A0A096NBP5_PAPAN Loading...

ADP/ATP translocase

Catalyzes the exchange of ADP and ATP across the membrane.

AlphaFold DB (P12235), UniProt , Accession A0A096NBP5, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A4, Length 298 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
1M58.3Low83Confident217 Ų217112.2 Ų112.2100%1.06959%0.589SS**  0-310-84.2178.4136.400113.5A5M1-A5 PolarHBondContact O-N 3.43Å
2G71.8Confident83.6Confident53 Ų53106.1 Ų106.155%0.54655%0.554SS.*Hα-helixtrans-62.4-45.7-179.700000115.4H4 A5 W6G2-H4 PolarHBondContact O-N 2.7Å; G2-A5 PolarHBondContact O-N 3.2Å; G2-W6 WeakPolarHBondContact O-CB 3.34Å; G2-W6 PolarHBondContact O-N 2.77Å
3D80.2Confident84.3Confident142 Ų142104.5 Ų104.576%0.75955%0.545SS*.Hα-helixtrans-66.6-40.1-172.5-60.2-22000113.5W6 S7D3-W6 PolarHBondContact O-N 3.27Å; D3-S7 WeakPolarHBondContact O-CB 3.44Å; D3-S7 PolarHBondContact O-N 3.13Å
4H83.5Confident84.7Confident158 Ų15899 Ų9973%0.73152%0.523SS*.Hα-helixtrans-67.2-41176.7-65.1-55.9000112.2G2 W6 S7 F8G2-H4 PolarHBondContact O-N 2.7Å; H4-W6 VanDerWaalsContact C-N 3.32Å; H4-S7 PolarHBondContact O-N 3.37Å; H4-F8 VanDerWaalsContact O-CB 3.29Å; H4-F8 WeakPolarHBondContact O-CB 3.13Å; H4-F8 PolarHBondContact O-N 3.16Å
5A88.3Confident85Confident59 Ų5993.8 Ų93.849%0.48850%0.503SS..Hα-helixtrans-65-39.217700000111.4M1 G2 L9M1-A5 PolarHBondContact O-N 3.43Å; G2-A5 PolarHBondContact O-N 3.2Å; A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 2.86Å
6W87.6Confident85.5Confident150 Ų15088 Ų8857%0.56847%0.472SS*.Hα-helixtrans-69-43.1176.8-173.2-122.5000112.7G2 D3 H4 F8 L9 K10G2-W6 WeakPolarHBondContact O-CB 3.34Å; G2-W6 PolarHBondContact O-N 2.77Å; D3-W6 PolarHBondContact O-N 3.27Å; H4-W6 VanDerWaalsContact C-N 3.32Å; W6-F8 VanDerWaalsContact C-N 3.34Å; W6-L9 HydrophobicContact CE3-CD2 4.11Å; W6-L9 HydrophobicContact CZ3-CD2 3.97Å; W6-L9 PolarHBondContact O-N 3.45Å; W6-K10 WeakPolarHBondContact O-CG 3.29Å; W6-K10 PolarHBondContact O-N 3.48Å
7S87.7Confident85.9Confident61 Ų6187.1 Ų87.143%0.42747%0.47SS..Hα-helixtrans-59.6-46.5173.3-1690000111D3 H4 L9 K10 D11D3-S7 WeakPolarHBondContact O-CB 3.44Å; D3-S7 PolarHBondContact O-N 3.13Å; H4-S7 PolarHBondContact O-N 3.37Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 2.85Å; S7-K10 WeakPolarHBondContact O-CB 3.12Å; S7-K10 PolarHBondContact O-N 3.2Å; S7-D11 PolarHBondContact O-N 3.24Å
8F87.5Confident86.1Confident99 Ų9982.9 Ų82.943%0.43445%0.449SS..Hα-helixtrans-58.2-45.5176174.3-93.6000112H4 W6 K10 D11 F12 F89H4-F8 VanDerWaalsContact O-CB 3.29Å; H4-F8 WeakPolarHBondContact O-CB 3.13Å; H4-F8 PolarHBondContact O-N 3.16Å; W6-F8 VanDerWaalsContact C-N 3.34Å; F8-K10 PolarHBondContact O-N 3.3Å; F8-D11 PolarHBondContact O-N 3.43Å; F8-F12 VanDerWaalsContact O-CB 3.27Å; F8-F12 WeakPolarHBondContact O-CB 3.19Å; F8-F12 PolarHBondContact O-N 2.88Å; F8-F89 AromaticContact CE2-CD1 3.94Å; F8-F89 HydrophobicContact CE2-CD1 3.94Å; F8-F89 HydrophobicContact CE2-CD2 4.2Å; F8-F89 AromaticContact CE2-CE1 3.6Å; F8-F89 HydrophobicContact CE2-CE1 3.6Å; F8-F89 AromaticContact CE2-CE2 3.9Å; F8-F89 HydrophobicContact CE2-CE2 3.9Å; F8-F89 HydrophobicContact CE2-CG 4.25Å; F8-F89 AromaticContact CE2-CZ 3.58Å; F8-F89 HydrophobicContact CE2-CZ 3.58Å; F8-F89 HydrophobicContact CZ-CD1 4.27Å; F8-F89 AromaticContact CZ-CD2 3.83Å; F8-F89 HydrophobicContact CZ-CD2 3.83Å; F8-F89 HydrophobicContact CZ-CE1 4.21Å; F8-F89 AromaticContact CZ-CE2 3.77Å; F8-F89 HydrophobicContact CZ-CE2 3.77Å; F8-F89 HydrophobicContact CZ-CG 4.11Å; F8-F89 AromaticContact CZ-CZ 3.97Å; F8-F89 HydrophobicContact CZ-CZ 3.97Å
9L90.7Very high86.4Confident71 Ų7179.6 Ų79.637%0.37244%0.435SS..Hα-helixtrans-64-40.8178.6-17761.6000111.6A5 W6 S7 F12 L13A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 2.86Å; W6-L9 HydrophobicContact CE3-CD2 4.11Å; W6-L9 HydrophobicContact CZ3-CD2 3.97Å; W6-L9 PolarHBondContact O-N 3.45Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 2.85Å; L9-F12 HydrophobicContact CD1-CD1 4.45Å; L9-F12 PolarHBondContact O-N 3.36Å; L9-L13 HydrophobicContact CD1-CD1 4.28Å; L9-L13 HydrophobicContact CD1-CG 4.2Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.42Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.9Å
10K90.3Very high86.8Confident117 Ų11776.7 Ų76.751%0.50942%0.422SS..Hα-helixtrans-59.4-47.5174.2-79.1176.7167.3174.60111.7W6 S7 F8 L13 A14W6-K10 WeakPolarHBondContact O-CG 3.29Å; W6-K10 PolarHBondContact O-N 3.48Å; S7-K10 WeakPolarHBondContact O-CB 3.12Å; S7-K10 PolarHBondContact O-N 3.2Å; F8-K10 PolarHBondContact O-N 3.3Å; K10-L13 PolarHBondContact O-N 2.86Å; K10-A14 VanDerWaalsContact O-CB 3.22Å; K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 2.85Å
11D87.4Confident87.1Confident107 Ų10776.1 Ų76.157%0.57242%0.42SS*.Hα-helixtrans-65.7-40.3179.2-67.8-29.7000111.8S7 F8 A14 G15S7-D11 PolarHBondContact O-N 3.24Å; F8-D11 PolarHBondContact O-N 3.43Å; D11-A14 PolarHBondContact O-N 3.3Å; D11-G15 PolarHBondContact O-N 3.21Å
12F89.6Confident88.7Confident39 Ų3966.2 Ų66.217%0.17137%0.372CS..Hα-helixtrans-61.5-46.1175.6179.4-102.6000112.2F8 L9 G16 F82 Q85 F89F8-F12 VanDerWaalsContact O-CB 3.27Å; F8-F12 WeakPolarHBondContact O-CB 3.19Å; F8-F12 PolarHBondContact O-N 2.88Å; L9-F12 HydrophobicContact CD1-CD1 4.45Å; L9-F12 PolarHBondContact O-N 3.36Å; F12-G16 PolarHBondContact O-N 3.11Å; F12-F82 HydrophobicContact CD1-CD1 4.25Å; F12-F82 AromaticContact CE1-CD1 3.5Å; F12-F82 HydrophobicContact CE1-CD1 3.5Å; F12-F82 HydrophobicContact CE1-CE1 4.21Å; F12-F82 HydrophobicContact CE1-CG 4.48Å; F12-F82 HydrophobicContact CZ-CB 4.08Å; F12-F82 AromaticContact CZ-CD1 3.72Å; F12-F82 HydrophobicContact CZ-CD1 3.72Å; F12-F82 HydrophobicContact CZ-CG 4.41Å; F12-Q85 HydrophobicContact CD2-CB 4.2Å; F12-Q85 HydrophobicContact CE2-CB 3.65Å; F12-F89 HydrophobicContact CD2-CE2 4.05Å
13L92.7Very high89.7Confident85 Ų8566.1 Ų66.145%0.44536%0.357SS..Hα-helixtrans-68-45177.1-71.5177000111.7L9 K10 G15 G16 V17 F82L9-L13 HydrophobicContact CD1-CD1 4.28Å; L9-L13 HydrophobicContact CD1-CG 4.2Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 HydrophobicContact CG-CG 4.42Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.9Å; K10-L13 PolarHBondContact O-N 2.86Å; L13-G15 VanDerWaalsContact C-N 3.35Å; L13-G15 PolarHBondContact O-N 3.33Å; L13-G16 WeakPolarHBondContact O-CA 3.37Å; L13-G16 PolarHBondContact O-N 3.18Å; L13-G16 VanDerWaalsContact O-N 3.07Å; L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.5Å; L13-F82 HydrophobicContact CD2-CE1 4.3Å
14A89.9Confident90.5Very high28 Ų2861.7 Ų61.723%0.23134%0.335CS..Hα-helixtrans-60.7-44.7178.100000111.4K10 D11 G16 V17 A18K10-A14 VanDerWaalsContact O-CB 3.22Å; K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 2.85Å; D11-A14 PolarHBondContact O-N 3.3Å; A14-G16 VanDerWaalsContact C-N 3.27Å; A14-G16 PolarHBondContact O-N 3.36Å; A14-V17 PolarHBondContact O-N 3.09Å; A14-A18 WeakPolarHBondContact O-CB 3.25Å; A14-A18 PolarHBondContact O-N 2.64Å
15G89.5Confident91.1Very high21 Ų2156.8 Ų56.822%0.21632%0.322CS..Hα-helixtrans-62.7-35173.900000112.7D11 L13 A19 Y81D11-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.35Å; L13-G15 PolarHBondContact O-N 3.33Å; G15-A19 VanDerWaalsContact O-CB 3.25Å; G15-A19 WeakPolarHBondContact O-CB 3.34Å; G15-A19 PolarHBondContact O-N 2.98Å; G15-Y81 VanDerWaalsContact CA-OH 3.28Å; G15-Y81 WeakPolarHBondContact CA-OH 3.46Å; G15-Y81 WeakPolarHBondContact O-CE2 3.47Å
16G92.4Very high91.4Very high1 Ų154.4 Ų54.41%0.0130%0.301CS..Hα-helixtrans-66.2-44174.500000113.3F12 L13 A14 A19 A20F12-G16 PolarHBondContact O-N 3.11Å; L13-G16 WeakPolarHBondContact O-CA 3.37Å; L13-G16 PolarHBondContact O-N 3.18Å; L13-G16 VanDerWaalsContact O-N 3.07Å; A14-G16 VanDerWaalsContact C-N 3.27Å; A14-G16 PolarHBondContact O-N 3.36Å; G16-A19 PolarHBondContact O-N 3.41Å; G16-A20 VanDerWaalsContact O-CB 3.32Å; G16-A20 WeakPolarHBondContact O-CB 3.35Å; G16-A20 PolarHBondContact O-N 2.74Å
