H103-R158 PolarHBondContact CE1-O 2.83Å; H103-R158 VanDerWaalsContact CE1-O 3.24Å; H103-L159 WeakPolarHBondContact NE2-CD1 3.47Å; H103-F160 PolarHBondContact NE2-N 2.79Å
104V95.2Very high85.4Confident0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-63.2-47.8174-177.60000110.1L101 Y102 Y106 T107 L108 M124 A127 L131 Y146L101-V104 HydrophobicContact CD2-CG2 4.25Å; L101-V104 PolarHBondContact O-N 2.85Å; Y102-V104 PolarHBondContact O-N 2.85Å; V104-Y106 PolarHBondContact O-N 3.19Å; V104-T107 PolarHBondContact O-N 2.81Å; V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.4Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3.46Å; V104-M124 HydrophobicContact CB-CE 3.92Å; V104-M124 HydrophobicContact CG1-CB 4.27Å; V104-M124 HydrophobicContact CG1-CE 3.67Å; V104-A127 HydrophobicContact CG1-CB 3.65Å; V104-L131 HydrophobicContact CG2-CB 4.32Å; V104-L131 HydrophobicContact CG2-CD2 3.41Å; V104-L131 VanDerWaalsContact CG2-CD2 3.41Å; V104-Y146 HydrophobicContact CB-CD1 4.44Å; V104-Y146 HydrophobicContact CG1-CE1 4.41Å; V104-Y146 HydrophobicContact CG2-CD1 4.07Å; V104-Y146 HydrophobicContact CG2-CD2 4.01Å; V104-Y146 HydrophobicContact CG2-CE1 4.18Å; V104-Y146 HydrophobicContact CG2-CE2 4.1Å; V104-Y146 HydrophobicContact CG2-CG 3.99Å
105Q91.6Very high83.1Confident60 Ų6050.2 Ų50.228%0.2825%0.253SS..Hα-helixtrans-60.5-46.9177.4-179173.757.400111.3L101 Y102 T107 I109 M124L101-Q105 PolarHBondContact O-N 2.84Å; L101-Q105 VanDerWaalsContact O-N 3.09Å; Y102-Q105 PolarHBondContact O-N 2.86Å; Q105-T107 VanDerWaalsContact C-N 3.33Å; Q105-T107 PolarHBondContact O-N 3.4Å; Q105-I109 CarbonylContact O-C 3.51Å; Q105-I109 WeakPolarHBondContact O-CA 3.43Å; Q105-I109 WeakPolarHBondContact O-CB 3.13Å; Q105-I109 PolarHBondContact O-N 3.35Å; Q105-M124 VanDerWaalsContact CA-CE 3.41Å; Q105-M124 HydrophobicContact CB-CE 3.61Å; Q105-M124 HydrophobicContact CB-SD 4.23Å; Q105-M124 HydrophobicContact CG-CE 4.48Å; Q105-M124 HydrophobicContact CG-SD 4.5Å; Q105-M124 VanDerWaalsContact N-CE 3.28Å
106Y90.3Very high81.1Confident118 Ų11855.4 Ų55.446%0.46328%0.276SS..Hα-helixtrans-63.3-39.7-178.1-175.5-98.5000112.1Y102 H103 V104 P110 K148Y102-Y106 HydrophobicContact CE1-CG 4.45Å; Y102-Y106 VanDerWaalsContact O-CB 3.3Å; Y102-Y106 WeakPolarHBondContact O-CB 2.86Å; Y102-Y106 PolarHBondContact O-N 2.84Å; H103-Y106 PolarHBondContact O-N 3.14Å; V104-Y106 PolarHBondContact O-N 3.19Å; Y106-P110 WeakPolarHBondContact O-CA 3.27Å; Y106-K148 HydrophobicContact CE1-CB 4.17Å; Y106-K148 HydrophobicContact CE1-CG 4.37Å
107T91.6Very high79.5Confident40 Ų4057.6 Ų57.625%0.24529%0.291CS..Hα-helixtrans-75.8-44.7-179.3-65.20000112.7H103 V104 Q105 Y146H103-T107 VanDerWaalsContact O-CB 3.29Å; H103-T107 WeakPolarHBondContact O-CB 3.13Å; H103-T107 PolarHBondContact O-N 2.79Å; H103-T107 PolarHBondContact O-OG1 3.46Å; V104-T107 PolarHBondContact O-N 2.81Å; Q105-T107 VanDerWaalsContact C-N 3.33Å; Q105-T107 PolarHBondContact O-N 3.4Å; T107-Y146 HydrophobicContact CG2-CD1 4.33Å; T107-Y146 PolarHBondContact OG1-O 3.28Å
108L89.7Confident78.1Confident86 Ų8660.9 Ų60.945%0.4531%0.312SS..Hα-helixtrans-85.5-23-174.8-60.4-177.1000113.1V104 P110 M124 A127V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 HydrophobicContact CG1-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.4Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3.46Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å; L108-M124 HydrophobicContact CD1-CB 4.11Å; L108-A127 HydrophobicContact CD1-CB 3.75Å
109I84.6Confident77Confident24 Ų2464.8 Ų64.812%0.12334%0.337CS..SBendtrans-128.860.8-177.9-44.9172000109.4Q105 K111 D120 M124Q105-I109 CarbonylContact O-C 3.51Å; Q105-I109 WeakPolarHBondContact O-CA 3.43Å; Q105-I109 WeakPolarHBondContact O-CB 3.13Å; Q105-I109 PolarHBondContact O-N 3.35Å; I109-K111 PolarHBondContact O-N 3.01Å; I109-K111 VanDerWaalsContact O-N 3.16Å; I109-D120 HydrophobicContact CD1-CB 4.03Å; I109-M124 HydrophobicContact CD1-SD 4.03Å
110P65Low76Confident96 Ų9667 Ų6762%0.62335%0.349SS*.THydrogen-bonded Turntrans-70.3-14.4-168.827.1-35.2000114.4Y106 L108Y106-P110 WeakPolarHBondContact O-CA 3.27Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å
111K61.1Low75.2Confident195 Ų19569 Ų6985%0.84836%0.356SS*.THydrogen-bonded Turntrans-101.410.4-170.7-76.3-166.4177.4-179.40116.3I109I109-K111 PolarHBondContact O-N 3.01Å; I109-K111 VanDerWaalsContact O-N 3.16Å
112L53.2Low74.5Confident86 Ų8675.8 Ų75.845%0.4538%0.382SS..  trans-128.8113.3178.4-84.1120.8000115Q114L112-Q114 WeakPolarHBondContact CD2-O 3.12Å; L112-Q114 PolarHBondContact O-N 2.69Å
113T48.5Very low74Confident135 Ų13575.4 Ų75.483%0.82840%0.4SS*.THydrogen-bonded Turn-43.485.8121.943.40000109.5
114Q52.4Low73.8Confident68 Ų6875.3 Ų75.332%0.31840%0.399SS..THydrogen-bonded Turntrans6981.7173.9-58.1156.85.700115.7L112 K116 T258L112-Q114 WeakPolarHBondContact CD2-O 3.12Å; L112-Q114 PolarHBondContact O-N 2.69Å; Q114-K116 VanDerWaalsContact O-CG 3.23Å; Q114-K116 WeakPolarHBondContact O-CG 3.35Å; Q114-K116 PolarHBondContact O-N 2.83Å; Q114-T258 VanDerWaalsContact CD-CG2 3.48Å; Q114-T258 PolarHBondContact NE2-OG1 3.06Å
115S47.2Very low73.7Confident21 Ų2177 Ų7715%0.14741%0.408CS..  trans-60.4116.5165.6178.90000108.8D120S115-D120 WeakPolarHBondContact OG-CB 3.49Å; S115-D120 PolarHBondContact OG-OD2 3.2Å
116K56.3Low73.9Confident109 Ų10975.6 Ų75.647%0.47441%0.41SS..  trans-90.2-7.7-176.8-51.8-174.1-176-178.40111.8Q114 D276Q114-K116 VanDerWaalsContact O-CG 3.23Å; Q114-K116 WeakPolarHBondContact O-CG 3.35Å; Q114-K116 PolarHBondContact O-N 2.83Å; K116-D276 WeakPolarHBondContact CE-OD2 3.27Å; K116-D276 IonicContact NZ-OD2 2.68Å; K116-D276 PolarHBondContact NZ-OD2 2.94Å
117S64.9Low74.2Confident46 Ų4670.9 Ų70.932%0.32240%0.395SS..  trans-86.2122.9-175.1-178.80000110.5T119 D120 R121S117-T119 PolarHBondContact O-N 2.99Å; S117-T119 WeakPolarHBondContact OG-CB 3.47Å; S117-T119 PolarHBondContact OG-N 3.29Å; S117-D120 PolarHBondContact O-N 3.31Å; S117-R121 PolarHBondContact O-N 3.01Å
118T68.4Low74.4Confident78 Ų7869 Ų6948%0.47938%0.384SS..Hα-helixtrans-56-33.6170.948.20000111.6R121 R122T118-R121 PolarHBondContact O-N 2.96Å; T118-R122 WeakPolarHBondContact O-CG 3.45Å; T118-R122 PolarHBondContact O-N 3.41Å
119T74.1Confident74.8Confident99 Ų9970.2 Ų70.261%0.60738%0.382SS*.Hα-helixtrans-62-44176.3-50.70000112.2S117 R122 G123S117-T119 PolarHBondContact O-N 2.99Å; S117-T119 WeakPolarHBondContact OG-CB 3.47Å; S117-T119 PolarHBondContact OG-N 3.29Å; T119-R122 PolarHBondContact O-N 3.29Å; T119-G123 PolarHBondContact O-N 3.21Å
120D77.9Confident75.4Confident62 Ų6272.1 Ų72.133%0.33239%0.393SS..Hα-helixtrans-67.2-41.4-180-64.9-2.1000110.8I109 S115 S117 R122 G123 M124I109-D120 HydrophobicContact CD1-CB 4.03Å; S115-D120 WeakPolarHBondContact OG-CB 3.49Å; S115-D120 PolarHBondContact OG-OD2 3.2Å; S117-D120 PolarHBondContact O-N 3.31Å; D120-R122 VanDerWaalsContact C-N 3.27Å; D120-R122 PolarHBondContact O-N 3.22Å; D120-G123 PolarHBondContact O-N 3.08Å; D120-M124 PolarHBondContact O-N 3.3Å
121R79.8Confident77Confident49 Ų4967.5 Ų67.519%0.18536%0.363CS..Hα-helixtrans-61.4-36.7175.6-67.1179.964.5-175.6-2.1111.7S117 T118 M124 P219 D286S117-R121 PolarHBondContact O-N 3.01Å; T118-R121 PolarHBondContact O-N 2.96Å; R121-M124 WeakPolarHBondContact O-CG 3.49Å; R121-P219 HydrophobicContact CB-CG 4.43Å; R121-P219 VanDerWaalsContact NH2-CA 3.33Å; R121-D286 IonicContact CZ-OD2 3.09Å; R121-D286 VanDerWaalsContact CZ-OD2 3.29Å; R121-D286 IonicContact NH1-OD1 2.77Å; R121-D286 IonicContact NH1-OD2 2.81Å; R121-D286 PolarHBondContact NH1-OD2 3.5Å; R121-D286 IonicContact NH2-OD2 2.73Å; R121-D286 PolarHBondContact NH2-OD2 3.47Å
122R81.6Confident78.8Confident143 Ų14358.3 Ų58.354%0.5432%0.323SS..Hα-helixtrans-74.2-34.7176-73.9179.4177.4-109.9-3.9112.5T118 T119 D120 M124 L125T118-R122 WeakPolarHBondContact O-CG 3.45Å; T118-R122 PolarHBondContact O-N 3.41Å; T119-R122 PolarHBondContact O-N 3.29Å; D120-R122 VanDerWaalsContact C-N 3.27Å; D120-R122 PolarHBondContact O-N 3.22Å; R122-M124 PolarHBondContact O-N 2.99Å; R122-L125 HydrophobicContact CB-CD1 4.23Å; R122-L125 HydrophobicContact CG-CD1 4.11Å; R122-L125 WeakPolarHBondContact O-CB 3.36Å; R122-L125 WeakPolarHBondContact O-CG 3.19Å; R122-L125 PolarHBondContact O-N 3.32Å; R122-L125 VanDerWaalsContact O-N 3.12Å
123G85.9Confident80.9Confident63 Ų6358.5 Ų58.565%0.64932%0.318SS*.Hα-helixtrans-60.6-28.2177.800000114T119 D120T119-G123 PolarHBondContact O-N 3.21Å; D120-G123 PolarHBondContact O-N 3.08Å
124M91.3Very high83.3Confident3 Ų352.4 Ų52.42%0.01528%0.281CS..THydrogen-bonded Turntrans-88.6-2.3178.268.7174.7-4700114.9V104 Q105 L108 I109 D120 R121 R122 G126 S128V104-M124 HydrophobicContact CB-CE 3.92Å; V104-M124 HydrophobicContact CG1-CB 4.27Å; V104-M124 HydrophobicContact CG1-CE 3.67Å; Q105-M124 VanDerWaalsContact CA-CE 3.41Å; Q105-M124 HydrophobicContact CB-CE 3.61Å; Q105-M124 HydrophobicContact CB-SD 4.23Å; Q105-M124 HydrophobicContact CG-CE 4.48Å; Q105-M124 HydrophobicContact CG-SD 4.5Å; Q105-M124 VanDerWaalsContact N-CE 3.28Å; L108-M124 HydrophobicContact CD1-CB 4.11Å; I109-M124 HydrophobicContact CD1-SD 4.03Å; D120-M124 PolarHBondContact O-N 3.3Å; R121-M124 WeakPolarHBondContact O-CG 3.49Å; R122-M124 PolarHBondContact O-N 2.99Å; M124-G126 PolarHBondContact O-N 3.04Å; M124-S128 VanDerWaalsContact O-CB 3.25Å; M124-S128 WeakPolarHBondContact O-CB 3.14Å; M124-S128 PolarHBondContact O-N 3.17Å; M124-S128 PolarHBondContact O-OG 2.99Å
125L92.9Very high85.5Confident35 Ų3549.2 Ų49.218%0.18327%0.266CS..Hα-helixtrans-65.2-39.6-174.5-70.6175.7000112.7R122 S128 R129 D223R122-L125 HydrophobicContact CB-CD1 4.23Å; R122-L125 HydrophobicContact CG-CD1 4.11Å; R122-L125 WeakPolarHBondContact O-CB 3.36Å; R122-L125 WeakPolarHBondContact O-CG 3.19Å; R122-L125 PolarHBondContact O-N 3.32Å; R122-L125 VanDerWaalsContact O-N 3.12Å; L125-S128 PolarHBondContact O-N 2.91Å; L125-R129 VanDerWaalsContact O-CB 3.28Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 PolarHBondContact O-N 2.87Å; L125-D223 HydrophobicContact CD1-CB 4.28Å; L125-D223 WeakPolarHBondContact CD1-OD1 3.49Å; L125-D223 HydrophobicContact CD2-CB 4.05Å
126G95.3Very high87.9Confident32 Ų3248.3 Ų48.333%0.3326%0.259SS..Hα-helixtrans-59.6-54.6176.700000111.9M124 S128 R129 D130M124-G126 PolarHBondContact O-N 3.04Å; G126-S128 VanDerWaalsContact C-N 3.29Å; G126-S128 PolarHBondContact O-N 3.03Å; G126-R129 WeakPolarHBondContact O-CB 3.37Å; G126-R129 PolarHBondContact O-N 2.82Å; G126-D130 PolarHBondContact O-N 3.16Å
127A96.4Very high89.8Confident18 Ų1846 Ų4615%0.14925%0.252CS..Hα-helixtrans-61.1-37176.800000112.8V104 L108 D130 L131 Y146V104-A127 HydrophobicContact CG1-CB 3.65Å; L108-A127 HydrophobicContact CD1-CB 3.75Å; A127-D130 PolarHBondContact O-N 3.34Å; A127-L131 WeakPolarHBondContact O-CB 3.34Å; A127-L131 PolarHBondContact O-N 3.17Å; A127-Y146 HydrophobicContact CB-CE1 4.31Å
128S96.9Very high91.4Very high2 Ų244 Ų441%0.01424%0.238CC..Hα-helixtrans-66.1-43.1176.8-63.40000112.1M124 L125 G126 L132M124-S128 VanDerWaalsContact O-CB 3.25Å; M124-S128 WeakPolarHBondContact O-CB 3.14Å; M124-S128 PolarHBondContact O-N 3.17Å; M124-S128 PolarHBondContact O-OG 2.99Å; L125-S128 PolarHBondContact O-N 2.91Å; G126-S128 VanDerWaalsContact C-N 3.29Å; G126-S128 PolarHBondContact O-N 3.03Å; S128-L132 WeakPolarHBondContact O-CB 3.35Å; S128-L132 VanDerWaalsContact O-CG 3.27Å; S128-L132 WeakPolarHBondContact O-CG 3.02Å; S128-L132 PolarHBondContact O-N 3.38Å
129R97.4Very high92.7Very high110 Ų11043 Ų4342%0.41523%0.23SC..Hα-helixtrans-59.7-49.5175-178.9-160.163.1-158.3-4.8110.5L125 G126 L132 R133 L227L125-R129 VanDerWaalsContact O-CB 3.28Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 PolarHBondContact O-N 2.87Å; G126-R129 WeakPolarHBondContact O-CB 3.37Å; G126-R129 PolarHBondContact O-N 2.82Å; R129-L132 PolarHBondContact O-N 3.48Å; R129-R133 WeakPolarHBondContact O-CB 3.3Å; R129-R133 PolarHBondContact O-N 3.04Å; R129-L227 HydrophobicContact CG-CD1 4.21Å; R129-L227 HydrophobicContact CG-CD2 3.88Å; R129-L227 HydrophobicContact CG-CG 3.78Å
130D97.7Very high93.9Very high64 Ų6438.3 Ų38.334%0.34220%0.201SC..Hα-helixtrans-65.7-42.3-176.1-61.5-13.9000111.1G126 A127 R133 S134 F142G126-D130 PolarHBondContact O-N 3.16Å; A127-D130 PolarHBondContact O-N 3.34Å; D130-R133 PolarHBondContact O-N 2.77Å; D130-S134 WeakPolarHBondContact O-CB 3.35Å; D130-S134 PolarHBondContact O-N 3.47Å; D130-F142 HydrophobicContact CB-CE1 4.3Å; D130-F142 HydrophobicContact CB-CZ 4.11Å
131L98.4Very high94.8Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-63.1-45.7173.5176.660.8000112L101 V104 A127 R133 S134 L135 F142 L143 Y146L101-L131 HydrophobicContact CD2-CB 4.35Å; L101-L131 HydrophobicContact CD2-CD2 3.86Å; L101-L131 HydrophobicContact CD2-CG 4.29Å; V104-L131 HydrophobicContact CG2-CB 4.32Å; V104-L131 HydrophobicContact CG2-CD2 3.41Å; V104-L131 VanDerWaalsContact CG2-CD2 3.41Å; A127-L131 WeakPolarHBondContact O-CB 3.34Å; A127-L131 PolarHBondContact O-N 3.17Å; L131-R133 PolarHBondContact O-N 3.14Å; L131-S134 PolarHBondContact O-N 2.78Å; L131-L135 HydrophobicContact CD1-CD1 3.82Å; L131-L135 HydrophobicContact CD1-CD2 4.32Å; L131-L135 HydrophobicContact CD1-CG 3.83Å; L131-L135 HydrophobicContact CG-CD1 3.87Å; L131-L135 HydrophobicContact CG-CG 4.3Å; L131-L135 WeakPolarHBondContact O-CB 3.07Å; L131-L135 VanDerWaalsContact O-CG 3.25Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.02Å; L131-F142 HydrophobicContact CB-CD1 4.07Å; L131-F142 HydrophobicContact CB-CE1 4.13Å; L131-F142 HydrophobicContact CD1-CB 4.43Å; L131-F142 HydrophobicContact CD1-CD1 3.72Å; L131-F142 HydrophobicContact CG-CD1 4.5Å; L131-L143 HydrophobicContact CD1-CD2 3.68Å; L131-L143 HydrophobicContact CD1-CG 3.98Å; L131-L143 HydrophobicContact CD2-CD2 3.93Å; L131-L143 HydrophobicContact CG-CD2 4.4Å; L131-Y146 HydrophobicContact CB-CE2 4.36Å; L131-Y146 HydrophobicContact CD2-CD2 4.26Å
132L98.5Very high95.6Very high1 Ų139 Ų391%0.00520%0.201CC..Hα-helixtrans-60-46.3177.8-76.3173.4000111.6L72 L101 S128 R129 S134 L135 Y136 I213 V218 L227L72-L132 HydrophobicContact CD1-CD1 4.26Å; L72-L132 HydrophobicContact CD1-CD2 4.01Å; L101-L132 HydrophobicContact CD1-CD1 4.2Å; L101-L132 HydrophobicContact CD1-CG 4.4Å; L101-L132 HydrophobicContact CD2-CD2 4.41Å; L101-L132 HydrophobicContact CD2-CG 4.11Å; L101-L132 HydrophobicContact CG-CD2 4.47Å; L101-L132 HydrophobicContact CG-CG 4.48Å; S128-L132 WeakPolarHBondContact O-CB 3.35Å; S128-L132 VanDerWaalsContact O-CG 3.27Å; S128-L132 WeakPolarHBondContact O-CG 3.02Å; S128-L132 PolarHBondContact O-N 3.38Å; R129-L132 PolarHBondContact O-N 3.48Å; L132-S134 VanDerWaalsContact C-N 3.32Å; L132-S134 PolarHBondContact O-N 3.24Å; L132-L135 PolarHBondContact O-N 3.42Å; L132-Y136 HydrophobicContact CB-CE2 4.34Å; L132-Y136 WeakPolarHBondContact O-CD2 3.32Å; L132-Y136 PolarHBondContact O-N 3.44Å; L132-I213 HydrophobicContact CD2-CB 4.45Å; L132-I213 HydrophobicContact CD2-CD1 4.01Å; L132-I213 HydrophobicContact CD2-CG2 3.83Å; L132-V218 HydrophobicContact CD1-CG2 4.46Å; L132-L227 HydrophobicContact CB-CD1 3.9Å; L132-L227 HydrophobicContact CD1-CD1 3.8Å
133R97.8Very high96.4Very high90 Ų9032.2 Ų32.234%0.3418%0.176SC..Hα-helixtrans-58-45.7176.6-180-93.9161.7156.2-5.8111.2R129 D130 L131 L135 Y136 D137 L227 L233R129-R133 WeakPolarHBondContact O-CB 3.3Å; R129-R133 PolarHBondContact O-N 3.04Å; D130-R133 PolarHBondContact O-N 2.77Å; L131-R133 PolarHBondContact O-N 3.14Å; R133-L135 PolarHBondContact O-N 2.91Å; R133-Y136 PolarHBondContact O-N 3.17Å; R133-D137 IonicContact CZ-OD2 2.88Å; R133-D137 IonicContact NE-OD2 2.84Å; R133-D137 PolarHBondContact NE-OD2 3.46Å; R133-D137 IonicContact NH2-OD2 3.25Å; R133-D137 PolarHBondContact NH2-OD2 3.23Å; R133-D137 PolarHBondContact O-N 2.93Å; R133-L227 HydrophobicContact CB-CD2 3.73Å; R133-L233 HydrophobicContact CG-CD1 4.4Å
134S98.1Very high96.9Very high8 Ų830.3 Ų30.36%0.05615%0.15CC..Hα-helixtrans-60.7-45.2178.8-166.50000112.2D130 L131 L132 Y136 D137 C138 D139 F142D130-S134 WeakPolarHBondContact O-CB 3.35Å; D130-S134 PolarHBondContact O-N 3.47Å; L131-S134 PolarHBondContact O-N 2.78Å; L132-S134 VanDerWaalsContact C-N 3.32Å; L132-S134 PolarHBondContact O-N 3.24Å; S134-Y136 VanDerWaalsContact C-N 3.35Å; S134-Y136 PolarHBondContact O-N 3.01Å; S134-D137 CarbonylContact O-C 3.44Å; S134-D137 PolarHBondContact O-N 2.86Å; S134-C138 PolarHBondContact O-N 3.33Å; S134-D139 PolarHBondContact O-N 3.09Å; S134-D139 WeakPolarHBondContact OG-CB 3.41Å; S134-D139 PolarHBondContact OG-O 3.24Å; S134-D139 PolarHBondContact OG-OD2 3.45Å; S134-F142 WeakPolarHBondContact OG-CB 3.28Å
135L98.4Very high97.2Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-67.2-33.8-179.7-68.8174.4000112.9L97 P100 L131 L132 R133 D137 C138 L140 L143 I213L97-L135 HydrophobicContact CD1-CB 4.45Å; L97-L135 HydrophobicContact CD1-CD1 4.09Å; L97-L135 HydrophobicContact CD1-CD2 4.07Å; L97-L135 HydrophobicContact CD1-CG 4.44Å; P100-L135 HydrophobicContact CB-CD1 3.58Å; P100-L135 HydrophobicContact CG-CD1 3.67Å; L131-L135 HydrophobicContact CD1-CD1 3.82Å; L131-L135 HydrophobicContact CD1-CD2 4.32Å; L131-L135 HydrophobicContact CD1-CG 3.83Å; L131-L135 HydrophobicContact CG-CD1 3.87Å; L131-L135 HydrophobicContact CG-CG 4.3Å; L131-L135 WeakPolarHBondContact O-CB 3.07Å; L131-L135 VanDerWaalsContact O-CG 3.25Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.02Å; L132-L135 PolarHBondContact O-N 3.42Å; R133-L135 PolarHBondContact O-N 2.91Å; L135-D137 VanDerWaalsContact C-N 3.3Å; L135-C138 WeakPolarHBondContact O-CA 3.38Å; L135-C138 PolarHBondContact O-N 3.24Å; L135-L140 HydrophobicContact CD2-CD1 4.21Å; L135-L140 HydrophobicContact CD2-CG 3.94Å; L135-L143 HydrophobicContact CD1-CD2 4.49Å; L135-L143 HydrophobicContact CD2-CD1 3.88Å; L135-L143 HydrophobicContact CD2-CG 4.01Å; L135-I213 HydrophobicContact CB-CD1 3.72Å; L135-I213 HydrophobicContact CD1-CD1 4.18Å
136Y98.1Very high97.3Very high2 Ų234.3 Ų34.31%0.00817%0.169CC..Hα-helixtrans-69-29.8173.9-72.7-50.9000112.9H70 V71 L72 L132 R133 S134 C138 V211 I213 L233 L235H70-Y136 HydrophobicContact CB-CD1 3.55Å; H70-Y136 HydrophobicContact CB-CE1 3.78Å; H70-Y136 HydrophobicContact CB-CG 3.97Å; H70-Y136 AromaticContact CD2-CD1 3.8Å; H70-Y136 AromaticContact CG-CD1 3.9Å; H70-Y136 PolarHBondContact NE2-O 3.35Å; V71-Y136 PolarHBondContact O-OH 3.42Å; L72-Y136 WeakPolarHBondContact CA-OH 3.5Å; L72-Y136 VanDerWaalsContact CB-OH 3.3Å; L72-Y136 WeakPolarHBondContact CB-OH 3.28Å; L72-Y136 WeakPolarHBondContact CD1-OH 3.43Å; L72-Y136 PolarHBondContact N-OH 3Å; L132-Y136 HydrophobicContact CB-CE2 4.34Å; L132-Y136 WeakPolarHBondContact O-CD2 3.32Å; L132-Y136 PolarHBondContact O-N 3.44Å; R133-Y136 PolarHBondContact O-N 3.17Å; S134-Y136 VanDerWaalsContact C-N 3.35Å; S134-Y136 PolarHBondContact O-N 3.01Å; Y136-C138 PolarHBondContact O-N 3.03Å; Y136-V211 HydrophobicContact CD1-CB 4.04Å; Y136-V211 HydrophobicContact CD1-CG1 3.79Å; Y136-V211 HydrophobicContact CE1-CB 4.49Å; Y136-V211 HydrophobicContact CE1-CG1 4.14Å; Y136-I213 HydrophobicContact CD1-CD1 4Å; Y136-I213 HydrophobicContact CD1-CG1 4.44Å; Y136-I213 HydrophobicContact CE1-CB 4.33Å; Y136-I213 HydrophobicContact CE1-CD1 3.66Å; Y136-I213 HydrophobicContact CE1-CG1 3.76Å; Y136-I213 HydrophobicContact CE2-CD1 4.29Å; Y136-I213 HydrophobicContact CG-CD1 4.46Å; Y136-L233 HydrophobicContact CD2-CD1 4.44Å; Y136-L235 HydrophobicContact CE1-CD1 4.49Å; Y136-L235 HydrophobicContact CE2-CD1 3.78Å
137D95.8Very high97.4Very high62 Ų6232.8 Ų32.833%0.33215%0.153SC..THydrogen-bonded Turntrans-79.18.7168.9-71.3-22.7000112.7R133 S134 L135 D139R133-D137 IonicContact CZ-OD2 2.88Å; R133-D137 IonicContact NE-OD2 2.84Å; R133-D137 PolarHBondContact NE-OD2 3.46Å; R133-D137 IonicContact NH2-OD2 3.25Å; R133-D137 PolarHBondContact NH2-OD2 3.23Å; R133-D137 PolarHBondContact O-N 2.93Å; S134-D137 CarbonylContact O-C 3.44Å; S134-D137 PolarHBondContact O-N 2.86Å; L135-D137 VanDerWaalsContact C-N 3.3Å; D137-D139 PolarHBondContact O-N 3.12Å
138C97.8Very high97.2Very high2 Ų236.8 Ų36.81%0.01417%0.168CC..THydrogen-bonded Turntrans57.125-175.4-660000114.6S134 L135 Y136 L140 T202 C205 R206S134-C138 PolarHBondContact O-N 3.33Å; L135-C138 WeakPolarHBondContact O-CA 3.38Å; L135-C138 PolarHBondContact O-N 3.24Å; Y136-C138 PolarHBondContact O-N 3.03Å; C138-L140 PolarHBondContact O-N 3.04Å; C138-T202 WeakPolarHBondContact O-CG2 3.22Å; C138-C205 WeakPolarHBondContact CA-SG 3.42Å; C138-C205 HydrophobicContact CB-CB 3.6Å; C138-C205 WeakPolarHBondContact CB-SG 3.45Å; C138-C205 WeakPolarHBondContact SG-CB 3.33Å; C138-C205 PolarHBondContact SG-O 3.31Å; C138-C205 CovalentContact SG-SG 2.05Å; C138-C205 PolarHBondContact SG-SG 3.05Å; C138-R206 HydrophobicContact CB-CG 3.8Å
139D97.4Very high97Very high59 Ų5940.8 Ų40.832%0.31619%0.194SC..  trans-88.789169177.111.8000109.6S134 D137 Y141S134-D139 PolarHBondContact O-N 3.09Å; S134-D139 WeakPolarHBondContact OG-CB 3.41Å; S134-D139 PolarHBondContact OG-O 3.24Å; S134-D139 PolarHBondContact OG-OD2 3.45Å; D137-D139 PolarHBondContact O-N 3.12Å; D139-Y141 VanDerWaalsContact C-N 3.34Å; D139-Y141 WeakPolarHBondContact OD1-CB 3.21Å; D139-Y141 WeakPolarHBondContact OD1-CD2 3.25Å; D139-Y141 PolarHBondContact OD1-N 2.94Å
140L97.9Very high96.9Very high0 Ų041.5 Ų41.50%020%0.202CC..  trans-80.4-14.3178.6-81.467.5000112.8F95 L135 C138 F142 L143 A201 C205F95-L140 HydrophobicContact CE1-CD2 4.31Å; F95-L140 HydrophobicContact CZ-CD2 3.98Å; L135-L140 HydrophobicContact CD2-CD1 4.21Å; L135-L140 HydrophobicContact CD2-CG 3.94Å; C138-L140 PolarHBondContact O-N 3.04Å; L140-F142 PolarHBondContact O-N 3.28Å; L140-L143 HydrophobicContact CB-CD1 4.47Å; L140-L143 HydrophobicContact CG-CD1 4.47Å; L140-L143 VanDerWaalsContact O-CB 3.3Å; L140-L143 WeakPolarHBondContact O-CB 3.22Å; L140-L143 PolarHBondContact O-N 2.91Å; L140-L143 VanDerWaalsContact O-N 3.07Å; L140-A201 HydrophobicContact CD2-CB 3.56Å; L140-C205 HydrophobicContact CD1-CB 4.22Å
141Y97.6Very high96.8Very high69 Ų6939 Ų3927%0.27119%0.189SC..G310 helixtrans-62.3-27.2176.2-58.5-70.9000111.5D139 L143 E144 H154 T199 T202D139-Y141 VanDerWaalsContact C-N 3.34Å; D139-Y141 WeakPolarHBondContact OD1-CB 3.21Å; D139-Y141 WeakPolarHBondContact OD1-CD2 3.25Å; D139-Y141 PolarHBondContact OD1-N 2.94Å; Y141-L143 PolarHBondContact O-N 3.32Å; Y141-L143 VanDerWaalsContact O-N 3.08Å; Y141-E144 VanDerWaalsContact O-CB 3.24Å; Y141-E144 WeakPolarHBondContact O-CB 3.13Å; Y141-E144 VanDerWaalsContact O-CG 3.23Å; Y141-E144 WeakPolarHBondContact O-CG 3.33Å; Y141-E144 PolarHBondContact O-N 3.37Å; Y141-H154 HydrophobicContact CD1-CB 4.25Å; Y141-H154 AromaticContact CD1-CE1 3.8Å; Y141-H154 AromaticContact CD1-CG 3.77Å; Y141-H154 AromaticContact CD1-ND1 3.41Å; Y141-H154 WeakPolarHBondContact CD1-ND1 3.36Å; Y141-H154 HydrophobicContact CE1-CB 3.89Å; Y141-H154 AromaticContact CE1-CD2 3.78Å; Y141-H154 AromaticContact CE1-CE1 3.95Å; Y141-H154 AromaticContact CE1-CG 3.49Å; Y141-H154 VanDerWaalsContact CE1-CG 3.49Å; Y141-H154 AromaticContact CE1-ND1 3.62Å; Y141-T199 WeakPolarHBondContact OH-CA 3.48Å; Y141-T199 WeakPolarHBondContact OH-CB 3.39Å; Y141-T199 WeakPolarHBondContact OH-CG2 3.35Å; Y141-T199 PolarHBondContact OH-OG1 3.41Å; Y141-T202 HydrophobicContact CE2-CG2 4.27Å
142F97.3Very high96.6Very high56 Ų5643.7 Ų43.725%0.24622%0.218CC..G310 helixtrans-59-23.3175.5-157.7-92000113.6D130 L131 S134 L140 E144 N145 Y146D130-F142 HydrophobicContact CB-CE1 4.3Å; D130-F142 HydrophobicContact CB-CZ 4.11Å; L131-F142 HydrophobicContact CB-CD1 4.07Å; L131-F142 HydrophobicContact CB-CE1 4.13Å; L131-F142 HydrophobicContact CD1-CB 4.43Å; L131-F142 HydrophobicContact CD1-CD1 3.72Å; L131-F142 HydrophobicContact CG-CD1 4.5Å; S134-F142 WeakPolarHBondContact OG-CB 3.28Å; L140-F142 PolarHBondContact O-N 3.28Å; F142-E144 PolarHBondContact O-N 2.65Å; F142-N145 PolarHBondContact O-ND2 3.29Å; F142-Y146 AromaticContact CD1-CE2 3.94Å; F142-Y146 HydrophobicContact CD1-CE2 3.94Å; F142-Y146 AromaticContact CE1-CE2 3.69Å; F142-Y146 HydrophobicContact CE1-CE2 3.69Å
143L97.3Very high96.5Very high1 Ų150.2 Ų50.21%0.00525%0.252CS..G310 helixtrans-64.6-27.2173.4-73.7164.8000112.9P100 L131 L135 L140 Y141 N145 Y146 I147 L159P100-L143 HydrophobicContact CB-CD2 4.2Å; L131-L143 HydrophobicContact CD1-CD2 3.68Å; L131-L143 HydrophobicContact CD1-CG 3.98Å; L131-L143 HydrophobicContact CD2-CD2 3.93Å; L131-L143 HydrophobicContact CG-CD2 4.4Å; L135-L143 HydrophobicContact CD1-CD2 4.49Å; L135-L143 HydrophobicContact CD2-CD1 3.88Å; L135-L143 HydrophobicContact CD2-CG 4.01Å; L140-L143 HydrophobicContact CB-CD1 4.47Å; L140-L143 HydrophobicContact CG-CD1 4.47Å; L140-L143 VanDerWaalsContact O-CB 3.3Å; L140-L143 WeakPolarHBondContact O-CB 3.22Å; L140-L143 PolarHBondContact O-N 2.91Å; L140-L143 VanDerWaalsContact O-N 3.07Å; Y141-L143 PolarHBondContact O-N 3.32Å; Y141-L143 VanDerWaalsContact O-N 3.08Å; L143-N145 PolarHBondContact O-N 3.46Å; L143-N145 VanDerWaalsContact O-N 3.16Å; L143-Y146 PolarHBondContact O-N 3.25Å; L143-I147 HydrophobicContact CB-CD1 3.86Å; L143-I147 HydrophobicContact CB-CG1 4.37Å; L143-I147 WeakPolarHBondContact O-CG1 3.47Å; L143-I147 PolarHBondContact O-N 3.23Å; L143-L159 HydrophobicContact CD1-CD1 4.16Å