17V92.3Very high91.9Very high73 Ų7347.4 Ų47.444%0.44228%0.275SS..Hα-helixtrans-64.5-48.1175.2174.10000110.7L13 A14 A19 A20 V21 Y291L13-V17 WeakPolarHBondContact O-CG2 3.45Å; L13-V17 PolarHBondContact O-N 3.5Å; A14-V17 PolarHBondContact O-N 3.09Å; V17-A19 VanDerWaalsContact C-N 3.3Å; V17-A19 PolarHBondContact O-N 3.49Å; V17-A20 WeakPolarHBondContact O-CB 3.15Å; V17-A20 PolarHBondContact O-N 3.08Å; V17-A20 VanDerWaalsContact O-N 3.1Å; V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 WeakPolarHBondContact O-CG2 3.26Å; V17-V21 PolarHBondContact O-N 2.74Å; V17-Y291 HydrophobicContact CG1-CE2 4.47Å
18A90.8Very high92.3Very high11 Ų1145.9 Ų45.99%0.09126%0.264CS..Hα-helixtrans-57-44.617700000111.7A14 V21 S22 L288 Y291A14-A18 WeakPolarHBondContact O-CB 3.25Å; A14-A18 PolarHBondContact O-N 2.64Å; A18-V21 PolarHBondContact O-N 3.41Å; A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 3.25Å; A18-L288 HydrophobicContact CB-CD2 4.23Å; A18-Y291 HydrophobicContact CB-CD1 3.66Å; A18-Y291 HydrophobicContact CB-CE1 3.51Å; A18-Y291 HydrophobicContact CB-CG 4.45Å
19A91.1Very high92.8Very high21 Ų2142.9 Ų42.917%0.17425%0.252CS..Hα-helixtrans-64.6-41.7175.700000112.3G15 G16 V17 K23 Y81G15-A19 VanDerWaalsContact O-CB 3.25Å; G15-A19 WeakPolarHBondContact O-CB 3.34Å; G15-A19 PolarHBondContact O-N 2.98Å; G16-A19 PolarHBondContact O-N 3.41Å; V17-A19 VanDerWaalsContact C-N 3.3Å; V17-A19 PolarHBondContact O-N 3.49Å; A19-K23 VanDerWaalsContact O-CB 3.26Å; A19-K23 WeakPolarHBondContact O-CB 3.46Å; A19-K23 WeakPolarHBondContact O-CG 3.47Å; A19-K23 PolarHBondContact O-N 2.74Å; A19-Y81 HydrophobicContact CB-CD2 3.27Å; A19-Y81 HydrophobicContact CB-CE2 3.69Å; A19-Y81 HydrophobicContact CB-CG 3.9Å
20A93.8Very high93Very high21 Ų2140.2 Ų40.217%0.17424%0.238CC..Hα-helixtrans-62.3-45.4177.800000111.7G16 V17 T24 V78G16-A20 VanDerWaalsContact O-CB 3.32Å; G16-A20 WeakPolarHBondContact O-CB 3.35Å; G16-A20 PolarHBondContact O-N 2.74Å; V17-A20 WeakPolarHBondContact O-CB 3.15Å; V17-A20 PolarHBondContact O-N 3.08Å; V17-A20 VanDerWaalsContact O-N 3.1Å; A20-T24 WeakPolarHBondContact O-CB 3.41Å; A20-T24 PolarHBondContact O-N 3.28Å; A20-T24 PolarHBondContact O-OG1 3.49Å; A20-V78 HydrophobicContact CB-CB 4.43Å; A20-V78 HydrophobicContact CB-CG1 3.8Å; A20-V78 HydrophobicContact CB-CG2 4.12Å
21V93.4Very high93.4Very high64 Ų6434.7 Ų34.739%0.38821%0.214SC..Hα-helixtrans-62.2-53176.9172.60000110.3V17 A18 K23 T24 A25 V287 Y291V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 WeakPolarHBondContact O-CG2 3.26Å; V17-V21 PolarHBondContact O-N 2.74Å; A18-V21 PolarHBondContact O-N 3.41Å; V21-K23 PolarHBondContact O-N 2.8Å; V21-T24 PolarHBondContact O-N 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.22Å; V21-A25 PolarHBondContact O-N 2.89Å; V21-V287 HydrophobicContact CG1-CG1 4.23Å; V21-Y291 HydrophobicContact CG1-CD2 4.42Å; V21-Y291 HydrophobicContact CG2-CE2 4.46Å
22S92.3Very high93.9Very high9 Ų929.6 Ų29.66%0.06319%0.186CC..Hα-helixtrans-57.4-47.4179.4173.80000112.2A18 T24 A25 V26 G284A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 3.25Å; S22-T24 PolarHBondContact O-N 3.42Å; S22-A25 PolarHBondContact O-N 3.17Å; S22-V26 WeakPolarHBondContact O-CG2 3.29Å; S22-V26 PolarHBondContact O-N 2.87Å; S22-G284 PolarHBondContact OG-O 3.07Å
23K93.5Very high94.2Very high51 Ų5128.1 Ų28.122%0.22218%0.18CC..Hα-helixtrans-66.1-37.4179.2-69-68.2178.6-173.50112.7A19 V21 A27 N77A19-K23 VanDerWaalsContact O-CB 3.26Å; A19-K23 WeakPolarHBondContact O-CB 3.46Å; A19-K23 WeakPolarHBondContact O-CG 3.47Å; A19-K23 PolarHBondContact O-N 2.74Å; V21-K23 PolarHBondContact O-N 2.8Å; K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.46Å; K23-N77 HydrophobicContact CB-CB 3.96Å; K23-N77 HydrophobicContact CG-CB 4.3Å
24T96.6Very high94.5Very high49 Ų4924.1 Ų24.130%0.30116%0.159SC..Hα-helixtrans-70.3-40.4178.6-59.60000111.2A20 V21 S22 V26 A27 W71 N74A20-T24 WeakPolarHBondContact O-CB 3.41Å; A20-T24 PolarHBondContact O-N 3.28Å; A20-T24 PolarHBondContact O-OG1 3.49Å; V21-T24 PolarHBondContact O-N 3.3Å; S22-T24 PolarHBondContact O-N 3.42Å; T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 2.91Å; T24-A27 WeakPolarHBondContact O-CB 3.34Å; T24-A27 PolarHBondContact O-N 3.28Å; T24-W71 PolarHBondContact O-NE1 3.42Å; T24-N74 PolarHBondContact OG1-ND2 2.94Å
25A95.7Very high94.8Very high55 Ų5522.8 Ų22.846%0.45515%0.148SC..Hα-helixtrans-60.4-40176.900000112.3V21 S22 P28 V287V21-A25 WeakPolarHBondContact O-CB 3.22Å; V21-A25 PolarHBondContact O-N 2.89Å; S22-A25 PolarHBondContact O-N 3.17Å; A25-P28 WeakPolarHBondContact O-CD 3.46Å; A25-V287 HydrophobicContact CB-CB 4.48Å; A25-V287 HydrophobicContact CB-CG1 4.01Å; A25-V287 HydrophobicContact CB-CG2 3.81Å
26V95.4Very high95.2Very high9 Ų922.6 Ų22.66%0.05514%0.142CC..Hα-helixtrans-93.91179.5-54.80000114.7S22 T24 P28 I29 E30 R280S22-V26 WeakPolarHBondContact O-CG2 3.29Å; S22-V26 PolarHBondContact O-N 2.87Å; T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 2.91Å; V26-P28 VanDerWaalsContact C-N 3.32Å; V26-I29 HydrophobicContact CB-CG2 4.05Å; V26-I29 WeakPolarHBondContact O-CG2 3.31Å; V26-I29 PolarHBondContact O-N 3.45Å; V26-E30 WeakPolarHBondContact O-CB 3.37Å; V26-E30 PolarHBondContact O-N 3.11Å; V26-R280 HydrophobicContact CB-CG 4.25Å; V26-R280 HydrophobicContact CG2-CG 4.01Å
27A97Very high95.4Very high4 Ų422.6 Ų22.63%0.03314%0.141CC..Hα-helixtrans-55.5-38.6179.300000113.5K23 T24 E30 R31 W71 N74K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.46Å; T24-A27 WeakPolarHBondContact O-CB 3.34Å; T24-A27 PolarHBondContact O-N 3.28Å; A27-E30 PolarHBondContact O-N 2.97Å; A27-R31 WeakPolarHBondContact O-CB 3.3Å; A27-R31 PolarHBondContact O-N 3.36Å; A27-W71 HydrophobicContact CB-CG 4.27Å; A27-N74 HydrophobicContact CB-CB 4.13Å
28P97.4Very high95.6Very high29 Ų2919.1 Ų19.119%0.18812%0.12CC..Hα-helixtrans-58.1-52.1176.4-25.434.6000113.6A25 V26 E30 R31 V32 F70 W71A25-P28 WeakPolarHBondContact O-CD 3.46Å; V26-P28 VanDerWaalsContact C-N 3.32Å; P28-E30 VanDerWaalsContact C-N 3.3Å; P28-E30 PolarHBondContact O-N 3.16Å; P28-R31 PolarHBondContact O-N 2.88Å; P28-V32 WeakPolarHBondContact O-CG2 3.48Å; P28-V32 PolarHBondContact O-N 2.64Å; P28-V32 VanDerWaalsContact O-N 3.12Å; P28-F70 HydrophobicContact CB-CB 3.84Å; P28-F70 HydrophobicContact CB-CD1 3.86Å; P28-F70 HydrophobicContact CB-CG 3.87Å; P28-F70 HydrophobicContact CG-CB 3.96Å; P28-F70 HydrophobicContact CG-CG 4.41Å; P28-W71 HydrophobicContact CG-CH2 4.06Å; P28-W71 HydrophobicContact CG-CZ2 3.71Å
29I96.3Very high95.9Very high35 Ų3519.1 Ų19.118%0.17912%0.118CC..Hα-helixtrans-69.6-31.1178.7-172.760.1000111.6V26 R31 V32 K33 I54 L279 R280V26-I29 HydrophobicContact CB-CG2 4.05Å; V26-I29 WeakPolarHBondContact O-CG2 3.31Å; V26-I29 PolarHBondContact O-N 3.45Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-V32 HydrophobicContact CD1-CB 4.36Å; I29-V32 PolarHBondContact O-N 2.74Å; I29-K33 WeakPolarHBondContact O-CB 3.43Å; I29-K33 PolarHBondContact O-N 2.78Å; I29-I54 HydrophobicContact CD1-CG2 4.08Å; I29-L279 HydrophobicContact CG1-CB 4.3Å; I29-R280 HydrophobicContact CG2-CB 4Å; I29-R280 HydrophobicContact CG2-CG 4.33Å
30E96.5Very high96Very high15 Ų1521 Ų217%0.0712%0.123CC..Hα-helixtrans-65.7-36.8173.9-161.2175.7-166.700112.1V26 A27 P28 K33 L34 N77 R138 R280V26-E30 WeakPolarHBondContact O-CB 3.37Å; V26-E30 PolarHBondContact O-N 3.11Å; A27-E30 PolarHBondContact O-N 2.97Å; P28-E30 VanDerWaalsContact C-N 3.3Å; P28-E30 PolarHBondContact O-N 3.16Å; E30-K33 WeakPolarHBondContact O-CB 3.47Å; E30-K33 PolarHBondContact O-N 3.2Å; E30-L34 WeakPolarHBondContact O-CG 3.35Å; E30-L34 PolarHBondContact O-N 3.23Å; E30-N77 PolarHBondContact OE2-ND2 3.39Å; E30-R138 VanDerWaalsContact CD-NH1 3.35Å; E30-R138 IonicContact OE1-CZ 2.95Å; E30-R138 IonicContact OE1-NE 3.72Å; E30-R138 IonicContact OE1-NH1 2.98Å; E30-R138 PolarHBondContact OE1-NH1 2.78Å; E30-R138 IonicContact OE1-NH2 3.69Å; E30-R138 PolarHBondContact OE1-NH2 3.33Å; E30-R138 VanDerWaalsContact OE1-NH2 3.15Å; E30-R138 IonicContact OE2-CZ 3.26Å; E30-R138 VanDerWaalsContact OE2-CZ 3.27Å; E30-R138 IonicContact OE2-NE 2.63Å; E30-R138 IonicContact OE2-NH1 3.5Å; E30-R138 IonicContact OE2-NH2 3.84Å; E30-R138 PolarHBondContact OE2-NH2 3.23Å; E30-R280 HydrophobicContact CB-CG 3.97Å; E30-R280 HydrophobicContact CG-CG 4.11Å
31R97.6Very high96Very high2 Ų220 Ų201%0.00812%0.115CC..Hα-helixtrans-67.3-44.1174.5-172.1176.1-178.1-132.6-1.5111.4A27 P28 I29 K33 L34 L35 S69 F70 A142 D144A27-R31 WeakPolarHBondContact O-CB 3.3Å; A27-R31 PolarHBondContact O-N 3.36Å; P28-R31 PolarHBondContact O-N 2.88Å; I29-R31 VanDerWaalsContact C-N 3.33Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.14Å; R31-L34 PolarHBondContact O-N 2.6Å; R31-L35 HydrophobicContact CG-CD1 4.09Å; R31-L35 HydrophobicContact CG-CG 4.49Å; R31-L35 WeakPolarHBondContact O-CG 3.41Å; R31-L35 PolarHBondContact O-N 3.49Å; R31-S69 WeakPolarHBondContact CD-O 3.36Å; R31-S69 PolarHBondContact NE-O 2.85Å; R31-S69 VanDerWaalsContact NH1-CB 3.28Å; R31-S69 PolarHBondContact NH1-O 2.93Å; R31-S69 PolarHBondContact NH1-OG 3.18Å; R31-F70 WeakPolarHBondContact CD-O 3.47Å; R31-A142 HydrophobicContact CG-CB 4.34Å; R31-A142 PolarHBondContact NE-O 3.14Å; R31-D144 PolarHBondContact NH2-O 2.84Å
32V97.2Very high96Very high0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-57-45.9174.2172.60000110.9P28 I29 L34 L35 L36 I54 C57 V58 I61P28-V32 WeakPolarHBondContact O-CG2 3.48Å; P28-V32 PolarHBondContact O-N 2.64Å; P28-V32 VanDerWaalsContact O-N 3.12Å; I29-V32 HydrophobicContact CD1-CB 4.36Å; I29-V32 PolarHBondContact O-N 2.74Å; V32-L34 PolarHBondContact O-N 3.2Å; V32-L35 PolarHBondContact O-N 3.29Å; V32-L36 HydrophobicContact CG1-CD1 3.94Å; V32-L36 HydrophobicContact CG1-CG 4.41Å; V32-L36 WeakPolarHBondContact O-CG 3.32Å; V32-L36 PolarHBondContact O-N 3.05Å; V32-I54 HydrophobicContact CG1-CB 4.35Å; V32-I54 HydrophobicContact CG1-CG1 4.33Å; V32-I54 HydrophobicContact CG1-CG2 4.14Å; V32-C57 HydrophobicContact CG1-CB 3.87Å; V32-C57 HydrophobicContact CG2-CB 4.27Å; V32-V58 HydrophobicContact CG2-CG1 3.63Å; V32-I61 HydrophobicContact CG2-CD1 4.27Å
33K97.3Very high96Very high8 Ų822.8 Ų22.84%0.03512%0.123CC..Hα-helixtrans-53.9-51.2174.6177.4-91.9-172.7-1730111.5I29 E30 R31 Q37 Y229 D232 G273 N277I29-K33 WeakPolarHBondContact O-CB 3.43Å; I29-K33 PolarHBondContact O-N 2.78Å; E30-K33 WeakPolarHBondContact O-CB 3.47Å; E30-K33 PolarHBondContact O-N 3.2Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.14Å; K33-Q37 WeakPolarHBondContact O-CB 3.42Å; K33-Q37 PolarHBondContact O-N 3.02Å; K33-Y229 WeakPolarHBondContact CE-OH 3.3Å; K33-D232 IonicContact NZ-OD2 3.15Å; K33-D232 PolarHBondContact NZ-OD2 3.24Å; K33-G273 WeakPolarHBondContact CG-O 3.41Å; K33-N277 HydrophobicContact CG-CB 3.92Å
34L97.5Very high95.9Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-65.5-44.3-178-73.6173.8000112E30 R31 V32 Q37 V38 T139 A142 R236E30-L34 WeakPolarHBondContact O-CG 3.35Å; E30-L34 PolarHBondContact O-N 3.23Å; R31-L34 PolarHBondContact O-N 2.6Å; V32-L34 PolarHBondContact O-N 3.2Å; L34-Q37 PolarHBondContact O-N 2.99Å; L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 3.21Å; L34-T139 HydrophobicContact CD2-CG2 4.45Å; L34-A142 HydrophobicContact CB-CB 4.13Å; L34-A142 HydrophobicContact CD1-CB 3.45Å; L34-A142 VanDerWaalsContact CD1-CB 3.45Å; L34-A142 HydrophobicContact CG-CB 4.45Å; L34-R236 HydrophobicContact CD2-CG 4.23Å
35L97.5Very high95.8Very high1 Ų121.6 Ų21.61%0.00512%0.116CC..Hα-helixtrans-58.6-51.1177.4-76.7167.4000111.2R31 V32 Q37 V38 Q39 I45 Y51 I61 V145R31-L35 HydrophobicContact CG-CD1 4.09Å; R31-L35 HydrophobicContact CG-CG 4.49Å; R31-L35 WeakPolarHBondContact O-CG 3.41Å; R31-L35 PolarHBondContact O-N 3.49Å; V32-L35 PolarHBondContact O-N 3.29Å; L35-Q37 PolarHBondContact O-N 3.22Å; L35-V38 PolarHBondContact O-N 3.08Å; L35-Q39 WeakPolarHBondContact O-CA 3.28Å; L35-Q39 WeakPolarHBondContact O-CB 3.41Å; L35-Q39 VanDerWaalsContact O-CG 3.22Å; L35-Q39 WeakPolarHBondContact O-CG 3.49Å; L35-Q39 PolarHBondContact O-N 3.22Å; L35-I45 HydrophobicContact CD2-CD1 4.43Å; L35-Y51 HydrophobicContact CB-CD2 4.27Å; L35-Y51 HydrophobicContact CB-CE2 4.35Å; L35-Y51 HydrophobicContact CD1-CE2 4Å; L35-Y51 HydrophobicContact CD2-CE2 4.25Å; L35-Y51 HydrophobicContact CG-CE2 4.44Å; L35-I61 HydrophobicContact CD1-CD1 3.63Å; L35-I61 HydrophobicContact CD1-CG1 4.22Å; L35-V145 HydrophobicContact CD2-CG1 3.7Å
36L96.9Very high95.7Very high17 Ų1721.2 Ų21.29%0.08911%0.109CC..Hα-helixtrans-59.4-37.9177.4-67.5174.9000112.1V32 I54 K272V32-L36 HydrophobicContact CG1-CD1 3.94Å; V32-L36 HydrophobicContact CG1-CG 4.41Å; V32-L36 WeakPolarHBondContact O-CG 3.32Å; V32-L36 PolarHBondContact O-N 3.05Å; L36-I54 HydrophobicContact CD1-CG1 4.08Å; L36-K272 WeakPolarHBondContact O-CB 3.18Å
37Q96.7Very high95.5Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-69.9-37.1-178.6-169.3175.932.500113K33 L34 L35 Y229 D232 T233 R237 K272K33-Q37 WeakPolarHBondContact O-CB 3.42Å; K33-Q37 PolarHBondContact O-N 3.02Å; L34-Q37 PolarHBondContact O-N 2.99Å; L35-Q37 PolarHBondContact O-N 3.22Å; Q37-Y229 PolarHBondContact NE2-OH 2.8Å; Q37-D232 PolarHBondContact NE2-OD2 3Å; Q37-D232 PolarHBondContact OE1-OD2 2.93Å; Q37-T233 HydrophobicContact CG-CG2 4.16Å; Q37-T233 VanDerWaalsContact NE2-CA 3.26Å; Q37-T233 PolarHBondContact NE2-OG1 3.23Å; Q37-R237 PolarHBondContact O-NE 3.11Å; Q37-R237 PolarHBondContact O-NH2 3.3Å; Q37-K272 WeakPolarHBondContact CA-O 3.5Å; Q37-K272 WeakPolarHBondContact CB-O 3.33Å
38V96.7Very high95.3Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-116.9-7-170.4-500000115.7L34 L35 H40 A41 S42 A143 R236 M240L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 3.21Å; L35-V38 PolarHBondContact O-N 3.08Å; V38-H40 PolarHBondContact O-N 3.38Å; V38-H40 VanDerWaalsContact O-N 3.1Å; V38-A41 CarbonylContact O-C 3.42Å; V38-A41 WeakPolarHBondContact O-CA 3.4Å; V38-A41 PolarHBondContact O-N 3.22Å; V38-S42 PolarHBondContact O-N 3.21Å; V38-A143 HydrophobicContact CG2-CB 3.63Å; V38-R236 HydrophobicContact CG1-CB 3.45Å; V38-R236 VanDerWaalsContact CG1-CB 3.45Å; V38-R236 HydrophobicContact CG1-CG 4.44Å; V38-M240 HydrophobicContact CB-CG 3.95Å; V38-M240 HydrophobicContact CB-SD 4.35Å; V38-M240 HydrophobicContact CG1-CG 4.36Å; V38-M240 HydrophobicContact CG2-CE 4.5Å; V38-M240 HydrophobicContact CG2-CG 4.3Å; V38-M240 HydrophobicContact CG2-SD 4.05Å
39Q96.8Very high95.2Very high11 Ų1136.6 Ų36.65%0.05119%0.188CC..G310 helixtrans-55.6-31.9-176.157.5-177.8-20.500114.2L35 A41 S42 I45 Q50 Y51L35-Q39 WeakPolarHBondContact O-CA 3.28Å; L35-Q39 WeakPolarHBondContact O-CB 3.41Å; L35-Q39 VanDerWaalsContact O-CG 3.22Å; L35-Q39 WeakPolarHBondContact O-CG 3.49Å; L35-Q39 PolarHBondContact O-N 3.22Å; Q39-A41 PolarHBondContact O-N 3.15Å; Q39-S42 VanDerWaalsContact O-CB 3.28Å; Q39-S42 WeakPolarHBondContact O-CB 3.4Å; Q39-S42 PolarHBondContact O-N 3.12Å; Q39-I45 HydrophobicContact CB-CD1 3.62Å; Q39-Q50 HydrophobicContact CG-CG 4.37Å; Q39-Y51 PolarHBondContact NE2-O 3.04Å; Q39-Y51 VanDerWaalsContact NE2-O 3.12Å
40H94.5Very high95.2Very high60 Ų6037.4 Ų37.428%0.27819%0.191SC..G310 helixtrans-62.8-26.5175.8-173.882.5000112.6V38 E265V38-H40 PolarHBondContact O-N 3.38Å; V38-H40 VanDerWaalsContact O-N 3.1Å; H40-E265 WeakPolarHBondContact CB-OE2 3.12Å; H40-E265 IonicContact CD2-OE1 3.17Å; H40-E265 PolarHBondContact CD2-OE1 3.42Å; H40-E265 VanDerWaalsContact CD2-OE1 3.32Å; H40-E265 IonicContact CD2-OE2 3.42Å; H40-E265 VanDerWaalsContact CG-CD 3.45Å; H40-E265 IonicContact CG-OE1 3.39Å; H40-E265 IonicContact CG-OE2 2.93Å; H40-E265 IonicContact ND1-OE2 3.33Å; H40-E265 IonicContact NE2-OE1 3.79Å
41A93.7Very high95.2Very high0 Ų037.1 Ų37.10%019%0.189CC..G310 helixtrans-104.727.4174.600000112.2V38 Q39 M240 R244 M250 Y251V38-A41 CarbonylContact O-C 3.42Å; V38-A41 WeakPolarHBondContact O-CA 3.4Å; V38-A41 PolarHBondContact O-N 3.22Å; Q39-A41 PolarHBondContact O-N 3.15Å; A41-M240 HydrophobicContact CB-CB 4.23Å; A41-M240 HydrophobicContact CB-CG 4.48Å; A41-R244 VanDerWaalsContact C-NH2 3.35Å; A41-R244 PolarHBondContact O-NH2 2.93Å; A41-M250 HydrophobicContact CB-CE 4.44Å; A41-M250 HydrophobicContact CB-SD 3.92Å; A41-Y251 HydrophobicContact CB-CE2 4.16Å
42S93.8Very high95.1Very high17 Ų1746.1 Ų46.112%0.11923%0.228CC..  trans-91.7146.1173-176.50000111V38 Q39 Q44 I45V38-S42 PolarHBondContact O-N 3.21Å; Q39-S42 VanDerWaalsContact O-CB 3.28Å; Q39-S42 WeakPolarHBondContact O-CB 3.4Å; Q39-S42 PolarHBondContact O-N 3.12Å; S42-Q44 PolarHBondContact OG-N 3.36Å; S42-Q44 VanDerWaalsContact OG-N 3.15Å; S42-I45 PolarHBondContact OG-N 3.01Å