144E97Very high96.4Very high22 Ų2249.7 Ų49.710%0.10325%0.253CS..G310 helixtrans-60.6-28-177.2-61-174.6-172.400112.5Y141 F142 Y146 P151 H154 L198Y141-E144 VanDerWaalsContact O-CB 3.24Å; Y141-E144 WeakPolarHBondContact O-CB 3.13Å; Y141-E144 VanDerWaalsContact O-CG 3.23Å; Y141-E144 WeakPolarHBondContact O-CG 3.33Å; Y141-E144 PolarHBondContact O-N 3.37Å; F142-E144 PolarHBondContact O-N 2.65Å; E144-Y146 PolarHBondContact O-N 2.86Å; E144-P151 HydrophobicContact CB-CG 4.21Å; E144-P151 HydrophobicContact CG-CB 4Å; E144-P151 HydrophobicContact CG-CG 3.86Å; E144-H154 WeakPolarHBondContact OE1-CA 3.4Å; E144-H154 IonicContact OE1-CE1 3.94Å; E144-H154 IonicContact OE1-CG 2.99Å; E144-H154 IonicContact OE1-ND1 3.28Å; E144-H154 PolarHBondContact OE1-ND1 3.1Å; E144-H154 IonicContact OE2-CE1 2.69Å; E144-H154 IonicContact OE2-ND1 3.45Å; E144-H154 PolarHBondContact OE2-ND1 3.12Å; E144-L198 HydrophobicContact CG-CD1 3.57Å; E144-L198 WeakPolarHBondContact OE1-CD1 2.96Å
145N96.3Very high96.3Very high92 Ų9251.7 Ų51.749%0.49227%0.265SS..G310 helixtrans-62.3-25.5174.6-64.2-45.2000112.9F142 L143F142-N145 PolarHBondContact O-ND2 3.29Å; L143-N145 PolarHBondContact O-N 3.46Å; L143-N145 VanDerWaalsContact O-N 3.16Å
146Y96.6Very high96.2Very high30 Ų3052 Ų5212%0.11827%0.267CS..THydrogen-bonded Turntrans-117.5-16.6-172-55.1-71.2000114.1V104 T107 A127 L131 F142 L143 E144V104-Y146 HydrophobicContact CB-CD1 4.44Å; V104-Y146 HydrophobicContact CG1-CE1 4.41Å; V104-Y146 HydrophobicContact CG2-CD1 4.07Å; V104-Y146 HydrophobicContact CG2-CD2 4.01Å; V104-Y146 HydrophobicContact CG2-CE1 4.18Å; V104-Y146 HydrophobicContact CG2-CE2 4.1Å; V104-Y146 HydrophobicContact CG2-CG 3.99Å; T107-Y146 HydrophobicContact CG2-CD1 4.33Å; T107-Y146 PolarHBondContact OG1-O 3.28Å; A127-Y146 HydrophobicContact CB-CE1 4.31Å; L131-Y146 HydrophobicContact CB-CE2 4.36Å; L131-Y146 HydrophobicContact CD2-CD2 4.26Å; F142-Y146 AromaticContact CD1-CE2 3.94Å; F142-Y146 HydrophobicContact CD1-CE2 3.94Å; F142-Y146 AromaticContact CE1-CE2 3.69Å; F142-Y146 HydrophobicContact CE1-CE2 3.69Å; L143-Y146 PolarHBondContact O-N 3.25Å; E144-Y146 PolarHBondContact O-N 2.86Å
147I96Very high95.9Very high0 Ų056.1 Ų56.10%029%0.29CS..SBendtrans-75.6134.8176.5-66.9171.9000109.5L143 P149 P151 T156 R158 L159L143-I147 HydrophobicContact CB-CD1 3.86Å; L143-I147 HydrophobicContact CB-CG1 4.37Å; L143-I147 WeakPolarHBondContact O-CG1 3.47Å; L143-I147 PolarHBondContact O-N 3.23Å; I147-P149 CarbonylContact C-O 3.52Å; I147-P149 CarbonylContact O-C 3.53Å; I147-P151 HydrophobicContact CB-CG 4.06Å; I147-P151 HydrophobicContact CD1-CG 4.34Å; I147-P151 HydrophobicContact CG2-CG 3.99Å; I147-T156 HydrophobicContact CD1-CG2 4.17Å; I147-R158 HydrophobicContact CG2-CB 3.98Å; I147-L159 HydrophobicContact CD1-CD1 4.3Å
148K92.7Very high95.8Very high102 Ų10259.8 Ų59.844%0.44330%0.299SS..SBendtrans-124.6127.8178.3-61-61.8177-161.70110.9Y106Y106-K148 HydrophobicContact CE1-CB 4.17Å; Y106-K148 HydrophobicContact CE1-CG 4.37Å
149P93.8Very high95.7Very high87 Ų8760.4 Ų60.457%0.56530%0.302SS*.SBendcis-62159.7-829.7-36.1000112I147I147-P149 CarbonylContact C-O 3.52Å; I147-P149 CarbonylContact O-C 3.53Å
150Q94Very high95.6Very high124 Ų12460.4 Ų60.458%0.57930%0.299SS*.PPolyproline II helixtrans-60.1133.9179.6-174.2176-4.300109.6
151P96.3Very high95.3Very high12 Ų1263.1 Ų63.18%0.07831%0.309CS..PPolyproline II helixtrans-56141.9175.5-3141.9000112.2E144 I147 T155 T156 L198E144-P151 HydrophobicContact CB-CG 4.21Å; E144-P151 HydrophobicContact CG-CB 4Å; E144-P151 HydrophobicContact CG-CG 3.86Å; I147-P151 HydrophobicContact CB-CG 4.06Å; I147-P151 HydrophobicContact CD1-CG 4.34Å; I147-P151 HydrophobicContact CG2-CG 3.99Å; P151-T155 WeakPolarHBondContact CA-O 3.49Å; P151-T155 WeakPolarHBondContact CB-O 3.48Å; P151-T156 HydrophobicContact CG-CG2 4.46Å; P151-L198 HydrophobicContact CG-CD1 4.44Å
152V94.3Very high95Very high99 Ų9960.4 Ų60.460%0.630%0.299SS*.BIsolated β-bridgetrans-113.2134.3174.6179.20000107.5H154 T155V152-H154 PolarHBondContact O-N 3.38Å; V152-T155 PolarHBondContact N-O 3.3Å; V152-T155 PolarHBondContact O-N 3.12Å; V152-T155 PolarHBondContact O-OG1 2.87Å
153N95.3Very high94.7Very high138 Ų13858.2 Ų58.274%0.73829%0.292SS*.THydrogen-bonded Turntrans51.437.8-174.2-58.2-28.2000112.6T155N153-T155 PolarHBondContact O-N 2.94Å; N153-T155 VanDerWaalsContact O-N 3.15Å
154H96.6Very high94.5Very high78 Ų7858.4 Ų58.436%0.36129%0.294SS..THydrogen-bonded Turntrans58.324-177.3-49.4-56.1000114.5Y141 E144 V152 L198Y141-H154 HydrophobicContact CD1-CB 4.25Å; Y141-H154 AromaticContact CD1-CE1 3.8Å; Y141-H154 AromaticContact CD1-CG 3.77Å; Y141-H154 AromaticContact CD1-ND1 3.41Å; Y141-H154 WeakPolarHBondContact CD1-ND1 3.36Å; Y141-H154 HydrophobicContact CE1-CB 3.89Å; Y141-H154 AromaticContact CE1-CD2 3.78Å; Y141-H154 AromaticContact CE1-CE1 3.95Å; Y141-H154 AromaticContact CE1-CG 3.49Å; Y141-H154 VanDerWaalsContact CE1-CG 3.49Å; Y141-H154 AromaticContact CE1-ND1 3.62Å; E144-H154 WeakPolarHBondContact OE1-CA 3.4Å; E144-H154 IonicContact OE1-CE1 3.94Å; E144-H154 IonicContact OE1-CG 2.99Å; E144-H154 IonicContact OE1-ND1 3.28Å; E144-H154 PolarHBondContact OE1-ND1 3.1Å; E144-H154 IonicContact OE2-CE1 2.69Å; E144-H154 IonicContact OE2-ND1 3.45Å; E144-H154 PolarHBondContact OE2-ND1 3.12Å; V152-H154 PolarHBondContact O-N 3.38Å; H154-L198 HydrophobicContact CB-CB 4.33Å; H154-L198 WeakPolarHBondContact O-CB 3.38Å; H154-L198 WeakPolarHBondContact O-CG 3.41Å; H154-L198 PolarHBondContact O-N 2.59Å
155T96.6Very high94.3Very high50 Ų5057.5 Ų57.531%0.30729%0.29SS..EExtended strand (participates in β ladder)trans-113.6142.5178.764.20000112.9P151 V152 N153 L196 N197P151-T155 WeakPolarHBondContact CA-O 3.49Å; P151-T155 WeakPolarHBondContact CB-O 3.48Å; V152-T155 PolarHBondContact N-O 3.3Å; V152-T155 PolarHBondContact O-N 3.12Å; V152-T155 PolarHBondContact O-OG1 2.87Å; N153-T155 PolarHBondContact O-N 2.94Å; N153-T155 VanDerWaalsContact O-N 3.15Å; T155-L196 CarbonylContact C-O 3.51Å; T155-L196 WeakPolarHBondContact CA-O 3.44Å; T155-N197 HydrophobicContact CG2-CB 4.37Å
156T95.5Very high94.2Very high7 Ų756.8 Ų56.84%0.04328%0.282CS..EExtended strand (participates in β ladder)trans-154.6144.1-179.4-171.30000113.6I147 P151 R158 L159 L196I147-T156 HydrophobicContact CD1-CG2 4.17Å; P151-T156 HydrophobicContact CG-CG2 4.46Å; T156-R158 PolarHBondContact OG1-N 3.26Å; T156-L159 HydrophobicContact CG2-CB 4.34Å; T156-L196 HydrophobicContact CG2-CB 4.44Å; T156-L196 PolarHBondContact N-O 2.86Å; T156-L196 VanDerWaalsContact O-CB 3.32Å; T156-L196 WeakPolarHBondContact O-CB 3.42Å; T156-L196 PolarHBondContact O-N 2.97Å
157D92.9Very high94Very high88 Ų8855.6 Ų55.647%0.47128%0.279SS..SBendtrans-97.7-3.9167.167.3-29.5000112.3T195D157-T195 HydrophobicContact CB-CG2 4.47Å
158R93.6Very high94Very high140 Ų14055.8 Ų55.853%0.52828%0.279SS..  trans-101.85.5-169-60.1-43.5174.2124.5-3115.4H103 I147 T156 F160H103-R158 PolarHBondContact CE1-O 2.83Å; H103-R158 VanDerWaalsContact CE1-O 3.24Å; I147-R158 HydrophobicContact CG2-CB 3.98Å; T156-R158 PolarHBondContact OG1-N 3.26Å; R158-F160 PolarHBondContact O-N 2.79Å
159L94.8Very high93.9Very high14 Ų1451.6 Ų51.67%0.07326%0.263CS..  trans-61.4113.8174.3-179.163.1000110H103 L143 I147 T156 R161 R162 L168 L196H103-L159 WeakPolarHBondContact NE2-CD1 3.47Å; L143-L159 HydrophobicContact CD1-CD1 4.16Å; I147-L159 HydrophobicContact CD1-CD1 4.3Å; T156-L159 HydrophobicContact CG2-CB 4.34Å; L159-R161 PolarHBondContact O-N 2.95Å; L159-R162 HydrophobicContact CB-CB 4.07Å; L159-R162 HydrophobicContact CD2-CB 3.95Å; L159-R162 HydrophobicContact CG-CB 4.06Å; L159-R162 PolarHBondContact O-N 2.6Å; L159-L168 HydrophobicContact CD2-CD1 3.79Å; L159-L196 HydrophobicContact CB-CD2 4.05Å; L159-L196 HydrophobicContact CD2-CD2 3.3Å; L159-L196 HydrophobicContact CG-CD2 4.3Å
160F94.4Very high93.7Very high59 Ų5949.1 Ų49.126%0.25925%0.248SC..THydrogen-bonded Turntrans-51.7122.3-179.3-177.6-109.9000110.9F98 E99 Y102 H103 R158 R162F98-F160 HydrophobicContact CD1-CE1 4.24Å; F98-F160 HydrophobicContact CE1-CE1 4.21Å; E99-F160 HydrophobicContact CB-CD1 4.01Å; E99-F160 HydrophobicContact CB-CE1 3.84Å; Y102-F160 HydrophobicContact CD1-CB 3.56Å; Y102-F160 HydrophobicContact CD1-CD1 4.29Å; Y102-F160 AromaticContact CD1-CD2 3.72Å; Y102-F160 HydrophobicContact CD1-CD2 3.72Å; Y102-F160 HydrophobicContact CD1-CE2 4.49Å; Y102-F160 AromaticContact CD1-CG 3.61Å; Y102-F160 HydrophobicContact CD1-CG 3.61Å; Y102-F160 HydrophobicContact CD2-CD1 4.36Å; Y102-F160 HydrophobicContact CD2-CD2 4.03Å; Y102-F160 HydrophobicContact CD2-CE1 4.3Å; Y102-F160 AromaticContact CD2-CE2 3.99Å; Y102-F160 HydrophobicContact CD2-CE2 3.99Å; Y102-F160 HydrophobicContact CD2-CG 4.22Å; Y102-F160 HydrophobicContact CD2-CZ 4.13Å; Y102-F160 HydrophobicContact CE1-CB 4.22Å; Y102-F160 AromaticContact CE1-CD2 3.83Å; Y102-F160 HydrophobicContact CE1-CD2 3.83Å; Y102-F160 HydrophobicContact CE1-CG 4.19Å; Y102-F160 HydrophobicContact CE2-CD2 4.15Å; Y102-F160 HydrophobicContact CE2-CE2 4.04Å; Y102-F160 HydrophobicContact CG-CB 4Å; Y102-F160 AromaticContact CG-CD1 3.84Å; Y102-F160 HydrophobicContact CG-CD1 3.84Å; Y102-F160 AromaticContact CG-CD2 3.81Å; Y102-F160 HydrophobicContact CG-CD2 3.81Å; Y102-F160 HydrophobicContact CG-CE1 4.22Å; Y102-F160 HydrophobicContact CG-CE2 4.22Å; Y102-F160 AromaticContact CG-CG 3.61Å; Y102-F160 HydrophobicContact CG-CG 3.61Å; Y102-F160 HydrophobicContact CG-CZ 4.41Å; H103-F160 PolarHBondContact NE2-N 2.79Å; R158-F160 PolarHBondContact O-N 2.79Å; F160-R162 PolarHBondContact O-N 2.75Å; F160-R162 VanDerWaalsContact O-N 3.14Å
161R92.3Very high93.5Very high58 Ų5847 Ų4722%0.21924%0.244CC..THydrogen-bonded Turntrans54.931.9174.7-56.5-93.3-62.7159.118.2113.6F98 L159 G163 A164 E186F98-R161 HydrophobicContact CB-CB 4.25Å; F98-R161 HydrophobicContact CD1-CB 3.63Å; F98-R161 HydrophobicContact CD1-CG 3.7Å; F98-R161 HydrophobicContact CE1-CB 4.27Å; F98-R161 HydrophobicContact CE1-CG 3.86Å; F98-R161 VanDerWaalsContact CE1-NE 3.26Å; F98-R161 HydrophobicContact CG-CB 4.13Å; L159-R161 PolarHBondContact O-N 2.95Å; R161-G163 PolarHBondContact O-N 2.88Å; R161-G163 VanDerWaalsContact O-N 3.1Å; R161-A164 HydrophobicContact CB-CB 4.41Å; R161-A164 VanDerWaalsContact O-CB 3.28Å; R161-A164 WeakPolarHBondContact O-CB 3.27Å; R161-A164 PolarHBondContact O-N 3.37Å; R161-E186 WeakPolarHBondContact CA-OE1 3.16Å; R161-E186 WeakPolarHBondContact CD-OE1 3.33Å; R161-E186 VanDerWaalsContact CZ-CD 3.43Å; R161-E186 IonicContact CZ-OE1 3.94Å; R161-E186 IonicContact CZ-OE2 3.15Å; R161-E186 IonicContact NE-OE1 3.78Å; R161-E186 PolarHBondContact NE-OE1 2.95Å; R161-E186 IonicContact NE-OE2 3.26Å; R161-E186 VanDerWaalsContact NH1-CD 3.3Å; R161-E186 IonicContact NH1-OE1 3.7Å; R161-E186 PolarHBondContact NH1-OE1 3.18Å; R161-E186 IonicContact NH1-OE2 3.19Å; R161-E186 PolarHBondContact NH1-OE2 3.09Å; R161-E186 IonicContact NH2-OE1 3.37Å; R161-E186 IonicContact NH2-OE2 3.67Å; R161-E186 PolarHBondContact NH2-OE2 2.91Å
162R92.1Very high93.3Very high11 Ų1148.5 Ų48.54%0.04225%0.254CS..G310 helixtrans-51.2-37.5179.173.9174.7-170.5130.73.1112.9L159 F160 A164 S165 L168 V190 G194L159-R162 HydrophobicContact CB-CB 4.07Å; L159-R162 HydrophobicContact CD2-CB 3.95Å; L159-R162 HydrophobicContact CG-CB 4.06Å; L159-R162 PolarHBondContact O-N 2.6Å; F160-R162 PolarHBondContact O-N 2.75Å; F160-R162 VanDerWaalsContact O-N 3.14Å; R162-A164 PolarHBondContact O-N 2.9Å; R162-A164 VanDerWaalsContact O-N 3.1Å; R162-S165 PolarHBondContact O-N 3.38Å; R162-L168 HydrophobicContact CB-CD1 4.33Å; R162-V190 HydrophobicContact CG-CG2 3.91Å; R162-V190 VanDerWaalsContact NH2-CA 3.29Å; R162-V190 PolarHBondContact NH2-O 2.99Å; R162-G194 PolarHBondContact NH1-O 2.84Å; R162-G194 PolarHBondContact NH2-O 2.76Å
163G91Very high93.2Very high10 Ų1044.6 Ų44.610%0.10323%0.231CC..G310 helixtrans-67.8-9.3-178.800000114.6R161 S165 C169R161-G163 PolarHBondContact O-N 2.88Å; R161-G163 VanDerWaalsContact O-N 3.1Å; G163-S165 VanDerWaalsContact C-N 3.29Å; G163-C169 VanDerWaalsContact CA-SG 3.58Å
164A91.8Very high93Very high6 Ų638.2 Ų38.25%0.0520%0.197CC..G310 helixtrans-81.2-10.4173.900000112.8N89 F98 R161 R162N89-A164 PolarHBondContact ND2-O 2.93Å; N89-A164 VanDerWaalsContact ND2-O 3.12Å; N89-A164 PolarHBondContact OD1-O 3.23Å; F98-A164 HydrophobicContact CB-CB 3.92Å; F98-A164 HydrophobicContact CD2-CB 4.04Å; F98-A164 HydrophobicContact CG-CB 4.1Å; R161-A164 HydrophobicContact CB-CB 4.41Å; R161-A164 VanDerWaalsContact O-CB 3.28Å; R161-A164 WeakPolarHBondContact O-CB 3.27Å; R161-A164 PolarHBondContact O-N 3.37Å; R162-A164 PolarHBondContact O-N 2.9Å; R162-A164 VanDerWaalsContact O-N 3.1Å
165S94.2Very high92.4Very high2 Ų242.3 Ų42.31%0.01422%0.216CC..  trans-98.5120.4175.5179.40000110.2N89 Y96 R162 G163 L168 C169N89-S165 WeakPolarHBondContact OD1-CA 3.32Å; Y96-S165 WeakPolarHBondContact O-CB 3.22Å; Y96-S165 PolarHBondContact O-OG 3.16Å; R162-S165 PolarHBondContact O-N 3.38Å; G163-S165 VanDerWaalsContact C-N 3.29Å; S165-L168 PolarHBondContact O-N 3.18Å; S165-L168 PolarHBondContact OG-N 3Å; S165-C169 PolarHBondContact O-N 3Å; S165-C169 PolarHBondContact O-SG 3.3Å
166K92.6Very high91.4Very high78 Ų7844.1 Ų44.134%0.33923%0.231SC..SBendtrans-65.2-41.4178.3-170.4178.4178.8-176.60111N89 L168 C169 S170N89-K166 PolarHBondContact OD1-N 3.44Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.7Å; K166-C169 CarbonylContact O-C 3.35Å; K166-C169 WeakPolarHBondContact O-CA 3.47Å; K166-C169 PolarHBondContact O-N 3.18Å; K166-S170 WeakPolarHBondContact O-CB 3.48Å; K166-S170 PolarHBondContact O-N 3.05Å; K166-S170 VanDerWaalsContact O-N 3.14Å; K166-S170 PolarHBondContact O-OG 3.37Å
167A94.1Very high90.2Very high5 Ų544.1 Ų44.14%0.04123%0.23CC..G310 helixtrans-60.7-35.3177.700000112.9F95 C169 S170F95-A167 HydrophobicContact CD2-CB 3.58Å; F95-A167 HydrophobicContact CE2-CB 3.9Å; A167-C169 PolarHBondContact O-N 3.46Å; A167-S170 PolarHBondContact O-OG 2.91Å
168L94.5Very high88.6Confident3 Ų342.3 Ų42.32%0.01623%0.233CC..G310 helixtrans-78.2-9.6174.2-58.6-177.6000113.6F95 L97 L159 R162 S165 K166 V173 L196 A201F95-L168 HydrophobicContact CE2-CD2 3.99Å; F95-L168 HydrophobicContact CZ-CD2 3.78Å; F95-L168 HydrophobicContact CZ-CG 4.46Å; L97-L168 HydrophobicContact CD2-CD1 4.08Å; L159-L168 HydrophobicContact CD2-CD1 3.79Å; R162-L168 HydrophobicContact CB-CD1 4.33Å; S165-L168 PolarHBondContact O-N 3.18Å; S165-L168 PolarHBondContact OG-N 3Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.7Å; L168-V173 HydrophobicContact CD2-CG1 4.27Å; L168-L196 HydrophobicContact CD1-CD2 4.46Å; L168-L196 HydrophobicContact CD2-CD1 4.22Å; L168-A201 HydrophobicContact CD2-CB 3.64Å
169C91.6Very high86.8Confident15 Ų1540 Ų4010%0.10124%0.244CC..G310 helixtrans-115.323.5179.9-62.30000111.5G163 S165 K166 A167 L177 C189G163-C169 VanDerWaalsContact CA-SG 3.58Å; S165-C169 PolarHBondContact O-N 3Å; S165-C169 PolarHBondContact O-SG 3.3Å; K166-C169 CarbonylContact O-C 3.35Å; K166-C169 WeakPolarHBondContact O-CA 3.47Å; K166-C169 PolarHBondContact O-N 3.18Å; A167-C169 PolarHBondContact O-N 3.46Å; C169-L177 HydrophobicContact CB-CD1 4.22Å; C169-L177 WeakPolarHBondContact O-CD1 3.39Å; C169-C189 HydrophobicContact CB-CB 3.81Å; C169-C189 WeakPolarHBondContact CB-SG 3.48Å; C169-C189 WeakPolarHBondContact SG-CB 3.34Å; C169-C189 CovalentContact SG-SG 2.02Å; C169-C189 PolarHBondContact SG-SG 2.9Å
170S89.6Confident84.8Confident34 Ų3447.2 Ų47.224%0.23828%0.281CS..SBendtrans-139.2162.2177.860.40000110.3K166 A167 V173 C174K166-S170 WeakPolarHBondContact O-CB 3.48Å; K166-S170 PolarHBondContact O-N 3.05Å; K166-S170 VanDerWaalsContact O-N 3.14Å; K166-S170 PolarHBondContact O-OG 3.37Å; A167-S170 PolarHBondContact O-OG 2.91Å; S170-V173 PolarHBondContact O-N 3.15Å; S170-C174 CarbonylContact C-O 3.34Å; S170-C174 PolarHBondContact O-N 3.24Å
171P89.3Confident83Confident79 Ų7947 Ų4751%0.51328%0.282SS..THydrogen-bonded Turntrans-55.1145.7169.3-25.434.9000111.4C174P171-C174 WeakPolarHBondContact CD-O 3.31Å
172P91.3Very high81.2Confident44 Ų4450 Ų5029%0.28630%0.302SS..THydrogen-bonded Turncis-82.4-8.2-0.234.1-36000114C174P172-C174 VanDerWaalsContact C-N 3.32Å; P172-C174 PolarHBondContact O-N 3.03Å
173V93.5Very high79.5Confident17 Ų1757 Ų5710%0.10334%0.335CS..THydrogen-bonded Turntrans-67.5-34.5-175-172.60000112.1L168 S170 L196 L200 A201L168-V173 HydrophobicContact CD2-CG1 4.27Å; S170-V173 PolarHBondContact O-N 3.15Å; V173-L196 HydrophobicContact CG1-CD1 3.4Å; V173-L200 HydrophobicContact CG2-CB 4.48Å; V173-A201 HydrophobicContact CG1-CB 4.49Å
174C90.7Very high78.2Confident4 Ų459 Ų593%0.02734%0.342CS..  trans-137.9103.2176-1800000111.2S170 P171 P172 C193S170-C174 CarbonylContact C-O 3.34Å; S170-C174 PolarHBondContact O-N 3.24Å; P171-C174 WeakPolarHBondContact CD-O 3.31Å; P172-C174 VanDerWaalsContact C-N 3.32Å; P172-C174 PolarHBondContact O-N 3.03Å; C174-C193 HydrophobicContact CB-CB 3.75Å; C174-C193 WeakPolarHBondContact CB-SG 3.28Å; C174-C193 WeakPolarHBondContact SG-CA 3.19Å; C174-C193 WeakPolarHBondContact SG-CB 3.41Å; C174-C193 CovalentContact SG-SG 2.02Å; C174-C193 PolarHBondContact SG-SG 3.4Å
175E83.8Confident77.1Confident165 Ų16562.4 Ų62.477%0.77136%0.358SS*.THydrogen-bonded Turntrans-78.6-21.8178.3-62.6-169.5165.500113.6L177E175-L177 PolarHBondContact O-N 3.33Å
176S75.8Confident76.3Confident87 Ų8765 Ų6561%0.60837%0.369SS*.THydrogen-bonded Turntrans-68.3-3.5-177.4-49.50000114.1
177L70Confident75.5Confident7 Ų763 Ų634%0.03737%0.37CS..  trans-112.7114.3179.3-64.5177.8000109.4C169 E175 D181 L184 K192 C193C169-L177 HydrophobicContact CB-CD1 4.22Å; C169-L177 WeakPolarHBondContact O-CD1 3.39Å; E175-L177 PolarHBondContact O-N 3.33Å; L177-D181 HydrophobicContact CD2-CB 4.37Å; L177-D181 WeakPolarHBondContact CD2-OD2 3.43Å; L177-L184 HydrophobicContact CB-CD1 4.41Å; L177-L184 HydrophobicContact CD1-CD1 3.39Å; L177-L184 HydrophobicContact CD2-CD1 3.64Å; L177-L184 HydrophobicContact CD2-CD2 3.89Å; L177-L184 HydrophobicContact CD2-CG 4.38Å; L177-L184 HydrophobicContact CG-CD1 3.98Å; L177-K192 HydrophobicContact CD2-CB 3.86Å; L177-K192 HydrophobicContact CD2-CD 3.31Å; L177-K192 HydrophobicContact CD2-CG 4.25Å; L177-C193 WeakPolarHBondContact CD1-SG 3.42Å
178G59.7Low74.9Confident50 Ų5065.6 Ų65.652%0.51538%0.384SS..  trans-88.9177.717700000113.1I180 D181G178-I180 PolarHBondContact O-N 3.13Å; G178-D181 PolarHBondContact O-N 2.77Å; G178-D181 VanDerWaalsContact O-N 3.14Å
179A55Low74.4Confident92 Ų9265.6 Ų65.676%0.7638%0.384SS*.THydrogen-bonded Turntrans-60.6-13.8179.100000114.9L182A179-L182 VanDerWaalsContact O-CD1 3.31Å; A179-L182 WeakPolarHBondContact O-CD1 3.25Å; A179-L182 WeakPolarHBondContact O-CG 3.5Å
180I53.2Low74.1Confident166 Ų16667.8 Ų67.885%0.85140%0.397SS*.THydrogen-bonded Turntrans-83.1-15.9-178.7-57.1172.5000111.6G178 L182G178-I180 PolarHBondContact O-N 3.13Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 2.98Å
181D57.8Low73.9Confident54 Ų5474 Ų7429%0.28942%0.42SS..  trans-89.734.7-177.5-76.5-50.2000113.3L177 G178 H183 L184 K192L177-D181 HydrophobicContact CD2-CB 4.37Å; L177-D181 WeakPolarHBondContact CD2-OD2 3.43Å; G178-D181 PolarHBondContact O-N 2.77Å; G178-D181 VanDerWaalsContact O-N 3.14Å; D181-H183 PolarHBondContact O-N 3.05Å; D181-L184 HydrophobicContact CB-CD1 3.62Å; D181-L184 HydrophobicContact CB-CD2 4.37Å; D181-L184 HydrophobicContact CB-CG 3.85Å; D181-L184 WeakPolarHBondContact O-CD1 3.42Å; D181-L184 PolarHBondContact O-N 3.08Å; D181-K192 VanDerWaalsContact CG-NZ 3.31Å; D181-K192 IonicContact OD1-NZ 2.81Å; D181-K192 PolarHBondContact OD1-NZ 2.92Å; D181-K192 IonicContact OD2-NZ 3.17Å; D181-K192 PolarHBondContact OD2-NZ 2.57Å
182L53.4Low73.8Confident121 Ų12174.9 Ų74.963%0.63442%0.415SS*.THydrogen-bonded Turntrans-57.2-15.4-174.2-83.1152000115.3A179 I180A179-L182 VanDerWaalsContact O-CD1 3.31Å; A179-L182 WeakPolarHBondContact O-CD1 3.25Å; A179-L182 WeakPolarHBondContact O-CG 3.5Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 2.98Å
183H57.3Low73.6Confident159 Ų15973.6 Ų73.674%0.73641%0.407SS*.THydrogen-bonded Turntrans-13457.5179.9-65.3-42.6000112.5D181D181-H183 PolarHBondContact O-N 3.05Å
184L63.7Low73.4Confident50 Ų5074.8 Ų74.826%0.26242%0.423SS..  trans-70.9129.9170.1-75.6145.8000111.6L177 D181 D188 K192L177-L184 HydrophobicContact CB-CD1 4.41Å; L177-L184 HydrophobicContact CD1-CD1 3.39Å; L177-L184 HydrophobicContact CD2-CD1 3.64Å; L177-L184 HydrophobicContact CD2-CD2 3.89Å; L177-L184 HydrophobicContact CD2-CG 4.38Å; L177-L184 HydrophobicContact CG-CD1 3.98Å; D181-L184 HydrophobicContact CB-CD1 3.62Å; D181-L184 HydrophobicContact CB-CD2 4.37Å; D181-L184 HydrophobicContact CB-CG 3.85Å; D181-L184 WeakPolarHBondContact O-CD1 3.42Å; D181-L184 PolarHBondContact O-N 3.08Å; L184-D188 HydrophobicContact CD2-CB 3.74Å; L184-K192 HydrophobicContact CD2-CD 4.01Å
185E69Low73.5Confident79 Ų7978.9 Ų78.937%0.36945%0.448SS..  trans-67.3148.1161.2-65.7-167.9164.100109.6G187 D188 C189 H353E185-G187 PolarHBondContact O-N 3.17Å; E185-D188 PolarHBondContact O-N 3.03Å; E185-C189 PolarHBondContact O-N 2.7Å; E185-H353 IonicContact OE2-NE2 3.52Å
186E77.2Confident74Confident56 Ų5671.1 Ų71.126%0.26241%0.412SS..Hα-helixtrans-49.8-37.7-178.6168176.3-175.600113.2R161 D188 V190R161-E186 WeakPolarHBondContact CA-OE1 3.16Å; R161-E186 WeakPolarHBondContact CD-OE1 3.33Å; R161-E186 VanDerWaalsContact CZ-CD 3.43Å; R161-E186 IonicContact CZ-OE1 3.94Å; R161-E186 IonicContact CZ-OE2 3.15Å; R161-E186 IonicContact NE-OE1 3.78Å; R161-E186 PolarHBondContact NE-OE1 2.95Å; R161-E186 IonicContact NE-OE2 3.26Å; R161-E186 VanDerWaalsContact NH1-CD 3.3Å; R161-E186 IonicContact NH1-OE1 3.7Å; R161-E186 PolarHBondContact NH1-OE1 3.18Å; R161-E186 IonicContact NH1-OE2 3.19Å; R161-E186 PolarHBondContact NH1-OE2 3.09Å; R161-E186 IonicContact NH2-OE1 3.37Å; R161-E186 IonicContact NH2-OE2 3.67Å; R161-E186 PolarHBondContact NH2-OE2 2.91Å; E186-D188 VanDerWaalsContact C-N 3.34Å; E186-V190 WeakPolarHBondContact O-CG2 3.46Å; E186-V190 PolarHBondContact O-N 3.17Å
187G75.8Confident75Confident35 Ų3569.4 Ų69.436%0.36140%0.396SS..Hα-helixtrans-68.6-30.6178.700000113.8E185 V190 K191E185-G187 PolarHBondContact O-N 3.17Å; G187-V190 PolarHBondContact O-N 3.16Å; G187-K191 VanDerWaalsContact O-CG 3.31Å; G187-K191 WeakPolarHBondContact O-CG 3.27Å; G187-K191 PolarHBondContact O-N 3.32Å
188D79.9Confident76.3Confident61 Ų6169 Ų6933%0.32639%0.394SS..Hα-helixtrans-78.8-36.8-178.5-65-27.5000111.4L184 E185 E186 V190 K191 K192L184-D188 HydrophobicContact CD2-CB 3.74Å; E185-D188 PolarHBondContact O-N 3.03Å; E186-D188 VanDerWaalsContact C-N 3.34Å; D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 3.04Å; D188-K191 PolarHBondContact O-N 3.47Å; D188-K192 WeakPolarHBondContact O-CB 3.29Å; D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 2.93Å
189C84.7Confident78.1Confident2 Ų268.5 Ų68.51%0.01438%0.381CS..Hα-helixtrans-55-49168.3165.70000110.7C169 E185 K191 K192 C193C169-C189 HydrophobicContact CB-CB 3.81Å; C169-C189 WeakPolarHBondContact CB-SG 3.48Å; C169-C189 WeakPolarHBondContact SG-CB 3.34Å; C169-C189 CovalentContact SG-SG 2.02Å; C169-C189 PolarHBondContact SG-SG 2.9Å; E185-C189 PolarHBondContact O-N 2.7Å; C189-K191 VanDerWaalsContact C-N 3.29Å; C189-K191 PolarHBondContact O-N 2.77Å; C189-K192 PolarHBondContact O-N 3.18Å; C189-C193 WeakPolarHBondContact O-CB 3.34Å; C189-C193 PolarHBondContact O-N 2.8Å; C189-C193 PolarHBondContact O-SG 2.88Å
190V85.8Confident80.1Confident61 Ų6166.7 Ų66.737%0.3736%0.358SS..Hα-helixtrans-63.4-37.6-176.5176.40000112.1R162 E186 G187 D188R162-V190 HydrophobicContact CG-CG2 3.91Å; R162-V190 VanDerWaalsContact NH2-CA 3.29Å; R162-V190 PolarHBondContact NH2-O 2.99Å; E186-V190 WeakPolarHBondContact O-CG2 3.46Å; E186-V190 PolarHBondContact O-N 3.17Å; G187-V190 PolarHBondContact O-N 3.16Å; D188-V190 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 3.04Å
191K85.5Confident82.3Confident166 Ų16658.8 Ų58.872%0.72232%0.318SS*.Hα-helixtrans-70.7-44.4178.7-70.9169.4-173.1170.30112.3G187 D188 C189G187-K191 VanDerWaalsContact O-CG 3.31Å; G187-K191 WeakPolarHBondContact O-CG 3.27Å; G187-K191 PolarHBondContact O-N 3.32Å; D188-K191 PolarHBondContact O-N 3.47Å; C189-K191 VanDerWaalsContact C-N 3.29Å; C189-K191 PolarHBondContact O-N 2.77Å