43K91.6Very high95Very high115 Ų11547.2 Ų47.250%0.524%0.239SC..SBendtrans-84-22.6168.4-75.5-169162.3-168.30112.7D248K43-D248 WeakPolarHBondContact CE-OD2 3.41Å; K43-D248 IonicContact NZ-OD2 2.7Å; K43-D248 PolarHBondContact NZ-OD2 3.47Å
44Q91.4Very high94.8Very high63 Ų6348.9 Ų48.929%0.29425%0.248SC..SBendtrans-93.8-18.9-173.7-65.2171.7-44.800112.8S42 D144 V145 Q151S42-Q44 PolarHBondContact OG-N 3.36Å; S42-Q44 VanDerWaalsContact OG-N 3.15Å; Q44-D144 PolarHBondContact NE2-OD1 2.95Å; Q44-D144 PolarHBondContact OE1-OD1 2.98Å; Q44-V145 HydrophobicContact CB-CG2 3.38Å; Q44-V145 HydrophobicContact CG-CG2 4.35Å; Q44-Q151 PolarHBondContact NE2-O 2.85Å
45I94.1Very high94.8Very high13 Ų1355.3 Ų55.37%0.06728%0.281CS..  trans-104.2103.8-178.1-54171000108.5L35 Q39 S42 K49 Q50 Y51 V145L35-I45 HydrophobicContact CD2-CD1 4.43Å; Q39-I45 HydrophobicContact CB-CD1 3.62Å; S42-I45 PolarHBondContact OG-N 3.01Å; I45-K49 HydrophobicContact CG2-CB 4.26Å; I45-Q50 HydrophobicContact CG2-CB 4.35Å; I45-Q50 HydrophobicContact CG2-CG 3.72Å; I45-Y51 HydrophobicContact CD1-CE2 4.46Å; I45-V145 HydrophobicContact CD1-CG1 3.75Å; I45-V145 HydrophobicContact CD1-CG2 4.27Å; I45-V145 HydrophobicContact CG1-CB 4.37Å; I45-V145 HydrophobicContact CG1-CG1 3.99Å; I45-V145 HydrophobicContact CG1-CG2 3.58Å
46S92.9Very high94.8Very high46 Ų4657.3 Ų57.332%0.32229%0.292SS..  trans-67.4162169.871.60000110.8E48 K49 Q50S46-E48 WeakPolarHBondContact CB-OE2 3.2Å; S46-E48 PolarHBondContact O-N 2.65Å; S46-E48 PolarHBondContact OG-OE2 3.12Å; S46-K49 PolarHBondContact O-N 3.04Å; S46-K49 WeakPolarHBondContact OG-CG 3.45Å; S46-Q50 PolarHBondContact O-N 3.25Å
47A92.2Very high94.8Very high73 Ų7356.5 Ų56.560%0.60329%0.288SS*.G310 helixtrans-55.6-37.8-177.300000112.4K49A47-K49 VanDerWaalsContact C-N 3.29Å; A47-K49 PolarHBondContact O-N 3.46Å
48E93.3Very high94.7Very high161 Ų16159.2 Ų59.275%0.75230%0.304SS*.G310 helixtrans-73-22.3-179.3-44.571.8-147.500112.5S46S46-E48 WeakPolarHBondContact CB-OE2 3.2Å; S46-E48 PolarHBondContact O-N 2.65Å; S46-E48 PolarHBondContact OG-OE2 3.12Å
49K94.3Very high94.8Very high131 Ų13162.7 Ų62.757%0.5733%0.325SS*.G310 helixtrans-96.2-2-177.5-69.6-179.1-178.7172.10113.5I45 S46 A47 R60I45-K49 HydrophobicContact CG2-CB 4.26Å; S46-K49 PolarHBondContact O-N 3.04Å; S46-K49 WeakPolarHBondContact OG-CG 3.45Å; A47-K49 VanDerWaalsContact C-N 3.29Å; A47-K49 PolarHBondContact O-N 3.46Å; K49-R60 PolarHBondContact O-NH1 2.66Å; K49-R60 PolarHBondContact O-NH2 3Å
50Q96Very high94.8Very high52 Ų5264.5 Ų64.524%0.24333%0.332CS..SBendtrans-58.2142.5177.9-69.8-173.911.400111.3Q39 I45 S46 R60Q39-Q50 HydrophobicContact CG-CG 4.37Å; I45-Q50 HydrophobicContact CG2-CB 4.35Å; I45-Q50 HydrophobicContact CG2-CG 3.72Å; S46-Q50 PolarHBondContact O-N 3.25Å; Q50-R60 PolarHBondContact O-NH1 3.2Å
51Y96.6Very high94.9Very high10 Ų1061.7 Ų61.74%0.03932%0.318CS..  trans-71.7129.9175.5-59.9-69.7000110L35 Q39 I45 G53 D56 C57 R60 E64 V145L35-Y51 HydrophobicContact CB-CD2 4.27Å; L35-Y51 HydrophobicContact CB-CE2 4.35Å; L35-Y51 HydrophobicContact CD1-CE2 4Å; L35-Y51 HydrophobicContact CD2-CE2 4.25Å; L35-Y51 HydrophobicContact CG-CE2 4.44Å; Q39-Y51 PolarHBondContact NE2-O 3.04Å; Q39-Y51 VanDerWaalsContact NE2-O 3.12Å; I45-Y51 HydrophobicContact CD1-CE2 4.46Å; Y51-G53 VanDerWaalsContact C-N 3.29Å; Y51-G53 PolarHBondContact O-N 3.32Å; Y51-D56 VanDerWaalsContact CA-OD2 3.29Å; Y51-D56 WeakPolarHBondContact CA-OD2 3.42Å; Y51-C57 HydrophobicContact CD1-CB 4.1Å; Y51-C57 HydrophobicContact CG-CB 3.99Å; Y51-R60 HydrophobicContact CD1-CB 4.32Å; Y51-R60 HydrophobicContact CE1-CB 3.85Å; Y51-E64 PolarHBondContact OH-OE2 3.05Å; Y51-V145 HydrophobicContact CE2-CG1 4.43Å
52K95.3Very high95Very high191 Ų19163.6 Ų63.683%0.8333%0.331SS*.  trans-75.4-18-175.3-62.5179.6179.6178.40113.3D56K52-D56 HydrophobicContact CB-CB 4.06Å; K52-D56 PolarHBondContact N-OD2 3.34Å
53G95Very high95.1Very high22 Ų2271.1 Ų71.123%0.22736%0.361CS..SBendtrans168.6-167.2-178.600000112Y51 C57Y51-G53 VanDerWaalsContact C-N 3.29Å; Y51-G53 PolarHBondContact O-N 3.32Å; G53-C57 WeakPolarHBondContact O-CB 3.21Å; G53-C57 PolarHBondContact O-N 3.48Å
54I94.9Very high95.3Very high43 Ų4367.9 Ų67.922%0.22135%0.348CS..Hα-helixtrans-62.4-51.8-176.5-58.9-179.8000111I29 V32 L36 C57 V58 S276 L279I29-I54 HydrophobicContact CD1-CG2 4.08Å; V32-I54 HydrophobicContact CG1-CB 4.35Å; V32-I54 HydrophobicContact CG1-CG1 4.33Å; V32-I54 HydrophobicContact CG1-CG2 4.14Å; L36-I54 HydrophobicContact CD1-CG1 4.08Å; I54-C57 WeakPolarHBondContact O-CB 3.27Å; I54-C57 PolarHBondContact O-N 2.86Å; I54-V58 HydrophobicContact CG2-CG1 4.5Å; I54-V58 WeakPolarHBondContact O-CG2 3.29Å; I54-V58 PolarHBondContact O-N 3.43Å; I54-S276 WeakPolarHBondContact CD1-OG 3.42Å; I54-S276 VanDerWaalsContact CG1-OG 3.26Å; I54-S276 WeakPolarHBondContact CG1-OG 3.03Å; I54-L279 HydrophobicContact CD1-CD1 4.27Å
55I96.7Very high95.4Very high135 Ų13565.8 Ų65.869%0.69234%0.338SS*.Hα-helixtrans-61.7-48.1-176.5-61.4176.3000110.7C57 V58 V59I55-C57 VanDerWaalsContact C-N 3.29Å; I55-C57 PolarHBondContact O-N 3.26Å; I55-V58 VanDerWaalsContact O-CG2 3.23Å; I55-V58 WeakPolarHBondContact O-CG2 3.34Å; I55-V58 PolarHBondContact O-N 2.78Å; I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CB 3.37Å; I55-V59 VanDerWaalsContact O-CG2 3.28Å; I55-V59 WeakPolarHBondContact O-CG2 3.25Å; I55-V59 PolarHBondContact O-N 3.34Å
56D97.5Very high95.5Very high44 Ų4466.8 Ų66.824%0.23535%0.352CS..Hα-helixtrans-57-44.1176.2-176.965.8000111.6Y51 K52 V59 R60Y51-D56 VanDerWaalsContact CA-OD2 3.29Å; Y51-D56 WeakPolarHBondContact CA-OD2 3.42Å; K52-D56 HydrophobicContact CB-CB 4.06Å; K52-D56 PolarHBondContact N-OD2 3.34Å; D56-V59 PolarHBondContact O-N 3.34Å; D56-R60 VanDerWaalsContact CG-CD 3.46Å; D56-R60 VanDerWaalsContact O-CB 3.23Å; D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 WeakPolarHBondContact O-CD 3.47Å; D56-R60 VanDerWaalsContact O-CG 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.33Å; D56-R60 PolarHBondContact O-N 2.89Å; D56-R60 WeakPolarHBondContact OD1-CD 3.32Å; D56-R60 WeakPolarHBondContact OD2-CD 3.34Å; D56-R60 IonicContact OD2-CZ 3.66Å; D56-R60 IonicContact OD2-NH1 3.75Å; D56-R60 PolarHBondContact OD2-NH1 3.05Å
57C96Very high95.6Very high0 Ų070.7 Ų70.70%036%0.363CS..Hα-helixtrans-64.5-48.1179.5-164.20000112.4V32 Y51 G53 I54 I55 V59 R60 I61V32-C57 HydrophobicContact CG1-CB 3.87Å; V32-C57 HydrophobicContact CG2-CB 4.27Å; Y51-C57 HydrophobicContact CD1-CB 4.1Å; Y51-C57 HydrophobicContact CG-CB 3.99Å; G53-C57 WeakPolarHBondContact O-CB 3.21Å; G53-C57 PolarHBondContact O-N 3.48Å; I54-C57 WeakPolarHBondContact O-CB 3.27Å; I54-C57 PolarHBondContact O-N 2.86Å; I55-C57 VanDerWaalsContact C-N 3.29Å; I55-C57 PolarHBondContact O-N 3.26Å; C57-V59 VanDerWaalsContact C-N 3.33Å; C57-V59 PolarHBondContact O-N 3.13Å; C57-R60 PolarHBondContact O-N 3.49Å; C57-I61 WeakPolarHBondContact O-CB 3.04Å; C57-I61 WeakPolarHBondContact O-CD1 3.46Å; C57-I61 WeakPolarHBondContact O-CG1 3.39Å; C57-I61 PolarHBondContact O-N 3.07Å; C57-I61 WeakPolarHBondContact SG-CD1 3.49Å
58V96.1Very high95.8Very high56 Ų5673.9 Ų73.934%0.33937%0.37SS..Hα-helixtrans-67.7-31.2179.9-61.70000112.9V32 I54 I55 P62 F70V32-V58 HydrophobicContact CG2-CG1 3.63Å; I54-V58 HydrophobicContact CG2-CG1 4.5Å; I54-V58 WeakPolarHBondContact O-CG2 3.29Å; I54-V58 PolarHBondContact O-N 3.43Å; I55-V58 VanDerWaalsContact O-CG2 3.23Å; I55-V58 WeakPolarHBondContact O-CG2 3.34Å; I55-V58 PolarHBondContact O-N 2.78Å; V58-P62 WeakPolarHBondContact O-CD 3.4Å; V58-F70 HydrophobicContact CB-CZ 4.28Å; V58-F70 HydrophobicContact CG1-CE1 4.44Å; V58-F70 WeakPolarHBondContact O-CZ 3.23Å
59V97.5Very high95.9Very high74 Ų7466.5 Ų66.545%0.44834%0.336SS..Hα-helixtrans-76.2-37.5177.7171.70000111.4I55 D56 C57I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CB 3.37Å; I55-V59 VanDerWaalsContact O-CG2 3.28Å; I55-V59 WeakPolarHBondContact O-CG2 3.25Å; I55-V59 PolarHBondContact O-N 3.34Å; D56-V59 PolarHBondContact O-N 3.34Å; C57-V59 VanDerWaalsContact C-N 3.33Å; C57-V59 PolarHBondContact O-N 3.13Å