192K86.3Confident84.2Confident96 Ų9656.3 Ų56.342%0.41730%0.304SS..Hα-helixtrans-75.3-37.6-176-70.2-179173.1-172.20112.4L177 D181 L184 D188 C189L177-K192 HydrophobicContact CD2-CB 3.86Å; L177-K192 HydrophobicContact CD2-CD 3.31Å; L177-K192 HydrophobicContact CD2-CG 4.25Å; D181-K192 VanDerWaalsContact CG-NZ 3.31Å; D181-K192 IonicContact OD1-NZ 2.81Å; D181-K192 PolarHBondContact OD1-NZ 2.92Å; D181-K192 IonicContact OD2-NZ 3.17Å; D181-K192 PolarHBondContact OD2-NZ 2.57Å; L184-K192 HydrophobicContact CD2-CD 4.01Å; D188-K192 WeakPolarHBondContact O-CB 3.29Å; D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 2.93Å; C189-K192 PolarHBondContact O-N 3.18Å
193C88.2Confident86.3Confident17 Ų1754.7 Ų54.712%0.11529%0.293CS..SBendtrans-85.9-1.5-173.7-61.10000115.5C174 L177 C189 T195C174-C193 HydrophobicContact CB-CB 3.75Å; C174-C193 WeakPolarHBondContact CB-SG 3.28Å; C174-C193 WeakPolarHBondContact SG-CA 3.19Å; C174-C193 WeakPolarHBondContact SG-CB 3.41Å; C174-C193 CovalentContact SG-SG 2.02Å; C174-C193 PolarHBondContact SG-SG 3.4Å; L177-C193 WeakPolarHBondContact CD1-SG 3.42Å; C189-C193 WeakPolarHBondContact O-CB 3.34Å; C189-C193 PolarHBondContact O-N 2.8Å; C189-C193 PolarHBondContact O-SG 2.88Å; C193-T195 PolarHBondContact O-N 2.88Å
194G88.1Confident88.2Confident43 Ų4347.1 Ų47.144%0.44326%0.259SS..  trans59.8-137.4175.900000114.4R162R162-G194 PolarHBondContact NH1-O 2.84Å; R162-G194 PolarHBondContact NH2-O 2.76Å
195T92.8Very high89.8Confident90 Ų9044.8 Ų44.855%0.55225%0.246SC*.SBendtrans-78.2143.7176.847.20000111.4D157 C193D157-T195 HydrophobicContact CB-CG2 4.47Å; C193-T195 PolarHBondContact O-N 2.88Å
196L95.3Very high91.2Very high1 Ų148.3 Ų48.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-81.4129.1174.1177.766.8000110.1T155 T156 L159 L168 V173 L198 A201T155-L196 CarbonylContact C-O 3.51Å; T155-L196 WeakPolarHBondContact CA-O 3.44Å; T156-L196 HydrophobicContact CG2-CB 4.44Å; T156-L196 PolarHBondContact N-O 2.86Å; T156-L196 VanDerWaalsContact O-CB 3.32Å; T156-L196 WeakPolarHBondContact O-CB 3.42Å; T156-L196 PolarHBondContact O-N 2.97Å; L159-L196 HydrophobicContact CB-CD2 4.05Å; L159-L196 HydrophobicContact CD2-CD2 3.3Å; L159-L196 HydrophobicContact CG-CD2 4.3Å; L168-L196 HydrophobicContact CD1-CD2 4.46Å; L168-L196 HydrophobicContact CD2-CD1 4.22Å; V173-L196 HydrophobicContact CG1-CD1 3.4Å; L196-L198 HydrophobicContact CD2-CD2 3.99Å; L196-L198 HydrophobicContact CG-CD2 4.45Å; L196-A201 HydrophobicContact CD1-CB 4.4Å
197N96.6Very high92.1Very high51 Ų5152.3 Ų52.327%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-93.4116168.4-174-29.1000110T155 T199 L200 A201T155-N197 HydrophobicContact CG2-CB 4.37Å; N197-T199 VanDerWaalsContact C-N 3.29Å; N197-T199 PolarHBondContact O-N 3.12Å; N197-T199 WeakPolarHBondContact OD1-CA 3.42Å; N197-T199 VanDerWaalsContact OD1-CB 3.24Å; N197-T199 WeakPolarHBondContact OD1-CB 3.41Å; N197-T199 PolarHBondContact OD1-N 3.23Å; N197-L200 HydrophobicContact CB-CB 4.36Å; N197-L200 HydrophobicContact CB-CD1 4.08Å; N197-L200 HydrophobicContact CB-CG 4.19Å; N197-L200 PolarHBondContact O-N 3.22Å; N197-L200 PolarHBondContact OD1-N 2.89Å; N197-A201 PolarHBondContact O-N 3.39Å; N197-A201 VanDerWaalsContact O-N 3.11Å
198L97.4Very high93.1Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-70.8-23.5-178.2-64.8175.3000112.8E144 P151 H154 L196 T202E144-L198 HydrophobicContact CG-CD1 3.57Å; E144-L198 WeakPolarHBondContact OE1-CD1 2.96Å; P151-L198 HydrophobicContact CG-CD1 4.44Å; H154-L198 HydrophobicContact CB-CB 4.33Å; H154-L198 WeakPolarHBondContact O-CB 3.38Å; H154-L198 WeakPolarHBondContact O-CG 3.41Å; H154-L198 PolarHBondContact O-N 2.59Å; L196-L198 HydrophobicContact CD2-CD2 3.99Å; L196-L198 HydrophobicContact CG-CD2 4.45Å; L198-T202 WeakPolarHBondContact O-CB 3.17Å; L198-T202 PolarHBondContact O-N 3.28Å; L198-T202 PolarHBondContact O-OG1 2.6Å
199T97.7Very high93.8Very high39 Ų3950.1 Ų50.124%0.23926%0.259CS..Hα-helixtrans-65.7-52.1172.7-57.80000110.6Y141 N197 A201 T202 E203Y141-T199 WeakPolarHBondContact OH-CA 3.48Å; Y141-T199 WeakPolarHBondContact OH-CB 3.39Å; Y141-T199 WeakPolarHBondContact OH-CG2 3.35Å; Y141-T199 PolarHBondContact OH-OG1 3.41Å; N197-T199 VanDerWaalsContact C-N 3.29Å; N197-T199 PolarHBondContact O-N 3.12Å; N197-T199 WeakPolarHBondContact OD1-CA 3.42Å; N197-T199 VanDerWaalsContact OD1-CB 3.24Å; N197-T199 WeakPolarHBondContact OD1-CB 3.41Å; N197-T199 PolarHBondContact OD1-N 3.23Å; T199-A201 VanDerWaalsContact C-N 3.27Å; T199-A201 PolarHBondContact O-N 3.25Å; T199-T202 WeakPolarHBondContact O-CB 3.48Å; T199-T202 PolarHBondContact O-N 3.04Å; T199-T202 VanDerWaalsContact O-N 3.08Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.18Å
200L97.4Very high94.5Very high54 Ų5451.1 Ų51.128%0.28326%0.263SS..Hα-helixtrans-62-37177-63.8177.8000111.7V173 N197 E203 S204V173-L200 HydrophobicContact CG2-CB 4.48Å; N197-L200 HydrophobicContact CB-CB 4.36Å; N197-L200 HydrophobicContact CB-CD1 4.08Å; N197-L200 HydrophobicContact CB-CG 4.19Å; N197-L200 PolarHBondContact O-N 3.22Å; N197-L200 PolarHBondContact OD1-N 2.89Å; L200-E203 PolarHBondContact O-N 3.02Å; L200-S204 WeakPolarHBondContact O-CB 3.36Å; L200-S204 PolarHBondContact O-N 2.69Å
201A97.8Very high95.1Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-65.9-37.1175.200000112.7L140 L168 V173 L196 N197 T199 C205L140-A201 HydrophobicContact CD2-CB 3.56Å; L168-A201 HydrophobicContact CD2-CB 3.64Å; V173-A201 HydrophobicContact CG1-CB 4.49Å; L196-A201 HydrophobicContact CD1-CB 4.4Å; N197-A201 PolarHBondContact O-N 3.39Å; N197-A201 VanDerWaalsContact O-N 3.11Å; T199-A201 VanDerWaalsContact C-N 3.27Å; T199-A201 PolarHBondContact O-N 3.25Å; A201-C205 WeakPolarHBondContact O-CB 3.29Å; A201-C205 PolarHBondContact O-N 3.14Å
202T98.3Very high95.7Very high2 Ų240.3 Ų40.31%0.01221%0.211CC..Hα-helixtrans-64.1-46.2174.4-62.80000110.7C138 Y141 L198 T199 C205 R206C138-T202 WeakPolarHBondContact O-CG2 3.22Å; Y141-T202 HydrophobicContact CE2-CG2 4.27Å; L198-T202 WeakPolarHBondContact O-CB 3.17Å; L198-T202 PolarHBondContact O-N 3.28Å; L198-T202 PolarHBondContact O-OG1 2.6Å; T199-T202 WeakPolarHBondContact O-CB 3.48Å; T199-T202 PolarHBondContact O-N 3.04Å; T199-T202 VanDerWaalsContact O-N 3.08Å; T202-C205 PolarHBondContact O-N 3.49Å; T202-R206 WeakPolarHBondContact O-CG 3.33Å; T202-R206 PolarHBondContact O-N 3.04Å
203E97.7Very high96.3Very high86 Ų8635.8 Ų35.840%0.40219%0.191SC..Hα-helixtrans-61-48.7175.8-70.2168.217700111.2T199 L200 C205 R206 E207T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.18Å; L200-E203 PolarHBondContact O-N 3.02Å; E203-C205 VanDerWaalsContact C-N 3.34Å; E203-C205 PolarHBondContact O-N 3.36Å; E203-R206 WeakPolarHBondContact O-CA 3.5Å; E203-R206 WeakPolarHBondContact O-CB 3.18Å; E203-R206 PolarHBondContact O-N 2.68Å; E203-E207 WeakPolarHBondContact O-CG 3.23Å; E203-E207 PolarHBondContact O-N 3.31Å
204S97.3Very high96.8Very high1 Ų135.1 Ų35.11%0.00719%0.187CC..Hα-helixtrans-56.4-45.3175.5-1760000111.9L200 R206 E207 H208L200-S204 WeakPolarHBondContact O-CB 3.36Å; L200-S204 PolarHBondContact O-N 2.69Å; S204-R206 VanDerWaalsContact C-N 3.29Å; S204-R206 PolarHBondContact O-N 3.23Å; S204-E207 PolarHBondContact O-N 3.42Å; S204-H208 PolarHBondContact O-N 3.04Å; S204-H208 PolarHBondContact O-ND1 2.71Å; S204-H208 PolarHBondContact OG-CE1 3.09Å
205C98.1Very high97.2Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-59.2-39.1175-1780000112.6K68 F95 C138 L140 A201 T202 E203 E207 H208K68-C205 PolarHBondContact NZ-O 2.99Å; F95-C205 HydrophobicContact CD1-CB 3.8Å; F95-C205 HydrophobicContact CD2-CB 3.86Å; F95-C205 HydrophobicContact CE1-CB 3.83Å; F95-C205 HydrophobicContact CE2-CB 3.9Å; F95-C205 HydrophobicContact CG-CB 3.8Å; F95-C205 HydrophobicContact CZ-CB 3.88Å; C138-C205 WeakPolarHBondContact CA-SG 3.42Å; C138-C205 HydrophobicContact CB-CB 3.6Å; C138-C205 WeakPolarHBondContact CB-SG 3.45Å; C138-C205 WeakPolarHBondContact SG-CB 3.33Å; C138-C205 PolarHBondContact SG-O 3.31Å; C138-C205 CovalentContact SG-SG 2.05Å; C138-C205 PolarHBondContact SG-SG 3.05Å; L140-C205 HydrophobicContact CD1-CB 4.22Å; A201-C205 WeakPolarHBondContact O-CB 3.29Å; A201-C205 PolarHBondContact O-N 3.14Å; T202-C205 PolarHBondContact O-N 3.49Å; E203-C205 VanDerWaalsContact C-N 3.34Å; E203-C205 PolarHBondContact O-N 3.36Å; C205-E207 VanDerWaalsContact C-N 3.31Å; C205-E207 PolarHBondContact O-N 2.96Å; C205-H208 PolarHBondContact O-N 3.23Å
206R96.9Very high97.3Very high154 Ų15429.6 Ų29.658%0.58114%0.144SC*.Hα-helixtrans-67.5-32.3178.4-71.8172.3-180173.51.7112.3K68 C138 T202 E203 S204K68-R206 PolarHBondContact NZ-O 3.01Å; C138-R206 HydrophobicContact CB-CG 3.8Å; T202-R206 WeakPolarHBondContact O-CG 3.33Å; T202-R206 PolarHBondContact O-N 3.04Å; E203-R206 WeakPolarHBondContact O-CA 3.5Å; E203-R206 WeakPolarHBondContact O-CB 3.18Å; E203-R206 PolarHBondContact O-N 2.68Å; S204-R206 VanDerWaalsContact C-N 3.29Å; S204-R206 PolarHBondContact O-N 3.23Å
207E96.1Very high97.2Very high140 Ų14030.8 Ų30.865%0.65415%0.149SC*.Hα-helixtrans-72.4-33.1177.5-69.5176165.800113.5E203 S204 C205E203-E207 WeakPolarHBondContact O-CG 3.23Å; E203-E207 PolarHBondContact O-N 3.31Å; S204-E207 PolarHBondContact O-N 3.42Å; C205-E207 VanDerWaalsContact C-N 3.31Å; C205-E207 PolarHBondContact O-N 2.96Å
208H96.4Very high97.2Very high29 Ų2928.8 Ų28.813%0.13414%0.138CC..SBendtrans-74.6137.1179.6-70.374.2000112K68 F92 F95 S204 C205 H210K68-H208 PolarHBondContact NZ-O 3.49Å; F92-H208 PolarHBondContact O-CD2 3.12Å; F95-H208 HydrophobicContact CB-CB 3.93Å; S204-H208 PolarHBondContact O-N 3.04Å; S204-H208 PolarHBondContact O-ND1 2.71Å; S204-H208 PolarHBondContact OG-CE1 3.09Å; C205-H208 PolarHBondContact O-N 3.23Å; H208-H210 PolarHBondContact O-N 3.47Å
209G96.1Very high96.9Very high20 Ų2029.6 Ų29.621%0.20614%0.144CC..SBendtrans-65.7-20.8178.400000114.5K68 D93K68-G209 WeakPolarHBondContact CA-O 3.46Å; K68-G209 WeakPolarHBondContact CB-O 3.43Å; K68-G209 VanDerWaalsContact CG-O 3.27Å; K68-G209 WeakPolarHBondContact CG-O 3.33Å; D93-G209 VanDerWaalsContact CG-N 3.25Å; D93-G209 PolarHBondContact O-N 2.67Å; D93-G209 PolarHBondContact OD1-N 2.95Å; D93-G209 WeakPolarHBondContact OD2-CA 3.4Å; D93-G209 PolarHBondContact OD2-N 2.82Å
210H98Very high96.8Very high24 Ų2428.6 Ų28.611%0.11114%0.136CC..EExtended strand (participates in β ladder)trans-139.4154.9-175.2-55.9-43000112.7T69 D93 V94 F95 H208 I330T69-H210 PolarHBondContact N-ND1 2.93Å; D93-H210 PolarHBondContact O-N 2.86Å; V94-H210 HydrophobicContact CG2-CB 3.94Å; F95-H210 PolarHBondContact N-O 2.76Å; H208-H210 PolarHBondContact O-N 3.47Å; H210-I330 HydrophobicContact CB-CD1 4.31Å
211V98.5Very high96.8Very high0 Ų026 Ų260%012%0.123CC..EExtended strand (participates in β ladder)trans-127.3123177.7-177.60000109.8T69 H70 V71 F95 Y136 I213T69-V211 PolarHBondContact O-N 3.36Å; H70-V211 WeakPolarHBondContact CA-O 3.2Å; V71-V211 PolarHBondContact N-O 3.45Å; F95-V211 HydrophobicContact CD1-CG1 4.49Å; F95-V211 WeakPolarHBondContact O-CA 3.37Å; Y136-V211 HydrophobicContact CD1-CB 4.04Å; Y136-V211 HydrophobicContact CD1-CG1 3.79Å; Y136-V211 HydrophobicContact CE1-CB 4.49Å; Y136-V211 HydrophobicContact CE1-CG1 4.14Å; V211-I213 HydrophobicContact CG1-CD1 4.5Å; V211-I213 HydrophobicContact CG1-CG1 4.22Å
212A98.7Very high96.8Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-118.2122.317900000111.2V71 F88 V94 F95 Y96 L97V71-A212 HydrophobicContact CB-CB 4.11Å; V71-A212 CarbonylContact O-C 3.53Å; V71-A212 WeakPolarHBondContact O-CA 3.2Å; F88-A212 HydrophobicContact CB-CB 3.84Å; F88-A212 HydrophobicContact CD1-CB 4.22Å; F88-A212 HydrophobicContact CG-CB 3.98Å; V94-A212 HydrophobicContact CG1-CB 3.56Å; F95-A212 PolarHBondContact O-N 3.13Å; Y96-A212 CarbonylContact C-O 3.46Å; Y96-A212 VanDerWaalsContact CA-O 3.3Å; Y96-A212 WeakPolarHBondContact CA-O 3.39Å; Y96-A212 HydrophobicContact CD2-CB 4.09Å; Y96-A212 WeakPolarHBondContact CD2-O 3.47Å; L97-A212 PolarHBondContact N-O 2.97Å
213I98.8Very high96.7Very high0 Ų030 Ų300%015%0.147CC..EExtended strand (participates in β ladder)trans-118124.6179.3-57.3-178.9000109.3V71 L72 I73 L97 P100 L132 L135 Y136 V211V71-I213 PolarHBondContact O-N 2.84Å; L72-I213 WeakPolarHBondContact CA-O 3.09Å; L72-I213 HydrophobicContact CD1-CB 4.29Å; L72-I213 HydrophobicContact CD1-CG2 4.36Å; I73-I213 PolarHBondContact N-O 3.06Å; L97-I213 HydrophobicContact CB-CG1 4.33Å; L97-I213 HydrophobicContact CD1-CG1 4.5Å; P100-I213 HydrophobicContact CG-CG2 3.55Å; L132-I213 HydrophobicContact CD2-CB 4.45Å; L132-I213 HydrophobicContact CD2-CD1 4.01Å; L132-I213 HydrophobicContact CD2-CG2 3.83Å; L135-I213 HydrophobicContact CB-CD1 3.72Å; L135-I213 HydrophobicContact CD1-CD1 4.18Å; Y136-I213 HydrophobicContact CD1-CD1 4Å; Y136-I213 HydrophobicContact CD1-CG1 4.44Å; Y136-I213 HydrophobicContact CE1-CB 4.33Å; Y136-I213 HydrophobicContact CE1-CD1 3.66Å; Y136-I213 HydrophobicContact CE1-CG1 3.76Å; Y136-I213 HydrophobicContact CE2-CD1 4.29Å; Y136-I213 HydrophobicContact CG-CD1 4.46Å; V211-I213 HydrophobicContact CG1-CD1 4.5Å; V211-I213 HydrophobicContact CG1-CG1 4.22Å
214K98.4Very high96.7Very high4 Ų426 Ų262%0.01713%0.128CC..EExtended strand (participates in β ladder)trans-97.7130.5171.3-177.8-86.7-119.91750110.8I73 S81 Y96 L97 F98 E99I73-K214 HydrophobicContact CB-CB 4.12Å; I73-K214 HydrophobicContact CB-CG 4.14Å; I73-K214 HydrophobicContact CD1-CB 4.04Å; I73-K214 HydrophobicContact CG2-CG 4.12Å; S81-K214 VanDerWaalsContact OG-CE 3.29Å; S81-K214 WeakPolarHBondContact OG-CE 3.46Å; Y96-K214 HydrophobicContact CE2-CB 3.89Å; Y96-K214 WeakPolarHBondContact OH-CB 3.3Å; L97-K214 PolarHBondContact O-N 3.02Å; F98-K214 VanDerWaalsContact CE2-NZ 3.31Å; E99-K214 WeakPolarHBondContact CA-O 3.41Å; E99-K214 HydrophobicContact CG-CD 3.77Å; E99-K214 PolarHBondContact N-O 2.8Å; E99-K214 IonicContact OE1-NZ 3.57Å; E99-K214 PolarHBondContact OE1-NZ 2.77Å
215T97.3Very high96.7Very high0 Ų031.9 Ų31.90%015%0.151CC..EExtended strand (participates in β ladder)trans-140.5151.6176-169.60000113L72 I73 A75 L101 R217 V218L72-T215 HydrophobicContact CD1-CG2 3.94Å; L72-T215 HydrophobicContact CG-CG2 4.47Å; I73-T215 PolarHBondContact O-N 2.84Å; A75-T215 PolarHBondContact N-O 2.91Å; A75-T215 VanDerWaalsContact N-O 3.11Å; L101-T215 HydrophobicContact CD1-CG2 4.43Å; L101-T215 WeakPolarHBondContact CD1-OG1 3.36Å; T215-R217 PolarHBondContact OG1-N 2.93Å; T215-V218 HydrophobicContact CG2-CB 4.4Å; T215-V218 HydrophobicContact CG2-CG2 3.97Å
216V95.4Very high96.6Very high17 Ų1734.6 Ų34.610%0.10317%0.173CC..SBendtrans-121.712.2172.5-56.90000113A75 E99A75-V216 HydrophobicContact CB-CG1 4.21Å; A75-V216 VanDerWaalsContact O-CA 3.23Å; A75-V216 WeakPolarHBondContact O-CA 3.45Å; E99-V216 WeakPolarHBondContact OE1-CG1 3.33Å; E99-V216 VanDerWaalsContact OE1-CG2 3.25Å; E99-V216 WeakPolarHBondContact OE1-CG2 3.37Å
217R93.4Very high96.6Very high26 Ų2627.6 Ų27.610%0.09815%0.147CC..  trans-110-4.5-171.3-68.3175-179.177.813113.8E99 L101 Y102 T215E99-R217 IonicContact OE2-CZ 2.67Å; E99-R217 IonicContact OE2-NH1 2.79Å; E99-R217 PolarHBondContact OE2-NH1 3.41Å; E99-R217 IonicContact OE2-NH2 3.78Å; E99-R217 PolarHBondContact OE2-NH2 3.13Å; L101-R217 HydrophobicContact CB-CB 4.05Å; L101-R217 HydrophobicContact CD1-CB 4.33Å; L101-R217 WeakPolarHBondContact O-CD 3.42Å; Y102-R217 VanDerWaalsContact CA-CZ 3.48Å; Y102-R217 VanDerWaalsContact CA-NE 3.33Å; T215-R217 PolarHBondContact OG1-N 2.93Å
218V94.9Very high96.7Very high8 Ų821 Ų215%0.04812%0.116CC..  trans-91.9121.4167.7179.10000107.1L74 L101 L132 T215 D223 L224L74-V218 HydrophobicContact CD1-CB 3.68Å; L74-V218 HydrophobicContact CD1-CG1 3.89Å; L74-V218 WeakPolarHBondContact CD1-O 3.29Å; L101-V218 HydrophobicContact CD1-CG2 3.81Å; L132-V218 HydrophobicContact CD1-CG2 4.46Å; T215-V218 HydrophobicContact CG2-CB 4.4Å; T215-V218 HydrophobicContact CG2-CG2 3.97Å; V218-D223 HydrophobicContact CG1-CB 4.01Å; V218-L224 HydrophobicContact CG1-CD2 3.84Å; V218-L224 HydrophobicContact CG1-CG 3.96Å; V218-L224 HydrophobicContact CG2-CD2 4.23Å
219P92.6Very high96.7Very high18 Ų1823.9 Ų23.912%0.11713%0.13CC..  trans-63.7-55-178.3-20.531.4000113.8R121 D223R121-P219 HydrophobicContact CB-CG 4.43Å; R121-P219 VanDerWaalsContact NH2-CA 3.33Å; P219-D223 WeakPolarHBondContact CD-OD2 3.3Å
220E95.4Very high96.7Very high18 Ų1824 Ų248%0.08413%0.125CC..  trans-133.9158-169.1-62.3174-163.400111.6S222 D223 N289E220-S222 WeakPolarHBondContact CB-OG 3.41Å; E220-S222 PolarHBondContact O-N 3.23Å; E220-S222 PolarHBondContact OE2-OG 2.83Å; E220-S222 VanDerWaalsContact OE2-OG 3.08Å; E220-D223 PolarHBondContact N-OD2 3.23Å; E220-D223 VanDerWaalsContact N-OD2 3.09Å; E220-D223 WeakPolarHBondContact O-CB 3.17Å; E220-D223 PolarHBondContact O-N 3.01Å; E220-N289 VanDerWaalsContact CD-CB 3.44Å; E220-N289 HydrophobicContact CG-CB 4.12Å; E220-N289 PolarHBondContact OE1-ND2 3.05Å; E220-N289 WeakPolarHBondContact OE2-CB 3.46Å
221V96.9Very high96.5Very high0 Ų026.3 Ų26.30%014%0.143CC..G310 helixtrans-62.7-29.7175.2730000112.1L74 D223 L224 V237 S290 T293 W300 L301 Y305L74-V221 HydrophobicContact CD2-CB 4.05Å; V221-D223 PolarHBondContact O-N 3.44Å; V221-L224 WeakPolarHBondContact O-CB 3.45Å; V221-L224 PolarHBondContact O-N 3.13Å; V221-V237 HydrophobicContact CG2-CG1 4.39Å; V221-S290 VanDerWaalsContact CB-OG 3.28Å; V221-S290 WeakPolarHBondContact CB-OG 3.5Å; V221-S290 WeakPolarHBondContact CG1-O 3.41Å; V221-S290 WeakPolarHBondContact CG1-OG 3.49Å; V221-S290 PolarHBondContact N-OG 2.96Å; V221-T293 HydrophobicContact CG1-CG2 3.64Å; V221-W300 HydrophobicContact CG2-CH2 4.3Å; V221-W300 WeakPolarHBondContact O-CH2 3.27Å; V221-L301 HydrophobicContact CG1-CD1 4.49Å; V221-L301 HydrophobicContact CG2-CD1 4.15Å; V221-L301 HydrophobicContact CG2-CD2 4.23Å; V221-Y305 HydrophobicContact CB-CE2 4.38Å; V221-Y305 HydrophobicContact CG2-CD2 3.86Å; V221-Y305 HydrophobicContact CG2-CE2 3.83Å
222S96.8Very high96.2Very high43 Ų4331.9 Ų31.930%0.30116%0.164SC..G310 helixtrans-59.8-33.9177.356.60000112.2E220 L224 R225E220-S222 WeakPolarHBondContact CB-OG 3.41Å; E220-S222 PolarHBondContact O-N 3.23Å; E220-S222 PolarHBondContact OE2-OG 2.83Å; E220-S222 VanDerWaalsContact OE2-OG 3.08Å; S222-L224 PolarHBondContact O-N 2.79Å; S222-R225 WeakPolarHBondContact O-CB 3.31Å; S222-R225 PolarHBondContact O-N 3.29Å
223D96.6Very high96.1Very high41 Ų4132.1 Ų32.122%0.21917%0.165CC..G310 helixtrans-67.2-15.8176.7-61.7-46.7000113L125 V218 P219 E220 V221L125-D223 HydrophobicContact CD1-CB 4.28Å; L125-D223 WeakPolarHBondContact CD1-OD1 3.49Å; L125-D223 HydrophobicContact CD2-CB 4.05Å; V218-D223 HydrophobicContact CG1-CB 4.01Å; P219-D223 WeakPolarHBondContact CD-OD2 3.3Å; E220-D223 PolarHBondContact N-OD2 3.23Å; E220-D223 VanDerWaalsContact N-OD2 3.09Å; E220-D223 WeakPolarHBondContact O-CB 3.17Å; E220-D223 PolarHBondContact O-N 3.01Å; V221-D223 PolarHBondContact O-N 3.44Å
224L97.3Very high96Very high3 Ų334.1 Ų34.12%0.01618%0.176CC..G310 helixtrans-92-5.3179.9-60.9170.4000113.4L72 L74 V218 V221 S222 A226 L227 V228 V237L72-L224 HydrophobicContact CD2-CD1 3.33Å; L72-L224 HydrophobicContact CD2-CD2 3.48Å; L72-L224 VanDerWaalsContact CD2-CD2 3.48Å; L72-L224 HydrophobicContact CD2-CG 4.04Å; L74-L224 HydrophobicContact CD1-CD1 4.48Å; L74-L224 HydrophobicContact CD2-CD1 4.08Å; V218-L224 HydrophobicContact CG1-CD2 3.84Å; V218-L224 HydrophobicContact CG1-CG 3.96Å; V218-L224 HydrophobicContact CG2-CD2 4.23Å; V221-L224 WeakPolarHBondContact O-CB 3.45Å; V221-L224 PolarHBondContact O-N 3.13Å; S222-L224 PolarHBondContact O-N 2.79Å; L224-A226 VanDerWaalsContact C-N 3.28Å; L224-A226 PolarHBondContact O-N 3.33Å; L224-A226 VanDerWaalsContact O-N 3.15Å; L224-L227 HydrophobicContact CD2-CD1 4.17Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 2.95Å; L224-V228 HydrophobicContact CB-CG2 4.19Å; L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.36Å; L224-V237 HydrophobicContact CD1-CG1 3.96Å; L224-V237 HydrophobicContact CD1-CG2 4.05Å
225R97.6Very high96Very high125 Ų12533.9 Ų33.947%0.47218%0.175SC..Hα-helixtrans-49-48.1-172.1176.9172.7-179.91669.6113S222 L227 V228 E229 W300S222-R225 WeakPolarHBondContact O-CB 3.31Å; S222-R225 PolarHBondContact O-N 3.29Å; R225-L227 VanDerWaalsContact C-N 3.28Å; R225-L227 PolarHBondContact O-N 2.71Å; R225-V228 PolarHBondContact O-N 2.84Å; R225-E229 HydrophobicContact CG-CG 4.36Å; R225-E229 WeakPolarHBondContact CG-OE2 3.49Å; R225-E229 IonicContact CZ-OE1 2.76Å; R225-E229 IonicContact CZ-OE2 3.94Å; R225-E229 IonicContact NE-OE1 3.08Å; R225-E229 PolarHBondContact NE-OE1 3.42Å; R225-E229 IonicContact NE-OE2 3.85Å; R225-E229 PolarHBondContact NE-OE2 2.96Å; R225-E229 IonicContact NH2-OE1 3.28Å; R225-E229 PolarHBondContact NH2-OE1 3.04Å; R225-E229 VanDerWaalsContact NH2-OE1 3.13Å; R225-E229 IonicContact NH2-OE2 3.17Å; R225-E229 WeakPolarHBondContact O-CB 3.48Å; R225-E229 PolarHBondContact O-N 2.92Å; R225-W300 HydrophobicContact CB-CD2 4.45Å; R225-W300 HydrophobicContact CB-CE3 4.24Å; R225-W300 HydrophobicContact CB-CH2 4.21Å; R225-W300 HydrophobicContact CB-CZ2 4.41Å; R225-W300 HydrophobicContact CB-CZ3 4.08Å; R225-W300 HydrophobicContact CG-CD2 4.04Å; R225-W300 HydrophobicContact CG-CE3 4.16Å; R225-W300 HydrophobicContact CG-CG 4.41Å
226A96.9Very high96Very high57 Ų5735.4 Ų35.447%0.47118%0.181SC..Hα-helixtrans-62.5-31.2-179.900000113.8L224 D230L224-A226 VanDerWaalsContact C-N 3.28Å; L224-A226 PolarHBondContact O-N 3.33Å; L224-A226 VanDerWaalsContact O-N 3.15Å; A226-D230 PolarHBondContact O-N 3.46Å
227L97.1Very high96.2Very high7 Ų734.6 Ų34.64%0.03718%0.176CC..Hα-helixtrans-77.4-39.1174.7-72.2169.7000111.8R129 L132 R133 L224 R225 D230 L233 L235R129-L227 HydrophobicContact CG-CD1 4.21Å; R129-L227 HydrophobicContact CG-CD2 3.88Å; R129-L227 HydrophobicContact CG-CG 3.78Å; L132-L227 HydrophobicContact CB-CD1 3.9Å; L132-L227 HydrophobicContact CD1-CD1 3.8Å; R133-L227 HydrophobicContact CB-CD2 3.73Å; L224-L227 HydrophobicContact CD2-CD1 4.17Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 2.95Å; R225-L227 VanDerWaalsContact C-N 3.28Å; R225-L227 PolarHBondContact O-N 2.71Å; L227-D230 WeakPolarHBondContact O-CB 3.47Å; L227-D230 PolarHBondContact O-N 2.92Å; L227-L233 HydrophobicContact CD2-CD1 4.06Å; L227-L235 HydrophobicContact CB-CD2 3.68Å
228V97.6Very high96.4Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-70.5-35.3-178.3178.60000111.2L224 R225 D230 L235 V237 W300 L301 K304L224-V228 HydrophobicContact CB-CG2 4.19Å; L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.36Å; R225-V228 PolarHBondContact O-N 2.84Å; V228-D230 VanDerWaalsContact C-N 3.34Å; V228-L235 HydrophobicContact CG2-CD2 3.92Å; V228-L235 HydrophobicContact CG2-CG 4.45Å; V228-V237 HydrophobicContact CG2-CG2 3.87Å; V228-W300 HydrophobicContact CB-CE3 3.92Å; V228-W300 HydrophobicContact CB-CZ3 4.08Å; V228-W300 HydrophobicContact CG1-CE3 3.87Å; V228-W300 HydrophobicContact CG1-CZ3 4.28Å; V228-W300 WeakPolarHBondContact CG1-O 3.09Å; V228-W300 HydrophobicContact CG2-CE3 4.46Å; V228-W300 HydrophobicContact CG2-CZ3 4.12Å; V228-L301 HydrophobicContact CG1-CD2 4.22Å; V228-K304 HydrophobicContact CG1-CB 4.06Å; V228-K304 HydrophobicContact CG1-CD 3.49Å; V228-K304 VanDerWaalsContact CG1-CD 3.49Å; V228-K304 HydrophobicContact CG1-CG 4.43Å; V228-K304 PolarHBondContact O-NZ 3.38Å
229E96.4Very high96.6Very high91 Ų9133.2 Ų33.243%0.42517%0.171SC..SBendtrans-79.9-9.8176.1-70.8-179134.900113.4R225 P231 W300R225-E229 HydrophobicContact CG-CG 4.36Å; R225-E229 WeakPolarHBondContact CG-OE2 3.49Å; R225-E229 IonicContact CZ-OE1 2.76Å; R225-E229 IonicContact CZ-OE2 3.94Å; R225-E229 IonicContact NE-OE1 3.08Å; R225-E229 PolarHBondContact NE-OE1 3.42Å; R225-E229 IonicContact NE-OE2 3.85Å; R225-E229 PolarHBondContact NE-OE2 2.96Å; R225-E229 IonicContact NH2-OE1 3.28Å; R225-E229 PolarHBondContact NH2-OE1 3.04Å; R225-E229 VanDerWaalsContact NH2-OE1 3.13Å; R225-E229 IonicContact NH2-OE2 3.17Å; R225-E229 WeakPolarHBondContact O-CB 3.48Å; R225-E229 PolarHBondContact O-N 2.92Å; E229-P231 VanDerWaalsContact O-CD 3.31Å; E229-P231 WeakPolarHBondContact O-CD 3.35Å; E229-W300 HydrophobicContact CG-CB 3.64Å; E229-W300 HydrophobicContact CG-CG 4.48Å; E229-W300 WeakPolarHBondContact OE1-CB 3.48Å
230D96.2Very high96.8Very high21 Ų2132.4 Ų32.411%0.11217%0.165CC..  trans-66.7115.2178.4-169-29.3000110.5A226 L227 V228 R232 L233A226-D230 PolarHBondContact O-N 3.46Å; L227-D230 WeakPolarHBondContact O-CB 3.47Å; L227-D230 PolarHBondContact O-N 2.92Å; V228-D230 VanDerWaalsContact C-N 3.34Å; D230-R232 PolarHBondContact O-N 3.11Å; D230-R232 VanDerWaalsContact O-N 3.13Å; D230-R232 VanDerWaalsContact OD1-CB 3.29Å; D230-R232 WeakPolarHBondContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.22Å; D230-R232 IonicContact OD1-CZ 2.69Å; D230-R232 PolarHBondContact OD1-N 2.61Å; D230-R232 IonicContact OD1-NE 3.92Å; D230-R232 PolarHBondContact OD1-NE 3.28Å; D230-R232 IonicContact OD1-NH2 3.88Å; D230-R232 IonicContact OD2-CZ 2.84Å; D230-R232 IonicContact OD2-NE 3.95Å; D230-R232 PolarHBondContact OD2-NE 3.04Å; D230-R232 IonicContact OD2-NH2 3.03Å; D230-R232 PolarHBondContact OD2-NH2 2.8Å; D230-L233 HydrophobicContact CB-CB 4.49Å; D230-L233 HydrophobicContact CB-CD1 4.27Å; D230-L233 HydrophobicContact CB-CG 4.29Å; D230-L233 PolarHBondContact O-N 3.29Å