60R97.4Very high96.1Very high49 Ų4961.1 Ų61.119%0.18531%0.312CS..Hα-helixtrans-81.7-39.7-175.4-73.9171.958.2-166.3-3.6113.5K49 Q50 Y51 D56 C57 K63 E64K49-R60 PolarHBondContact O-NH1 2.66Å; K49-R60 PolarHBondContact O-NH2 3Å; Q50-R60 PolarHBondContact O-NH1 3.2Å; Y51-R60 HydrophobicContact CD1-CB 4.32Å; Y51-R60 HydrophobicContact CE1-CB 3.85Å; D56-R60 VanDerWaalsContact CG-CD 3.46Å; D56-R60 VanDerWaalsContact O-CB 3.23Å; D56-R60 WeakPolarHBondContact O-CB 3.41Å; D56-R60 WeakPolarHBondContact O-CD 3.47Å; D56-R60 VanDerWaalsContact O-CG 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.33Å; D56-R60 PolarHBondContact O-N 2.89Å; D56-R60 WeakPolarHBondContact OD1-CD 3.32Å; D56-R60 WeakPolarHBondContact OD2-CD 3.34Å; D56-R60 IonicContact OD2-CZ 3.66Å; D56-R60 IonicContact OD2-NH1 3.75Å; D56-R60 PolarHBondContact OD2-NH1 3.05Å; C57-R60 PolarHBondContact O-N 3.49Å; R60-K63 PolarHBondContact O-N 2.61Å; R60-E64 HydrophobicContact CB-CG 4.47Å; R60-E64 IonicContact CZ-OE1 2.94Å; R60-E64 VanDerWaalsContact CZ-OE1 3.31Å; R60-E64 IonicContact NE-OE1 2.89Å; R60-E64 PolarHBondContact NE-OE1 2.77Å; R60-E64 IonicContact NH2-OE1 3.89Å; R60-E64 PolarHBondContact NH2-OE1 3.25Å; R60-E64 WeakPolarHBondContact O-CB 3.18Å; R60-E64 WeakPolarHBondContact O-CG 3.3Å; R60-E64 PolarHBondContact O-N 3.3Å
61I96.3Very high96.2Very high0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-50.9-50.8-176.5-78.4167.2000113V32 L35 C57 K63 E64 Q65 S69 F70V32-I61 HydrophobicContact CG2-CD1 4.27Å; L35-I61 HydrophobicContact CD1-CD1 3.63Å; L35-I61 HydrophobicContact CD1-CG1 4.22Å; C57-I61 WeakPolarHBondContact O-CB 3.04Å; C57-I61 WeakPolarHBondContact O-CD1 3.46Å; C57-I61 WeakPolarHBondContact O-CG1 3.39Å; C57-I61 PolarHBondContact O-N 3.07Å; C57-I61 WeakPolarHBondContact SG-CD1 3.49Å; I61-K63 VanDerWaalsContact C-N 3.31Å; I61-K63 PolarHBondContact O-N 2.76Å; I61-E64 PolarHBondContact O-N 2.91Å; I61-Q65 PolarHBondContact O-N 3.18Å; I61-S69 WeakPolarHBondContact CG2-OG 3.33Å; I61-F70 HydrophobicContact CB-CE1 3.94Å; I61-F70 HydrophobicContact CB-CZ 4.19Å; I61-F70 HydrophobicContact CD1-CD1 4.18Å; I61-F70 HydrophobicContact CD1-CE1 3.8Å; I61-F70 HydrophobicContact CG2-CD1 3.89Å; I61-F70 HydrophobicContact CG2-CE1 3.76Å; I61-F70 HydrophobicContact CG2-CE2 4.5Å; I61-F70 HydrophobicContact CG2-CG 4.29Å; I61-F70 HydrophobicContact CG2-CZ 4.09Å
62P96.5Very high96.2Very high40 Ų4062.9 Ų62.926%0.2632%0.317SS..Hα-helixtrans-62.2-37.9179.9-25.937000113.1V58 G66 F67 F70V58-P62 WeakPolarHBondContact O-CD 3.4Å; P62-G66 WeakPolarHBondContact O-CA 3.2Å; P62-G66 PolarHBondContact O-N 3.42Å; P62-F67 HydrophobicContact CG-CD2 4.47Å; P62-F70 HydrophobicContact CG-CD2 4.46Å; P62-F70 HydrophobicContact CG-CE2 3.49Å; P62-F70 VanDerWaalsContact CG-CE2 3.49Å; P62-F70 HydrophobicContact CG-CZ 3.76Å
63K95.3Very high96.2Very high175 Ų17554.2 Ų54.276%0.76128%0.281SS*.Hα-helixtrans-71.5-34.7178.6-62.8-179.2179.8-177.70112.2R60 I61R60-K63 PolarHBondContact O-N 2.61Å; I61-K63 VanDerWaalsContact C-N 3.31Å; I61-K63 PolarHBondContact O-N 2.76Å
64E95Very high96.3Very high48 Ų4853.9 Ų53.922%0.22428%0.275CS..Hα-helixtrans-84.3-37.6-176.1-71.3175.1179.200112.7Y51 R60 I61 K147Y51-E64 PolarHBondContact OH-OE2 3.05Å; R60-E64 HydrophobicContact CB-CG 4.47Å; R60-E64 IonicContact CZ-OE1 2.94Å; R60-E64 VanDerWaalsContact CZ-OE1 3.31Å; R60-E64 IonicContact NE-OE1 2.89Å; R60-E64 PolarHBondContact NE-OE1 2.77Å; R60-E64 IonicContact NH2-OE1 3.89Å; R60-E64 PolarHBondContact NH2-OE1 3.25Å; R60-E64 WeakPolarHBondContact O-CB 3.18Å; R60-E64 WeakPolarHBondContact O-CG 3.3Å; R60-E64 PolarHBondContact O-N 3.3Å; I61-E64 PolarHBondContact O-N 2.91Å; E64-K147 WeakPolarHBondContact O-CB 3.43Å; E64-K147 WeakPolarHBondContact O-CD 3.27Å; E64-K147 WeakPolarHBondContact O-CG 3.23Å
65Q94.6Very high96.4Very high18 Ų1857 Ų578%0.08429%0.291CS..Hα-helixtrans-135.81.4-167-54.9-176.9-88.300114.6I61 D144 V145 G146I61-Q65 PolarHBondContact O-N 3.18Å; Q65-D144 PolarHBondContact NE2-O 2.65Å; Q65-D144 VanDerWaalsContact NE2-O 3.13Å; Q65-V145 PolarHBondContact NE2-O 3.02Å; Q65-G146 PolarHBondContact NE2-O 3.38Å; Q65-G146 VanDerWaalsContact NE2-O 3.1Å
66G95.2Very high96.4Very high34 Ų3450.6 Ų50.635%0.35126%0.259SS..  trans85.4152.6-174.100000113.6P62 L68 S69P62-G66 WeakPolarHBondContact O-CA 3.2Å; P62-G66 PolarHBondContact O-N 3.42Å; G66-L68 PolarHBondContact O-N 3Å; G66-S69 VanDerWaalsContact O-CB 3.23Å; G66-S69 WeakPolarHBondContact O-CB 3.48Å; G66-S69 PolarHBondContact O-N 3.13Å; G66-S69 VanDerWaalsContact O-N 3.09Å; G66-S69 PolarHBondContact O-OG 2.97Å
67F96Very high96.2Very high128 Ų12848.8 Ų48.856%0.56125%0.249SC*.G310 helixtrans-58.4-42.3-174.8-176.8-100.6000113.6P62 S69 F70 W71P62-F67 HydrophobicContact CG-CD2 4.47Å; F67-S69 PolarHBondContact O-N 3.37Å; F67-F70 HydrophobicContact CD2-CD2 4.21Å; F67-F70 HydrophobicContact CD2-CE2 4.19Å; F67-F70 HydrophobicContact CE2-CD2 4.26Å; F67-F70 HydrophobicContact CE2-CE2 4.23Å; F67-F70 WeakPolarHBondContact O-CD2 3.13Å; F67-F70 PolarHBondContact O-N 3.41Å; F67-W71 HydrophobicContact CD1-CZ3 4.13Å; F67-W71 AromaticContact CE1-CH2 3.91Å; F67-W71 HydrophobicContact CE1-CH2 3.91Å; F67-W71 AromaticContact CE1-CZ3 3.72Å; F67-W71 HydrophobicContact CE1-CZ3 3.72Å; F67-W71 HydrophobicContact CZ-CH2 4.19Å; F67-W71 HydrophobicContact CZ-CZ3 4.26Å
68L96.3Very high96.2Very high141 Ų14150.7 Ų50.774%0.73826%0.26SS*.G310 helixtrans-62.8-16.5179.7-65178.4000113.4G66 F70 W71G66-L68 PolarHBondContact O-N 3Å; L68-F70 PolarHBondContact O-N 2.98Å; L68-W71 PolarHBondContact O-N 3.04Å; L68-W71 VanDerWaalsContact O-N 3.16Å
69S96.3Very high96.2Very high6 Ų651.3 Ų51.34%0.04226%0.261CS..G310 helixtrans-64-20177.573.50000112.7R31 I61 G66 F67 W71 R72R31-S69 WeakPolarHBondContact CD-O 3.36Å; R31-S69 PolarHBondContact NE-O 2.85Å; R31-S69 VanDerWaalsContact NH1-CB 3.28Å; R31-S69 PolarHBondContact NH1-O 2.93Å; R31-S69 PolarHBondContact NH1-OG 3.18Å; I61-S69 WeakPolarHBondContact CG2-OG 3.33Å; G66-S69 VanDerWaalsContact O-CB 3.23Å; G66-S69 WeakPolarHBondContact O-CB 3.48Å; G66-S69 PolarHBondContact O-N 3.13Å; G66-S69 VanDerWaalsContact O-N 3.09Å; G66-S69 PolarHBondContact O-OG 2.97Å; F67-S69 PolarHBondContact O-N 3.37Å; S69-W71 PolarHBondContact O-N 3.4Å; S69-W71 VanDerWaalsContact O-N 3.13Å; S69-R72 WeakPolarHBondContact O-CB 3.45Å; S69-R72 PolarHBondContact O-N 2.85Å
70F97.4Very high96Very high17 Ų1750.6 Ų50.68%0.07525%0.25CS..G310 helixtrans-54.3-31.2172.3-81-55.1000113.7P28 R31 V58 I61 P62 F67 L68 R72P28-F70 HydrophobicContact CB-CB 3.84Å; P28-F70 HydrophobicContact CB-CD1 3.86Å; P28-F70 HydrophobicContact CB-CG 3.87Å; P28-F70 HydrophobicContact CG-CB 3.96Å; P28-F70 HydrophobicContact CG-CG 4.41Å; R31-F70 WeakPolarHBondContact CD-O 3.47Å; V58-F70 HydrophobicContact CB-CZ 4.28Å; V58-F70 HydrophobicContact CG1-CE1 4.44Å; V58-F70 WeakPolarHBondContact O-CZ 3.23Å; I61-F70 HydrophobicContact CB-CE1 3.94Å; I61-F70 HydrophobicContact CB-CZ 4.19Å; I61-F70 HydrophobicContact CD1-CD1 4.18Å; I61-F70 HydrophobicContact CD1-CE1 3.8Å; I61-F70 HydrophobicContact CG2-CD1 3.89Å; I61-F70 HydrophobicContact CG2-CE1 3.76Å; I61-F70 HydrophobicContact CG2-CE2 4.5Å; I61-F70 HydrophobicContact CG2-CG 4.29Å; I61-F70 HydrophobicContact CG2-CZ 4.09Å; P62-F70 HydrophobicContact CG-CD2 4.46Å; P62-F70 HydrophobicContact CG-CE2 3.49Å; P62-F70 VanDerWaalsContact CG-CE2 3.49Å; P62-F70 HydrophobicContact CG-CZ 3.76Å; F67-F70 HydrophobicContact CD2-CD2 4.21Å; F67-F70 HydrophobicContact CD2-CE2 4.19Å; F67-F70 HydrophobicContact CE2-CD2 4.26Å; F67-F70 HydrophobicContact CE2-CE2 4.23Å; F67-F70 WeakPolarHBondContact O-CD2 3.13Å; F67-F70 PolarHBondContact O-N 3.41Å; L68-F70 PolarHBondContact O-N 2.98Å; F70-R72 VanDerWaalsContact C-N 3.31Å