231P93.9Very high96.9Very high73 Ų7331.5 Ų31.547%0.47416%0.161SC..THydrogen-bonded Turntrans-68.3-14.1-175.629-36.3000113.4E229 L233E229-P231 VanDerWaalsContact O-CD 3.31Å; E229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-L233 VanDerWaalsContact C-N 3.28Å
232R92.9Very high97Very high117 Ų11732.2 Ų32.244%0.44216%0.164SC..THydrogen-bonded Turntrans-77.8-19176-57.8171.7-65.9178.23.9111.9D230D230-R232 PolarHBondContact O-N 3.11Å; D230-R232 VanDerWaalsContact O-N 3.13Å; D230-R232 VanDerWaalsContact OD1-CB 3.29Å; D230-R232 WeakPolarHBondContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.22Å; D230-R232 IonicContact OD1-CZ 2.69Å; D230-R232 PolarHBondContact OD1-N 2.61Å; D230-R232 IonicContact OD1-NE 3.92Å; D230-R232 PolarHBondContact OD1-NE 3.28Å; D230-R232 IonicContact OD1-NH2 3.88Å; D230-R232 IonicContact OD2-CZ 2.84Å; D230-R232 IonicContact OD2-NE 3.95Å; D230-R232 PolarHBondContact OD2-NE 3.04Å; D230-R232 IonicContact OD2-NH2 3.03Å; D230-R232 PolarHBondContact OD2-NH2 2.8Å
233L95.6Very high97Very high5 Ų530.3 Ų30.33%0.02615%0.15CC..  trans-107.9121.8-177.5-59.4-179.2000111R133 Y136 L227 D230 P231 L235R133-L233 HydrophobicContact CG-CD1 4.4Å; Y136-L233 HydrophobicContact CD2-CD1 4.44Å; L227-L233 HydrophobicContact CD2-CD1 4.06Å; D230-L233 HydrophobicContact CB-CB 4.49Å; D230-L233 HydrophobicContact CB-CD1 4.27Å; D230-L233 HydrophobicContact CB-CG 4.29Å; D230-L233 PolarHBondContact O-N 3.29Å; P231-L233 VanDerWaalsContact C-N 3.28Å; L233-L235 HydrophobicContact CB-CB 4.2Å; L233-L235 PolarHBondContact O-N 3.05Å
234N96.6Very high97.1Very high42 Ų4228.4 Ų28.423%0.22514%0.14CC..EExtended strand (participates in β ladder)trans-80.663.9160.7-17717000110.3K68 H70K68-N234 WeakPolarHBondContact O-CB 3.33Å; H70-N234 PolarHBondContact N-O 3.35Å; H70-N234 PolarHBondContact ND1-N 3.43Å; H70-N234 VanDerWaalsContact ND1-N 3.17Å
235L97.9Very high97.1Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-84.5124.4-175.4-17861.9000112.3H70 L72 Y136 L227 V228 L233 V237H70-L235 HydrophobicContact CB-CB 4.48Å; H70-L235 HydrophobicContact CB-CD1 4.01Å; H70-L235 CarbonylContact O-C 3.43Å; H70-L235 WeakPolarHBondContact O-CA 3.3Å; L72-L235 HydrophobicContact CB-CD1 4.09Å; Y136-L235 HydrophobicContact CE1-CD1 4.49Å; Y136-L235 HydrophobicContact CE2-CD1 3.78Å; L227-L235 HydrophobicContact CB-CD2 3.68Å; V228-L235 HydrophobicContact CG2-CD2 3.92Å; V228-L235 HydrophobicContact CG2-CG 4.45Å; L233-L235 HydrophobicContact CB-CB 4.2Å; L233-L235 PolarHBondContact O-N 3.05Å; L235-V237 HydrophobicContact CG-CG2 4.42Å
236K98.3Very high97.1Very high32 Ų3222.3 Ų22.314%0.13912%0.117CC..EExtended strand (participates in β ladder)trans-114.7134.2168.5-63.9-173172.9-177.10110.1T69 H70 V71 L72 K304 F327 L328T69-K236 HydrophobicContact CG2-CD 4.19Å; T69-K236 HydrophobicContact CG2-CG 4.49Å; H70-K236 PolarHBondContact O-N 3.37Å; V71-K236 WeakPolarHBondContact CA-O 3.42Å; L72-K236 PolarHBondContact N-O 3.42Å; K236-K304 CarbonylContact C-O 3.57Å; K236-K304 WeakPolarHBondContact CA-O 3.31Å; K236-F327 HydrophobicContact CB-CE1 4.05Å; K236-F327 HydrophobicContact CB-CZ 4.25Å; K236-F327 HydrophobicContact CD-CE1 4.17Å; K236-F327 HydrophobicContact CD-CZ 4.22Å; K236-F327 HydrophobicContact CG-CZ 4.44Å; K236-F327 PolarHBondContact NZ-O 2.98Å; K236-L328 HydrophobicContact CB-CD2 3.68Å; K236-L328 HydrophobicContact CD-CD2 3.67Å; K236-L328 HydrophobicContact CG-CD2 4.28Å; K236-L328 PolarHBondContact NZ-O 3.49Å
237V98.6Very high97.1Very high0 Ų019.8 Ų19.80%010%0.096CC..EExtended strand (participates in β ladder)trans-108.2122-178.1-177.10000109.5L72 L74 V221 L224 V228 L235 K304 Y305 M306L72-V237 HydrophobicContact CB-CG2 4.46Å; L72-V237 WeakPolarHBondContact O-CA 3.28Å; L74-V237 HydrophobicContact CB-CG1 4.04Å; L74-V237 HydrophobicContact CD2-CG1 4.47Å; V221-V237 HydrophobicContact CG2-CG1 4.39Å; L224-V237 HydrophobicContact CD1-CG1 3.96Å; L224-V237 HydrophobicContact CD1-CG2 4.05Å; V228-V237 HydrophobicContact CG2-CG2 3.87Å; L235-V237 HydrophobicContact CG-CG2 4.42Å; V237-K304 PolarHBondContact N-O 2.64Å; V237-Y305 HydrophobicContact CB-CD2 4.33Å; V237-Y305 HydrophobicContact CG1-CD2 4.33Å; V237-Y305 WeakPolarHBondContact O-CA 3.47Å; V237-M306 PolarHBondContact O-N 3.22Å
238I98.6Very high97.1Very high1 Ų119.7 Ų19.71%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-102.7104.6169.4-60.3170.1000107V71 L72 I73 L74 F88 M306 V308 I324 F327 L328V71-I238 HydrophobicContact CG1-CD1 3.77Å; V71-I238 HydrophobicContact CG1-CG1 4.35Å; L72-I238 PolarHBondContact O-N 3.22Å; I73-I238 WeakPolarHBondContact CA-O 3.25Å; L74-I238 PolarHBondContact N-O 2.83Å; F88-I238 HydrophobicContact CE1-CD1 4.48Å; F88-I238 HydrophobicContact CE2-CD1 4.03Å; F88-I238 HydrophobicContact CZ-CD1 3.47Å; F88-I238 VanDerWaalsContact CZ-CD1 3.47Å; I238-M306 CarbonylContact C-O 3.59Å; I238-M306 WeakPolarHBondContact CA-O 3.46Å; I238-V308 HydrophobicContact CG2-CB 4.33Å; I238-V308 HydrophobicContact CG2-CG2 3.7Å; I238-I324 HydrophobicContact CD1-CG2 3.62Å; I238-F327 HydrophobicContact CG1-CE1 4.49Å; I238-L328 HydrophobicContact CD1-CD1 4.13Å; I238-L328 HydrophobicContact CD1-CD2 4.35Å; I238-L328 HydrophobicContact CD1-CG 4.5Å
239Q98.3Very high97.1Very high4 Ų420 Ų202%0.01910%0.097CC..EExtended strand (participates in β ladder)trans-85.7115.9174.5-177.3179-17.800109.7L74 V241 S290 Y305 M306 L307 V308L74-Q239 HydrophobicContact CD2-CB 4.49Å; L74-Q239 HydrophobicContact CD2-CG 4.23Å; L74-Q239 WeakPolarHBondContact O-CA 3.04Å; Q239-V241 HydrophobicContact CG-CG1 4.32Å; Q239-S290 VanDerWaalsContact NE2-CB 3.33Å; Q239-S290 PolarHBondContact NE2-OG 3.16Å; Q239-S290 VanDerWaalsContact NE2-OG 3.13Å; Q239-S290 PolarHBondContact OE1-OG 2.78Å; Q239-Y305 HydrophobicContact CB-CE2 3.6Å; Q239-Y305 PolarHBondContact OE1-OH 3.43Å; Q239-M306 PolarHBondContact N-O 3.31Å; Q239-L307 HydrophobicContact CB-CD1 4.2Å; Q239-L307 HydrophobicContact CG-CD1 4.11Å; Q239-V308 PolarHBondContact O-N 3.12Å
240L98.1Very high97Very high0 Ų016.2 Ų16.20%08%0.081CC..EExtended strand (participates in β ladder)trans-93.2119.7175.3-17566.8000110.8L74 A75 S81 V84 V308L74-L240 PolarHBondContact O-N 3.33Å; A75-L240 HydrophobicContact CB-CB 4.23Å; S81-L240 VanDerWaalsContact N-CD2 3.26Å; V84-L240 HydrophobicContact CB-CD2 4.47Å; V84-L240 HydrophobicContact CG2-CD1 3.98Å; V84-L240 HydrophobicContact CG2-CD2 3.79Å; V84-L240 HydrophobicContact CG2-CG 4.48Å; L240-V308 WeakPolarHBondContact CA-O 3.31Å; L240-V308 HydrophobicContact CD1-CB 4.3Å; L240-V308 HydrophobicContact CD1-CG1 4.07Å; L240-V308 WeakPolarHBondContact CD1-O 3.42Å
241V97.9Very high97Very high0 Ų016.1 Ų16.10%08%0.079CC..EExtended strand (participates in β ladder)trans-112.4156.6172.6-63.70000111Q239 F287 V291 L307 V308 R309 Y310 L391Q239-V241 HydrophobicContact CG-CG1 4.32Å; V241-F287 HydrophobicContact CB-CE2 4.36Å; V241-F287 HydrophobicContact CB-CZ 4.38Å; V241-F287 HydrophobicContact CG1-CD1 4.19Å; V241-F287 HydrophobicContact CG1-CE1 4.2Å; V241-F287 HydrophobicContact CG1-CG 4.33Å; V241-F287 HydrophobicContact CG1-CZ 4.39Å; V241-V291 HydrophobicContact CG1-CG2 3.9Å; V241-L307 HydrophobicContact CB-CD1 4.34Å; V241-L307 HydrophobicContact CG1-CD1 3.63Å; V241-L307 HydrophobicContact CG2-CD1 3.79Å; V241-L307 HydrophobicContact CG2-CG 4.43Å; V241-V308 PolarHBondContact N-O 3.29Å; V241-R309 HydrophobicContact CG2-CB 4.09Å; V241-R309 HydrophobicContact CG2-CG 4.34Å; V241-Y310 WeakPolarHBondContact O-CB 3.36Å; V241-Y310 PolarHBondContact O-N 3.29Å; V241-L391 HydrophobicContact CB-CD1 3.93Å; V241-L391 HydrophobicContact CB-CD2 4.39Å; V241-L391 HydrophobicContact CG1-CD1 4.36Å; V241-L391 HydrophobicContact CG2-CD1 4.05Å; V241-L391 HydrophobicContact CG2-CD2 3.81Å
242R97.7Very high97Very high15 Ų1513.2 Ų13.26%0.0576%0.061CC..  trans-150.5154.3179.7179.6175.9-175178.610.3109.2R78 P244 I247 F287 Y310 E311 Y393R78-R242 WeakPolarHBondContact O-CD 3.36Å; R78-R242 PolarHBondContact O-NH1 3.33Å; R242-P244 VanDerWaalsContact O-CD 3.28Å; R242-P244 WeakPolarHBondContact O-CD 3.45Å; R242-P244 VanDerWaalsContact O-N 3.15Å; R242-I247 HydrophobicContact CB-CD1 4.06Å; R242-I247 HydrophobicContact CB-CG1 4.06Å; R242-I247 HydrophobicContact CG-CG1 4.06Å; R242-F287 WeakPolarHBondContact O-CE2 3.41Å; R242-Y310 HydrophobicContact CB-CG 4.34Å; R242-Y310 HydrophobicContact CG-CD1 3.68Å; R242-Y310 HydrophobicContact CG-CG 3.99Å; R242-E311 WeakPolarHBondContact CG-OE1 3.36Å; R242-Y393 WeakPolarHBondContact CA-OH 3.42Å
243D98.1Very high96.9Very high2 Ų212.5 Ų12.51%0.0116%0.062CC..  trans-52.6119.2174.7-169.8-40.3000110.8R245 G246 I247 E311 Y393D243-R245 PolarHBondContact O-N 2.74Å; D243-R245 WeakPolarHBondContact OD1-CA 3.46Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 WeakPolarHBondContact OD1-CG 3.35Å; D243-R245 IonicContact OD1-CZ 3.42Å; D243-R245 PolarHBondContact OD1-N 2.96Å; D243-R245 IonicContact OD1-NE 3.73Å; D243-R245 PolarHBondContact OD1-NE 2.83Å; D243-R245 IonicContact OD1-NH2 3.13Å; D243-R245 IonicContact OD2-CZ 3.8Å; D243-R245 VanDerWaalsContact OD2-CZ 3.28Å; D243-R245 IonicContact OD2-NE 3.33Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 VanDerWaalsContact OD2-NE 3.08Å; D243-R245 IonicContact OD2-NH2 3.74Å; D243-R245 PolarHBondContact OD2-NH2 3.26Å; D243-G246 CarbonylContact O-C 3.6Å; D243-G246 WeakPolarHBondContact O-CA 3.41Å; D243-G246 PolarHBondContact O-N 3.26Å; D243-I247 PolarHBondContact O-N 3.04Å; D243-E311 WeakPolarHBondContact CB-OE1 3.43Å; D243-E311 PolarHBondContact N-OE1 2.9Å; D243-Y393 HydrophobicContact CB-CD1 4.18Å; D243-Y393 HydrophobicContact CB-CE1 3.86Å; D243-Y393 HydrophobicContact CB-CE2 4.23Å; D243-Y393 VanDerWaalsContact N-CZ 3.35Å; D243-Y393 PolarHBondContact N-OH 3.34Å
244P98.1Very high96.6Very high1 Ų112.9 Ų12.91%0.0067%0.065CC..Hα-helixtrans-54.3-31.7177.2-28.936.1000114.1R242 I247 L248 L280 C384 V387 L388R242-P244 VanDerWaalsContact O-CD 3.28Å; R242-P244 WeakPolarHBondContact O-CD 3.45Å; R242-P244 VanDerWaalsContact O-N 3.15Å; P244-I247 PolarHBondContact O-N 3.09Å; P244-L248 WeakPolarHBondContact O-CB 3.31Å; P244-L248 PolarHBondContact O-N 2.88Å; P244-L280 HydrophobicContact CB-CD1 4.48Å; P244-C384 HydrophobicContact CB-CB 4.33Å; P244-C384 HydrophobicContact CG-CB 4.34Å; P244-V387 HydrophobicContact CG-CG1 4.15Å; P244-L388 HydrophobicContact CG-CD2 4.32Å
245R98Very high96.4Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-65.2-43.2174-56.9169-73-167.41.2110.4D243 L248 A249 W368 L372 T380 K394D243-R245 PolarHBondContact O-N 2.74Å; D243-R245 WeakPolarHBondContact OD1-CA 3.46Å; D243-R245 WeakPolarHBondContact OD1-CB 3.41Å; D243-R245 WeakPolarHBondContact OD1-CG 3.35Å; D243-R245 IonicContact OD1-CZ 3.42Å; D243-R245 PolarHBondContact OD1-N 2.96Å; D243-R245 IonicContact OD1-NE 3.73Å; D243-R245 PolarHBondContact OD1-NE 2.83Å; D243-R245 IonicContact OD1-NH2 3.13Å; D243-R245 IonicContact OD2-CZ 3.8Å; D243-R245 VanDerWaalsContact OD2-CZ 3.28Å; D243-R245 IonicContact OD2-NE 3.33Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 VanDerWaalsContact OD2-NE 3.08Å; D243-R245 IonicContact OD2-NH2 3.74Å; D243-R245 PolarHBondContact OD2-NH2 3.26Å; R245-L248 PolarHBondContact O-N 2.84Å; R245-A249 WeakPolarHBondContact O-CB 3.46Å; R245-A249 PolarHBondContact O-N 3.19Å; R245-W368 HydrophobicContact CB-CD2 4.01Å; R245-W368 HydrophobicContact CB-CE3 3.62Å; R245-W368 HydrophobicContact CB-CH2 4.07Å; R245-W368 HydrophobicContact CB-CZ2 4.39Å; R245-W368 HydrophobicContact CB-CZ3 3.66Å; R245-W368 HydrophobicContact CG-CH2 4.4Å; R245-W368 HydrophobicContact CG-CZ3 4.2Å; R245-W368 VanDerWaalsContact CZ-CH2 3.46Å; R245-W368 VanDerWaalsContact NE-CH2 3.29Å; R245-L372 WeakPolarHBondContact O-CD1 3.38Å; R245-T380 HydrophobicContact CB-CG2 4.42Å; R245-T380 HydrophobicContact CG-CG2 3.66Å; R245-K394 PolarHBondContact NH1-O 3.48Å; R245-K394 PolarHBondContact NH2-O 3.19Å
246G97.1Very high96.1Very high1 Ų119.8 Ų19.81%0.019%0.09CC..Hα-helixtrans-63.5-39.6173.600000113.6D243 S250D243-G246 CarbonylContact O-C 3.6Å; D243-G246 WeakPolarHBondContact O-CA 3.41Å; D243-G246 PolarHBondContact O-N 3.26Å; G246-S250 VanDerWaalsContact O-CB 3.3Å; G246-S250 WeakPolarHBondContact O-CB 3.36Å; G246-S250 PolarHBondContact O-N 3.28Å
247I97.2Very high95.7Very high4 Ų425.4 Ų25.42%0.02112%0.121CC..Hα-helixtrans-63.4-50.3174.2-65.9169.6000110.1T76 R242 D243 P244 S250 R251 V283 F287T76-I247 HydrophobicContact CG2-CD1 3.73Å; R242-I247 HydrophobicContact CB-CD1 4.06Å; R242-I247 HydrophobicContact CB-CG1 4.06Å; R242-I247 HydrophobicContact CG-CG1 4.06Å; D243-I247 PolarHBondContact O-N 3.04Å; P244-I247 PolarHBondContact O-N 3.09Å; I247-S250 PolarHBondContact O-N 2.86Å; I247-R251 HydrophobicContact CG2-CG 4.13Å; I247-R251 WeakPolarHBondContact O-CB 3.14Å; I247-R251 WeakPolarHBondContact O-CG 3.33Å; I247-R251 PolarHBondContact O-N 3.33Å; I247-V283 HydrophobicContact CD1-CG1 3.95Å; I247-F287 HydrophobicContact CD1-CE2 3.69Å; I247-F287 HydrophobicContact CD1-CZ 3.96Å
248L97.3Very high95.3Very high5 Ų528 Ų283%0.02614%0.137CC..Hα-helixtrans-57.4-52.5179.617861.4000111.1P244 R245 S250 R251 S252 Y259 W262 L372 I376 T380P244-L248 WeakPolarHBondContact O-CB 3.31Å; P244-L248 PolarHBondContact O-N 2.88Å; R245-L248 PolarHBondContact O-N 2.84Å; L248-S250 PolarHBondContact O-N 2.77Å; L248-R251 PolarHBondContact O-N 3.3Å; L248-S252 WeakPolarHBondContact O-CB 3.49Å; L248-S252 PolarHBondContact O-N 3.11Å; L248-S252 PolarHBondContact O-OG 3.32Å; L248-S252 VanDerWaalsContact O-OG 3.09Å; L248-Y259 HydrophobicContact CD1-CD1 4.02Å; L248-Y259 HydrophobicContact CD1-CE1 3.75Å; L248-W262 HydrophobicContact CD1-CD2 3.91Å; L248-W262 HydrophobicContact CD1-CE3 4.08Å; L248-W262 HydrophobicContact CD1-CG 4.33Å; L248-W262 HydrophobicContact CD1-CH2 4.5Å; L248-W262 HydrophobicContact CD1-CZ2 4.37Å; L248-W262 HydrophobicContact CD1-CZ3 4.38Å; L248-W262 HydrophobicContact CD2-CE3 3.9Å; L248-W262 HydrophobicContact CD2-CH2 4.12Å; L248-W262 HydrophobicContact CD2-CZ3 3.66Å; L248-W262 HydrophobicContact CG-CE3 4.5Å; L248-L372 HydrophobicContact CD2-CD1 4.49Å; L248-I376 HydrophobicContact CD2-CG2 3.76Å; L248-T380 WeakPolarHBondContact CD2-OG1 3.33Å
249A96.6Very high95Very high6 Ų628.2 Ų28.25%0.0514%0.138CC..Hα-helixtrans-54.5-44.217700000111.8R245 E253 W368 R371 L372R245-A249 WeakPolarHBondContact O-CB 3.46Å; R245-A249 PolarHBondContact O-N 3.19Å; A249-E253 PolarHBondContact O-N 2.88Å; A249-W368 HydrophobicContact CB-CB 3.58Å; A249-R371 HydrophobicContact CB-CB 4.4Å; A249-L372 HydrophobicContact CB-CD1 3.8Å; A249-L372 HydrophobicContact CB-CD2 4.1Å; A249-L372 HydrophobicContact CB-CG 3.75Å
250S94.9Very high94.8Very high12 Ų1235.3 Ų35.38%0.08417%0.165CC..Hα-helixtrans-72.3-35.1-178.1-170.50000113.3R78 G246 I247 L248 T254R78-S250 VanDerWaalsContact CZ-OG 3.22Å; R78-S250 PolarHBondContact NE-OG 3.28Å; R78-S250 PolarHBondContact NH2-OG 3.01Å; G246-S250 VanDerWaalsContact O-CB 3.3Å; G246-S250 WeakPolarHBondContact O-CB 3.36Å; G246-S250 PolarHBondContact O-N 3.28Å; I247-S250 PolarHBondContact O-N 2.86Å; L248-S250 PolarHBondContact O-N 2.77Å; S250-T254 WeakPolarHBondContact O-CB 3.4Å; S250-T254 PolarHBondContact O-N 3.23Å; S250-T254 VanDerWaalsContact O-N 3.16Å; S250-T254 PolarHBondContact O-OG1 3.31Å
251R94.8Very high94.7Very high18 Ų1837.2 Ų37.27%0.06818%0.175CC..Hα-helixtrans-72.5-40.4177.3-73-173.7-178.2176.62.1111T76 T77 R78 I247 L248 E253 T254 F255 Y259T76-R251 PolarHBondContact OG1-NH2 3.08Å; T77-R251 PolarHBondContact O-NE 2.98Å; T77-R251 PolarHBondContact O-NH2 2.93Å; R78-R251 HydrophobicContact CB-CG 4.1Å; R78-R251 HydrophobicContact CG-CG 3.66Å; I247-R251 HydrophobicContact CG2-CG 4.13Å; I247-R251 WeakPolarHBondContact O-CB 3.14Å; I247-R251 WeakPolarHBondContact O-CG 3.33Å; I247-R251 PolarHBondContact O-N 3.33Å; L248-R251 PolarHBondContact O-N 3.3Å; R251-E253 VanDerWaalsContact C-N 3.27Å; R251-E253 PolarHBondContact O-N 3.01Å; R251-T254 PolarHBondContact O-N 3.41Å; R251-T254 VanDerWaalsContact O-N 3.11Å; R251-F255 HydrophobicContact CB-CD2 4.1Å; R251-F255 HydrophobicContact CG-CD2 4.2Å; R251-F255 HydrophobicContact CG-CE2 4.19Å; R251-F255 PolarHBondContact O-N 3.18Å; R251-Y259 HydrophobicContact CB-CD2 4.11Å; R251-Y259 HydrophobicContact CB-CE1 4.09Å; R251-Y259 HydrophobicContact CB-CE2 3.57Å; R251-Y259 WeakPolarHBondContact CD-OH 3.47Å; R251-Y259 HydrophobicContact CG-CE2 4.41Å
252S94.3Very high94.6Very high12 Ų1237.8 Ų37.88%0.08418%0.177CC..Hα-helixtrans-56-40.9174.5-66.60000112.8L248 R263L248-S252 WeakPolarHBondContact O-CB 3.49Å; L248-S252 PolarHBondContact O-N 3.11Å; L248-S252 PolarHBondContact O-OG 3.32Å; L248-S252 VanDerWaalsContact O-OG 3.09Å; S252-R263 WeakPolarHBondContact O-CD 3.43Å
253E91.8Very high94.5Very high102 Ų10241.5 Ų41.548%0.47719%0.191SC..Hα-helixtrans-72.5-39.5175.8-174.465.4-172.200113A249 R251 R256A249-E253 PolarHBondContact O-N 2.88Å; R251-E253 VanDerWaalsContact C-N 3.27Å; R251-E253 PolarHBondContact O-N 3.01Å; E253-R256 WeakPolarHBondContact O-CG 3.45Å
254T89.6Confident94.3Very high14 Ų1444.3 Ų44.39%0.08621%0.205CC..Hα-helixtrans-79.4-44.6-171-55.70000111.8S250 R251 K354S250-T254 WeakPolarHBondContact O-CB 3.4Å; S250-T254 PolarHBondContact O-N 3.23Å; S250-T254 VanDerWaalsContact O-N 3.16Å; S250-T254 PolarHBondContact O-OG1 3.31Å; R251-T254 PolarHBondContact O-N 3.41Å; R251-T254 VanDerWaalsContact O-N 3.11Å; T254-K354 HydrophobicContact CG2-CD 4.09Å; T254-K354 PolarHBondContact O-NZ 3.38Å; T254-K354 VanDerWaalsContact O-NZ 3.16Å
255F92.3Very high94.3Very high58 Ų5844.8 Ų44.825%0.25421%0.207SC..SBendtrans-114.363.4-171.4-49.8-60.5000110T77 R78 R251 D257 T258 Y259T77-F255 HydrophobicContact CG2-CE2 3.82Å; T77-F255 HydrophobicContact CG2-CZ 3.83Å; R78-F255 HydrophobicContact CG-CE2 4.23Å; R251-F255 HydrophobicContact CB-CD2 4.1Å; R251-F255 HydrophobicContact CG-CD2 4.2Å; R251-F255 HydrophobicContact CG-CE2 4.19Å; R251-F255 PolarHBondContact O-N 3.18Å; F255-D257 VanDerWaalsContact C-N 3.26Å; F255-D257 PolarHBondContact O-N 3.18Å; F255-T258 PolarHBondContact O-N 3.13Å; F255-Y259 HydrophobicContact CB-CD2 4.02Å; F255-Y259 HydrophobicContact CB-CE2 4.42Å; F255-Y259 HydrophobicContact CD2-CE2 4.4Å; F255-Y259 PolarHBondContact O-N 2.87Å
256R91.1Very high94Very high129 Ų12947.8 Ų47.849%0.48722%0.223SC..THydrogen-bonded Turntrans-56.4-36.3-168.5-62.3177.387.9-158.79.7113.6E253 Y259 R260E253-R256 WeakPolarHBondContact O-CG 3.45Å; R256-Y259 CarbonylContact O-C 3.56Å; R256-R260 VanDerWaalsContact O-CA 3.31Å; R256-R260 WeakPolarHBondContact O-CA 3.24Å; R256-R260 PolarHBondContact O-N 3.45Å
257D89.9Confident93.8Very high149 Ų14951 Ų5180%0.79726%0.257SS*.THydrogen-bonded Turntrans-72.6-45.9-178-57.3-36000111.3F255 Y259 R260F255-D257 VanDerWaalsContact C-N 3.26Å; F255-D257 PolarHBondContact O-N 3.18Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 3.08Å; D257-R260 WeakPolarHBondContact O-CB 3.21Å; D257-R260 PolarHBondContact O-N 3.31Å
258T89Confident93.7Very high56 Ų5654.8 Ų54.834%0.34428%0.28SS..THydrogen-bonded Turntrans-58.9-43.7174.2-60.20000112.3Q114 F255 R260 Q279Q114-T258 VanDerWaalsContact CD-CG2 3.48Å; Q114-T258 PolarHBondContact NE2-OG1 3.06Å; F255-T258 PolarHBondContact O-N 3.13Å; T258-R260 VanDerWaalsContact C-N 3.33Å; T258-Q279 VanDerWaalsContact CG2-NE2 3.33Å
259Y93.3Very high93.5Very high5 Ų556.2 Ų56.22%0.0230%0.296CS..THydrogen-bonded Turntrans-98.222.3-175.6-74.7-94.6000112.2L248 R251 F255 R256 D257 L261 W262 R263 Q279L248-Y259 HydrophobicContact CD1-CD1 4.02Å; L248-Y259 HydrophobicContact CD1-CE1 3.75Å; R251-Y259 HydrophobicContact CB-CD2 4.11Å; R251-Y259 HydrophobicContact CB-CE1 4.09Å; R251-Y259 HydrophobicContact CB-CE2 3.57Å; R251-Y259 WeakPolarHBondContact CD-OH 3.47Å; R251-Y259 HydrophobicContact CG-CE2 4.41Å; F255-Y259 HydrophobicContact CB-CD2 4.02Å; F255-Y259 HydrophobicContact CB-CE2 4.42Å; F255-Y259 HydrophobicContact CD2-CE2 4.4Å; F255-Y259 PolarHBondContact O-N 2.87Å; R256-Y259 CarbonylContact O-C 3.56Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 3.08Å; Y259-L261 VanDerWaalsContact C-N 3.33Å; Y259-L261 PolarHBondContact O-N 3.18Å; Y259-W262 HydrophobicContact CD1-CB 4.34Å; Y259-W262 AromaticContact CD1-CD1 3.51Å; Y259-W262 AromaticContact CD1-CG 3.97Å; Y259-W262 HydrophobicContact CD1-CG 3.97Å; Y259-W262 WeakPolarHBondContact O-CB 3.39Å; Y259-W262 PolarHBondContact O-N 2.96Å; Y259-W262 VanDerWaalsContact O-N 3.14Å; Y259-R263 WeakPolarHBondContact O-CG 3.48Å; Y259-R263 PolarHBondContact O-N 3.27Å; Y259-Q279 PolarHBondContact OH-OE1 3.02Å
260R94.7Very high93.4Very high153 Ų15365.5 Ų65.558%0.57733%0.33SS*.Hα-helixtrans-55-46.3-177178.7177.8174.4-93.2-0.8112.3R256 D257 T258 W262 R263 I264R256-R260 VanDerWaalsContact O-CA 3.31Å; R256-R260 WeakPolarHBondContact O-CA 3.24Å; R256-R260 PolarHBondContact O-N 3.45Å; D257-R260 WeakPolarHBondContact O-CB 3.21Å; D257-R260 PolarHBondContact O-N 3.31Å; T258-R260 VanDerWaalsContact C-N 3.33Å; R260-W262 PolarHBondContact O-N 3.37Å; R260-R263 PolarHBondContact O-N 2.93Å; R260-I264 HydrophobicContact CG-CD1 4.06Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 3.01Å
261L95.6Very high93.4Very high40 Ų4069.9 Ų69.921%0.20935%0.347CS..Hα-helixtrans-66.5-35.8-179.6-65.8-178.5000112.6Y259 R263 I264 W265 P272 N274 L275Y259-L261 VanDerWaalsContact C-N 3.33Å; Y259-L261 PolarHBondContact O-N 3.18Å; L261-R263 VanDerWaalsContact C-N 3.34Å; L261-I264 HydrophobicContact CD2-CD1 4.26Å; L261-I264 PolarHBondContact O-N 2.71Å; L261-W265 PolarHBondContact O-N 2.97Å; L261-P272 HydrophobicContact CB-CG 4.31Å; L261-P272 HydrophobicContact CD2-CB 4.32Å; L261-P272 HydrophobicContact CD2-CG 4.43Å; L261-N274 WeakPolarHBondContact CD1-O 3.29Å; L261-L275 HydrophobicContact CB-CD1 3.52Å
262W95.9Very high93.5Very high12 Ų1269.9 Ų69.95%0.04535%0.349CS..Hα-helixtrans-62.2-41.7172.8-71.395.3000111.7L248 Y259 R260 W265 D266 L275 D276 V277 L280 I376 F379L248-W262 HydrophobicContact CD1-CD2 3.91Å; L248-W262 HydrophobicContact CD1-CE3 4.08Å; L248-W262 HydrophobicContact CD1-CG 4.33Å; L248-W262 HydrophobicContact CD1-CH2 4.5Å; L248-W262 HydrophobicContact CD1-CZ2 4.37Å; L248-W262 HydrophobicContact CD1-CZ3 4.38Å; L248-W262 HydrophobicContact CD2-CE3 3.9Å; L248-W262 HydrophobicContact CD2-CH2 4.12Å; L248-W262 HydrophobicContact CD2-CZ3 3.66Å; L248-W262 HydrophobicContact CG-CE3 4.5Å; Y259-W262 HydrophobicContact CD1-CB 4.34Å; Y259-W262 AromaticContact CD1-CD1 3.51Å; Y259-W262 AromaticContact CD1-CG 3.97Å; Y259-W262 HydrophobicContact CD1-CG 3.97Å; Y259-W262 WeakPolarHBondContact O-CB 3.39Å; Y259-W262 PolarHBondContact O-N 2.96Å; Y259-W262 VanDerWaalsContact O-N 3.14Å; R260-W262 PolarHBondContact O-N 3.37Å; W262-W265 HydrophobicContact CE3-CE3 4.04Å; W262-W265 HydrophobicContact CE3-CZ3 4.22Å; W262-W265 HydrophobicContact CH2-CZ3 4.48Å; W262-W265 HydrophobicContact CZ3-CE3 4.04Å; W262-W265 AromaticContact CZ3-CZ3 3.73Å; W262-W265 HydrophobicContact CZ3-CZ3 3.73Å; W262-W265 WeakPolarHBondContact O-CB 3.26Å; W262-W265 PolarHBondContact O-N 3.05Å; W262-D266 PolarHBondContact O-N 2.93Å; W262-L275 HydrophobicContact CD2-CD1 3.89Å; W262-L275 HydrophobicContact CD2-CD2 4.15Å; W262-L275 HydrophobicContact CD2-CG 4.45Å; W262-L275 HydrophobicContact CE3-CD2 4.13Å; W262-L275 HydrophobicContact CG-CD1 3.86Å; W262-L275 HydrophobicContact CH2-CD2 4.07Å; W262-L275 HydrophobicContact CZ2-CD2 4.07Å; W262-L275 HydrophobicContact CZ2-CG 4.33Å; W262-L275 HydrophobicContact CZ3-CD2 4.08Å; W262-D276 PolarHBondContact NE1-O 2.66Å; W262-V277 HydrophobicContact CH2-CG1 4.22Å; W262-V277 HydrophobicContact CZ2-CB 4.35Å; W262-V277 HydrophobicContact CZ2-CG1 3.92Å; W262-L280 HydrophobicContact CH2-CD2 3.77Å; W262-L280 HydrophobicContact CZ2-CB 4.37Å; W262-L280 HydrophobicContact CZ2-CD2 4.3Å; W262-I376 HydrophobicContact CE3-CG2 4.2Å; W262-I376 HydrophobicContact CZ3-CG2 4.09Å; W262-F379 AromaticContact CH2-CD1 3.95Å; W262-F379 HydrophobicContact CH2-CD1 3.95Å; W262-F379 AromaticContact CH2-CE1 3.8Å; W262-F379 HydrophobicContact CH2-CE1 3.8Å; W262-F379 HydrophobicContact CZ3-CD1 4.2Å; W262-F379 HydrophobicContact CZ3-CE1 4.47Å
263R94.8Very high93.4Very high93 Ų9379.9 Ų79.935%0.35139%0.387SS..Hα-helixtrans-69.2-33.4176.5-64.9-179.466.7-126.2-12.8112.9S252 Y259 R260 L261 D266 G267S252-R263 WeakPolarHBondContact O-CD 3.43Å; Y259-R263 WeakPolarHBondContact O-CG 3.48Å; Y259-R263 PolarHBondContact O-N 3.27Å; R260-R263 PolarHBondContact O-N 2.93Å; L261-R263 VanDerWaalsContact C-N 3.34Å; R263-D266 PolarHBondContact O-N 3.04Å; R263-G267 PolarHBondContact O-N 3.07Å