71W97.9Very high95.8Very high80 Ų8050.5 Ų50.530%0.30325%0.25SS..G310 helixtrans-91.813.4177.8-70.1-90.4000113.7T24 A27 P28 F67 L68 S69 G73 N74T24-W71 PolarHBondContact O-NE1 3.42Å; A27-W71 HydrophobicContact CB-CG 4.27Å; P28-W71 HydrophobicContact CG-CH2 4.06Å; P28-W71 HydrophobicContact CG-CZ2 3.71Å; F67-W71 HydrophobicContact CD1-CZ3 4.13Å; F67-W71 AromaticContact CE1-CH2 3.91Å; F67-W71 HydrophobicContact CE1-CH2 3.91Å; F67-W71 AromaticContact CE1-CZ3 3.72Å; F67-W71 HydrophobicContact CE1-CZ3 3.72Å; F67-W71 HydrophobicContact CZ-CH2 4.19Å; F67-W71 HydrophobicContact CZ-CZ3 4.26Å; L68-W71 PolarHBondContact O-N 3.04Å; L68-W71 VanDerWaalsContact O-N 3.16Å; S69-W71 PolarHBondContact O-N 3.4Å; S69-W71 VanDerWaalsContact O-N 3.13Å; W71-G73 PolarHBondContact O-N 2.9Å; W71-G73 VanDerWaalsContact O-N 3.16Å; W71-N74 HydrophobicContact CB-CB 4.14Å; W71-N74 WeakPolarHBondContact O-CB 3.44Å; W71-N74 PolarHBondContact O-N 3.44Å
72R97.1Very high95.6Very high19 Ų1953.8 Ų53.87%0.07227%0.265CS..THydrogen-bonded Turntrans-65120.4-178.6-166.3172-169.5-177-0.9111.4S69 F70 L141 D144 R152 F154S69-R72 WeakPolarHBondContact O-CB 3.45Å; S69-R72 PolarHBondContact O-N 2.85Å; F70-R72 VanDerWaalsContact C-N 3.31Å; R72-L141 WeakPolarHBondContact CD-O 2.97Å; R72-L141 HydrophobicContact CG-CB 4.35Å; R72-L141 VanDerWaalsContact CG-O 3.28Å; R72-L141 WeakPolarHBondContact CG-O 3.47Å; R72-D144 IonicContact CZ-OD1 3.74Å; R72-D144 IonicContact CZ-OD2 3.84Å; R72-D144 PolarHBondContact NH1-O 3.36Å; R72-D144 IonicContact NH1-OD1 2.65Å; R72-D144 PolarHBondContact NH1-OD1 3.44Å; R72-D144 IonicContact NH1-OD2 2.83Å; R72-D144 PolarHBondContact NH1-OD2 3.18Å; R72-D144 IonicContact NH2-OD1 3.63Å; R72-D144 IonicContact NH2-OD2 2.64Å; R72-D144 PolarHBondContact NH2-OD2 3.36Å; R72-R152 VanDerWaalsContact CZ-CD 3.44Å; R72-R152 VanDerWaalsContact NE-CZ 3.34Å; R72-R152 VanDerWaalsContact NH1-NE 3.11Å; R72-F154 PolarHBondContact NH2-O 3.31Å
73G96Very high95.6Very high9 Ų954 Ų549%0.09327%0.266CS..THydrogen-bonded Turntrans88.5-2.6-173.700000114.6W71 L75 A76W71-G73 PolarHBondContact O-N 2.9Å; W71-G73 VanDerWaalsContact O-N 3.16Å; G73-L75 VanDerWaalsContact C-N 3.27Å; G73-L75 PolarHBondContact O-N 3.03Å; G73-A76 PolarHBondContact O-N 2.74Å
74N97.1Very high95.4Very high16 Ų1646.6 Ų46.69%0.08624%0.236CC..Hα-helixtrans-66.4-24.6-177.1-171.853.3000113.7T24 A27 W71 A76 N77 V78T24-N74 PolarHBondContact OG1-ND2 2.94Å; A27-N74 HydrophobicContact CB-CB 4.13Å; W71-N74 HydrophobicContact CB-CB 4.14Å; W71-N74 WeakPolarHBondContact O-CB 3.44Å; W71-N74 PolarHBondContact O-N 3.44Å; N74-A76 PolarHBondContact O-N 3.14Å; N74-N77 WeakPolarHBondContact O-CA 3.38Å; N74-N77 VanDerWaalsContact O-CB 3.27Å; N74-N77 WeakPolarHBondContact O-CB 3.41Å; N74-N77 PolarHBondContact O-N 2.88Å; N74-N77 PolarHBondContact OD1-ND2 2.99Å; N74-V78 PolarHBondContact O-N 3.33Å
75L96.8Very high95.2Very high107 Ų10746.8 Ų46.856%0.5624%0.237SC*.Hα-helixtrans-54.4-39176.4-178.560.9000112.1G73 N77 V78 I79 L157G73-L75 VanDerWaalsContact C-N 3.27Å; G73-L75 PolarHBondContact O-N 3.03Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.47Å; L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CD1-CG1 4.27Å; L75-I79 HydrophobicContact CD2-CD1 4.39Å; L75-I79 HydrophobicContact CG-CD1 3.8Å; L75-I79 HydrophobicContact CG-CG1 4.46Å; L75-I79 WeakPolarHBondContact O-CG1 3.44Å; L75-I79 PolarHBondContact O-N 3.11Å; L75-L157 HydrophobicContact CD2-CB 4.29Å; L75-L157 HydrophobicContact CD2-CD2 4.22Å; L75-L157 HydrophobicContact CG-CD2 4.2Å
76A96.4Very high95.1Very high2 Ų248.4 Ų48.42%0.01725%0.253CS..Hα-helixtrans-64.5-34.117600000112.7G73 N74 V78 R80 L134 R138 L157G73-A76 PolarHBondContact O-N 2.74Å; N74-A76 PolarHBondContact O-N 3.14Å; A76-V78 VanDerWaalsContact C-N 3.35Å; A76-R80 WeakPolarHBondContact O-CB 3.38Å; A76-R80 PolarHBondContact O-N 2.83Å; A76-L134 HydrophobicContact CB-CB 4.4Å; A76-L134 WeakPolarHBondContact CB-O 3.25Å; A76-R138 HydrophobicContact CB-CB 3.76Å; A76-R138 HydrophobicContact CB-CG 4.38Å; A76-L157 HydrophobicContact CB-CD1 4.04Å; A76-L157 HydrophobicContact CB-CD2 4.34Å
77N93.1Very high95.1Very high6 Ų647.9 Ų47.93%0.03224%0.242CC..Hα-helixtrans-62.2-43.5175.3-88.7-31.2000111.9K23 E30 N74 L75 R138K23-N77 HydrophobicContact CB-CB 3.96Å; K23-N77 HydrophobicContact CG-CB 4.3Å; E30-N77 PolarHBondContact OE2-ND2 3.39Å; N74-N77 WeakPolarHBondContact O-CA 3.38Å; N74-N77 VanDerWaalsContact O-CB 3.27Å; N74-N77 WeakPolarHBondContact O-CB 3.41Å; N74-N77 PolarHBondContact O-N 2.88Å; N74-N77 PolarHBondContact OD1-ND2 2.99Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.35Å; N77-R138 PolarHBondContact ND2-NE 2.83Å; N77-R138 VanDerWaalsContact OD1-CD 3.26Å; N77-R138 WeakPolarHBondContact OD1-CD 3.36Å; N77-R138 PolarHBondContact OD1-NE 3.35Å
78V95.2Very high94.7Very high39 Ų3943.6 Ų43.624%0.23623%0.225CC..Hα-helixtrans-68.2-49.6-178.6176.50000110.3A20 N74 L75 A76 R80A20-V78 HydrophobicContact CB-CB 4.43Å; A20-V78 HydrophobicContact CB-CG1 3.8Å; A20-V78 HydrophobicContact CB-CG2 4.12Å; N74-V78 PolarHBondContact O-N 3.33Å; L75-V78 PolarHBondContact O-N 3.47Å; A76-V78 VanDerWaalsContact C-N 3.35Å; V78-R80 PolarHBondContact O-N 3.36Å
79I96Very high94.4Very high69 Ų6942.4 Ų42.435%0.35421%0.214SC..Hα-helixtrans-62.2-43.3-179.3-67.5171.6000111.2L75 Y81 F82 P83 L134 L157L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CD1-CG1 4.27Å; L75-I79 HydrophobicContact CD2-CD1 4.39Å; L75-I79 HydrophobicContact CG-CD1 3.8Å; L75-I79 HydrophobicContact CG-CG1 4.46Å; L75-I79 WeakPolarHBondContact O-CG1 3.44Å; L75-I79 PolarHBondContact O-N 3.11Å; I79-Y81 PolarHBondContact O-N 3.34Å; I79-F82 PolarHBondContact O-N 3.1Å; I79-P83 WeakPolarHBondContact O-CD 3.36Å; I79-L134 HydrophobicContact CG2-CD1 3.98Å; I79-L134 HydrophobicContact CG2-CD2 4.44Å; I79-L157 HydrophobicContact CD1-CD2 3.77Å
80R94.5Very high94.2Very high60 Ų6044.8 Ų44.823%0.22623%0.234CC..Hα-helixtrans-57.6-27-171-173.4-176.369.876.27113.8A76 V78 P83 T84 V131 L134 D135A76-R80 WeakPolarHBondContact O-CB 3.38Å; A76-R80 PolarHBondContact O-N 2.83Å; V78-R80 PolarHBondContact O-N 3.36Å; R80-P83 WeakPolarHBondContact O-CD 3.27Å; R80-T84 VanDerWaalsContact O-CB 3.23Å; R80-T84 WeakPolarHBondContact O-CB 3.33Å; R80-T84 PolarHBondContact O-N 2.97Å; R80-T84 PolarHBondContact O-OG1 2.91Å; R80-V131 HydrophobicContact CG-CB 4.22Å; R80-V131 HydrophobicContact CG-CG2 4.19Å; R80-L134 HydrophobicContact CB-CD1 4.05Å; R80-L134 HydrophobicContact CG-CD1 4.43Å; R80-D135 WeakPolarHBondContact CD-OD1 3.5Å; R80-D135 IonicContact NE-OD1 3.88Å
81Y92Very high94Very high46 Ų4647.6 Ų47.618%0.1825%0.246CC..Hα-helixtrans-56.2-54.9179.5177.8-88.1000111.7G15 A19 I79 T84 Q85G15-Y81 VanDerWaalsContact CA-OH 3.28Å; G15-Y81 WeakPolarHBondContact CA-OH 3.46Å; G15-Y81 WeakPolarHBondContact O-CE2 3.47Å; A19-Y81 HydrophobicContact CB-CD2 3.27Å; A19-Y81 HydrophobicContact CB-CE2 3.69Å; A19-Y81 HydrophobicContact CB-CG 3.9Å; I79-Y81 PolarHBondContact O-N 3.34Å; Y81-T84 PolarHBondContact O-N 3.13Å; Y81-Q85 HydrophobicContact CD1-CG 3.95Å; Y81-Q85 HydrophobicContact CD2-CG 4.13Å; Y81-Q85 HydrophobicContact CE1-CB 4.35Å; Y81-Q85 HydrophobicContact CE1-CG 3.51Å; Y81-Q85 HydrophobicContact CE2-CG 3.74Å; Y81-Q85 HydrophobicContact CG-CG 4.25Å; Y81-Q85 VanDerWaalsContact CZ-CG 3.41Å; Y81-Q85 WeakPolarHBondContact O-CG 3.27Å; Y81-Q85 PolarHBondContact O-N 3.43Å
82F93.4Very high93.5Very high70 Ų7048.1 Ų48.131%0.30725%0.251SS..Hα-helixtrans-59.1-53.8-172.5-60.4-73.6000114.1F12 L13 I79 T84 Q85 A86F12-F82 HydrophobicContact CD1-CD1 4.25Å; F12-F82 AromaticContact CE1-CD1 3.5Å; F12-F82 HydrophobicContact CE1-CD1 3.5Å; F12-F82 HydrophobicContact CE1-CE1 4.21Å; F12-F82 HydrophobicContact CE1-CG 4.48Å; F12-F82 HydrophobicContact CZ-CB 4.08Å; F12-F82 AromaticContact CZ-CD1 3.72Å; F12-F82 HydrophobicContact CZ-CD1 3.72Å; F12-F82 HydrophobicContact CZ-CG 4.41Å; L13-F82 HydrophobicContact CD2-CE1 4.3Å; I79-F82 PolarHBondContact O-N 3.1Å; F82-T84 VanDerWaalsContact C-N 3.32Å; F82-T84 PolarHBondContact O-N 3.28Å; F82-Q85 PolarHBondContact O-N 3.45Å; F82-A86 PolarHBondContact O-N 3.23Å
83P95Very high93.2Very high45 Ų4552 Ų5229%0.29227%0.273SS..Hα-helixtrans-66.8-34.2177.927.6-33.2000111.7I79 R80 Q85 A86 L87 V131 L134I79-P83 WeakPolarHBondContact O-CD 3.36Å; R80-P83 WeakPolarHBondContact O-CD 3.27Å; P83-Q85 PolarHBondContact O-N 2.93Å; P83-A86 PolarHBondContact O-N 3.4Å; P83-L87 WeakPolarHBondContact O-CB 3.22Å; P83-L87 WeakPolarHBondContact O-CD1 3.45Å; P83-L87 WeakPolarHBondContact O-CG 3.47Å; P83-L87 PolarHBondContact O-N 2.97Å; P83-V131 HydrophobicContact CB-CG1 3.89Å; P83-V131 HydrophobicContact CG-CG1 3.83Å; P83-L134 HydrophobicContact CG-CD1 4.43Å