264I95.1Very high93.5Very high61 Ų6179.1 Ų79.131%0.31339%0.386SS..Hα-helixtrans-65.2-44173.3-71.4168.2000110R260 L261 D266 G267 T268 P272R260-I264 HydrophobicContact CG-CD1 4.06Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 3.01Å; L261-I264 HydrophobicContact CD2-CD1 4.26Å; L261-I264 PolarHBondContact O-N 2.71Å; I264-D266 VanDerWaalsContact C-N 3.35Å; I264-D266 PolarHBondContact O-N 2.97Å; I264-G267 PolarHBondContact O-N 3.32Å; I264-T268 HydrophobicContact CG2-CG2 4.27Å; I264-T268 WeakPolarHBondContact O-CB 3.32Å; I264-T268 WeakPolarHBondContact O-CG2 3.39Å; I264-T268 PolarHBondContact O-N 2.98Å; I264-T268 PolarHBondContact O-OG1 3.39Å; I264-P272 HydrophobicContact CG2-CG 4.34Å
265W96.2Very high93.8Very high10 Ų1079.3 Ų79.34%0.03839%0.387CS..Hα-helixtrans-57.1-51.1174.2-174.31.3000110.8L261 W262 G267 T268 G269 R270 K271 L275 E375 I376 F379L261-W265 PolarHBondContact O-N 2.97Å; W262-W265 HydrophobicContact CE3-CE3 4.04Å; W262-W265 HydrophobicContact CE3-CZ3 4.22Å; W262-W265 HydrophobicContact CH2-CZ3 4.48Å; W262-W265 HydrophobicContact CZ3-CE3 4.04Å; W262-W265 AromaticContact CZ3-CZ3 3.73Å; W262-W265 HydrophobicContact CZ3-CZ3 3.73Å; W262-W265 WeakPolarHBondContact O-CB 3.26Å; W262-W265 PolarHBondContact O-N 3.05Å; W265-G267 VanDerWaalsContact C-N 3.32Å; W265-G267 PolarHBondContact O-N 3.11Å; W265-T268 PolarHBondContact O-N 2.62Å; W265-G269 WeakPolarHBondContact O-CA 3.1Å; W265-G269 PolarHBondContact O-N 3.17Å; W265-R270 VanDerWaalsContact CD1-C 3.48Å; W265-K271 HydrophobicContact CD2-CB 3.9Å; W265-K271 HydrophobicContact CD2-CG 4.01Å; W265-K271 HydrophobicContact CE3-CB 4.35Å; W265-K271 HydrophobicContact CE3-CG 3.94Å; W265-K271 HydrophobicContact CG-CB 4.3Å; W265-K271 HydrophobicContact CH2-CB 4.36Å; W265-K271 HydrophobicContact CH2-CD 3.8Å; W265-K271 HydrophobicContact CH2-CG 4.04Å; W265-K271 HydrophobicContact CZ2-CB 3.95Å; W265-K271 HydrophobicContact CZ2-CD 4.15Å; W265-K271 HydrophobicContact CZ2-CG 4.15Å; W265-K271 HydrophobicContact CZ3-CD 4.01Å; W265-K271 HydrophobicContact CZ3-CG 3.95Å; W265-L275 HydrophobicContact CE3-CD2 3.55Å; W265-L275 HydrophobicContact CZ3-CD2 3.63Å; W265-E375 HydrophobicContact CZ2-CB 4.19Å; W265-E375 PolarHBondContact NE1-OE2 3.1Å; W265-I376 HydrophobicContact CB-CD1 4.22Å; W265-I376 HydrophobicContact CD2-CD1 4.13Å; W265-I376 HydrophobicContact CD2-CG1 3.53Å; W265-I376 HydrophobicContact CE3-CD1 4.38Å; W265-I376 HydrophobicContact CE3-CG1 3.72Å; W265-I376 HydrophobicContact CG-CD1 4.07Å; W265-I376 HydrophobicContact CG-CG1 3.95Å; W265-I376 HydrophobicContact CH2-CG1 4.35Å; W265-I376 HydrophobicContact CZ2-CG1 4.16Å; W265-I376 HydrophobicContact CZ3-CG1 4.14Å; W265-F379 HydrophobicContact CH2-CB 3.48Å; W265-F379 VanDerWaalsContact CH2-CB 3.48Å; W265-F379 HydrophobicContact CH2-CD1 4.03Å; W265-F379 HydrophobicContact CH2-CD2 4.04Å; W265-F379 AromaticContact CH2-CG 3.56Å; W265-F379 HydrophobicContact CH2-CG 3.56Å; W265-F379 HydrophobicContact CZ2-CB 4.31Å; W265-F379 HydrophobicContact CZ3-CB 4.27Å; W265-F379 HydrophobicContact CZ3-CD1 4.03Å; W265-F379 HydrophobicContact CZ3-CG 4.04Å
266D93.6Very high93.7Very high63 Ų6379 Ų7934%0.33739%0.387SS..Hα-helixtrans-57.9-42.7-177.9-16648.1000112.4W262 R263 I264 S373 I376W262-D266 PolarHBondContact O-N 2.93Å; R263-D266 PolarHBondContact O-N 3.04Å; I264-D266 VanDerWaalsContact C-N 3.35Å; I264-D266 PolarHBondContact O-N 2.97Å; D266-S373 PolarHBondContact OD1-N 3.2Å; D266-I376 HydrophobicContact CB-CD1 3.56Å
267G92.7Very high93.8Very high70 Ų7074.6 Ų74.672%0.72238%0.375SS*.Hα-helixtrans-79.2-21.2-179.400000115.5R263 I264 W265R263-G267 PolarHBondContact O-N 3.07Å; I264-G267 PolarHBondContact O-N 3.32Å; W265-G267 VanDerWaalsContact C-N 3.32Å; W265-G267 PolarHBondContact O-N 3.11Å
268T94.6Very high93.8Very high83 Ų8370.1 Ų70.151%0.50935%0.353SS..Hα-helixtrans-109.5-14.1-175.362.10000113.9I264 W265 R270I264-T268 HydrophobicContact CG2-CG2 4.27Å; I264-T268 WeakPolarHBondContact O-CB 3.32Å; I264-T268 WeakPolarHBondContact O-CG2 3.39Å; I264-T268 PolarHBondContact O-N 2.98Å; I264-T268 PolarHBondContact O-OG1 3.39Å; W265-T268 PolarHBondContact O-N 2.62Å; T268-R270 PolarHBondContact O-N 3.47Å; T268-R270 PolarHBondContact OG1-N 2.87Å; T268-R270 PolarHBondContact OG1-O 2.81Å
269G93.1Very high93.9Very high35 Ų3569.5 Ų69.536%0.36135%0.346SS..THydrogen-bonded Turntrans64.615-17000000113.3W265W265-G269 WeakPolarHBondContact O-CA 3.1Å; W265-G269 PolarHBondContact O-N 3.17Å
270R94Very high94Very high201 Ų20169.8 Ų69.876%0.75835%0.348SS*.  trans-124.6117.2-179-66.9-175.4-179.4-178.30.5110.6W265 T268 P272W265-R270 VanDerWaalsContact CD1-C 3.48Å; T268-R270 PolarHBondContact O-N 3.47Å; T268-R270 PolarHBondContact OG1-N 2.87Å; T268-R270 PolarHBondContact OG1-O 2.81Å; R270-P272 VanDerWaalsContact O-CD 3.27Å; R270-P272 WeakPolarHBondContact O-CD 3.44Å
271K95.3Very high94Very high104 Ų10464.2 Ų64.245%0.45233%0.331SS..  trans-65.2121.5177.9-175.5-180174.2-177.80110.8W265 L275W265-K271 HydrophobicContact CD2-CB 3.9Å; W265-K271 HydrophobicContact CD2-CG 4.01Å; W265-K271 HydrophobicContact CE3-CB 4.35Å; W265-K271 HydrophobicContact CE3-CG 3.94Å; W265-K271 HydrophobicContact CG-CB 4.3Å; W265-K271 HydrophobicContact CH2-CB 4.36Å; W265-K271 HydrophobicContact CH2-CD 3.8Å; W265-K271 HydrophobicContact CH2-CG 4.04Å; W265-K271 HydrophobicContact CZ2-CB 3.95Å; W265-K271 HydrophobicContact CZ2-CD 4.15Å; W265-K271 HydrophobicContact CZ2-CG 4.15Å; W265-K271 HydrophobicContact CZ3-CD 4.01Å; W265-K271 HydrophobicContact CZ3-CG 3.95Å; K271-L275 HydrophobicContact CG-CD2 4.25Å
272P95.9Very high93.8Very high18 Ų1863.1 Ų63.112%0.11733%0.326CS..  trans-63.3138.2172.6-2334.4000111.8L261 I264 R270 N274 L275L261-P272 HydrophobicContact CB-CG 4.31Å; L261-P272 HydrophobicContact CD2-CB 4.32Å; L261-P272 HydrophobicContact CD2-CG 4.43Å; I264-P272 HydrophobicContact CG2-CG 4.34Å; R270-P272 VanDerWaalsContact O-CD 3.27Å; R270-P272 WeakPolarHBondContact O-CD 3.44Å; P272-N274 VanDerWaalsContact C-N 3.3Å; P272-N274 PolarHBondContact O-N 3.47Å; P272-L275 HydrophobicContact CB-CB 4.44Å; P272-L275 WeakPolarHBondContact O-CB 3.5Å; P272-L275 PolarHBondContact O-N 3.24Å
273Y93.7Very high93.8Very high221 Ų22162.9 Ų62.987%0.86733%0.326SS*.THydrogen-bonded Turntrans-64.2-34.3-17973.9-88000112.9L275Y273-L275 VanDerWaalsContact C-N 3.34Å
274N93.9Very high93.9Very high87 Ų8758.8 Ų58.847%0.46531%0.311SS..THydrogen-bonded Turntrans-9622.2-179.265.5-22.1000113L261 P272 D276L261-N274 WeakPolarHBondContact CD1-O 3.29Å; P272-N274 VanDerWaalsContact C-N 3.3Å; P272-N274 PolarHBondContact O-N 3.47Å; N274-D276 PolarHBondContact O-N 3.38Å; N274-D276 VanDerWaalsContact O-N 3.12Å
275L94.6Very high94Very high18 Ų1860.6 Ų60.69%0.09432%0.319CS..  trans-62.3115.3177.8-178.567.4000110.4L261 W262 W265 K271 P272 Y273 V277L261-L275 HydrophobicContact CB-CD1 3.52Å; W262-L275 HydrophobicContact CD2-CD1 3.89Å; W262-L275 HydrophobicContact CD2-CD2 4.15Å; W262-L275 HydrophobicContact CD2-CG 4.45Å; W262-L275 HydrophobicContact CE3-CD2 4.13Å; W262-L275 HydrophobicContact CG-CD1 3.86Å; W262-L275 HydrophobicContact CH2-CD2 4.07Å; W262-L275 HydrophobicContact CZ2-CD2 4.07Å; W262-L275 HydrophobicContact CZ2-CG 4.33Å; W262-L275 HydrophobicContact CZ3-CD2 4.08Å; W265-L275 HydrophobicContact CE3-CD2 3.55Å; W265-L275 HydrophobicContact CZ3-CD2 3.63Å; K271-L275 HydrophobicContact CG-CD2 4.25Å; P272-L275 HydrophobicContact CB-CB 4.44Å; P272-L275 WeakPolarHBondContact O-CB 3.5Å; P272-L275 PolarHBondContact O-N 3.24Å; Y273-L275 VanDerWaalsContact C-N 3.34Å; L275-V277 HydrophobicContact CD2-CG1 4.11Å; L275-V277 HydrophobicContact CG-CG1 4.11Å; L275-V277 PolarHBondContact O-N 3.25Å
276D90.8Very high93.9Very high50 Ų5061 Ų6127%0.26732%0.322SS..  trans-74.2114.1170.9-1785.9000110.4K116 W262 N274 T278K116-D276 WeakPolarHBondContact CE-OD2 3.27Å; K116-D276 IonicContact NZ-OD2 2.68Å; K116-D276 PolarHBondContact NZ-OD2 2.94Å; W262-D276 PolarHBondContact NE1-O 2.66Å; N274-D276 PolarHBondContact O-N 3.38Å; N274-D276 VanDerWaalsContact O-N 3.12Å; D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 3.1Å; D276-T278 PolarHBondContact OD1-OG1 2.73Å
277V93Very high94.1Very high38 Ų3858.6 Ų58.623%0.2331%0.308CS..  trans-102.1-1.9179.5-58.60000113.1W262 L275 Q279 L280 T281 F379W262-V277 HydrophobicContact CH2-CG1 4.22Å; W262-V277 HydrophobicContact CZ2-CB 4.35Å; W262-V277 HydrophobicContact CZ2-CG1 3.92Å; L275-V277 HydrophobicContact CD2-CG1 4.11Å; L275-V277 HydrophobicContact CG-CG1 4.11Å; L275-V277 PolarHBondContact O-N 3.25Å; V277-Q279 VanDerWaalsContact C-N 3.29Å; V277-Q279 PolarHBondContact O-N 2.81Å; V277-L280 WeakPolarHBondContact O-CA 3.37Å; V277-L280 WeakPolarHBondContact O-CB 3.08Å; V277-L280 PolarHBondContact O-N 3.41Å; V277-T281 HydrophobicContact CG2-CG2 4.32Å; V277-T281 PolarHBondContact O-N 2.87Å; V277-T281 PolarHBondContact O-OG1 2.83Å; V277-F379 HydrophobicContact CG1-CE1 3.85Å; V277-F379 HydrophobicContact CG1-CZ 3.81Å
278T90.7Very high94.4Very high54 Ų5459.3 Ų59.333%0.33129%0.289SS..Hα-helixtrans-56.3-43.1-173.4-47.60000111.5D276 L280 T281 T282D276-T278 WeakPolarHBondContact OD1-CB 3.41Å; D276-T278 PolarHBondContact OD1-N 3.1Å; D276-T278 PolarHBondContact OD1-OG1 2.73Å; T278-L280 PolarHBondContact O-N 3.41Å; T278-T281 WeakPolarHBondContact CA-OG1 3.34Å; T278-T281 PolarHBondContact O-N 3.32Å; T278-T281 PolarHBondContact O-OG1 3.3Å; T278-T281 VanDerWaalsContact O-OG1 3.12Å; T278-T282 VanDerWaalsContact O-CB 3.22Å; T278-T282 WeakPolarHBondContact O-CB 3.37Å; T278-T282 PolarHBondContact O-N 2.89Å; T278-T282 PolarHBondContact O-OG1 2.92Å
279Q89.9Confident94.5Very high43 Ų4358.3 Ų58.320%0.20128%0.281CS..Hα-helixtrans-65-26.7179.5-68.1-171.64900113.8T258 Y259 V277 V283T258-Q279 VanDerWaalsContact CG2-NE2 3.33Å; Y259-Q279 PolarHBondContact OH-OE1 3.02Å; V277-Q279 VanDerWaalsContact C-N 3.29Å; V277-Q279 PolarHBondContact O-N 2.81Å; Q279-V283 VanDerWaalsContact O-CG2 3.29Å; Q279-V283 WeakPolarHBondContact O-CG2 3.37Å
280L94.9Very high94.7Very high11 Ų1156.8 Ų56.86%0.05826%0.264CS..Hα-helixtrans-77.9-52174.8173.264.1000109.9P244 W262 V277 T278 T282 V283 C284 F379 T380 A383P244-L280 HydrophobicContact CB-CD1 4.48Å; W262-L280 HydrophobicContact CH2-CD2 3.77Å; W262-L280 HydrophobicContact CZ2-CB 4.37Å; W262-L280 HydrophobicContact CZ2-CD2 4.3Å; V277-L280 WeakPolarHBondContact O-CA 3.37Å; V277-L280 WeakPolarHBondContact O-CB 3.08Å; V277-L280 PolarHBondContact O-N 3.41Å; T278-L280 PolarHBondContact O-N 3.41Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 3.15Å; L280-V283 PolarHBondContact O-N 3.11Å; L280-V283 VanDerWaalsContact O-N 3.17Å; L280-C284 PolarHBondContact O-N 3.17Å; L280-C284 VanDerWaalsContact O-N 3.16Å; L280-C284 PolarHBondContact O-SG 3.08Å; L280-C284 VanDerWaalsContact O-SG 3.38Å; L280-F379 HydrophobicContact CD2-CD1 4.44Å; L280-F379 HydrophobicContact CD2-CE1 4.2Å; L280-T380 HydrophobicContact CD1-CG2 3.9Å; L280-T380 HydrophobicContact CD2-CG2 4.14Å; L280-A383 HydrophobicContact CD2-CB 4.29Å
281T94.8Very high94.8Very high37 Ų3747.2 Ų47.223%0.22723%0.228CC..Hα-helixtrans-61.9-43.1-177.155.90000111.1V277 T278 V283 C284 E285V277-T281 HydrophobicContact CG2-CG2 4.32Å; V277-T281 PolarHBondContact O-N 2.87Å; V277-T281 PolarHBondContact O-OG1 2.83Å; T278-T281 WeakPolarHBondContact CA-OG1 3.34Å; T278-T281 PolarHBondContact O-N 3.32Å; T278-T281 PolarHBondContact O-OG1 3.3Å; T278-T281 VanDerWaalsContact O-OG1 3.12Å; T281-V283 VanDerWaalsContact C-N 3.33Å; T281-V283 PolarHBondContact O-N 3.05Å; T281-C284 CarbonylContact O-C 3.54Å; T281-C284 PolarHBondContact O-N 2.72Å; T281-E285 WeakPolarHBondContact O-CB 3.24Å; T281-E285 WeakPolarHBondContact O-CG 3.46Å; T281-E285 PolarHBondContact O-N 3.43Å
282T93.3Very high94.9Very high17 Ų1743.3 Ų43.310%0.10421%0.214CC..Hα-helixtrans-60.5-37.9176-62.20000113T278 L280 C284 D286T278-T282 VanDerWaalsContact O-CB 3.22Å; T278-T282 WeakPolarHBondContact O-CB 3.37Å; T278-T282 PolarHBondContact O-N 2.89Å; T278-T282 PolarHBondContact O-OG1 2.92Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 3.15Å; T282-C284 VanDerWaalsContact C-N 3.3Å; T282-C284 PolarHBondContact O-N 2.95Å; T282-D286 WeakPolarHBondContact O-CB 3.25Å; T282-D286 PolarHBondContact O-N 2.99Å
283V94.9Very high95Very high7 Ų744 Ų444%0.04222%0.218CC..Hα-helixtrans-64-40.8174.4166.10000110.8T76 I247 Q279 L280 T281 F287T76-V283 HydrophobicContact CG2-CG1 4.34Å; I247-V283 HydrophobicContact CD1-CG1 3.95Å; Q279-V283 VanDerWaalsContact O-CG2 3.29Å; Q279-V283 WeakPolarHBondContact O-CG2 3.37Å; L280-V283 PolarHBondContact O-N 3.11Å; L280-V283 VanDerWaalsContact O-N 3.17Å; T281-V283 VanDerWaalsContact C-N 3.33Å; T281-V283 PolarHBondContact O-N 3.05Å; V283-F287 HydrophobicContact CG1-CD2 4.14Å; V283-F287 HydrophobicContact CG1-CE2 4.01Å; V283-F287 HydrophobicContact CG1-CZ 4.41Å; V283-F287 WeakPolarHBondContact O-CB 3.5Å; V283-F287 WeakPolarHBondContact O-CG 3.49Å; V283-F287 PolarHBondContact O-N 3.46Å
284C97.4Very high95.1Very high7 Ų733.8 Ų33.85%0.04718%0.179CC..Hα-helixtrans-71.6-38-178.3-62.30000112L280 T281 T282 W288 C384 V387L280-C284 PolarHBondContact O-N 3.17Å; L280-C284 VanDerWaalsContact O-N 3.16Å; L280-C284 PolarHBondContact O-SG 3.08Å; L280-C284 VanDerWaalsContact O-SG 3.38Å; T281-C284 CarbonylContact O-C 3.54Å; T281-C284 PolarHBondContact O-N 2.72Å; T282-C284 VanDerWaalsContact C-N 3.3Å; T282-C284 PolarHBondContact O-N 2.95Å; C284-W288 VanDerWaalsContact O-CB 3.23Å; C284-W288 WeakPolarHBondContact O-CB 3.18Å; C284-W288 PolarHBondContact O-N 3.05Å; C284-C384 HydrophobicContact CB-CB 3.76Å; C284-C384 WeakPolarHBondContact CB-SG 3.4Å; C284-C384 WeakPolarHBondContact SG-CB 3.03Å; C284-C384 CovalentContact SG-SG 2.02Å; C284-C384 PolarHBondContact SG-SG 3.32Å; C284-V387 HydrophobicContact CB-CG1 3.82Å
285E96.1Very high95.1Very high99 Ų9933 Ų3346%0.46318%0.175SC..Hα-helixtrans-66.4-51.8172.8-71.3164.3-169.100111.9T281 F287 W288 N289T281-E285 WeakPolarHBondContact O-CB 3.24Å; T281-E285 WeakPolarHBondContact O-CG 3.46Å; T281-E285 PolarHBondContact O-N 3.43Å; E285-F287 VanDerWaalsContact C-N 3.29Å; E285-F287 PolarHBondContact O-N 3.3Å; E285-W288 PolarHBondContact O-N 3.28Å; E285-W288 VanDerWaalsContact O-N 3.17Å; E285-N289 WeakPolarHBondContact O-CB 3.36Å; E285-N289 PolarHBondContact O-N 2.85Å
286D95.6Very high95.2Very high19 Ų1938.4 Ų38.410%0.10220%0.204CC..Hα-helixtrans-55.9-45.3178.1-73.5-8000110.2R121 T282 S290R121-D286 IonicContact CZ-OD2 3.09Å; R121-D286 VanDerWaalsContact CZ-OD2 3.29Å; R121-D286 IonicContact NH1-OD1 2.77Å; R121-D286 IonicContact NH1-OD2 2.81Å; R121-D286 PolarHBondContact NH1-OD2 3.5Å; R121-D286 IonicContact NH2-OD2 2.73Å; R121-D286 PolarHBondContact NH2-OD2 3.47Å; T282-D286 WeakPolarHBondContact O-CB 3.25Å; T282-D286 PolarHBondContact O-N 2.99Å; D286-S290 WeakPolarHBondContact O-CB 3.48Å; D286-S290 PolarHBondContact O-N 2.68Å
287F97.6Very high95.4Very high11 Ų1143.1 Ų43.15%0.04822%0.218CC..Hα-helixtrans-65.8-47.6175.8-78.5-5.7000112.7T76 V241 R242 I247 V283 E285 N289 S290 V291 V387T76-F287 HydrophobicContact CG2-CE1 4.05Å; T76-F287 HydrophobicContact CG2-CZ 3.64Å; V241-F287 HydrophobicContact CB-CE2 4.36Å; V241-F287 HydrophobicContact CB-CZ 4.38Å; V241-F287 HydrophobicContact CG1-CD1 4.19Å; V241-F287 HydrophobicContact CG1-CE1 4.2Å; V241-F287 HydrophobicContact CG1-CG 4.33Å; V241-F287 HydrophobicContact CG1-CZ 4.39Å; R242-F287 WeakPolarHBondContact O-CE2 3.41Å; I247-F287 HydrophobicContact CD1-CE2 3.69Å; I247-F287 HydrophobicContact CD1-CZ 3.96Å; V283-F287 HydrophobicContact CG1-CD2 4.14Å; V283-F287 HydrophobicContact CG1-CE2 4.01Å; V283-F287 HydrophobicContact CG1-CZ 4.41Å; V283-F287 WeakPolarHBondContact O-CB 3.5Å; V283-F287 WeakPolarHBondContact O-CG 3.49Å; V283-F287 PolarHBondContact O-N 3.46Å; E285-F287 VanDerWaalsContact C-N 3.29Å; E285-F287 PolarHBondContact O-N 3.3Å; F287-N289 PolarHBondContact O-N 2.94Å; F287-S290 PolarHBondContact O-N 2.95Å; F287-V291 WeakPolarHBondContact O-CB 3.25Å; F287-V291 WeakPolarHBondContact O-CG2 3.27Å; F287-V291 PolarHBondContact O-N 3.25Å; F287-V387 HydrophobicContact CB-CG2 3.6Å; F287-V387 HydrophobicContact CD2-CG2 4.44Å
288W97.7Very high95.6Very high86 Ų8642.5 Ų42.533%0.32622%0.215SC..Hα-helixtrans-57.5-49.5178.9173.2-100.6000111.5C284 E285 S292 Q386 V387 Q390C284-W288 VanDerWaalsContact O-CB 3.23Å; C284-W288 WeakPolarHBondContact O-CB 3.18Å; C284-W288 PolarHBondContact O-N 3.05Å; E285-W288 PolarHBondContact O-N 3.28Å; E285-W288 VanDerWaalsContact O-N 3.17Å; W288-S292 WeakPolarHBondContact O-CB 3.4Å; W288-S292 PolarHBondContact O-N 2.92Å; W288-S292 PolarHBondContact O-OG 2.86Å; W288-Q386 HydrophobicContact CD2-CB 4.07Å; W288-Q386 HydrophobicContact CE3-CB 3.64Å; W288-Q386 HydrophobicContact CH2-CB 4.18Å; W288-Q386 HydrophobicContact CZ3-CB 3.69Å; W288-Q386 WeakPolarHBondContact CZ3-O 3.29Å; W288-V387 HydrophobicContact CB-CB 4.37Å; W288-Q390 HydrophobicContact CE3-CB 4.09Å; W288-Q390 HydrophobicContact CE3-CG 4.39Å; W288-Q390 HydrophobicContact CZ3-CB 3.83Å; W288-Q390 HydrophobicContact CZ3-CG 4.14Å
289N97.1Very high95.9Very high62 Ų6245.7 Ų45.733%0.33224%0.236SC..Hα-helixtrans-63.5-46.2-180-67.7-16.9000111.6E220 E285 F287 T293E220-N289 VanDerWaalsContact CD-CB 3.44Å; E220-N289 HydrophobicContact CG-CB 4.12Å; E220-N289 PolarHBondContact OE1-ND2 3.05Å; E220-N289 WeakPolarHBondContact OE2-CB 3.46Å; E285-N289 WeakPolarHBondContact O-CB 3.36Å; E285-N289 PolarHBondContact O-N 2.85Å; F287-N289 PolarHBondContact O-N 2.94Å; N289-T293 WeakPolarHBondContact O-CB 3.36Å; N289-T293 PolarHBondContact O-N 3.27Å; N289-T293 PolarHBondContact O-OG1 3.32Å
290S96.9Very high96.3Very high2 Ų245.1 Ų45.11%0.01423%0.232CC..Hα-helixtrans-69.1-44.3-177-167.70000112.3V221 Q239 D286 F287 T293 G294V221-S290 VanDerWaalsContact CB-OG 3.28Å; V221-S290 WeakPolarHBondContact CB-OG 3.5Å; V221-S290 WeakPolarHBondContact CG1-O 3.41Å; V221-S290 WeakPolarHBondContact CG1-OG 3.49Å; V221-S290 PolarHBondContact N-OG 2.96Å; Q239-S290 VanDerWaalsContact NE2-CB 3.33Å; Q239-S290 PolarHBondContact NE2-OG 3.16Å; Q239-S290 VanDerWaalsContact NE2-OG 3.13Å; Q239-S290 PolarHBondContact OE1-OG 2.78Å; D286-S290 WeakPolarHBondContact O-CB 3.48Å; D286-S290 PolarHBondContact O-N 2.68Å; F287-S290 PolarHBondContact O-N 2.95Å; S290-T293 WeakPolarHBondContact O-CB 3.29Å; S290-T293 PolarHBondContact O-N 3.09Å; S290-G294 PolarHBondContact O-N 3.02Å
291V96.9Very high96.4Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-67.6-41.7177.1174.60000110.6V241 F287 T293 G294 L295 L307 Q390 L391V241-V291 HydrophobicContact CG1-CG2 3.9Å; F287-V291 WeakPolarHBondContact O-CB 3.25Å; F287-V291 WeakPolarHBondContact O-CG2 3.27Å; F287-V291 PolarHBondContact O-N 3.25Å; V291-T293 VanDerWaalsContact C-N 3.28Å; V291-T293 PolarHBondContact O-N 3.47Å; V291-G294 PolarHBondContact O-N 2.92Å; V291-G294 VanDerWaalsContact O-N 3.14Å; V291-L295 HydrophobicContact CG1-CD1 3.74Å; V291-L295 HydrophobicContact CG1-CG 4.01Å; V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.44Å; V291-L307 HydrophobicContact CG1-CD2 3.95Å; V291-L307 HydrophobicContact CG2-CD1 4.12Å; V291-L307 HydrophobicContact CG2-CD2 4.32Å; V291-Q390 HydrophobicContact CG1-CG 3.85Å; V291-L391 HydrophobicContact CG1-CD2 4.06Å; V291-L391 HydrophobicContact CG2-CD2 3.97Å
292S97.3Very high96.5Very high23 Ų2348.7 Ų48.716%0.16124%0.244CC..Hα-helixtrans-58.5-42.2175-60.90000111.5W288 L295 N296 Q390W288-S292 WeakPolarHBondContact O-CB 3.4Å; W288-S292 PolarHBondContact O-N 2.92Å; W288-S292 PolarHBondContact O-OG 2.86Å; S292-L295 PolarHBondContact O-N 2.77Å; S292-N296 WeakPolarHBondContact O-CB 3.49Å; S292-N296 PolarHBondContact O-N 2.83Å; S292-N296 PolarHBondContact O-ND2 2.7Å; S292-Q390 PolarHBondContact OG-NE2 3.16Å
293T97.1Very high96.6Very high33 Ų3349 Ų4920%0.20225%0.251CS..Hα-helixtrans-60.6-46.4174.8-59.10000111.6V221 N289 S290 V291 N296 P298 W300 L301V221-T293 HydrophobicContact CG1-CG2 3.64Å; N289-T293 WeakPolarHBondContact O-CB 3.36Å; N289-T293 PolarHBondContact O-N 3.27Å; N289-T293 PolarHBondContact O-OG1 3.32Å; S290-T293 WeakPolarHBondContact O-CB 3.29Å; S290-T293 PolarHBondContact O-N 3.09Å; V291-T293 VanDerWaalsContact C-N 3.28Å; V291-T293 PolarHBondContact O-N 3.47Å; T293-N296 PolarHBondContact O-N 3.36Å; T293-P298 HydrophobicContact CG2-CG 4.45Å; T293-P298 WeakPolarHBondContact O-CD 3.36Å; T293-W300 HydrophobicContact CG2-CZ2 3.89Å; T293-L301 HydrophobicContact CG2-CD1 4.42Å
294G96.1Very high96.7Very high5 Ų551.4 Ų51.45%0.05226%0.261CS..Hα-helixtrans-62.7-43.3177.100000113.3S290 V291 N296 R297S290-G294 PolarHBondContact O-N 3.02Å; V291-G294 PolarHBondContact O-N 2.92Å; V291-G294 VanDerWaalsContact O-N 3.14Å; G294-N296 VanDerWaalsContact C-N 3.32Å; G294-N296 PolarHBondContact O-N 3.16Å; G294-R297 PolarHBondContact O-N 2.94Å; G294-R297 VanDerWaalsContact O-N 3.11Å
295L94.4Very high96.8Very high72 Ų7251.6 Ų51.638%0.37726%0.26SS..Hα-helixtrans-70.5-26-180-68.3-179.8000113.3V291 S292 R297 Q390V291-L295 HydrophobicContact CG1-CD1 3.74Å; V291-L295 HydrophobicContact CG1-CG 4.01Å; V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.44Å; S292-L295 PolarHBondContact O-N 2.77Å; L295-R297 PolarHBondContact O-N 3.41Å; L295-Q390 HydrophobicContact CD1-CG 3.87Å
296N95.9Very high96.9Very high131 Ų13147.3 Ų47.370%0.70124%0.241SC*.THydrogen-bonded Turntrans-72-7172-72.4-19.1000113.2S292 T293 G294S292-N296 WeakPolarHBondContact O-CB 3.49Å; S292-N296 PolarHBondContact O-N 2.83Å; S292-N296 PolarHBondContact O-ND2 2.7Å; T293-N296 PolarHBondContact O-N 3.36Å; G294-N296 VanDerWaalsContact C-N 3.32Å; G294-N296 PolarHBondContact O-N 3.16Å
297R96.1Very high97Very high149 Ų14947 Ų4756%0.56224%0.239SC*.  trans47.652.9174.5-60.1179.4177.2-170.8-3.4113.9G294 L295 F418G294-R297 PolarHBondContact O-N 2.94Å; G294-R297 VanDerWaalsContact O-N 3.11Å; L295-R297 PolarHBondContact O-N 3.41Å; R297-F418 HydrophobicContact CB-CD1 4.08Å; R297-F418 HydrophobicContact CB-CD2 3.91Å; R297-F418 HydrophobicContact CB-CE1 4.13Å; R297-F418 HydrophobicContact CB-CE2 3.9Å; R297-F418 HydrophobicContact CB-CG 3.96Å; R297-F418 HydrophobicContact CB-CZ 4.02Å; R297-F418 HydrophobicContact CG-CB 4.02Å; R297-F418 HydrophobicContact CG-CD1 3.75Å; R297-F418 HydrophobicContact CG-CD2 4.22Å; R297-F418 HydrophobicContact CG-CE1 4.2Å; R297-F418 HydrophobicContact CG-CG 3.75Å
298P97.1Very high97Very high25 Ų2546.9 Ų46.916%0.16224%0.239CC..  trans-65.1148.4-179.530.7-36.9000110.5T293 W300 L301 F418T293-P298 HydrophobicContact CG2-CG 4.45Å; T293-P298 WeakPolarHBondContact O-CD 3.36Å; P298-W300 HydrophobicContact CG-CD2 4.5Å; P298-W300 HydrophobicContact CG-CZ2 4.1Å; P298-W300 PolarHBondContact O-N 3.16Å; P298-L301 HydrophobicContact CG-CB 4.18Å; P298-L301 HydrophobicContact CG-CD1 4.02Å; P298-L301 HydrophobicContact CG-CG 4.11Å; P298-L301 PolarHBondContact O-N 2.92Å; P298-F418 WeakPolarHBondContact O-CZ 3.37Å
299P97.3Very high97Very high120 Ų12042.9 Ų42.978%0.77922%0.224SC*.G310 helixtrans-53.5-35.4-173.7-29.535.4000114.7L301 K302P299-L301 PolarHBondContact O-N 3.45Å; P299-K302 VanDerWaalsContact O-CB 3.27Å; P299-K302 WeakPolarHBondContact O-CB 3.37Å; P299-K302 PolarHBondContact O-N 3.48Å; P299-K302 VanDerWaalsContact O-N 3.16Å
300W97.1Very high97Very high32 Ų3241 Ų4112%0.12121%0.212CC..G310 helixtrans-68.4-16.9-179.165.3-92.7000114.3V221 R225 V228 E229 T293 P298V221-W300 HydrophobicContact CG2-CH2 4.3Å; V221-W300 WeakPolarHBondContact O-CH2 3.27Å; R225-W300 HydrophobicContact CB-CD2 4.45Å; R225-W300 HydrophobicContact CB-CE3 4.24Å; R225-W300 HydrophobicContact CB-CH2 4.21Å; R225-W300 HydrophobicContact CB-CZ2 4.41Å; R225-W300 HydrophobicContact CB-CZ3 4.08Å; R225-W300 HydrophobicContact CG-CD2 4.04Å; R225-W300 HydrophobicContact CG-CE3 4.16Å; R225-W300 HydrophobicContact CG-CG 4.41Å; V228-W300 HydrophobicContact CB-CE3 3.92Å; V228-W300 HydrophobicContact CB-CZ3 4.08Å; V228-W300 HydrophobicContact CG1-CE3 3.87Å; V228-W300 HydrophobicContact CG1-CZ3 4.28Å; V228-W300 WeakPolarHBondContact CG1-O 3.09Å; V228-W300 HydrophobicContact CG2-CE3 4.46Å; V228-W300 HydrophobicContact CG2-CZ3 4.12Å; E229-W300 HydrophobicContact CG-CB 3.64Å; E229-W300 HydrophobicContact CG-CG 4.48Å; E229-W300 WeakPolarHBondContact OE1-CB 3.48Å; T293-W300 HydrophobicContact CG2-CZ2 3.89Å; P298-W300 HydrophobicContact CG-CD2 4.5Å; P298-W300 HydrophobicContact CG-CZ2 4.1Å; P298-W300 PolarHBondContact O-N 3.16Å
301L97.2Very high97Very high0 Ų041 Ų410%021%0.212CC..G310 helixtrans-96.3-3.6175-77-173.8000113.5V221 V228 T293 P298 P299 G303 K304 Y305 F418V221-L301 HydrophobicContact CG1-CD1 4.49Å; V221-L301 HydrophobicContact CG2-CD1 4.15Å; V221-L301 HydrophobicContact CG2-CD2 4.23Å; V228-L301 HydrophobicContact CG1-CD2 4.22Å; T293-L301 HydrophobicContact CG2-CD1 4.42Å; P298-L301 HydrophobicContact CG-CB 4.18Å; P298-L301 HydrophobicContact CG-CD1 4.02Å; P298-L301 HydrophobicContact CG-CG 4.11Å; P298-L301 PolarHBondContact O-N 2.92Å; P299-L301 PolarHBondContact O-N 3.45Å; L301-G303 PolarHBondContact O-N 3.25Å; L301-K304 PolarHBondContact O-N 3.32Å; L301-Y305 HydrophobicContact CD1-CD2 4.25Å; L301-Y305 HydrophobicContact CD1-CG 4.13Å; L301-Y305 PolarHBondContact O-N 3.43Å; L301-F418 HydrophobicContact CB-CE1 3.71Å; L301-F418 HydrophobicContact CB-CZ 3.41Å; L301-F418 VanDerWaalsContact CB-CZ 3.41Å; L301-F418 WeakPolarHBondContact O-CZ 2.97Å
302K97.1Very high96.9Very high123 Ų12342 Ų4254%0.53522%0.218SC..THydrogen-bonded Turntrans-60.9124-176.1-168.7178.2179.9-174.50111.5P299 K304 F418 S419P299-K302 VanDerWaalsContact O-CB 3.27Å; P299-K302 WeakPolarHBondContact O-CB 3.37Å; P299-K302 PolarHBondContact O-N 3.48Å; P299-K302 VanDerWaalsContact O-N 3.16Å; K302-K304 PolarHBondContact O-N 2.62Å; K302-K304 VanDerWaalsContact O-N 3.12Å; K302-F418 HydrophobicContact CB-CD2 4.02Å; K302-F418 HydrophobicContact CB-CE2 3.5Å; K302-F418 VanDerWaalsContact CB-CE2 3.5Å; K302-F418 HydrophobicContact CB-CZ 4.34Å; K302-F418 HydrophobicContact CG-CD2 3.95Å; K302-F418 HydrophobicContact CG-CE2 3.95Å; K302-F418 VanDerWaalsContact N-CE2 3.3Å; K302-F418 VanDerWaalsContact N-CZ 3.26Å; K302-S419 WeakPolarHBondContact CE-O 3.46Å; K302-S419 WeakPolarHBondContact CE-OXT 3.17Å; K302-S419 WeakPolarHBondContact CG-OXT 3.46Å
303G96.4Very high96.8Very high24 Ų2441 Ų4125%0.24721%0.211CC..THydrogen-bonded Turntrans65.75.4-175.200000115L301 F418L301-G303 PolarHBondContact O-N 3.25Å; G303-F418 PolarHBondContact N-O 3.47Å
304K97.4Very high96.6Very high57 Ų5739.7 Ų39.725%0.24820%0.202CC..THydrogen-bonded Turntrans-120.6-2.3-172.7-65.6-175.8-179.1-178.20113.8V228 K236 V237 L301 K302V228-K304 HydrophobicContact CG1-CB 4.06Å; V228-K304 HydrophobicContact CG1-CD 3.49Å; V228-K304 VanDerWaalsContact CG1-CD 3.49Å; V228-K304 HydrophobicContact CG1-CG 4.43Å; V228-K304 PolarHBondContact O-NZ 3.38Å; K236-K304 CarbonylContact C-O 3.57Å; K236-K304 WeakPolarHBondContact CA-O 3.31Å; V237-K304 PolarHBondContact N-O 2.64Å; L301-K304 PolarHBondContact O-N 3.32Å; K302-K304 PolarHBondContact O-N 2.62Å; K302-K304 VanDerWaalsContact O-N 3.12Å
305Y98.3Very high96.4Very high10 Ų1044.2 Ų44.24%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-132.7134.3-178.3177-94.4000113.6V221 V237 Q239 L301 L307V221-Y305 HydrophobicContact CB-CE2 4.38Å; V221-Y305 HydrophobicContact CG2-CD2 3.86Å; V221-Y305 HydrophobicContact CG2-CE2 3.83Å; V237-Y305 HydrophobicContact CB-CD2 4.33Å; V237-Y305 HydrophobicContact CG1-CD2 4.33Å; V237-Y305 WeakPolarHBondContact O-CA 3.47Å; Q239-Y305 HydrophobicContact CB-CE2 3.6Å; Q239-Y305 PolarHBondContact OE1-OH 3.43Å; L301-Y305 HydrophobicContact CD1-CD2 4.25Å; L301-Y305 HydrophobicContact CD1-CG 4.13Å; L301-Y305 PolarHBondContact O-N 3.43Å; Y305-L307 HydrophobicContact CE1-CB 3.91Å
306M98Very high96.3Very high10 Ų1044.6 Ų44.65%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-131.1130.3170.4-179.4177.1-169.400110V237 I238 Q239 V308 E323 I324 F327 P417V237-M306 PolarHBondContact O-N 3.22Å; I238-M306 CarbonylContact C-O 3.59Å; I238-M306 WeakPolarHBondContact CA-O 3.46Å; Q239-M306 PolarHBondContact N-O 3.31Å; M306-V308 HydrophobicContact CE-CG2 4.12Å; M306-V308 HydrophobicContact CG-CG2 3.96Å; M306-V308 HydrophobicContact SD-CG2 4.15Å; M306-E323 HydrophobicContact CE-CB 4.17Å; M306-I324 HydrophobicContact CE-CG1 3.83Å; M306-I324 HydrophobicContact SD-CB 4.4Å; M306-I324 HydrophobicContact SD-CG1 3.84Å; M306-F327 HydrophobicContact CB-CD1 3.68Å; M306-F327 HydrophobicContact CB-CD2 4.27Å; M306-F327 HydrophobicContact CB-CE1 3.61Å; M306-F327 HydrophobicContact CB-CE2 4.21Å; M306-F327 HydrophobicContact CB-CG 4.01Å; M306-F327 HydrophobicContact CB-CZ 3.9Å; M306-F327 HydrophobicContact CG-CD1 4.38Å; M306-F327 HydrophobicContact CG-CG 4.49Å; M306-F327 HydrophobicContact SD-CB 3.83Å; M306-F327 HydrophobicContact SD-CD1 3.82Å; M306-F327 HydrophobicContact SD-CG 3.88Å; M306-P417 HydrophobicContact CB-CG 4.25Å; M306-P417 HydrophobicContact CG-CG 4Å; M306-P417 HydrophobicContact SD-CG 4.37Å
307L97.9Very high96.2Very high11 Ų1139.1 Ų39.16%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-95.3122.6172.6178.263.2000109.1Q239 V241 V291 Y305 L391 F415Q239-L307 HydrophobicContact CB-CD1 4.2Å; Q239-L307 HydrophobicContact CG-CD1 4.11Å; V241-L307 HydrophobicContact CB-CD1 4.34Å; V241-L307 HydrophobicContact CG1-CD1 3.63Å; V241-L307 HydrophobicContact CG2-CD1 3.79Å; V241-L307 HydrophobicContact CG2-CG 4.43Å; V291-L307 HydrophobicContact CG1-CD2 3.95Å; V291-L307 HydrophobicContact CG2-CD1 4.12Å; V291-L307 HydrophobicContact CG2-CD2 4.32Å; Y305-L307 HydrophobicContact CE1-CB 3.91Å; L307-L391 HydrophobicContact CD2-CD2 4.31Å; L307-F415 HydrophobicContact CB-CB 4.16Å; L307-F415 HydrophobicContact CD2-CB 4.36Å; L307-F415 HydrophobicContact CD2-CD1 3.61Å; L307-F415 HydrophobicContact CD2-CE1 3.97Å; L307-F415 HydrophobicContact CD2-CG 3.95Å; L307-F415 HydrophobicContact CG-CB 4.38Å; L307-F415 HydrophobicContact CG-CD1 4.4Å; L307-F415 HydrophobicContact CG-CG 4.25Å
308V97.8Very high96.1Very high9 Ų934.2 Ų34.26%0.05518%0.176CC..EExtended strand (participates in β ladder)trans-117.8122.4179.5179.80000109.1I238 Q239 L240 V241 M306 L313 I324I238-V308 HydrophobicContact CG2-CB 4.33Å; I238-V308 HydrophobicContact CG2-CG2 3.7Å; Q239-V308 PolarHBondContact O-N 3.12Å; L240-V308 WeakPolarHBondContact CA-O 3.31Å; L240-V308 HydrophobicContact CD1-CB 4.3Å; L240-V308 HydrophobicContact CD1-CG1 4.07Å; L240-V308 WeakPolarHBondContact CD1-O 3.42Å; V241-V308 PolarHBondContact N-O 3.29Å; M306-V308 HydrophobicContact CE-CG2 4.12Å; M306-V308 HydrophobicContact CG-CG2 3.96Å; M306-V308 HydrophobicContact SD-CG2 4.15Å; V308-L313 HydrophobicContact CG1-CB 4.34Å; V308-I324 HydrophobicContact CG1-CD1 4.37Å; V308-I324 HydrophobicContact CG2-CD1 4.04Å; V308-I324 HydrophobicContact CG2-CG1 4.07Å
309R97.6Very high96Very high2 Ų239 Ų391%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-91.8126174.8-174.8171.263.8168.16.6110.1V241 E311 D312 L313 L391 G392 Y393 E411 F415V241-R309 HydrophobicContact CG2-CB 4.09Å; V241-R309 HydrophobicContact CG2-CG 4.34Å; R309-E311 VanDerWaalsContact C-N 3.27Å; R309-E311 VanDerWaalsContact CG-OE2 3.27Å; R309-E311 WeakPolarHBondContact CG-OE2 3.35Å; R309-E311 PolarHBondContact O-N 3.43Å; R309-D312 WeakPolarHBondContact CB-OD2 3.3Å; R309-D312 IonicContact CZ-OD1 3.29Å; R309-D312 IonicContact CZ-OD2 2.67Å; R309-D312 VanDerWaalsContact CZ-OD2 3.28Å; R309-D312 IonicContact NE-OD1 2.59Å; R309-D312 IonicContact NE-OD2 3.43Å; R309-D312 PolarHBondContact NE-OD2 3.46Å; R309-D312 VanDerWaalsContact NH2-CG 3.28Å; R309-D312 IonicContact NH2-OD1 2.88Å; R309-D312 PolarHBondContact NH2-OD1 3.21Å; R309-D312 IonicContact NH2-OD2 2.95Å; R309-D312 PolarHBondContact NH2-OD2 3.37Å; R309-D312 PolarHBondContact O-N 3.29Å; R309-D312 VanDerWaalsContact O-N 3.13Å; R309-L313 PolarHBondContact O-N 3.01Å; R309-L391 PolarHBondContact NH1-O 2.9Å; R309-G392 PolarHBondContact NH1-O 3.05Å; R309-Y393 WeakPolarHBondContact CD-OH 3.29Å; R309-Y393 HydrophobicContact CG-CE1 4.38Å; R309-Y393 VanDerWaalsContact CG-OH 3.25Å; R309-Y393 WeakPolarHBondContact CG-OH 3.44Å; R309-E411 PolarHBondContact NH1-O 2.78Å; R309-E411 VanDerWaalsContact NH1-O 3.16Å; R309-E411 PolarHBondContact NH2-O 3.01Å; R309-F415 HydrophobicContact CB-CD2 4.35Å; R309-F415 HydrophobicContact CB-CE2 3.97Å
310Y97.1Very high95.9Very high23 Ų2334.7 Ų34.79%0.0916%0.163CC..Hα-helixtrans-54.7-40.8-174.8168.5-103.1000112.9S79 V241 R242 D312 L313 A314 A365S79-Y310 WeakPolarHBondContact O-CB 3.27Å; S79-Y310 VanDerWaalsContact O-CD2 3.31Å; S79-Y310 WeakPolarHBondContact O-CD2 3.49Å; V241-Y310 WeakPolarHBondContact O-CB 3.36Å; V241-Y310 PolarHBondContact O-N 3.29Å; R242-Y310 HydrophobicContact CB-CG 4.34Å; R242-Y310 HydrophobicContact CG-CD1 3.68Å; R242-Y310 HydrophobicContact CG-CG 3.99Å; Y310-D312 VanDerWaalsContact C-N 3.31Å; Y310-D312 PolarHBondContact O-N 3.04Å; Y310-L313 PolarHBondContact O-N 2.88Å; Y310-A314 HydrophobicContact CE1-CB 4.35Å; Y310-A314 HydrophobicContact CE2-CB 4.37Å; Y310-A314 WeakPolarHBondContact O-CB 3.33Å; Y310-A314 PolarHBondContact O-N 2.94Å; Y310-A365 HydrophobicContact CE1-CB 3.92Å
311E96.1Very high95.9Very high3 Ų333.1 Ų33.11%0.01416%0.158CC..Hα-helixtrans-65.5-35-177.5-66.372-158.100112R242 D243 R309 R315 A365 Y393 V410R242-E311 WeakPolarHBondContact CG-OE1 3.36Å; D243-E311 WeakPolarHBondContact CB-OE1 3.43Å; D243-E311 PolarHBondContact N-OE1 2.9Å; R309-E311 VanDerWaalsContact C-N 3.27Å; R309-E311 VanDerWaalsContact CG-OE2 3.27Å; R309-E311 WeakPolarHBondContact CG-OE2 3.35Å; R309-E311 PolarHBondContact O-N 3.43Å; E311-R315 WeakPolarHBondContact O-CB 3.44Å; E311-R315 PolarHBondContact O-N 3.23Å; E311-A365 HydrophobicContact CG-CB 4.45Å; E311-Y393 HydrophobicContact CG-CE1 4.22Å; E311-Y393 WeakPolarHBondContact OE2-CE1 3.4Å; E311-Y393 PolarHBondContact OE2-OH 2.69Å; E311-V410 HydrophobicContact CB-CG1 4.31Å; E311-V410 HydrophobicContact CB-CG2 4.23Å; E311-V410 HydrophobicContact CG-CG2 4.08Å
312D95.6Very high95.9Very high21 Ų2137.2 Ų37.211%0.11218%0.177CC..Hα-helixtrans-72.5-43.6177.8-58.9-33.6000111.1R309 Y310 A314 R315 N316 K320R309-D312 WeakPolarHBondContact CB-OD2 3.3Å; R309-D312 IonicContact CZ-OD1 3.29Å; R309-D312 IonicContact CZ-OD2 2.67Å; R309-D312 VanDerWaalsContact CZ-OD2 3.28Å; R309-D312 IonicContact NE-OD1 2.59Å; R309-D312 IonicContact NE-OD2 3.43Å; R309-D312 PolarHBondContact NE-OD2 3.46Å; R309-D312 VanDerWaalsContact NH2-CG 3.28Å; R309-D312 IonicContact NH2-OD1 2.88Å; R309-D312 PolarHBondContact NH2-OD1 3.21Å; R309-D312 IonicContact NH2-OD2 2.95Å; R309-D312 PolarHBondContact NH2-OD2 3.37Å; R309-D312 PolarHBondContact O-N 3.29Å; R309-D312 VanDerWaalsContact O-N 3.13Å; Y310-D312 VanDerWaalsContact C-N 3.31Å; Y310-D312 PolarHBondContact O-N 3.04Å; D312-A314 VanDerWaalsContact C-N 3.33Å; D312-R315 PolarHBondContact O-N 3.32Å; D312-R315 IonicContact OD1-NH1 2.69Å; D312-N316 PolarHBondContact O-N 3.19Å; D312-K320 HydrophobicContact CB-CG 4.43Å
313L95.1Very high95.9Very high2 Ų234.2 Ų34.21%0.0116%0.164CC..Hα-helixtrans-62.8-41.1173.3-179.567.4000111.3F83 V84 L87 V308 R309 Y310 R315 N316 P317 K320F83-L313 HydrophobicContact CD1-CD2 4.01Å; F83-L313 HydrophobicContact CE1-CD2 4.18Å; F83-L313 HydrophobicContact CE1-CG 4.25Å; V84-L313 HydrophobicContact CG2-CD2 3.45Å; V84-L313 VanDerWaalsContact CG2-CD2 3.45Å; L87-L313 HydrophobicContact CD1-CD1 4.32Å; L87-L313 HydrophobicContact CD1-CD2 4.46Å; V308-L313 HydrophobicContact CG1-CB 4.34Å; R309-L313 PolarHBondContact O-N 3.01Å; Y310-L313 PolarHBondContact O-N 2.88Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.91Å; L313-N316 CarbonylContact O-C 3.51Å; L313-P317 WeakPolarHBondContact O-CA 3.49Å; L313-P317 WeakPolarHBondContact O-CB 3.44Å; L313-P317 VanDerWaalsContact O-N 3.1Å; L313-K320 HydrophobicContact CB-CB 4.35Å; L313-K320 HydrophobicContact CD1-CB 3.6Å
314A93.3Very high95.9Very high4 Ų433.1 Ų33.13%0.03315%0.153CC..Hα-helixtrans-67.5-33.9179.900000112.2Y310 D312 S361 A362 A365Y310-A314 HydrophobicContact CE1-CB 4.35Å; Y310-A314 HydrophobicContact CE2-CB 4.37Å; Y310-A314 WeakPolarHBondContact O-CB 3.33Å; Y310-A314 PolarHBondContact O-N 2.94Å; D312-A314 VanDerWaalsContact C-N 3.33Å; A314-S361 VanDerWaalsContact O-CB 3.27Å; A314-S361 WeakPolarHBondContact O-CB 3.45Å; A314-S361 PolarHBondContact O-OG 2.99Å; A314-A362 PolarHBondContact O-N 3.04Å; A314-A365 HydrophobicContact CB-CB 4.07Å
315R91.3Very high96Very high101 Ų10130.4 Ų30.438%0.38114%0.141SC..Hα-helixtrans-78-39.5178-169.6176.7-67.1112.8-0.9112.3E311 D312 L313E311-R315 WeakPolarHBondContact O-CB 3.44Å; E311-R315 PolarHBondContact O-N 3.23Å; D312-R315 PolarHBondContact O-N 3.32Å; D312-R315 IonicContact OD1-NH1 2.69Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.91Å
316N92.6Very high95.9Very high79 Ų7936 Ų3642%0.42217%0.172SC..SBendtrans-130.466.5-175.7-62.5-67.3000111.6D312 L313 M318 K319 K320D312-N316 PolarHBondContact O-N 3.19Å; L313-N316 CarbonylContact O-C 3.51Å; N316-M318 PolarHBondContact O-N 3Å; N316-K319 HydrophobicContact CB-CB 4.38Å; N316-K320 HydrophobicContact CB-CG 4.49Å; N316-K320 WeakPolarHBondContact O-CB 3.43Å; N316-K320 PolarHBondContact O-N 3.33Å
317P93.7Very high95.9Very high17 Ų1736.9 Ų36.911%0.1118%0.175CC..Hα-helixtrans-65.5-37.4-168.724.8-34.9000114F83 L313 T321 I340 T344F83-P317 HydrophobicContact CZ-CB 4.29Å; L313-P317 WeakPolarHBondContact O-CA 3.49Å; L313-P317 WeakPolarHBondContact O-CB 3.44Å; L313-P317 VanDerWaalsContact O-N 3.1Å; P317-T321 VanDerWaalsContact O-CB 3.26Å; P317-T321 WeakPolarHBondContact O-CB 3.43Å; P317-T321 PolarHBondContact O-N 2.98Å; P317-T321 VanDerWaalsContact O-N 3.11Å; P317-T321 PolarHBondContact O-OG1 3.32Å; P317-I340 HydrophobicContact CB-CG2 3.84Å; P317-I340 HydrophobicContact CG-CG2 4.12Å; P317-T344 HydrophobicContact CB-CG2 3.89Å; P317-T344 HydrophobicContact CG-CG2 3.85Å
318M93.9Very high95.8Very high46 Ų4636.4 Ų36.423%0.22717%0.173CC..Hα-helixtrans-63.7-62.6176.3-70.9-60.6-55.600110.8N316 K320 T321 E322 M332 E337 I340 Q341N316-M318 PolarHBondContact O-N 3Å; M318-K320 PolarHBondContact O-N 3.35Å; M318-T321 WeakPolarHBondContact O-CA 3.36Å; M318-T321 WeakPolarHBondContact O-CB 3.13Å; M318-T321 PolarHBondContact O-N 3.2Å; M318-E322 PolarHBondContact O-N 2.92Å; M318-M332 HydrophobicContact CE-CE 4.32Å; M318-E337 HydrophobicContact CE-CB 4Å; M318-E337 HydrophobicContact CE-CG 3.94Å; M318-I340 HydrophobicContact CG-CG2 4.02Å; M318-I340 HydrophobicContact SD-CB 3.7Å; M318-I340 HydrophobicContact SD-CD1 3.87Å; M318-I340 HydrophobicContact SD-CG1 4.42Å; M318-I340 HydrophobicContact SD-CG2 3.46Å; M318-I340 WeakPolarHBondContact SD-CG2 3.46Å; M318-Q341 HydrophobicContact SD-CG 4.45Å
319K94.7Very high95.7Very high124 Ų12438.8 Ų38.854%0.53920%0.199SC..Hα-helixtrans-52.2-48.4179.9-179-179.3177.6-178.80113N316 T321 E322 E323N316-K319 HydrophobicContact CB-CB 4.38Å; K319-T321 VanDerWaalsContact C-N 3.26Å; K319-T321 PolarHBondContact O-N 3.02Å; K319-E322 PolarHBondContact O-N 3.4Å; K319-E323 VanDerWaalsContact CE-OE1 3.3Å; K319-E323 WeakPolarHBondContact CE-OE1 3.3Å; K319-E323 WeakPolarHBondContact O-CG 3.31Å; K319-E323 PolarHBondContact O-N 3.23Å
320K95.9Very high95.7Very high30 Ų3039 Ų3913%0.1320%0.2CC..Hα-helixtrans-69.4-24179.9-71-48.3-169.1-170.30113D312 L313 N316 M318 E323 I324D312-K320 HydrophobicContact CB-CG 4.43Å; L313-K320 HydrophobicContact CB-CB 4.35Å; L313-K320 HydrophobicContact CD1-CB 3.6Å; N316-K320 HydrophobicContact CB-CG 4.49Å; N316-K320 WeakPolarHBondContact O-CB 3.43Å; N316-K320 PolarHBondContact O-N 3.33Å; M318-K320 PolarHBondContact O-N 3.35Å; K320-E323 WeakPolarHBondContact CD-OE2 3.39Å; K320-E323 WeakPolarHBondContact CE-OE2 3.39Å; K320-E323 IonicContact NZ-OE1 3.49Å; K320-E323 PolarHBondContact NZ-OE1 3Å; K320-E323 IonicContact NZ-OE2 2.78Å; K320-E323 PolarHBondContact NZ-OE2 3.08Å; K320-I324 WeakPolarHBondContact O-CD1 3.38Å; K320-I324 WeakPolarHBondContact O-CG1 3.27Å; K320-I324 PolarHBondContact O-N 3.28Å
321T97Very high95.6Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-75.1-43.2172.1-57.50000111.1L87 P317 M318 K319 E323 I324 Y325 M332 V336 I340L87-T321 HydrophobicContact CB-CG2 4.34Å; L87-T321 HydrophobicContact CD1-CG2 4.1Å; L87-T321 WeakPolarHBondContact CD1-OG1 3.39Å; L87-T321 HydrophobicContact CD2-CG2 4.14Å; L87-T321 HydrophobicContact CG-CG2 4.42Å; P317-T321 VanDerWaalsContact O-CB 3.26Å; P317-T321 WeakPolarHBondContact O-CB 3.43Å; P317-T321 PolarHBondContact O-N 2.98Å; P317-T321 VanDerWaalsContact O-N 3.11Å; P317-T321 PolarHBondContact O-OG1 3.32Å; M318-T321 WeakPolarHBondContact O-CA 3.36Å; M318-T321 WeakPolarHBondContact O-CB 3.13Å; M318-T321 PolarHBondContact O-N 3.2Å; K319-T321 VanDerWaalsContact C-N 3.26Å; K319-T321 PolarHBondContact O-N 3.02Å; T321-E323 VanDerWaalsContact C-N 3.35Å; T321-E323 PolarHBondContact O-N 3.22Å; T321-I324 WeakPolarHBondContact O-CB 3.17Å; T321-I324 PolarHBondContact O-N 2.91Å; T321-Y325 HydrophobicContact CG2-CD2 3.6Å; T321-Y325 HydrophobicContact CG2-CE2 3.62Å; T321-Y325 WeakPolarHBondContact O-CD2 3.26Å; T321-Y325 PolarHBondContact O-N 3.24Å; T321-M332 HydrophobicContact CG2-CE 3.69Å; T321-M332 HydrophobicContact CG2-SD 3.98Å; T321-V336 HydrophobicContact CG2-CG1 4.18Å; T321-I340 HydrophobicContact CG2-CD1 3.87Å
322E96.8Very high95.6Very high86 Ų8644.7 Ų44.740%0.40224%0.237SC..Hα-helixtrans-55.1-50.1173.7-68.8160-168.300110.7M318 K319 I324 Y325 D326 M332M318-E322 PolarHBondContact O-N 2.92Å; K319-E322 PolarHBondContact O-N 3.4Å; E322-I324 PolarHBondContact O-N 3.08Å; E322-Y325 PolarHBondContact O-N 3.07Å; E322-Y325 VanDerWaalsContact O-N 3.08Å; E322-D326 WeakPolarHBondContact O-CB 3.33Å; E322-D326 VanDerWaalsContact O-CG 3.31Å; E322-D326 PolarHBondContact O-N 3.22Å; E322-M332 HydrophobicContact CG-SD 3.99Å
323E96.9Very high95.4Very high59 Ų5945 Ų4528%0.27624%0.239SC..Hα-helixtrans-55.5-36.9175.5-70.9173.7-157.900113M306 K319 K320 T321 F327M306-E323 HydrophobicContact CE-CB 4.17Å; K319-E323 VanDerWaalsContact CE-OE1 3.3Å; K319-E323 WeakPolarHBondContact CE-OE1 3.3Å; K319-E323 WeakPolarHBondContact O-CG 3.31Å; K319-E323 PolarHBondContact O-N 3.23Å; K320-E323 WeakPolarHBondContact CD-OE2 3.39Å; K320-E323 WeakPolarHBondContact CE-OE2 3.39Å; K320-E323 IonicContact NZ-OE1 3.49Å; K320-E323 PolarHBondContact NZ-OE1 3Å; K320-E323 IonicContact NZ-OE2 2.78Å; K320-E323 PolarHBondContact NZ-OE2 3.08Å; T321-E323 VanDerWaalsContact C-N 3.35Å; T321-E323 PolarHBondContact O-N 3.22Å; E323-F327 WeakPolarHBondContact O-CB 3.35Å; E323-F327 PolarHBondContact O-N 3.04Å; E323-F327 VanDerWaalsContact O-N 3.09Å
324I97.9Very high95.3Very high1 Ų147.7 Ų47.71%0.00526%0.258CS..Hα-helixtrans-68.7-46.9177.1-73.1164.7000110.7L87 F88 I238 M306 V308 K320 T321 E322 F327 L328L87-I324 HydrophobicContact CD1-CD1 4.48Å; F88-I324 HydrophobicContact CZ-CG2 3.79Å; I238-I324 HydrophobicContact CD1-CG2 3.62Å; M306-I324 HydrophobicContact CE-CG1 3.83Å; M306-I324 HydrophobicContact SD-CB 4.4Å; M306-I324 HydrophobicContact SD-CG1 3.84Å; V308-I324 HydrophobicContact CG1-CD1 4.37Å; V308-I324 HydrophobicContact CG2-CD1 4.04Å; V308-I324 HydrophobicContact CG2-CG1 4.07Å; K320-I324 WeakPolarHBondContact O-CD1 3.38Å; K320-I324 WeakPolarHBondContact O-CG1 3.27Å; K320-I324 PolarHBondContact O-N 3.28Å; T321-I324 WeakPolarHBondContact O-CB 3.17Å; T321-I324 PolarHBondContact O-N 2.91Å; E322-I324 PolarHBondContact O-N 3.08Å; I324-F327 PolarHBondContact O-N 2.85Å; I324-L328 HydrophobicContact CG2-CD1 4.04Å; I324-L328 VanDerWaalsContact O-CG 3.24Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 3.41Å
325Y97.8Very high95.2Very high1 Ų149.8 Ų49.80%0.00427%0.269CS..Hα-helixtrans-65.6-40.2-179.9-88.4-84.5000111.8L87 H91 T321 E322 L328 G329 I330 M332 V336L87-Y325 PolarHBondContact O-OH 3.38Å; H91-Y325 AromaticContact CD2-CE1 3.56Å; T321-Y325 HydrophobicContact CG2-CD2 3.6Å; T321-Y325 HydrophobicContact CG2-CE2 3.62Å; T321-Y325 WeakPolarHBondContact O-CD2 3.26Å; T321-Y325 PolarHBondContact O-N 3.24Å; E322-Y325 PolarHBondContact O-N 3.07Å; E322-Y325 VanDerWaalsContact O-N 3.08Å; Y325-L328 CarbonylContact O-C 3.58Å; Y325-L328 PolarHBondContact O-N 3.16Å; Y325-L328 VanDerWaalsContact O-N 3.13Å; Y325-G329 PolarHBondContact O-N 2.76Å; Y325-I330 WeakPolarHBondContact CB-O 3.47Å; Y325-I330 HydrophobicContact CD1-CB 3.96Å; Y325-I330 HydrophobicContact CD1-CG2 3.94Å; Y325-I330 WeakPolarHBondContact CD1-O 3.03Å; Y325-I330 HydrophobicContact CE1-CB 4.4Å; Y325-I330 HydrophobicContact CE1-CG2 3.98Å; Y325-I330 PolarHBondContact O-N 2.98Å; Y325-M332 HydrophobicContact CD1-CB 4.25Å; Y325-M332 HydrophobicContact CD2-CB 4.18Å; Y325-M332 HydrophobicContact CD2-CG 3.95Å; Y325-M332 HydrophobicContact CD2-SD 4.19Å; Y325-M332 HydrophobicContact CE2-CG 4.2Å; Y325-M332 HydrophobicContact CG-CB 3.92Å; Y325-M332 HydrophobicContact CG-CG 4.21Å; Y325-V336 HydrophobicContact CE2-CG1 4.09Å
326D97.1Very high95.3Very high128 Ų12845 Ų4568%0.68425%0.251SS*.Hα-helixtrans-59.7-47.6173.6-71.7-17.9000111.5E322 L328 G329E322-D326 WeakPolarHBondContact O-CB 3.33Å; E322-D326 VanDerWaalsContact O-CG 3.31Å; E322-D326 PolarHBondContact O-N 3.22Å; D326-L328 PolarHBondContact O-N 3.24Å; D326-G329 PolarHBondContact O-N 3.29Å; D326-G329 VanDerWaalsContact O-N 3.08Å
327F97.4Very high95.3Very high27 Ų2744.8 Ų44.812%0.11825%0.247CC..Hα-helixtrans-58.1-39174.8162.3-104000112K236 I238 M306 E323 I324 G329 P417K236-F327 HydrophobicContact CB-CE1 4.05Å; K236-F327 HydrophobicContact CB-CZ 4.25Å; K236-F327 HydrophobicContact CD-CE1 4.17Å; K236-F327 HydrophobicContact CD-CZ 4.22Å; K236-F327 HydrophobicContact CG-CZ 4.44Å; K236-F327 PolarHBondContact NZ-O 2.98Å; I238-F327 HydrophobicContact CG1-CE1 4.49Å; M306-F327 HydrophobicContact CB-CD1 3.68Å; M306-F327 HydrophobicContact CB-CD2 4.27Å; M306-F327 HydrophobicContact CB-CE1 3.61Å; M306-F327 HydrophobicContact CB-CE2 4.21Å; M306-F327 HydrophobicContact CB-CG 4.01Å; M306-F327 HydrophobicContact CB-CZ 3.9Å; M306-F327 HydrophobicContact CG-CD1 4.38Å; M306-F327 HydrophobicContact CG-CG 4.49Å; M306-F327 HydrophobicContact SD-CB 3.83Å; M306-F327 HydrophobicContact SD-CD1 3.82Å; M306-F327 HydrophobicContact SD-CG 3.88Å; E323-F327 WeakPolarHBondContact O-CB 3.35Å; E323-F327 PolarHBondContact O-N 3.04Å; E323-F327 VanDerWaalsContact O-N 3.09Å; I324-F327 PolarHBondContact O-N 2.85Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-P417 HydrophobicContact CB-CG 4.42Å; F327-P417 HydrophobicContact CD2-CB 3.68Å; F327-P417 HydrophobicContact CD2-CG 3.8Å; F327-P417 HydrophobicContact CE2-CB 4Å; F327-P417 HydrophobicContact CE2-CG 4.48Å; F327-P417 HydrophobicContact CG-CG 4.27Å
328L96.9Very high95.2Very high2 Ų250 Ų501%0.0127%0.265CS..Hα-helixtrans-73.1-24.1178.8-67.5173.5000112.8T69 V71 F88 K236 I238 I324 Y325 D326 I330T69-L328 HydrophobicContact CG2-CD2 4.45Å; V71-L328 HydrophobicContact CG1-CD1 4.41Å; V71-L328 HydrophobicContact CG1-CD2 4.26Å; V71-L328 HydrophobicContact CG2-CD1 4.04Å; V71-L328 HydrophobicContact CG2-CD2 3.79Å; F88-L328 HydrophobicContact CE1-CD1 3.36Å; F88-L328 HydrophobicContact CZ-CD1 3.76Å; K236-L328 HydrophobicContact CB-CD2 3.68Å; K236-L328 HydrophobicContact CD-CD2 3.67Å; K236-L328 HydrophobicContact CG-CD2 4.28Å; K236-L328 PolarHBondContact NZ-O 3.49Å; I238-L328 HydrophobicContact CD1-CD1 4.13Å; I238-L328 HydrophobicContact CD1-CD2 4.35Å; I238-L328 HydrophobicContact CD1-CG 4.5Å; I324-L328 HydrophobicContact CG2-CD1 4.04Å; I324-L328 VanDerWaalsContact O-CG 3.24Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 3.41Å; Y325-L328 CarbonylContact O-C 3.58Å; Y325-L328 PolarHBondContact O-N 3.16Å; Y325-L328 VanDerWaalsContact O-N 3.13Å; D326-L328 PolarHBondContact O-N 3.24Å; L328-I330 VanDerWaalsContact C-N 3.29Å; L328-I330 HydrophobicContact CB-CB 4.34Å; L328-I330 HydrophobicContact CB-CD1 3.92Å; L328-I330 HydrophobicContact CB-CG1 3.91Å; L328-I330 HydrophobicContact CD1-CD1 4.17Å
329G95.9Very high95Very high59 Ų5948.7 Ų48.761%0.60826%0.257SS*.THydrogen-bonded Turntrans70.828.7-17100000112Y325 D326 F327Y325-G329 PolarHBondContact O-N 2.76Å; D326-G329 PolarHBondContact O-N 3.29Å; D326-G329 VanDerWaalsContact O-N 3.08Å; F327-G329 VanDerWaalsContact C-N 3.3Å
330I96.1Very high94.8Very high5 Ų542.8 Ų42.83%0.02623%0.232CC..  trans-109.6126.2177.6-59173.9000106.6T69 H210 Y325 L328 M332T69-I330 HydrophobicContact CG2-CD1 4.07Å; T69-I330 HydrophobicContact CG2-CG1 4.5Å; H210-I330 HydrophobicContact CB-CD1 4.31Å; Y325-I330 WeakPolarHBondContact CB-O 3.47Å; Y325-I330 HydrophobicContact CD1-CB 3.96Å; Y325-I330 HydrophobicContact CD1-CG2 3.94Å; Y325-I330 WeakPolarHBondContact CD1-O 3.03Å; Y325-I330 HydrophobicContact CE1-CB 4.4Å; Y325-I330 HydrophobicContact CE1-CG2 3.98Å; Y325-I330 PolarHBondContact O-N 2.98Å; L328-I330 VanDerWaalsContact C-N 3.29Å; L328-I330 HydrophobicContact CB-CB 4.34Å; L328-I330 HydrophobicContact CB-CD1 3.92Å; L328-I330 HydrophobicContact CB-CG1 3.91Å; L328-I330 HydrophobicContact CD1-CD1 4.17Å; I330-M332 PolarHBondContact O-N 3.09Å
331P95.9Very high94.4Very high106 Ų10645.6 Ų45.669%0.68825%0.245SC*.PPolyproline II helixtrans-60.5133.5174-2233.3000110.9H91H91-P331 PolarHBondContact NE2-O 3.39Å
332M95.3Very high93.8Very high40 Ų4049.9 Ų49.920%0.19727%0.268CS..PPolyproline II helixtrans-75.9127.1176.8-173.3174.4171.700110.7M318 T321 E322 Y325 I330 V336 E337 I340M318-M332 HydrophobicContact CE-CE 4.32Å; T321-M332 HydrophobicContact CG2-CE 3.69Å; T321-M332 HydrophobicContact CG2-SD 3.98Å; E322-M332 HydrophobicContact CG-SD 3.99Å; Y325-M332 HydrophobicContact CD1-CB 4.25Å; Y325-M332 HydrophobicContact CD2-CB 4.18Å; Y325-M332 HydrophobicContact CD2-CG 3.95Å; Y325-M332 HydrophobicContact CD2-SD 4.19Å; Y325-M332 HydrophobicContact CE2-CG 4.2Å; Y325-M332 HydrophobicContact CG-CB 3.92Å; Y325-M332 HydrophobicContact CG-CG 4.21Å; I330-M332 PolarHBondContact O-N 3.09Å; M332-V336 HydrophobicContact CE-CB 3.93Å; M332-V336 HydrophobicContact CE-CG1 3.64Å; M332-V336 HydrophobicContact CG-CB 4.3Å; M332-E337 HydrophobicContact CE-CB 4.38Å; M332-E337 HydrophobicContact CE-CG 3.62Å; M332-E337 HydrophobicContact SD-CG 4.38Å; M332-I340 HydrophobicContact CE-CD1 3.67Å