84T92.6Very high93.1Very high19 Ų1958.4 Ų58.412%0.11730%0.298CS..Hα-helixtrans-63.7-43.3176.3-56.80000111.1R80 Y81 F82 L87 N88R80-T84 VanDerWaalsContact O-CB 3.23Å; R80-T84 WeakPolarHBondContact O-CB 3.33Å; R80-T84 PolarHBondContact O-N 2.97Å; R80-T84 PolarHBondContact O-OG1 2.91Å; Y81-T84 PolarHBondContact O-N 3.13Å; F82-T84 VanDerWaalsContact C-N 3.32Å; F82-T84 PolarHBondContact O-N 3.28Å; T84-L87 PolarHBondContact O-N 3.22Å; T84-N88 WeakPolarHBondContact O-CB 3.44Å; T84-N88 VanDerWaalsContact O-CG 3.26Å; T84-N88 PolarHBondContact O-N 3.01Å; T84-N88 PolarHBondContact O-ND2 3.29Å
85Q90.9Very high93Very high52 Ų5260 Ų6024%0.24330%0.303CS..Hα-helixtrans-68.2-43.3178-69.2-52.3-14.100111.8F12 Y81 F82 P83 L87 N88 F89F12-Q85 HydrophobicContact CD2-CB 4.2Å; F12-Q85 HydrophobicContact CE2-CB 3.65Å; Y81-Q85 HydrophobicContact CD1-CG 3.95Å; Y81-Q85 HydrophobicContact CD2-CG 4.13Å; Y81-Q85 HydrophobicContact CE1-CB 4.35Å; Y81-Q85 HydrophobicContact CE1-CG 3.51Å; Y81-Q85 HydrophobicContact CE2-CG 3.74Å; Y81-Q85 HydrophobicContact CG-CG 4.25Å; Y81-Q85 VanDerWaalsContact CZ-CG 3.41Å; Y81-Q85 WeakPolarHBondContact O-CG 3.27Å; Y81-Q85 PolarHBondContact O-N 3.43Å; F82-Q85 PolarHBondContact O-N 3.45Å; P83-Q85 PolarHBondContact O-N 2.93Å; Q85-L87 VanDerWaalsContact C-N 3.29Å; Q85-L87 PolarHBondContact O-N 3.38Å; Q85-N88 WeakPolarHBondContact O-CB 3.28Å; Q85-N88 PolarHBondContact O-N 3.11Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; Q85-F89 HydrophobicContact CB-CD2 4.38Å; Q85-F89 HydrophobicContact CB-CE2 4.17Å; Q85-F89 WeakPolarHBondContact O-CD2 3.49Å; Q85-F89 PolarHBondContact O-N 3.11Å
86A92.7Very high92.8Very high51 Ų5159 Ų5942%0.42129%0.294SS..Hα-helixtrans-55.4-44.7174.700000111.9F82 P83 F89 A90F82-A86 PolarHBondContact O-N 3.23Å; P83-A86 PolarHBondContact O-N 3.4Å; A86-F89 PolarHBondContact O-N 2.59Å; A86-A90 PolarHBondContact O-N 3.32Å
87L93.6Very high92.7Very high23 Ų2365.3 Ų65.312%0.1232%0.323CS..Hα-helixtrans-67-39.1176.1-67.9164.2000112.3P83 T84 Q85 A90 F91 F130 V131P83-L87 WeakPolarHBondContact O-CB 3.22Å; P83-L87 WeakPolarHBondContact O-CD1 3.45Å; P83-L87 WeakPolarHBondContact O-CG 3.47Å; P83-L87 PolarHBondContact O-N 2.97Å; T84-L87 PolarHBondContact O-N 3.22Å; Q85-L87 VanDerWaalsContact C-N 3.29Å; Q85-L87 PolarHBondContact O-N 3.38Å; L87-A90 PolarHBondContact O-N 2.78Å; L87-F91 HydrophobicContact CB-CD2 4.5Å; L87-F91 HydrophobicContact CD2-CD2 4.2Å; L87-F91 HydrophobicContact CD2-CE2 3.83Å; L87-F91 WeakPolarHBondContact O-CB 3.1Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 3.14Å; L87-F130 HydrophobicContact CD1-CB 3.75Å; L87-F130 HydrophobicContact CD1-CD2 3.76Å; L87-F130 HydrophobicContact CD1-CG 4.01Å; L87-F130 HydrophobicContact CD2-CD2 3.7Å; L87-F130 HydrophobicContact CD2-CE2 3.91Å; L87-F130 HydrophobicContact CD2-CG 4.3Å; L87-F130 HydrophobicContact CG-CD2 4.41Å; L87-V131 HydrophobicContact CD1-CG1 4.18Å
88N89.4Confident92.8Very high38 Ų3870.7 Ų70.720%0.20335%0.352CS..Hα-helixtrans-62-44.5174.2-77.3-33.2000111.5T84 Q85 A90 F91 K92T84-N88 WeakPolarHBondContact O-CB 3.44Å; T84-N88 VanDerWaalsContact O-CG 3.26Å; T84-N88 PolarHBondContact O-N 3.01Å; T84-N88 PolarHBondContact O-ND2 3.29Å; Q85-N88 WeakPolarHBondContact O-CB 3.28Å; Q85-N88 PolarHBondContact O-N 3.11Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; N88-A90 VanDerWaalsContact C-N 3.29Å; N88-A90 PolarHBondContact O-N 3.05Å; N88-F91 PolarHBondContact O-N 3.4Å; N88-K92 WeakPolarHBondContact O-CB 3.23Å; N88-K92 PolarHBondContact O-N 3.2Å
89F89.3Confident92.8Very high116 Ų11671.7 Ų71.751%0.50935%0.353SS..Hα-helixtrans-60.6-39.6176.1-76-63.8000111.7F8 F12 Q85 A86F8-F89 AromaticContact CE2-CD1 3.94Å; F8-F89 HydrophobicContact CE2-CD1 3.94Å; F8-F89 HydrophobicContact CE2-CD2 4.2Å; F8-F89 AromaticContact CE2-CE1 3.6Å; F8-F89 HydrophobicContact CE2-CE1 3.6Å; F8-F89 AromaticContact CE2-CE2 3.9Å; F8-F89 HydrophobicContact CE2-CE2 3.9Å; F8-F89 HydrophobicContact CE2-CG 4.25Å; F8-F89 AromaticContact CE2-CZ 3.58Å; F8-F89 HydrophobicContact CE2-CZ 3.58Å; F8-F89 HydrophobicContact CZ-CD1 4.27Å; F8-F89 AromaticContact CZ-CD2 3.83Å; F8-F89 HydrophobicContact CZ-CD2 3.83Å; F8-F89 HydrophobicContact CZ-CE1 4.21Å; F8-F89 AromaticContact CZ-CE2 3.77Å; F8-F89 HydrophobicContact CZ-CE2 3.77Å; F8-F89 HydrophobicContact CZ-CG 4.11Å; F8-F89 AromaticContact CZ-CZ 3.97Å; F8-F89 HydrophobicContact CZ-CZ 3.97Å; F12-F89 HydrophobicContact CD2-CE2 4.05Å; Q85-F89 HydrophobicContact CB-CD2 4.38Å; Q85-F89 HydrophobicContact CB-CE2 4.17Å; Q85-F89 WeakPolarHBondContact O-CD2 3.49Å; Q85-F89 PolarHBondContact O-N 3.11Å; A86-F89 PolarHBondContact O-N 2.59Å
90A92.7Very high92.7Very high56 Ų5669.8 Ų69.846%0.46334%0.343SS..Hα-helixtrans-70.6-41.1179.100000113.8A86 L87 N88A86-A90 PolarHBondContact O-N 3.32Å; L87-A90 PolarHBondContact O-N 2.78Å; N88-A90 VanDerWaalsContact C-N 3.29Å; N88-A90 PolarHBondContact O-N 3.05Å
91F92.9Very high92.6Very high77 Ų7769.2 Ų69.234%0.33836%0.356SS..Hα-helixtrans-116.4-25.2-164.3-64.7-71.8000115.7L87 N88 D93 K94 Y95 T126L87-F91 HydrophobicContact CB-CD2 4.5Å; L87-F91 HydrophobicContact CD2-CD2 4.2Å; L87-F91 HydrophobicContact CD2-CE2 3.83Å; L87-F91 WeakPolarHBondContact O-CB 3.1Å; L87-F91 VanDerWaalsContact O-CD2 3.3Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 3.14Å; N88-F91 PolarHBondContact O-N 3.4Å; F91-D93 PolarHBondContact O-N 3.32Å; F91-K94 PolarHBondContact O-N 2.95Å; F91-Y95 HydrophobicContact CB-CD2 3.99Å; F91-Y95 HydrophobicContact CB-CE2 3.76Å; F91-Y95 HydrophobicContact CG-CE2 4.41Å; F91-Y95 VanDerWaalsContact O-CD2 3.25Å; F91-Y95 WeakPolarHBondContact O-CD2 2.96Å; F91-Y95 PolarHBondContact O-N 2.93Å; F91-T126 HydrophobicContact CD1-CG2 4.46Å; F91-T126 HydrophobicContact CD2-CG2 3.78Å; F91-T126 HydrophobicContact CE2-CG2 4Å; F91-T126 HydrophobicContact CG-CG2 4.04Å; F91-T126 HydrophobicContact CZ-CG2 4.44Å
92K87.8Confident92.7Very high91 Ų9171.1 Ų71.140%0.39639%0.39SS..Hα-helixtrans-60.7-46.5-169.4-175.5-179.6179-175.60112.2N88 Y95 K96N88-K92 WeakPolarHBondContact O-CB 3.23Å; N88-K92 PolarHBondContact O-N 3.2Å; K92-Y95 PolarHBondContact O-N 3.29Å; K92-K96 WeakPolarHBondContact O-CG 3.15Å; K92-K96 PolarHBondContact O-N 3.42Å
93D89.7Confident92.6Very high101 Ų10168.8 Ų68.854%0.5438%0.381SS..Hα-helixtrans-75.5-31-178.4-66.3-30.2000112.3F91 K96 Q97F91-D93 PolarHBondContact O-N 3.32Å; D93-K96 PolarHBondContact O-N 2.92Å; D93-K96 IonicContact OD1-NZ 2.69Å; D93-K96 PolarHBondContact OD1-NZ 3.28Å; D93-Q97 WeakPolarHBondContact O-CB 3.18Å; D93-Q97 PolarHBondContact O-N 3.18Å
94K94.6Very high92.3Very high142 Ų14269.4 Ų69.462%0.61738%0.382SS*.Hα-helixtrans-60.2-46.2170.2-64.2-62.6-176.4-177.50111.5F91 Q97 L98F91-K94 PolarHBondContact O-N 2.95Å; K94-Q97 PolarHBondContact O-N 3.37Å; K94-L98 VanDerWaalsContact O-CB 3.3Å; K94-L98 WeakPolarHBondContact O-CB 3.32Å; K94-L98 PolarHBondContact O-N 2.91Å
95Y94.7Very high92.1Very high50 Ų5074.5 Ų74.520%0.19640%0.399CS..Hα-helixtrans-67.7-39.1175.7-72.9-50.8000112.7F91 K92 L98 F99 A122 A123 T126F91-Y95 HydrophobicContact CB-CD2 3.99Å; F91-Y95 HydrophobicContact CB-CE2 3.76Å; F91-Y95 HydrophobicContact CG-CE2 4.41Å; F91-Y95 VanDerWaalsContact O-CD2 3.25Å; F91-Y95 WeakPolarHBondContact O-CD2 2.96Å; F91-Y95 PolarHBondContact O-N 2.93Å; K92-Y95 PolarHBondContact O-N 3.29Å; Y95-L98 HydrophobicContact CD1-CD2 4.39Å; Y95-L98 PolarHBondContact O-N 3.1Å; Y95-F99 HydrophobicContact CD1-CD2 4.39Å; Y95-F99 AromaticContact CD1-CE2 3.73Å; Y95-F99 HydrophobicContact CD1-CE2 3.73Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 WeakPolarHBondContact O-CD2 3.42Å; Y95-F99 PolarHBondContact O-N 2.86Å; Y95-A122 HydrophobicContact CD1-CB 3.71Å; Y95-A122 HydrophobicContact CD2-CB 4.15Å; Y95-A122 HydrophobicContact CE1-CB 3.76Å; Y95-A122 HydrophobicContact CE2-CB 4.17Å; Y95-A122 HydrophobicContact CG-CB 3.93Å; Y95-A123 HydrophobicContact CD2-CB 3.91Å; Y95-T126 WeakPolarHBondContact CE2-OG1 3.42Å; Y95-T126 PolarHBondContact OH-OG1 2.87Å