333D91.9Very high93.1Very high28 Ų2846.6 Ų46.615%0.1525%0.253CS..PPolyproline II helixtrans-84.6146.7178.7-178.2-90.2000113.1F92 N335 V336 E337F92-D333 HydrophobicContact CD1-CB 3.87Å; F92-D333 VanDerWaalsContact CD1-CG 3.46Å; F92-D333 WeakPolarHBondContact CD1-OD2 3.45Å; F92-D333 HydrophobicContact CE1-CB 3.98Å; F92-D333 WeakPolarHBondContact CE1-OD2 3.12Å; D333-N335 PolarHBondContact O-N 3.13Å; D333-N335 VanDerWaalsContact O-N 3.13Å; D333-N335 WeakPolarHBondContact OD1-CA 3.09Å; D333-N335 WeakPolarHBondContact OD1-CB 3.35Å; D333-N335 PolarHBondContact OD1-N 3.43Å; D333-N335 PolarHBondContact OD1-ND2 2.93Å; D333-V336 HydrophobicContact CB-CG2 4.35Å; D333-V336 VanDerWaalsContact O-CB 3.31Å; D333-V336 WeakPolarHBondContact O-CB 3.5Å; D333-V336 PolarHBondContact O-N 3.41Å; D333-E337 PolarHBondContact O-N 2.94Å
334S92.8Very high92.3Very high59 Ų5944.5 Ų44.541%0.41324%0.244SC..Hα-helixtrans-56.5-27.4178.369.10000115V336 E337 R338S334-V336 VanDerWaalsContact C-N 3.32Å; S334-E337 PolarHBondContact O-N 3.17Å; S334-R338 WeakPolarHBondContact O-CB 3.42Å; S334-R338 PolarHBondContact O-N 3.36Å
335N91.8Very high91Very high47 Ų4754.1 Ų54.125%0.25128%0.281SS..Hα-helixtrans-67.2-35.2174.9-64.4-51.2000111.5Q90 D333 R338 W339Q90-N335 WeakPolarHBondContact O-CB 3.44Å; D333-N335 PolarHBondContact O-N 3.13Å; D333-N335 VanDerWaalsContact O-N 3.13Å; D333-N335 WeakPolarHBondContact OD1-CA 3.09Å; D333-N335 WeakPolarHBondContact OD1-CB 3.35Å; D333-N335 PolarHBondContact OD1-N 3.43Å; D333-N335 PolarHBondContact OD1-ND2 2.93Å; N335-R338 PolarHBondContact OD1-NH1 3.25Å; N335-W339 VanDerWaalsContact O-CB 3.23Å; N335-W339 WeakPolarHBondContact O-CB 3.08Å; N335-W339 PolarHBondContact O-N 2.92Å
336V93.8Very high89.1Confident0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-65.2-47.8175.1-172.80000109.2L87 Q90 H91 T321 Y325 M332 D333 S334 R338 W339 I340L87-V336 WeakPolarHBondContact O-CG1 3.21Å; Q90-V336 HydrophobicContact CB-CG2 4.23Å; H91-V336 HydrophobicContact CB-CG2 4Å; T321-V336 HydrophobicContact CG2-CG1 4.18Å; Y325-V336 HydrophobicContact CE2-CG1 4.09Å; M332-V336 HydrophobicContact CE-CB 3.93Å; M332-V336 HydrophobicContact CE-CG1 3.64Å; M332-V336 HydrophobicContact CG-CB 4.3Å; D333-V336 HydrophobicContact CB-CG2 4.35Å; D333-V336 VanDerWaalsContact O-CB 3.31Å; D333-V336 WeakPolarHBondContact O-CB 3.5Å; D333-V336 PolarHBondContact O-N 3.41Å; S334-V336 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.49Å; V336-W339 PolarHBondContact O-N 2.99Å; V336-I340 HydrophobicContact CG1-CD1 4.1Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.28Å; V336-I340 PolarHBondContact O-N 3.46Å
337E92.3Very high87Confident76 Ų7655.3 Ų55.336%0.35529%0.292SS..Hα-helixtrans-57.9-51.1177.3-58.5-178.5175.700111.8M318 M332 D333 S334 W339 I340 Q341M318-E337 HydrophobicContact CE-CB 4Å; M318-E337 HydrophobicContact CE-CG 3.94Å; M332-E337 HydrophobicContact CE-CB 4.38Å; M332-E337 HydrophobicContact CE-CG 3.62Å; M332-E337 HydrophobicContact SD-CG 4.38Å; D333-E337 PolarHBondContact O-N 2.94Å; S334-E337 PolarHBondContact O-N 3.17Å; E337-W339 VanDerWaalsContact C-N 3.29Å; E337-W339 PolarHBondContact O-N 2.95Å; E337-I340 PolarHBondContact O-N 3.35Å; E337-Q341 WeakPolarHBondContact O-CG 3.42Å; E337-Q341 PolarHBondContact O-N 2.76Å
338R90.6Very high84.5Confident125 Ų12562.6 Ų62.647%0.47232%0.318SS..Hα-helixtrans-59.1-42.2178.5-167.4-173.8-55.8122.28.7111.1S334 N335 V336 Q341 N342S334-R338 WeakPolarHBondContact O-CB 3.42Å; S334-R338 PolarHBondContact O-N 3.36Å; N335-R338 PolarHBondContact OD1-NH1 3.25Å; V336-R338 PolarHBondContact O-N 3.49Å; R338-Q341 PolarHBondContact O-N 3.05Å; R338-N342 WeakPolarHBondContact O-CB 3.03Å; R338-N342 VanDerWaalsContact O-CG 3.26Å; R338-N342 PolarHBondContact O-N 3.46Å
339W90.2Very high82Confident20 Ų2068.2 Ų68.28%0.07636%0.358CS..Hα-helixtrans-63.5-44177.5-177.195.5000111.7F83 Q86 L87 Q90 N335 V336 E337 N342 N343 T357F83-W339 AromaticContact CD2-CH2 3.64Å; F83-W339 HydrophobicContact CD2-CH2 3.64Å; F83-W339 AromaticContact CD2-CZ3 3.97Å; F83-W339 HydrophobicContact CD2-CZ3 3.97Å; F83-W339 AromaticContact CE2-CH2 3.67Å; F83-W339 HydrophobicContact CE2-CH2 3.67Å; F83-W339 AromaticContact CE2-CZ3 3.56Å; F83-W339 HydrophobicContact CE2-CZ3 3.56Å; F83-W339 HydrophobicContact CG-CH2 4.33Å; F83-W339 HydrophobicContact CZ-CH2 4.39Å; F83-W339 AromaticContact CZ-CZ3 3.88Å; F83-W339 HydrophobicContact CZ-CZ3 3.88Å; Q86-W339 HydrophobicContact CB-CD2 4.47Å; Q86-W339 HydrophobicContact CB-CE3 4.48Å; Q86-W339 HydrophobicContact CB-CH2 3.33Å; Q86-W339 HydrophobicContact CB-CZ2 3.25Å; Q86-W339 HydrophobicContact CB-CZ3 3.96Å; Q86-W339 HydrophobicContact CG-CH2 4.04Å; Q86-W339 HydrophobicContact CG-CZ2 3.6Å; L87-W339 HydrophobicContact CD2-CE3 4.44Å; L87-W339 HydrophobicContact CD2-CZ3 4.04Å; Q90-W339 HydrophobicContact CB-CB 4.3Å; Q90-W339 HydrophobicContact CB-CG 4.46Å; Q90-W339 HydrophobicContact CG-CB 3.81Å; Q90-W339 HydrophobicContact CG-CD2 3.91Å; Q90-W339 HydrophobicContact CG-CG 3.49Å; Q90-W339 VanDerWaalsContact CG-CG 3.49Å; N335-W339 VanDerWaalsContact O-CB 3.23Å; N335-W339 WeakPolarHBondContact O-CB 3.08Å; N335-W339 PolarHBondContact O-N 2.92Å; V336-W339 PolarHBondContact O-N 2.99Å; E337-W339 VanDerWaalsContact C-N 3.29Å; E337-W339 PolarHBondContact O-N 2.95Å; W339-N342 PolarHBondContact O-N 3.47Å; W339-N343 VanDerWaalsContact CD1-ND2 3.34Å; W339-N343 HydrophobicContact CD2-CB 4.26Å; W339-N343 VanDerWaalsContact CE2-CG 3.45Å; W339-N343 HydrophobicContact CE3-CB 4.38Å; W339-N343 HydrophobicContact CH2-CB 4.17Å; W339-N343 HydrophobicContact CZ2-CB 4.06Å; W339-N343 HydrophobicContact CZ3-CB 4.34Å; W339-N343 PolarHBondContact NE1-ND2 3.35Å; W339-N343 VanDerWaalsContact O-CB 3.27Å; W339-N343 WeakPolarHBondContact O-CB 3.46Å; W339-N343 PolarHBondContact O-N 3.06Å; W339-N343 PolarHBondContact O-ND2 3.01Å; W339-T357 HydrophobicContact CH2-CG2 4.11Å; W339-T357 HydrophobicContact CZ2-CG2 4.02Å; W339-T357 WeakPolarHBondContact CZ2-OG1 3.49Å
340I90.4Very high79.6Confident0 Ų068.4 Ų68.40%035%0.35CS..Hα-helixtrans-59.7-49.8177.3-68.1164.1000110.3L87 P317 M318 T321 M332 V336 E337 N342 N343 T344L87-I340 HydrophobicContact CD2-CD1 3.91Å; L87-I340 HydrophobicContact CD2-CG1 3.78Å; P317-I340 HydrophobicContact CB-CG2 3.84Å; P317-I340 HydrophobicContact CG-CG2 4.12Å; M318-I340 HydrophobicContact CG-CG2 4.02Å; M318-I340 HydrophobicContact SD-CB 3.7Å; M318-I340 HydrophobicContact SD-CD1 3.87Å; M318-I340 HydrophobicContact SD-CG1 4.42Å; M318-I340 HydrophobicContact SD-CG2 3.46Å; M318-I340 WeakPolarHBondContact SD-CG2 3.46Å; T321-I340 HydrophobicContact CG2-CD1 3.87Å; M332-I340 HydrophobicContact CE-CD1 3.67Å; V336-I340 HydrophobicContact CG1-CD1 4.1Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.28Å; V336-I340 PolarHBondContact O-N 3.46Å; E337-I340 PolarHBondContact O-N 3.35Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 3.18Å; I340-N343 PolarHBondContact O-N 2.62Å; I340-T344 HydrophobicContact CG2-CG2 3.99Å; I340-T344 WeakPolarHBondContact O-CB 3.24Å; I340-T344 WeakPolarHBondContact O-CG2 3.16Å; I340-T344 PolarHBondContact O-N 3.25Å; I340-T344 PolarHBondContact O-OG1 3.33Å
341Q87.5Confident77.2Confident89 Ų8970 Ų7042%0.41636%0.361SS..Hα-helixtrans-57.3-44.1-179.7-69.3175.82.300111.6M318 E337 R338M318-Q341 HydrophobicContact SD-CG 4.45Å; E337-Q341 WeakPolarHBondContact O-CG 3.42Å; E337-Q341 PolarHBondContact O-N 2.76Å; R338-Q341 PolarHBondContact O-N 3.05Å
342N84.9Confident75Confident90 Ų9073.3 Ų73.348%0.48137%0.365SS..Hα-helixtrans-71.6-33.1179.9-70.2-8.2000113.3R338 W339 I340R338-N342 WeakPolarHBondContact O-CB 3.03Å; R338-N342 VanDerWaalsContact O-CG 3.26Å; R338-N342 PolarHBondContact O-N 3.46Å; W339-N342 PolarHBondContact O-N 3.47Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 3.18Å
343N82.7Confident73.1Confident17 Ų1776.8 Ų76.89%0.09138%0.381CS..Hα-helixtrans-95.5-17.2-172.4-77-103.6000114.3W339 I340 T357 V358 R359W339-N343 VanDerWaalsContact CD1-ND2 3.34Å; W339-N343 HydrophobicContact CD2-CB 4.26Å; W339-N343 VanDerWaalsContact CE2-CG 3.45Å; W339-N343 HydrophobicContact CE3-CB 4.38Å; W339-N343 HydrophobicContact CH2-CB 4.17Å; W339-N343 HydrophobicContact CZ2-CB 4.06Å; W339-N343 HydrophobicContact CZ3-CB 4.34Å; W339-N343 PolarHBondContact NE1-ND2 3.35Å; W339-N343 VanDerWaalsContact O-CB 3.27Å; W339-N343 WeakPolarHBondContact O-CB 3.46Å; W339-N343 PolarHBondContact O-N 3.06Å; W339-N343 PolarHBondContact O-ND2 3.01Å; I340-N343 PolarHBondContact O-N 2.62Å; N343-T357 PolarHBondContact OD1-OG1 2.94Å; N343-V358 HydrophobicContact CB-CG2 4.49Å; N343-V358 CarbonylContact O-C 3.56Å; N343-V358 WeakPolarHBondContact O-CA 3.3Å; N343-V358 WeakPolarHBondContact OD1-CG2 3.23Å; N343-R359 PolarHBondContact O-N 2.84Å; N343-R359 VanDerWaalsContact O-O 3.07Å
344T78.8Confident71.1Confident14 Ų1481.2 Ų81.29%0.08640%0.398CS..Hα-helixtrans-103.2-14-174.859.40000114.4F83 P317 I340 R359 N360F83-T344 HydrophobicContact CE2-CG2 3.54Å; F83-T344 HydrophobicContact CZ-CG2 3.51Å; P317-T344 HydrophobicContact CB-CG2 3.89Å; P317-T344 HydrophobicContact CG-CG2 3.85Å; I340-T344 HydrophobicContact CG2-CG2 3.99Å; I340-T344 WeakPolarHBondContact O-CB 3.24Å; I340-T344 WeakPolarHBondContact O-CG2 3.16Å; I340-T344 PolarHBondContact O-N 3.25Å; I340-T344 PolarHBondContact O-OG1 3.33Å; T344-R359 CarbonylContact C-O 3.58Å; T344-R359 WeakPolarHBondContact CA-O 3.02Å; T344-N360 WeakPolarHBondContact O-CA 3.5Å
345R71.4Confident69.3Low203 Ų20383.1 Ų83.177%0.76640%0.397SS*.SBendtrans-102.6-5.3179.6-60.7-176.9178.7-166.20.7113.9
346G58.2Low67.6Low19 Ų1982.1 Ų82.120%0.19640%0.398CS..  trans-76.1145.8-172.500000115.1R359 N360G346-R359 CarbonylContact O-C 3.19Å; G346-N360 PolarHBondContact O-N 3.22Å
347D51.2Low65.9Low135 Ų13583.6 Ų83.672%0.72241%0.407SS*.  trans-83.6158.3172.7-130-24.1000112.3S349D347-S349 PolarHBondContact O-N 3.02Å
348R46.7Very low64.5Low180 Ų18081.7 Ų81.768%0.67940%0.401SS*.G310 helixtrans-53.3-16.6-164.7-86.7174123.9171.1-3.6117.6S350R348-S350 VanDerWaalsContact C-N 3.33Å; R348-S350 PolarHBondContact O-N 3.11Å
349S43.3Very low63.2Low120 Ų12079.1 Ų79.184%0.83939%0.391SS*.G310 helixtrans-76.8-11.2-166.158.40000115.3D347D347-S349 PolarHBondContact O-N 3.02Å
350S45Very low62.4Low63 Ų6381.9 Ų81.944%0.44141%0.407SS..G310 helixtrans-96.9-16.4-170.950.90000115.8R348 V358R348-S350 VanDerWaalsContact C-N 3.33Å; R348-S350 PolarHBondContact O-N 3.11Å; S350-V358 WeakPolarHBondContact OG-CG1 3.13Å
351S46.5Very low61.7Low38 Ų3882.7 Ų82.727%0.26641%0.413SS..  trans-97.9104.1-178.781.20000112.5H353S351-H353 VanDerWaalsContact C-N 3.3Å; S351-H353 PolarHBondContact O-N 3.08Å
352K50.7Low61.1Low177 Ų17780.4 Ų80.477%0.7741%0.409SS*.  trans-76-8.9178.6-67.3178.1-177.5170.50114.6
353H55.4Low60.7Low113 Ų11378.3 Ų78.352%0.52341%0.405SS..SBendtrans-127.2149.3-171.6-59.8-47.6000115.2E185 S351 Y355 G356E185-H353 IonicContact OE2-NE2 3.52Å; S351-H353 VanDerWaalsContact C-N 3.3Å; S351-H353 PolarHBondContact O-N 3.08Å; H353-Y355 PolarHBondContact O-N 2.99Å; H353-Y355 VanDerWaalsContact O-N 3.08Å; H353-G356 PolarHBondContact O-N 3.21Å
354K50.1Low60.6Low121 Ų12178.1 Ų78.153%0.52640%0.404SS..THydrogen-bonded Turntrans-61.4-19.3-176.7-65.8-173.5-178.5178.40114.8R78 T254R78-K354 PolarHBondContact NH1-O 3.15Å; T254-K354 HydrophobicContact CG2-CD 4.09Å; T254-K354 PolarHBondContact O-NZ 3.38Å; T254-K354 VanDerWaalsContact O-NZ 3.16Å
355Y53.2Low61Low99 Ų9977.7 Ų77.739%0.38840%0.401SS..THydrogen-bonded Turntrans-105.35178.1-56-70.7000113.9H353H353-Y355 PolarHBondContact O-N 2.99Å; H353-Y355 VanDerWaalsContact O-N 3.08Å
356G56.2Low62Low26 Ų2669.5 Ų69.527%0.26837%0.372SS..  trans-61.8143.4-178.900000113.2H353 R359H353-G356 PolarHBondContact O-N 3.21Å; G356-R359 PolarHBondContact O-NE 3.24Å
357T59.9Low63.5Low31 Ų3171 Ų7119%0.1937%0.373CS..  trans-94-20.5-17446.80000114.4F83 Q86 W339 N343 R359F83-T357 HydrophobicContact CB-CG2 4.42Å; Q86-T357 HydrophobicContact CG-CG2 3.98Å; W339-T357 HydrophobicContact CH2-CG2 4.11Å; W339-T357 HydrophobicContact CZ2-CG2 4.02Å; W339-T357 WeakPolarHBondContact CZ2-OG1 3.49Å; N343-T357 PolarHBondContact OD1-OG1 2.94Å; T357-R359 PolarHBondContact O-N 2.84Å
358V61.8Low65.6Low36 Ų3665.1 Ų65.122%0.21834%0.341CS..  trans-72.7104.8179.2-1740000110.9N343 S350N343-V358 HydrophobicContact CB-CG2 4.49Å; N343-V358 CarbonylContact O-C 3.56Å; N343-V358 WeakPolarHBondContact O-CA 3.3Å; N343-V358 WeakPolarHBondContact OD1-CG2 3.23Å; S350-V358 WeakPolarHBondContact OG-CG1 3.13Å
359R63.6Low68Low70 Ų7056.6 Ų56.626%0.26431%0.309SS..SBendtrans-160.1155.6177.5-56.1-176.8-177.8-157.8-7.6110.7N343 T344 G346 G356 T357 S361N343-R359 PolarHBondContact O-N 2.84Å; N343-R359 VanDerWaalsContact O-O 3.07Å; T344-R359 CarbonylContact C-O 3.58Å; T344-R359 WeakPolarHBondContact CA-O 3.02Å; G346-R359 CarbonylContact O-C 3.19Å; G356-R359 PolarHBondContact O-NE 3.24Å; T357-R359 PolarHBondContact O-N 2.84Å; R359-S361 PolarHBondContact O-N 2.9Å
360N73.4Confident70.4Confident79 Ų7956.4 Ų56.442%0.42229%0.293SS..  trans-59.2104.9152.2-175.4-38.5000109T344 G346 A362 A363 T364T344-N360 WeakPolarHBondContact O-CA 3.5Å; G346-N360 PolarHBondContact O-N 3.22Å; N360-A362 PolarHBondContact OD1-N 3.33Å; N360-A363 HydrophobicContact CB-CB 4.19Å; N360-A363 WeakPolarHBondContact OD1-CB 3.08Å; N360-A363 PolarHBondContact OD1-N 2.82Å; N360-T364 VanDerWaalsContact O-CB 3.24Å; N360-T364 WeakPolarHBondContact O-CB 3.38Å; N360-T364 PolarHBondContact O-N 3.46Å; N360-T364 VanDerWaalsContact O-N 3.08Å; N360-T364 PolarHBondContact O-OG1 3.12Å
361S75.3Confident72.6Confident16 Ų1657.9 Ų57.911%0.11229%0.289CS..Hα-helixtrans-68.9-45.8-171.550.30000111.4A314 R359 T364 A365A314-S361 VanDerWaalsContact O-CB 3.27Å; A314-S361 WeakPolarHBondContact O-CB 3.45Å; A314-S361 PolarHBondContact O-OG 2.99Å; R359-S361 PolarHBondContact O-N 2.9Å; S361-T364 PolarHBondContact O-N 2.89Å; S361-A365 PolarHBondContact O-N 3.38Å
362A74.8Confident74.9Confident41 Ų4156.8 Ų56.834%0.33928%0.28SS..Hα-helixtrans-61.7-50.7179.500000111.7A314 N360 T364 A365A314-A362 PolarHBondContact O-N 3.04Å; N360-A362 PolarHBondContact OD1-N 3.33Å; A362-T364 PolarHBondContact O-N 2.05Å; A362-A365 WeakPolarHBondContact O-CB 3.44Å; A362-A365 PolarHBondContact O-N 2.65Å; A362-A365 VanDerWaalsContact O-N 3.1Å
363A77Confident77.1Confident47 Ų4749.6 Ų49.639%0.38825%0.252SS..Hα-helixtrans-63.3-31.1177.100000112N360 A365 E366 K367N360-A363 HydrophobicContact CB-CB 4.19Å; N360-A363 WeakPolarHBondContact OD1-CB 3.08Å; N360-A363 PolarHBondContact OD1-N 2.82Å; A363-A365 VanDerWaalsContact C-N 3.33Å; A363-E366 PolarHBondContact O-N 3.17Å; A363-K367 WeakPolarHBondContact O-CG 3.23Å; A363-K367 PolarHBondContact O-N 3.07Å
364T80.6Confident79Confident13 Ų1347.2 Ų47.28%0.0824%0.239CC..Hα-helixtrans-71.4-28.4177.3-63.90000112.9N360 S361 A362 E366 K367N360-T364 VanDerWaalsContact O-CB 3.24Å; N360-T364 WeakPolarHBondContact O-CB 3.38Å; N360-T364 PolarHBondContact O-N 3.46Å; N360-T364 VanDerWaalsContact O-N 3.08Å; N360-T364 PolarHBondContact O-OG1 3.12Å; S361-T364 PolarHBondContact O-N 2.89Å; A362-T364 PolarHBondContact O-N 2.05Å; T364-E366 VanDerWaalsContact C-N 3.35Å; T364-K367 HydrophobicContact CG2-CD 4.44Å; T364-K367 PolarHBondContact OG1-NZ 3.07Å
365A87.1Confident81.3Confident4 Ų446 Ų463%0.03324%0.235CC..Hα-helixtrans-65.4-37.8174.500000112.1Y310 E311 A314 S361 A362 A363Y310-A365 HydrophobicContact CE1-CB 3.92Å; E311-A365 HydrophobicContact CG-CB 4.45Å; A314-A365 HydrophobicContact CB-CB 4.07Å; S361-A365 PolarHBondContact O-N 3.38Å; A362-A365 WeakPolarHBondContact O-CB 3.44Å; A362-A365 PolarHBondContact O-N 2.65Å; A362-A365 VanDerWaalsContact O-N 3.1Å; A363-A365 VanDerWaalsContact C-N 3.33Å
366E91.6Very high83.4Confident32 Ų3241.4 Ų41.415%0.1522%0.217CC..Hα-helixtrans-83.1-12.9-177.9-62.5-63.4141.200114.2A363 T364 W368 R369 L405A363-E366 PolarHBondContact O-N 3.17Å; T364-E366 VanDerWaalsContact C-N 3.35Å; E366-W368 PolarHBondContact O-N 2.87Å; E366-R369 WeakPolarHBondContact O-CB 3.42Å; E366-R369 WeakPolarHBondContact O-CG 3.39Å; E366-R369 PolarHBondContact O-N 3.33Å; E366-R369 WeakPolarHBondContact OE2-CD 3.47Å; E366-R369 IonicContact OE2-CZ 2.95Å; E366-R369 IonicContact OE2-NE 3.76Å; E366-R369 IonicContact OE2-NH1 2.71Å; E366-R369 PolarHBondContact OE2-NH1 3.48Å; E366-R369 VanDerWaalsContact OE2-NH1 3.17Å; E366-L405 HydrophobicContact CB-CD2 4.05Å; E366-L405 HydrophobicContact CG-CD2 4.39Å
367K90.6Very high85.4Confident49 Ų4940.1 Ų40.121%0.21320%0.204CC..G310 helixtrans-54.6-26.8-172.8-87.8172.6-169.3158.10115.3A363 T364 R369 F370 R371A363-K367 WeakPolarHBondContact O-CG 3.23Å; A363-K367 PolarHBondContact O-N 3.07Å; T364-K367 HydrophobicContact CG2-CD 4.44Å; T364-K367 PolarHBondContact OG1-NZ 3.07Å; K367-R369 PolarHBondContact O-N 3.36Å; K367-F370 PolarHBondContact O-N 2.94Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.5Å
368W95.4Very high87.2Confident12 Ų1239.1 Ų39.15%0.04520%0.199CC..G310 helixtrans-66.5-26.8-178.168.8-95.3000112.4R245 A249 E366 F370 R371 L372 V377 L402 L409R245-W368 HydrophobicContact CB-CD2 4.01Å; R245-W368 HydrophobicContact CB-CE3 3.62Å; R245-W368 HydrophobicContact CB-CH2 4.07Å; R245-W368 HydrophobicContact CB-CZ2 4.39Å; R245-W368 HydrophobicContact CB-CZ3 3.66Å; R245-W368 HydrophobicContact CG-CH2 4.4Å; R245-W368 HydrophobicContact CG-CZ3 4.2Å; R245-W368 VanDerWaalsContact CZ-CH2 3.46Å; R245-W368 VanDerWaalsContact NE-CH2 3.29Å; A249-W368 HydrophobicContact CB-CB 3.58Å; E366-W368 PolarHBondContact O-N 2.87Å; W368-F370 PolarHBondContact O-N 3.1Å; W368-F370 VanDerWaalsContact O-N 3.16Å; W368-R371 PolarHBondContact O-N 3.01Å; W368-L372 PolarHBondContact O-N 3.41Å; W368-V377 HydrophobicContact CE3-CG2 4.31Å; W368-V377 HydrophobicContact CZ3-CG1 4.1Å; W368-V377 HydrophobicContact CZ3-CG2 3.86Å; W368-L402 HydrophobicContact CE3-CD1 4.43Å; W368-L402 HydrophobicContact CH2-CD1 3.89Å; W368-L402 HydrophobicContact CZ3-CD1 3.57Å; W368-L409 HydrophobicContact CH2-CD1 3.79Å; W368-L409 HydrophobicContact CZ2-CD1 4.01Å
369R95.8Very high88.9Confident1 Ų139.1 Ų39.10%0.00420%0.196CC..G310 helixtrans-60.2-25.2179.4-64.2178.367.9171.94.3113.6E366 K367 E401 L402 N404 I407 L409E366-R369 WeakPolarHBondContact O-CB 3.42Å; E366-R369 WeakPolarHBondContact O-CG 3.39Å; E366-R369 PolarHBondContact O-N 3.33Å; E366-R369 WeakPolarHBondContact OE2-CD 3.47Å; E366-R369 IonicContact OE2-CZ 2.95Å; E366-R369 IonicContact OE2-NE 3.76Å; E366-R369 IonicContact OE2-NH1 2.71Å; E366-R369 PolarHBondContact OE2-NH1 3.48Å; E366-R369 VanDerWaalsContact OE2-NH1 3.17Å; K367-R369 PolarHBondContact O-N 3.36Å; R369-E401 PolarHBondContact NH2-O 3.21Å; R369-L402 HydrophobicContact CB-CD1 4.12Å; R369-L402 WeakPolarHBondContact CB-O 3.22Å; R369-L402 HydrophobicContact CG-CD1 4.13Å; R369-L402 VanDerWaalsContact CZ-O 3.27Å; R369-L402 PolarHBondContact NE-O 2.88Å; R369-L402 PolarHBondContact NH2-O 3.06Å; R369-N404 VanDerWaalsContact NH2-C 3.27Å; R369-N404 PolarHBondContact NH2-O 3.49Å; R369-I407 PolarHBondContact NH1-O 3.2Å; R369-I407 PolarHBondContact NH2-O 3.42Å; R369-L409 HydrophobicContact CG-CD1 4.43Å
370F94.3Very high90.5Very high116 Ų11635.8 Ų35.851%0.50918%0.184SC..G310 helixtrans-106.3-1.8178.2-56-77.9000113.8K367 W368 K403 L405K367-F370 PolarHBondContact O-N 2.94Å; W368-F370 PolarHBondContact O-N 3.1Å; W368-F370 VanDerWaalsContact O-N 3.16Å; F370-K403 HydrophobicContact CD1-CB 4.47Å; F370-K403 HydrophobicContact CD1-CG 4.2Å; F370-K403 HydrophobicContact CE1-CB 4.03Å; F370-K403 HydrophobicContact CE1-CG 4.25Å; F370-L405 HydrophobicContact CE2-CD1 3.89Å; F370-L405 HydrophobicContact CE2-CD2 3.78Å; F370-L405 HydrophobicContact CE2-CG 3.97Å; F370-L405 HydrophobicContact CZ-CD1 3.88Å; F370-L405 HydrophobicContact CZ-CD2 3.95Å; F370-L405 HydrophobicContact CZ-CG 3.74Å
371R91.7Very high91.7Very high95 Ų9532.8 Ų32.836%0.35817%0.167SC..THydrogen-bonded Turntrans-107-14.9-173.8-76.7-179.7174.6-140-7.9114.1A249 K367 W368A249-R371 HydrophobicContact CB-CB 4.4Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.5Å; W368-R371 PolarHBondContact O-N 3.01Å
372L94.4Very high92.8Very high14 Ų1439.9 Ų39.97%0.07319%0.191CC..SBendtrans-118.5137.7178.2-64.8179.1000108R245 L248 A249 W368 I376 V377R245-L372 WeakPolarHBondContact O-CD1 3.38Å; L248-L372 HydrophobicContact CD2-CD1 4.49Å; A249-L372 HydrophobicContact CB-CD1 3.8Å; A249-L372 HydrophobicContact CB-CD2 4.1Å; A249-L372 HydrophobicContact CB-CG 3.75Å; W368-L372 PolarHBondContact O-N 3.41Å; L372-I376 HydrophobicContact CB-CG2 4.46Å; L372-I376 HydrophobicContact CD1-CG2 4.25Å; L372-I376 HydrophobicContact CD2-CG2 4.06Å; L372-I376 HydrophobicContact CG-CG2 4.49Å; L372-V377 HydrophobicContact CB-CG2 3.76Å; L372-V377 HydrophobicContact CD1-CG2 4.24Å
373S96.3Very high93.9Very high27 Ų2740 Ų4019%0.18919%0.193CC..  trans-58.9151.8165.873.60000111.3D266 E375 I376 V377D266-S373 PolarHBondContact OD1-N 3.2Å; S373-E375 PolarHBondContact O-N 3.21Å; S373-I376 PolarHBondContact O-N 2.93Å; S373-I376 WeakPolarHBondContact OG-CG1 3.35Å; S373-I376 PolarHBondContact OG-N 3.18Å; S373-V377 PolarHBondContact O-N 2.84Å; S373-V377 VanDerWaalsContact O-N 3.09Å
374Y97.1Very high94.9Very high63 Ų6338 Ų3825%0.24718%0.175CC..Hα-helixtrans-58.3-34.3177.6177.2-111.6000112.1I376 V377 A378 A396 S397 S398 E399 L402Y374-I376 PolarHBondContact O-N 3.14Å; Y374-V377 PolarHBondContact O-N 2.67Å; Y374-A378 HydrophobicContact CE1-CB 4.4Å; Y374-A378 HydrophobicContact CE2-CB 4.48Å; Y374-A378 WeakPolarHBondContact O-CB 3.49Å; Y374-A378 PolarHBondContact O-N 3.19Å; Y374-A396 HydrophobicContact CE2-CB 4.48Å; Y374-A396 PolarHBondContact OH-O 3.15Å; Y374-S397 VanDerWaalsContact CZ-C 3.49Å; Y374-S397 WeakPolarHBondContact OH-CA 3.39Å; Y374-S397 PolarHBondContact OH-O 2.98Å; Y374-S398 WeakPolarHBondContact CD2-O 3.4Å; Y374-E399 HydrophobicContact CG-CB 4.35Å; Y374-L402 HydrophobicContact CD2-CB 4.44Å; Y374-L402 HydrophobicContact CD2-CD2 4.28Å
375E96.4Very high95.8Very high96 Ų9643.8 Ų43.845%0.44920%0.201SC..Hα-helixtrans-60.4-44.2176.7-62.5-173.1168.100113.2W265 S373 V377 A378 F379W265-E375 HydrophobicContact CZ2-CB 4.19Å; W265-E375 PolarHBondContact NE1-OE2 3.1Å; S373-E375 PolarHBondContact O-N 3.21Å; E375-V377 VanDerWaalsContact C-N 3.34Å; E375-A378 PolarHBondContact O-N 3.26Å; E375-F379 WeakPolarHBondContact O-CB 3.35Å; E375-F379 PolarHBondContact O-N 3.37Å
376I97.6Very high96.2Very high1 Ų149.6 Ų49.61%0.00523%0.228CC..Hα-helixtrans-67.2-40.5177.6-68.9172.2000110.1L248 W262 W265 D266 L372 S373 Y374 F379 T380L248-I376 HydrophobicContact CD2-CG2 3.76Å; W262-I376 HydrophobicContact CE3-CG2 4.2Å; W262-I376 HydrophobicContact CZ3-CG2 4.09Å; W265-I376 HydrophobicContact CB-CD1 4.22Å; W265-I376 HydrophobicContact CD2-CD1 4.13Å; W265-I376 HydrophobicContact CD2-CG1 3.53Å; W265-I376 HydrophobicContact CE3-CD1 4.38Å; W265-I376 HydrophobicContact CE3-CG1 3.72Å; W265-I376 HydrophobicContact CG-CD1 4.07Å; W265-I376 HydrophobicContact CG-CG1 3.95Å; W265-I376 HydrophobicContact CH2-CG1 4.35Å; W265-I376 HydrophobicContact CZ2-CG1 4.16Å; W265-I376 HydrophobicContact CZ3-CG1 4.14Å; D266-I376 HydrophobicContact CB-CD1 3.56Å; L372-I376 HydrophobicContact CB-CG2 4.46Å; L372-I376 HydrophobicContact CD1-CG2 4.25Å; L372-I376 HydrophobicContact CD2-CG2 4.06Å; L372-I376 HydrophobicContact CG-CG2 4.49Å; S373-I376 PolarHBondContact O-N 2.93Å; S373-I376 WeakPolarHBondContact OG-CG1 3.35Å; S373-I376 PolarHBondContact OG-N 3.18Å; Y374-I376 PolarHBondContact O-N 3.14Å; I376-F379 PolarHBondContact O-N 3Å; I376-T380 WeakPolarHBondContact O-CB 3.33Å; I376-T380 PolarHBondContact O-N 2.81Å; I376-T380 PolarHBondContact O-OG1 2.87Å
377V98.1Very high96.5Very high0 Ų048.2 Ų48.20%022%0.221CC..Hα-helixtrans-61.7-49.9175.71700000110.6W368 L372 S373 Y374 E375 F379 T380 Q381 L402W368-V377 HydrophobicContact CE3-CG2 4.31Å; W368-V377 HydrophobicContact CZ3-CG1 4.1Å; W368-V377 HydrophobicContact CZ3-CG2 3.86Å; L372-V377 HydrophobicContact CB-CG2 3.76Å; L372-V377 HydrophobicContact CD1-CG2 4.24Å; S373-V377 PolarHBondContact O-N 2.84Å; S373-V377 VanDerWaalsContact O-N 3.09Å; Y374-V377 PolarHBondContact O-N 2.67Å; E375-V377 VanDerWaalsContact C-N 3.34Å; V377-F379 VanDerWaalsContact C-N 3.32Å; V377-F379 PolarHBondContact O-N 3.32Å; V377-T380 PolarHBondContact O-N 2.71Å; V377-T380 VanDerWaalsContact O-N 3.14Å; V377-Q381 HydrophobicContact CG1-CG 4.32Å; V377-Q381 VanDerWaalsContact O-CG 3.29Å; V377-Q381 WeakPolarHBondContact O-CG 3.5Å; V377-Q381 PolarHBondContact O-N 3.25Å; V377-L402 HydrophobicContact CB-CD2 4.19Å; V377-L402 HydrophobicContact CG1-CD1 4.2Å; V377-L402 HydrophobicContact CG1-CD2 4.42Å; V377-L402 HydrophobicContact CG2-CD1 4.26Å; V377-L402 HydrophobicContact CG2-CD2 3.78Å
378A98.1Very high96.9Very high10 Ų1046 Ų468%0.08321%0.212CC..Hα-helixtrans-61.1-40.3178.900000111.8Y374 E375 Q381 R382Y374-A378 HydrophobicContact CE1-CB 4.4Å; Y374-A378 HydrophobicContact CE2-CB 4.48Å; Y374-A378 WeakPolarHBondContact O-CB 3.49Å; Y374-A378 PolarHBondContact O-N 3.19Å; E375-A378 PolarHBondContact O-N 3.26Å; A378-Q381 PolarHBondContact O-N 3.01Å; A378-R382 WeakPolarHBondContact O-CG 3.38Å; A378-R382 PolarHBondContact O-N 2.71Å; A378-R382 VanDerWaalsContact O-N 3.15Å; A378-R382 PolarHBondContact O-NH1 3.34Å
379F97.8Very high97Very high36 Ų3648.6 Ų48.616%0.15824%0.236CC..Hα-helixtrans-61.9-46.5173178.2-94.1000112.2W262 W265 V277 L280 E375 I376 V377 Q381 R382 A383W262-F379 AromaticContact CH2-CD1 3.95Å; W262-F379 HydrophobicContact CH2-CD1 3.95Å; W262-F379 AromaticContact CH2-CE1 3.8Å; W262-F379 HydrophobicContact CH2-CE1 3.8Å; W262-F379 HydrophobicContact CZ3-CD1 4.2Å; W262-F379 HydrophobicContact CZ3-CE1 4.47Å; W265-F379 HydrophobicContact CH2-CB 3.48Å; W265-F379 VanDerWaalsContact CH2-CB 3.48Å; W265-F379 HydrophobicContact CH2-CD1 4.03Å; W265-F379 HydrophobicContact CH2-CD2 4.04Å; W265-F379 AromaticContact CH2-CG 3.56Å; W265-F379 HydrophobicContact CH2-CG 3.56Å; W265-F379 HydrophobicContact CZ2-CB 4.31Å; W265-F379 HydrophobicContact CZ3-CB 4.27Å; W265-F379 HydrophobicContact CZ3-CD1 4.03Å; W265-F379 HydrophobicContact CZ3-CG 4.04Å; V277-F379 HydrophobicContact CG1-CE1 3.85Å; V277-F379 HydrophobicContact CG1-CZ 3.81Å; L280-F379 HydrophobicContact CD2-CD1 4.44Å; L280-F379 HydrophobicContact CD2-CE1 4.2Å; E375-F379 WeakPolarHBondContact O-CB 3.35Å; E375-F379 PolarHBondContact O-N 3.37Å; I376-F379 PolarHBondContact O-N 3Å; V377-F379 VanDerWaalsContact C-N 3.32Å; V377-F379 PolarHBondContact O-N 3.32Å; F379-Q381 VanDerWaalsContact C-N 3.33Å; F379-Q381 PolarHBondContact O-N 3.18Å; F379-R382 PolarHBondContact O-N 3.34Å; F379-A383 PolarHBondContact O-N 2.95Å
380T98.3Very high97Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-63.2-40.3179.1-57.20000111.4R245 L248 L280 I376 V377 R382 A383 C384R245-T380 HydrophobicContact CB-CG2 4.42Å; R245-T380 HydrophobicContact CG-CG2 3.66Å; L248-T380 WeakPolarHBondContact CD2-OG1 3.33Å; L280-T380 HydrophobicContact CD1-CG2 3.9Å; L280-T380 HydrophobicContact CD2-CG2 4.14Å; I376-T380 WeakPolarHBondContact O-CB 3.33Å; I376-T380 PolarHBondContact O-N 2.81Å; I376-T380 PolarHBondContact O-OG1 2.87Å; V377-T380 PolarHBondContact O-N 2.71Å; V377-T380 VanDerWaalsContact O-N 3.14Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.34Å; T380-A383 PolarHBondContact O-N 2.89Å; T380-C384 WeakPolarHBondContact O-CB 3.33Å; T380-C384 PolarHBondContact O-N 3.43Å
381Q98.3Very high97.2Very high15 Ų1544.1 Ų44.17%0.0722%0.217CC..Hα-helixtrans-60.3-42.2176-74172.8175.500112.3V377 A378 F379 Q385 L388 T395 A396V377-Q381 HydrophobicContact CG1-CG 4.32Å; V377-Q381 VanDerWaalsContact O-CG 3.29Å; V377-Q381 WeakPolarHBondContact O-CG 3.5Å; V377-Q381 PolarHBondContact O-N 3.25Å; A378-Q381 PolarHBondContact O-N 3.01Å; F379-Q381 VanDerWaalsContact C-N 3.33Å; F379-Q381 PolarHBondContact O-N 3.18Å; Q381-Q385 WeakPolarHBondContact O-CA 3.39Å; Q381-Q385 WeakPolarHBondContact O-CB 3.22Å; Q381-Q385 PolarHBondContact O-N 3.44Å; Q381-L388 HydrophobicContact CB-CD1 4.21Å; Q381-L388 HydrophobicContact CG-CD1 4.03Å; Q381-T395 HydrophobicContact CB-CG2 4.29Å; Q381-T395 HydrophobicContact CG-CG2 4.21Å; Q381-A396 PolarHBondContact NE2-O 3.42Å
382R98.1Very high97.4Very high166 Ų16639.6 Ų39.663%0.62620%0.2SC*.Hα-helixtrans-67.2-45.7175.7-70.5-172.2-63.1-89.13.7111.8A378 F379 T380 C384A378-R382 WeakPolarHBondContact O-CG 3.38Å; A378-R382 PolarHBondContact O-N 2.71Å; A378-R382 VanDerWaalsContact O-N 3.15Å; A378-R382 PolarHBondContact O-NH1 3.34Å; F379-R382 PolarHBondContact O-N 3.34Å; T380-R382 VanDerWaalsContact C-N 3.34Å; T380-R382 PolarHBondContact O-N 3.34Å; R382-C384 VanDerWaalsContact C-N 3.27Å; R382-C384 PolarHBondContact O-N 2.96Å
383A97.8Very high97.6Very high44 Ų4439.2 Ų39.236%0.36420%0.197SC..Hα-helixtrans-64.9-31.6-179.200000113L280 F379 T380L280-A383 HydrophobicContact CD2-CB 4.29Å; F379-A383 PolarHBondContact O-N 2.95Å; T380-A383 PolarHBondContact O-N 2.89Å
384C98.4Very high97.7Very high3 Ų342.5 Ų42.52%0.0221%0.208CC..THydrogen-bonded Turntrans-115.822.8-173.9-58.30000112.8P244 C284 T380 R382 Q386 V387 L388P244-C384 HydrophobicContact CB-CB 4.33Å; P244-C384 HydrophobicContact CG-CB 4.34Å; C284-C384 HydrophobicContact CB-CB 3.76Å; C284-C384 WeakPolarHBondContact CB-SG 3.4Å; C284-C384 WeakPolarHBondContact SG-CB 3.03Å; C284-C384 CovalentContact SG-SG 2.02Å; C284-C384 PolarHBondContact SG-SG 3.32Å; T380-C384 WeakPolarHBondContact O-CB 3.33Å; T380-C384 PolarHBondContact O-N 3.43Å; R382-C384 VanDerWaalsContact C-N 3.27Å; R382-C384 PolarHBondContact O-N 2.96Å; C384-Q386 VanDerWaalsContact C-N 3.31Å; C384-Q386 PolarHBondContact O-N 3.15Å; C384-V387 HydrophobicContact CB-CG1 3.79Å; C384-V387 WeakPolarHBondContact O-CG1 3.41Å; C384-V387 PolarHBondContact O-N 3.14Å; C384-L388 HydrophobicContact CB-CD1 4.42Å; C384-L388 HydrophobicContact CB-CG 4.31Å; C384-L388 WeakPolarHBondContact O-CB 3.32Å; C384-L388 VanDerWaalsContact O-CG 3.28Å; C384-L388 WeakPolarHBondContact O-CG 3.5Å; C384-L388 PolarHBondContact O-N 2.91Å
385Q98.1Very high97.7Very high136 Ų13643 Ų4364%0.63622%0.218SC*.Hα-helixtrans-53.6-47-171.1-175.2-177.717.500112.7Q381 L388 A389Q381-Q385 WeakPolarHBondContact O-CA 3.39Å; Q381-Q385 WeakPolarHBondContact O-CB 3.22Å; Q381-Q385 PolarHBondContact O-N 3.44Å; Q385-L388 PolarHBondContact O-N 3.34Å; Q385-A389 PolarHBondContact O-N 3.08Å; Q385-A389 VanDerWaalsContact O-N 3.08Å
386Q97.3Very high97.7Very high126 Ų12638.5 Ų38.559%0.58920%0.197SC*.Hα-helixtrans-62.1-50.4-176.7-66.5178.9-48.300111.7W288 C384 L388 A389 Q390W288-Q386 HydrophobicContact CD2-CB 4.07Å; W288-Q386 HydrophobicContact CE3-CB 3.64Å; W288-Q386 HydrophobicContact CH2-CB 4.18Å; W288-Q386 HydrophobicContact CZ3-CB 3.69Å; W288-Q386 WeakPolarHBondContact CZ3-O 3.29Å; C384-Q386 VanDerWaalsContact C-N 3.31Å; C384-Q386 PolarHBondContact O-N 3.15Å; Q386-L388 PolarHBondContact O-N 2.72Å; Q386-A389 PolarHBondContact O-N 2.9Å; Q386-Q390 WeakPolarHBondContact O-CB 3.47Å; Q386-Q390 PolarHBondContact O-N 3.31Å
387V97.7Very high97.7Very high2 Ų242.5 Ų42.51%0.01223%0.225CC..Hα-helixtrans-69.2-33.8-179.767.30000112.3P244 C284 F287 W288 C384 Q390 L391P244-V387 HydrophobicContact CG-CG1 4.15Å; C284-V387 HydrophobicContact CB-CG1 3.82Å; F287-V387 HydrophobicContact CB-CG2 3.6Å; F287-V387 HydrophobicContact CD2-CG2 4.44Å; W288-V387 HydrophobicContact CB-CB 4.37Å; C384-V387 HydrophobicContact CB-CG1 3.79Å; C384-V387 WeakPolarHBondContact O-CG1 3.41Å; C384-V387 PolarHBondContact O-N 3.14Å; V387-Q390 PolarHBondContact O-N 3.37Å; V387-L391 HydrophobicContact CG2-CD1 3.71Å; V387-L391 HydrophobicContact CG2-CG 4.18Å; V387-L391 WeakPolarHBondContact O-CB 3.35Å; V387-L391 WeakPolarHBondContact O-CG 3.4Å; V387-L391 PolarHBondContact O-N 2.82Å
388L98.3Very high97.6Very high2 Ų244.2 Ų44.21%0.0124%0.237CC..Hα-helixtrans-61.1-49.3175.1-71.9174.6000110.9P244 Q381 C384 Q385 Q386 Q390 L391 G392 Y393P244-L388 HydrophobicContact CG-CD2 4.32Å; Q381-L388 HydrophobicContact CB-CD1 4.21Å; Q381-L388 HydrophobicContact CG-CD1 4.03Å; C384-L388 HydrophobicContact CB-CD1 4.42Å; C384-L388 HydrophobicContact CB-CG 4.31Å; C384-L388 WeakPolarHBondContact O-CB 3.32Å; C384-L388 VanDerWaalsContact O-CG 3.28Å; C384-L388 WeakPolarHBondContact O-CG 3.5Å; C384-L388 PolarHBondContact O-N 2.91Å; Q385-L388 PolarHBondContact O-N 3.34Å; Q386-L388 PolarHBondContact O-N 2.72Å; L388-Q390 PolarHBondContact O-N 3.18Å; L388-L391 PolarHBondContact O-N 3.45Å; L388-G392 PolarHBondContact O-N 2.82Å; L388-G392 VanDerWaalsContact O-N 3.14Å; L388-Y393 HydrophobicContact CD2-CD2 3.75Å; L388-Y393 HydrophobicContact CD2-CG 4.02Å; L388-Y393 PolarHBondContact O-N 2.9Å
389A97.3Very high97.5Very high67 Ų6747.9 Ų47.955%0.55425%0.252SS*.Hα-helixtrans-62.9-42.5176.300000112.2Q385 Q386 L391 G392 R413Q385-A389 PolarHBondContact O-N 3.08Å; Q385-A389 VanDerWaalsContact O-N 3.08Å; Q386-A389 PolarHBondContact O-N 2.9Å; A389-L391 VanDerWaalsContact C-N 3.26Å; A389-L391 PolarHBondContact O-N 3.33Å; A389-G392 PolarHBondContact O-N 3.11Å; A389-R413 PolarHBondContact O-NH1 2.81Å
390Q96.2Very high97.5Very high24 Ų2452.7 Ų52.711%0.11228%0.275CS..Hα-helixtrans-60.9-35.6179.3-164.5175.237.900112.9W288 V291 S292 L295 Q386 V387 L388 R413W288-Q390 HydrophobicContact CE3-CB 4.09Å; W288-Q390 HydrophobicContact CE3-CG 4.39Å; W288-Q390 HydrophobicContact CZ3-CB 3.83Å; W288-Q390 HydrophobicContact CZ3-CG 4.14Å; V291-Q390 HydrophobicContact CG1-CG 3.85Å; S292-Q390 PolarHBondContact OG-NE2 3.16Å; L295-Q390 HydrophobicContact CD1-CG 3.87Å; Q386-Q390 WeakPolarHBondContact O-CB 3.47Å; Q386-Q390 PolarHBondContact O-N 3.31Å; V387-Q390 PolarHBondContact O-N 3.37Å; L388-Q390 PolarHBondContact O-N 3.18Å; Q390-R413 PolarHBondContact O-NH1 2.02Å; Q390-R413 PolarHBondContact O-NH2 3.02Å
391L97.1Very high97.4Very high0 Ų055 Ų550%029%0.286CS..THydrogen-bonded Turntrans-93.82.6-178.3-66.1179.3000113.8V241 V291 L307 R309 V387 L388 A389 Y393 F415V241-L391 HydrophobicContact CB-CD1 3.93Å; V241-L391 HydrophobicContact CB-CD2 4.39Å; V241-L391 HydrophobicContact CG1-CD1 4.36Å; V241-L391 HydrophobicContact CG2-CD1 4.05Å; V241-L391 HydrophobicContact CG2-CD2 3.81Å; V291-L391 HydrophobicContact CG1-CD2 4.06Å; V291-L391 HydrophobicContact CG2-CD2 3.97Å; L307-L391 HydrophobicContact CD2-CD2 4.31Å; R309-L391 PolarHBondContact NH1-O 2.9Å; V387-L391 HydrophobicContact CG2-CD1 3.71Å; V387-L391 HydrophobicContact CG2-CG 4.18Å; V387-L391 WeakPolarHBondContact O-CB 3.35Å; V387-L391 WeakPolarHBondContact O-CG 3.4Å; V387-L391 PolarHBondContact O-N 2.82Å; L388-L391 PolarHBondContact O-N 3.45Å; A389-L391 VanDerWaalsContact C-N 3.26Å; A389-L391 PolarHBondContact O-N 3.33Å; L391-Y393 HydrophobicContact CB-CD2 3.59Å; L391-Y393 HydrophobicContact CB-CE2 3.44Å; L391-Y393 VanDerWaalsContact CB-CE2 3.44Å; L391-Y393 HydrophobicContact CD1-CD2 4.38Å; L391-Y393 HydrophobicContact CD1-CE2 3.71Å; L391-Y393 HydrophobicContact CG-CE2 4.23Å; L391-F415 HydrophobicContact CD2-CZ 4.32Å
392G97.4Very high97.3Very high0 Ų054.3 Ų54.30%028%0.283CS..THydrogen-bonded Turntrans70.136.4179.600000113.5R309 L388 A389 E411R309-G392 PolarHBondContact NH1-O 3.05Å; L388-G392 PolarHBondContact O-N 2.82Å; L388-G392 VanDerWaalsContact O-N 3.14Å; A389-G392 PolarHBondContact O-N 3.11Å; G392-E411 WeakPolarHBondContact CA-OE2 3.31Å; G392-E411 WeakPolarHBondContact O-CB 3.31Å; G392-E411 PolarHBondContact O-N 2.93Å
393Y97.9Very high97.2Very high6 Ų650.9 Ų50.92%0.02427%0.273CS..BIsolated β-bridgetrans-96.6121.3172.5-63.2-58000110.2R242 D243 R309 E311 L388 L391 V410R242-Y393 WeakPolarHBondContact CA-OH 3.42Å; D243-Y393 HydrophobicContact CB-CD1 4.18Å; D243-Y393 HydrophobicContact CB-CE1 3.86Å; D243-Y393 HydrophobicContact CB-CE2 4.23Å; D243-Y393 VanDerWaalsContact N-CZ 3.35Å; D243-Y393 PolarHBondContact N-OH 3.34Å; R309-Y393 WeakPolarHBondContact CD-OH 3.29Å; R309-Y393 HydrophobicContact CG-CE1 4.38Å; R309-Y393 VanDerWaalsContact CG-OH 3.25Å; R309-Y393 WeakPolarHBondContact CG-OH 3.44Å; E311-Y393 HydrophobicContact CG-CE1 4.22Å; E311-Y393 WeakPolarHBondContact OE2-CE1 3.4Å; E311-Y393 PolarHBondContact OE2-OH 2.69Å; L388-Y393 HydrophobicContact CD2-CD2 3.75Å; L388-Y393 HydrophobicContact CD2-CG 4.02Å; L388-Y393 PolarHBondContact O-N 2.9Å; L391-Y393 HydrophobicContact CB-CD2 3.59Å; L391-Y393 HydrophobicContact CB-CE2 3.44Å; L391-Y393 VanDerWaalsContact CB-CE2 3.44Å; L391-Y393 HydrophobicContact CD1-CD2 4.38Å; L391-Y393 HydrophobicContact CD1-CE2 3.71Å; L391-Y393 HydrophobicContact CG-CE2 4.23Å; Y393-V410 HydrophobicContact CD1-CG2 4.18Å; Y393-V410 HydrophobicContact CE1-CG1 4.5Å; Y393-V410 HydrophobicContact CE1-CG2 4.33Å
394K97.8Very high97.1Very high95 Ų9552 Ų5241%0.41327%0.272SS..PPolyproline II helixtrans-78.1146.4177.4-54.6-175-177.3176.70110.9R245 L409 E411R245-K394 PolarHBondContact NH1-O 3.48Å; R245-K394 PolarHBondContact NH2-O 3.19Å; K394-L409 HydrophobicContact CB-CD2 4.37Å; K394-L409 PolarHBondContact N-O 3.48Å; K394-E411 HydrophobicContact CD-CG 4.24Å; K394-E411 HydrophobicContact CG-CG 3.86Å
395T97.4Very high96.8Very high75 Ų7556.3 Ų56.346%0.4630%0.295SS..PPolyproline II helixtrans-79.9139.4172.954.50000110.4Q381Q381-T395 HydrophobicContact CB-CG2 4.29Å; Q381-T395 HydrophobicContact CG-CG2 4.21Å
396A97Very high96.5Very high1 Ų155.4 Ų55.41%0.00830%0.304CS..PPolyproline II helixtrans-84.1136.816300000109.1Y374 Q381 L402 L409Y374-A396 HydrophobicContact CE2-CB 4.48Å; Y374-A396 PolarHBondContact OH-O 3.15Å; Q381-A396 PolarHBondContact NE2-O 3.42Å; A396-L402 HydrophobicContact CB-CB 3.92Å; A396-L402 HydrophobicContact CB-CD1 4.22Å; A396-L409 HydrophobicContact CB-CD1 4.29Å; A396-L409 HydrophobicContact CB-CD2 4.46Å
397S96.5Very high96.3Very high84 Ų8452.4 Ų52.459%0.58729%0.291SS*.  trans-102.7-15.1-175.5-43.10000113.1Y374 E401Y374-S397 VanDerWaalsContact CZ-C 3.49Å; Y374-S397 WeakPolarHBondContact OH-CA 3.39Å; Y374-S397 PolarHBondContact OH-O 2.98Å; S397-E401 WeakPolarHBondContact CA-OE2 3.36Å; S397-E401 WeakPolarHBondContact CB-OE2 3Å; S397-E401 PolarHBondContact N-OE2 3.41Å; S397-E401 PolarHBondContact OG-OE2 2.02Å
398S97.4Very high96.2Very high36 Ų3654.8 Ų54.825%0.25231%0.308SS..SBendtrans-149.3171.8174.185.10000112Y374 E400 E401 L402Y374-S398 WeakPolarHBondContact CD2-O 3.4Å; S398-E400 VanDerWaalsContact C-N 3.33Å; S398-E400 WeakPolarHBondContact CB-OE2 3.07Å; S398-E400 PolarHBondContact OG-N 3.19Å; S398-E400 PolarHBondContact OG-OE2 3.06Å; S398-E401 PolarHBondContact OG-N 2.92Å; S398-L402 WeakPolarHBondContact O-CB 3.24Å; S398-L402 PolarHBondContact O-N 3.29Å
399E96.3Very high96.1Very high87 Ų8754.8 Ų54.841%0.40731%0.308SS..Hα-helixtrans-67.4-35.2175.3-173.8168.5179.200112Y374 L402 K403Y374-E399 HydrophobicContact CG-CB 4.35Å; E399-L402 PolarHBondContact O-N 3.27Å; E399-K403 HydrophobicContact CG-CD 4.22Å; E399-K403 WeakPolarHBondContact O-CG 3.36Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 VanDerWaalsContact OE1-CE 3.22Å; E399-K403 WeakPolarHBondContact OE1-CE 3.42Å; E399-K403 IonicContact OE1-NZ 3.71Å; E399-K403 PolarHBondContact OE1-NZ 2.83Å
400E96.8Very high96Very high137 Ų13752.1 Ų52.164%0.6429%0.285SS*.Hα-helixtrans-64.2-48176.1-5871.1-152.100110.6S398 K403 N404S398-E400 VanDerWaalsContact C-N 3.33Å; S398-E400 WeakPolarHBondContact CB-OE2 3.07Å; S398-E400 PolarHBondContact OG-N 3.19Å; S398-E400 PolarHBondContact OG-OE2 3.06Å; E400-K403 PolarHBondContact O-N 3Å; E400-N404 VanDerWaalsContact O-CB 3.3Å; E400-N404 WeakPolarHBondContact O-CB 3Å; E400-N404 PolarHBondContact O-N 3.39Å
401E96.3Very high96Very high49 Ų4954.8 Ų54.823%0.22930%0.297CS..Hα-helixtrans-62.9-43.4175.8-173.5179.9-169.100111.1R369 S397 S398 K403 N404 I407R369-E401 PolarHBondContact NH2-O 3.21Å; S397-E401 WeakPolarHBondContact CA-OE2 3.36Å; S397-E401 WeakPolarHBondContact CB-OE2 3Å; S397-E401 PolarHBondContact N-OE2 3.41Å; S397-E401 PolarHBondContact OG-OE2 2.02Å; S398-E401 PolarHBondContact OG-N 2.92Å; E401-K403 VanDerWaalsContact C-N 3.28Å; E401-K403 PolarHBondContact O-N 3.49Å; E401-N404 PolarHBondContact O-N 3.46Å; E401-I407 HydrophobicContact CG-CD1 4.03Å; E401-I407 HydrophobicContact CG-CG2 4.49Å
402L96.2Very high95.7Very high1 Ų164.6 Ų64.61%0.00534%0.343CS..Hα-helixtrans-56.5-42.1176.5175.461.1000111.5W368 R369 Y374 V377 A396 S398 E399 L409W368-L402 HydrophobicContact CE3-CD1 4.43Å; W368-L402 HydrophobicContact CH2-CD1 3.89Å; W368-L402 HydrophobicContact CZ3-CD1 3.57Å; R369-L402 HydrophobicContact CB-CD1 4.12Å; R369-L402 WeakPolarHBondContact CB-O 3.22Å; R369-L402 HydrophobicContact CG-CD1 4.13Å; R369-L402 VanDerWaalsContact CZ-O 3.27Å; R369-L402 PolarHBondContact NE-O 2.88Å; R369-L402 PolarHBondContact NH2-O 3.06Å; Y374-L402 HydrophobicContact CD2-CB 4.44Å; Y374-L402 HydrophobicContact CD2-CD2 4.28Å; V377-L402 HydrophobicContact CB-CD2 4.19Å; V377-L402 HydrophobicContact CG1-CD1 4.2Å; V377-L402 HydrophobicContact CG1-CD2 4.42Å; V377-L402 HydrophobicContact CG2-CD1 4.26Å; V377-L402 HydrophobicContact CG2-CD2 3.78Å; A396-L402 HydrophobicContact CB-CB 3.92Å; A396-L402 HydrophobicContact CB-CD1 4.22Å; S398-L402 WeakPolarHBondContact O-CB 3.24Å; S398-L402 PolarHBondContact O-N 3.29Å; E399-L402 PolarHBondContact O-N 3.27Å; L402-L409 HydrophobicContact CD1-CD1 4.38Å
403K95.8Very high95.4Very high93 Ų9369 Ų6940%0.40436%0.36SS..Hα-helixtrans-86.5-13.9-176.8-68.3179.4-174.31730114.3F370 E399 E400 E401 L405F370-K403 HydrophobicContact CD1-CB 4.47Å; F370-K403 HydrophobicContact CD1-CG 4.2Å; F370-K403 HydrophobicContact CE1-CB 4.03Å; F370-K403 HydrophobicContact CE1-CG 4.25Å; E399-K403 HydrophobicContact CG-CD 4.22Å; E399-K403 WeakPolarHBondContact O-CG 3.36Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 VanDerWaalsContact OE1-CE 3.22Å; E399-K403 WeakPolarHBondContact OE1-CE 3.42Å; E399-K403 IonicContact OE1-NZ 3.71Å; E399-K403 PolarHBondContact OE1-NZ 2.83Å; E400-K403 PolarHBondContact O-N 3Å; E401-K403 VanDerWaalsContact C-N 3.28Å; E401-K403 PolarHBondContact O-N 3.49Å; K403-L405 PolarHBondContact O-N 2.85Å
404N95.3Very high94.7Very high67 Ų6774.4 Ų74.436%0.35839%0.389SS..  trans-79.496.6-177.6-173.9-8.7000112.8R369 E400 E401 S406 I407R369-N404 VanDerWaalsContact NH2-C 3.27Å; R369-N404 PolarHBondContact NH2-O 3.49Å; E400-N404 VanDerWaalsContact O-CB 3.3Å; E400-N404 WeakPolarHBondContact O-CB 3Å; E400-N404 PolarHBondContact O-N 3.39Å; E401-N404 PolarHBondContact O-N 3.46Å; N404-S406 PolarHBondContact O-N 2.59Å; N404-S406 VanDerWaalsContact OD1-CB 3.29Å; N404-S406 WeakPolarHBondContact OD1-CB 3.4Å; N404-S406 PolarHBondContact OD1-N 3.21Å; N404-I407 HydrophobicContact CB-CD1 4.16Å; N404-I407 HydrophobicContact CB-CG1 4.38Å; N404-I407 PolarHBondContact O-N 3.31Å
405L92.3Very high94.4Very high95 Ų9571.2 Ų71.250%0.49738%0.375SS..THydrogen-bonded Turntrans-65.2-15.7-179.7-65.3-178.9000115E366 F370 K403 I407E366-L405 HydrophobicContact CB-CD2 4.05Å; E366-L405 HydrophobicContact CG-CD2 4.39Å; F370-L405 HydrophobicContact CE2-CD1 3.89Å; F370-L405 HydrophobicContact CE2-CD2 3.78Å; F370-L405 HydrophobicContact CE2-CG 3.97Å; F370-L405 HydrophobicContact CZ-CD1 3.88Å; F370-L405 HydrophobicContact CZ-CD2 3.95Å; F370-L405 HydrophobicContact CZ-CG 3.74Å; K403-L405 PolarHBondContact O-N 2.85Å; L405-I407 PolarHBondContact O-N 3.31Å
406S92.9Very high94Very high116 Ų11673.8 Ų73.881%0.81139%0.385SS*.THydrogen-bonded Turntrans-69.9-17.8172.1-55.20000112.1N404N404-S406 PolarHBondContact O-N 2.59Å; N404-S406 VanDerWaalsContact OD1-CB 3.29Å; N404-S406 WeakPolarHBondContact OD1-CB 3.4Å; N404-S406 PolarHBondContact OD1-N 3.21Å
407I93.3Very high93.5Very high63 Ų6376 Ų7632%0.32340%0.399SS..SBendtrans-96.2116.3173.2-56.8174.3000108.4R369 E401 N404 L405R369-I407 PolarHBondContact NH1-O 3.2Å; R369-I407 PolarHBondContact NH2-O 3.42Å; E401-I407 HydrophobicContact CG-CD1 4.03Å; E401-I407 HydrophobicContact CG-CG2 4.49Å; N404-I407 HydrophobicContact CB-CD1 4.16Å; N404-I407 HydrophobicContact CB-CG1 4.38Å; N404-I407 PolarHBondContact O-N 3.31Å; L405-I407 PolarHBondContact O-N 3.31Å
408S93.9Very high93.2Very high53 Ų5373 Ų7337%0.37138%0.376SS..  trans-75.3126.8173-176.70000110.6V410S408-V410 VanDerWaalsContact C-N 3.3Å; S408-V410 PolarHBondContact OG-N 2.91Å; S408-V410 PolarHBondContact OG-O 3.34Å
409L96.3Very high92.2Very high2 Ų277.7 Ų77.71%0.0141%0.409CS..SBendtrans-92.610.1170.8-62-177.8000113W368 R369 K394 A396 L402W368-L409 HydrophobicContact CH2-CD1 3.79Å; W368-L409 HydrophobicContact CZ2-CD1 4.01Å; R369-L409 HydrophobicContact CG-CD1 4.43Å; K394-L409 HydrophobicContact CB-CD2 4.37Å; K394-L409 PolarHBondContact N-O 3.48Å; A396-L409 HydrophobicContact CB-CD1 4.29Å; A396-L409 HydrophobicContact CB-CD2 4.46Å; L402-L409 HydrophobicContact CD1-CD1 4.38Å
410V96.1Very high92Very high11 Ų1177.3 Ų77.37%0.06741%0.409CS..BIsolated β-bridgetrans-125.1122.4179.3-174.20000108E311 Y393 S408E311-V410 HydrophobicContact CB-CG1 4.31Å; E311-V410 HydrophobicContact CB-CG2 4.23Å; E311-V410 HydrophobicContact CG-CG2 4.08Å; Y393-V410 HydrophobicContact CD1-CG2 4.18Å; Y393-V410 HydrophobicContact CE1-CG1 4.5Å; Y393-V410 HydrophobicContact CE1-CG2 4.33Å; S408-V410 VanDerWaalsContact C-N 3.3Å; S408-V410 PolarHBondContact OG-N 2.91Å; S408-V410 PolarHBondContact OG-O 3.34Å
411E96Very high91.7Very high80 Ų8074.1 Ų74.137%0.37440%0.397SS..  trans-75.3146174.2-68.2170.3-178.100110.8R309 G392 K394 R413R309-E411 PolarHBondContact NH1-O 2.78Å; R309-E411 VanDerWaalsContact NH1-O 3.16Å; R309-E411 PolarHBondContact NH2-O 3.01Å; G392-E411 WeakPolarHBondContact CA-OE2 3.31Å; G392-E411 WeakPolarHBondContact O-CB 3.31Å; G392-E411 PolarHBondContact O-N 2.93Å; K394-E411 HydrophobicContact CD-CG 4.24Å; K394-E411 HydrophobicContact CG-CG 3.86Å; E411-R413 PolarHBondContact O-N 3.14Å
412E91.6Very high91.5Very high205 Ų20575.5 Ų75.596%0.95841%0.406SS*.  trans-66.9114.2165-68.4-173.617700108.4
413R89.8Confident91.2Very high93 Ų9379.9 Ų79.935%0.35143%0.429SS..  trans-148.9124.7-177.3-170.9166.9-175.1161.5-1.6109.3A389 Q390 E411 F415A389-R413 PolarHBondContact O-NH1 2.81Å; Q390-R413 PolarHBondContact O-NH1 2.02Å; Q390-R413 PolarHBondContact O-NH2 3.02Å; E411-R413 PolarHBondContact O-N 3.14Å; R413-F415 HydrophobicContact CB-CZ 4.38Å; R413-F415 HydrophobicContact CG-CE1 4.08Å; R413-F415 HydrophobicContact CG-CE2 4.41Å; R413-F415 HydrophobicContact CG-CZ 3.94Å
414D84.6Confident90.9Very high120 Ų12079.1 Ų79.164%0.64243%0.431SS*.  trans-96.2124.3177.5-73.2-35.9000110.9L416D414-L416 HydrophobicContact CB-CD2 4.44Å; D414-L416 HydrophobicContact CB-CG 4.33Å; D414-L416 PolarHBondContact O-N 3.17Å
415F90.5Very high90.6Very high28 Ų2879.9 Ų79.912%0.12344%0.436CS..  trans-99.770.1175.1-58.7-72.8000109.5L307 R309 L391 R413L307-F415 HydrophobicContact CB-CB 4.16Å; L307-F415 HydrophobicContact CD2-CB 4.36Å; L307-F415 HydrophobicContact CD2-CD1 3.61Å; L307-F415 HydrophobicContact CD2-CE1 3.97Å; L307-F415 HydrophobicContact CD2-CG 3.95Å; L307-F415 HydrophobicContact CG-CB 4.38Å; L307-F415 HydrophobicContact CG-CD1 4.4Å; L307-F415 HydrophobicContact CG-CG 4.25Å; R309-F415 HydrophobicContact CB-CD2 4.35Å; R309-F415 HydrophobicContact CB-CE2 3.97Å; L391-F415 HydrophobicContact CD2-CZ 4.32Å; R413-F415 HydrophobicContact CB-CZ 4.38Å; R413-F415 HydrophobicContact CG-CE1 4.08Å; R413-F415 HydrophobicContact CG-CE2 4.41Å; R413-F415 HydrophobicContact CG-CZ 3.94Å
416L88.3Confident90.5Very high129 Ų12978.8 Ų78.868%0.67543%0.432SS*.  trans-64.1129.7-178.3-62.4178.4000110.7D414D414-L416 HydrophobicContact CB-CD2 4.44Å; D414-L416 HydrophobicContact CB-CG 4.33Å; D414-L416 PolarHBondContact O-N 3.17Å
417P87.4Confident90.3Very high46 Ų4675.9 Ų75.930%0.29940%0.402SS..  trans-55143.8168.7-22.432.5000110.3M306 F327M306-P417 HydrophobicContact CB-CG 4.25Å; M306-P417 HydrophobicContact CG-CG 4Å; M306-P417 HydrophobicContact SD-CG 4.37Å; F327-P417 HydrophobicContact CB-CG 4.42Å; F327-P417 HydrophobicContact CD2-CB 3.68Å; F327-P417 HydrophobicContact CD2-CG 3.8Å; F327-P417 HydrophobicContact CE2-CB 4Å; F327-P417 HydrophobicContact CE2-CG 4.48Å; F327-P417 HydrophobicContact CG-CG 4.27Å
418F89.3Confident90.1Very high23 Ų2377 Ų7710%0.10141%0.409CS..  trans-95.9110.1172.876.3-85.3000108.6R297 P298 L301 K302 G303R297-F418 HydrophobicContact CB-CD1 4.08Å; R297-F418 HydrophobicContact CB-CD2 3.91Å; R297-F418 HydrophobicContact CB-CE1 4.13Å; R297-F418 HydrophobicContact CB-CE2 3.9Å; R297-F418 HydrophobicContact CB-CG 3.96Å; R297-F418 HydrophobicContact CB-CZ 4.02Å; R297-F418 HydrophobicContact CG-CB 4.02Å; R297-F418 HydrophobicContact CG-CD1 3.75Å; R297-F418 HydrophobicContact CG-CD2 4.22Å; R297-F418 HydrophobicContact CG-CE1 4.2Å; R297-F418 HydrophobicContact CG-CG 3.75Å; P298-F418 WeakPolarHBondContact O-CZ 3.37Å; L301-F418 HydrophobicContact CB-CE1 3.71Å; L301-F418 HydrophobicContact CB-CZ 3.41Å; L301-F418 VanDerWaalsContact CB-CZ 3.41Å; L301-F418 WeakPolarHBondContact O-CZ 2.97Å; K302-F418 HydrophobicContact CB-CD2 4.02Å; K302-F418 HydrophobicContact CB-CE2 3.5Å; K302-F418 VanDerWaalsContact CB-CE2 3.5Å; K302-F418 HydrophobicContact CB-CZ 4.34Å; K302-F418 HydrophobicContact CG-CD2 3.95Å; K302-F418 HydrophobicContact CG-CE2 3.95Å; K302-F418 VanDerWaalsContact N-CE2 3.3Å; K302-F418 VanDerWaalsContact N-CZ 3.26Å; G303-F418 PolarHBondContact N-O 3.47Å
419S76.8Confident89.7Confident134 Ų13479.2 Ų79.294%0.93741%0.412SS*.  trans-84.30-177.339.70000113.1K302K302-S419 WeakPolarHBondContact CE-O 3.46Å; K302-S419 WeakPolarHBondContact CE-OXT 3.17Å; K302-S419 WeakPolarHBondContact CG-OXT 3.46Å

Retrieved 419 of 419 residues in 78.5 ms (Link to these results)

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