96K92.2Very high91.9Very high86 Ų8680.2 Ų80.237%0.37443%0.426SS..Hα-helixtrans-59.5-47.8172.9-76.6177.5179.7172.60111.3K92 D93 L98 F99 L100 S119K92-K96 WeakPolarHBondContact O-CG 3.15Å; K92-K96 PolarHBondContact O-N 3.42Å; D93-K96 PolarHBondContact O-N 2.92Å; D93-K96 IonicContact OD1-NZ 2.69Å; D93-K96 PolarHBondContact OD1-NZ 3.28Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 2.83Å; K96-F99 PolarHBondContact O-N 3.46Å; K96-L100 VanDerWaalsContact O-CA 3.32Å; K96-L100 WeakPolarHBondContact O-CA 3.3Å; K96-L100 WeakPolarHBondContact O-CB 3.5Å; K96-L100 PolarHBondContact O-N 2.83Å; K96-S119 WeakPolarHBondContact CA-OG 3.42Å; K96-S119 WeakPolarHBondContact CG-OG 3.35Å; K96-S119 PolarHBondContact N-OG 3.26Å
97Q94.6Very high91.8Very high134 Ų13486.1 Ų86.163%0.62644%0.442SS*.Hα-helixtrans-61.9-43.4178.1-171.8179.314.400111.4D93 K94 F99 G101D93-Q97 WeakPolarHBondContact O-CB 3.18Å; D93-Q97 PolarHBondContact O-N 3.18Å; K94-Q97 PolarHBondContact O-N 3.37Å; Q97-F99 PolarHBondContact O-N 2.89Å; Q97-G101 WeakPolarHBondContact O-CA 3.11Å; Q97-G101 PolarHBondContact O-N 3.22Å
98L95.9Very high91.6Very high120 Ų12089.2 Ų89.263%0.62846%0.456SS*.Hα-helixtrans-61.5-43.9179.1-176.865.1000112.6K94 Y95 K96K94-L98 VanDerWaalsContact O-CB 3.3Å; K94-L98 WeakPolarHBondContact O-CB 3.32Å; K94-L98 PolarHBondContact O-N 2.91Å; Y95-L98 HydrophobicContact CD1-CD2 4.39Å; Y95-L98 PolarHBondContact O-N 3.1Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 2.83Å
99F94.8Very high91.6Very high60 Ų6092.1 Ų92.126%0.26347%0.466SS..Hα-helixtrans-97.8-22.1-173.4-64.8-66.5000114.5Y95 K96 Q97 R111 G115 A118 S119 A122Y95-F99 HydrophobicContact CD1-CD2 4.39Å; Y95-F99 AromaticContact CD1-CE2 3.73Å; Y95-F99 HydrophobicContact CD1-CE2 3.73Å; Y95-F99 HydrophobicContact CG-CE2 4.4Å; Y95-F99 WeakPolarHBondContact O-CD2 3.42Å; Y95-F99 PolarHBondContact O-N 2.86Å; K96-F99 PolarHBondContact O-N 3.46Å; Q97-F99 PolarHBondContact O-N 2.89Å; F99-R111 VanDerWaalsContact O-CZ 3.32Å; F99-R111 PolarHBondContact O-NH1 3.05Å; F99-R111 PolarHBondContact O-NH2 3.38Å; F99-G115 VanDerWaalsContact CB-O 3.32Å; F99-G115 WeakPolarHBondContact CB-O 3.29Å; F99-A118 HydrophobicContact CB-CB 4.39Å; F99-A118 HydrophobicContact CD1-CB 3.67Å; F99-A118 HydrophobicContact CD2-CB 4.21Å; F99-A118 HydrophobicContact CE1-CB 3.9Å; F99-A118 HydrophobicContact CE2-CB 4.41Å; F99-A118 HydrophobicContact CG-CB 3.84Å; F99-A118 HydrophobicContact CZ-CB 4.27Å; F99-S119 VanDerWaalsContact CD2-CA 3.48Å; F99-A122 HydrophobicContact CE2-CB 3.81Å; F99-A122 HydrophobicContact CZ-CB 4.38Å
100L94Very high91.7Very high28 Ų2895.6 Ų95.615%0.14748%0.476CS..Hα-helixtrans-120.4-4.2-177.2-62.2171.2000113.6K96 G102 V103 Y112 N116K96-L100 VanDerWaalsContact O-CA 3.32Å; K96-L100 WeakPolarHBondContact O-CA 3.3Å; K96-L100 WeakPolarHBondContact O-CB 3.5Å; K96-L100 PolarHBondContact O-N 2.83Å; L100-G102 PolarHBondContact O-N 2.95Å; L100-V103 PolarHBondContact O-N 2.63Å; L100-V103 VanDerWaalsContact O-N 3.1Å; L100-Y112 HydrophobicContact CD1-CE2 4.35Å; L100-Y112 HydrophobicContact CD2-CD2 3.81Å; L100-Y112 HydrophobicContact CD2-CE2 4.07Å; L100-Y112 HydrophobicContact CD2-CG 4.25Å; L100-Y112 WeakPolarHBondContact CD2-O 3.41Å; L100-N116 HydrophobicContact CD1-CB 4.28Å; L100-N116 HydrophobicContact CD2-CB 4.37Å
101G92.9Very high91.7Very high48 Ų4898.2 Ų98.250%0.49547%0.474SS..THydrogen-bonded Turntrans-56.2125.7175.300000111.1Q97 V103Q97-G101 WeakPolarHBondContact O-CA 3.11Å; Q97-G101 PolarHBondContact O-N 3.22Å; G101-V103 VanDerWaalsContact C-N 3.27Å; G101-V103 PolarHBondContact O-N 3.26Å
102G92.3Very high91.6Very high86 Ų8697.4 Ų97.489%0.88747%0.469SS*.THydrogen-bonded Turntrans75.33.9-179.800000115.8L100L100-G102 PolarHBondContact O-N 2.95Å
103V91.6Very high91.8Very high21 Ų2195 Ų9513%0.12746%0.459CS..  trans-89119.1179.7-177.10000110.5L100 G101 R105 Q108 R111 Y112L100-V103 PolarHBondContact O-N 2.63Å; L100-V103 VanDerWaalsContact O-N 3.1Å; G101-V103 VanDerWaalsContact C-N 3.27Å; G101-V103 PolarHBondContact O-N 3.26Å; V103-R105 PolarHBondContact O-N 2.78Å; V103-Q108 HydrophobicContact CG1-CB 4.21Å; V103-R111 HydrophobicContact CG1-CB 4.29Å; V103-R111 HydrophobicContact CG1-CG 3.84Å; V103-R111 HydrophobicContact CG2-CG 3.96Å; V103-Y112 HydrophobicContact CG1-CD2 4.27Å
104D90.1Very high92Very high58 Ų5892.8 Ų92.831%0.3145%0.454SS..  trans-79.7113.8172.5-175.1-32.8000109.7H106 K107 Q108D104-H106 VanDerWaalsContact C-N 3.25Å; D104-H106 PolarHBondContact O-N 3.33Å; D104-H106 WeakPolarHBondContact OD1-CB 3.28Å; D104-H106 PolarHBondContact OD1-N 3.19Å; D104-K107 HydrophobicContact CB-CB 4.14Å; D104-K107 HydrophobicContact CB-CG 4.45Å; D104-K107 PolarHBondContact O-N 3.41Å; D104-K107 PolarHBondContact OD1-N 3.13Å; D104-K107 WeakPolarHBondContact OD2-CD 3.3Å; D104-Q108 WeakPolarHBondContact O-CA 3.47Å; D104-Q108 WeakPolarHBondContact O-CB 3.25Å; D104-Q108 PolarHBondContact O-N 2.99Å
105R87.4Confident92Very high127 Ų12786.1 Ų86.148%0.47943%0.427SS..THydrogen-bonded Turntrans-58.5-34.8-179.5-178.8-179.4176.9-172.60.1113.1V103 Y112 D196V103-R105 PolarHBondContact O-N 2.78Å; R105-Y112 HydrophobicContact CB-CD2 3.82Å; R105-Y112 HydrophobicContact CB-CE2 3.98Å; R105-Y112 HydrophobicContact CB-CG 4.14Å; R105-Y112 HydrophobicContact CG-CD1 3.98Å; R105-Y112 HydrophobicContact CG-CD2 4.11Å; R105-Y112 HydrophobicContact CG-CE1 4.05Å; R105-Y112 HydrophobicContact CG-CE2 4.18Å; R105-Y112 HydrophobicContact CG-CG 4.02Å; R105-D196 IonicContact NH2-OD1 3.62Å
106H85.7Confident91.8Very high172 Ų17284.5 Ų84.580%0.79642%0.421SS*.THydrogen-bonded Turntrans-83.5-33.2-174.5-65.5-76.9000112D104D104-H106 VanDerWaalsContact C-N 3.25Å; D104-H106 PolarHBondContact O-N 3.33Å; D104-H106 WeakPolarHBondContact OD1-CB 3.28Å; D104-H106 PolarHBondContact OD1-N 3.19Å
107K90.9Very high91.8Very high175 Ų17581.6 Ų81.676%0.76141%0.41SS*.THydrogen-bonded Turntrans-90.1-25.3179.7-61.5-179.4-174.2175.10113.5D104D104-K107 HydrophobicContact CB-CB 4.14Å; D104-K107 HydrophobicContact CB-CG 4.45Å; D104-K107 PolarHBondContact O-N 3.41Å; D104-K107 PolarHBondContact OD1-N 3.13Å; D104-K107 WeakPolarHBondContact OD2-CD 3.3Å
108Q90.2Very high91.8Very high88 Ų8877.1 Ų77.141%0.41140%0.395SS..  trans-130.255.9-168.9-52.4-179.9-62.600112.5V103 D104 W110 R111 Y112V103-Q108 HydrophobicContact CG1-CB 4.21Å; D104-Q108 WeakPolarHBondContact O-CA 3.47Å; D104-Q108 WeakPolarHBondContact O-CB 3.25Å; D104-Q108 PolarHBondContact O-N 2.99Å; Q108-W110 PolarHBondContact O-N 3.48Å; Q108-R111 HydrophobicContact CB-CB 3.99Å; Q108-R111 PolarHBondContact O-N 3.06Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.7Å
109F89.4Confident91.7Very high98 Ų9871.6 Ų71.643%0.4337%0.367SS..Hα-helixtrans-48.3-54.5-175.6178.2-96000113.8R111 Y112 F113F109-R111 PolarHBondContact O-N 3.12Å; F109-Y112 PolarHBondContact O-N 3.05Å; F109-F113 WeakPolarHBondContact O-CB 3.17Å; F109-F113 PolarHBondContact O-N 3.3Å
110W91.4Very high91.5Very high189 Ų18968.7 Ų68.772%0.71635%0.354SS*.Hα-helixtrans-66.4-35.6-177.4-70.1117.9000113.4Q108 F113 A114Q108-W110 PolarHBondContact O-N 3.48Å; W110-F113 HydrophobicContact CE3-CD1 4.25Å; W110-F113 HydrophobicContact CZ3-CD1 4.3Å; W110-F113 PolarHBondContact O-N 2.94Å; W110-A114 WeakPolarHBondContact O-CB 3.26Å; W110-A114 PolarHBondContact O-N 3.45Å
111R92.9Very high91.5Very high111 Ų11167.7 Ų67.742%0.41935%0.35SS..Hα-helixtrans-68.4-39.3175.617659.9-172.678.72.7111.3F99 V103 Q108 F109 G115F99-R111 VanDerWaalsContact O-CZ 3.32Å; F99-R111 PolarHBondContact O-NH1 3.05Å; F99-R111 PolarHBondContact O-NH2 3.38Å; V103-R111 HydrophobicContact CG1-CB 4.29Å; V103-R111 HydrophobicContact CG1-CG 3.84Å; V103-R111 HydrophobicContact CG2-CG 3.96Å; Q108-R111 HydrophobicContact CB-CB 3.99Å; Q108-R111 PolarHBondContact O-N 3.06Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; F109-R111 PolarHBondContact O-N 3.12Å; R111-G115 PolarHBondContact O-N 3.3Å
112Y91.4Very high91.6Very high61 Ų6166.5 Ų66.524%0.23934%0.336CS..Hα-helixtrans-66.2-45.6174.3-176-89.7000110.8L100 V103 R105 Q108 F109 G115 N116L100-Y112 HydrophobicContact CD1-CE2 4.35Å; L100-Y112 HydrophobicContact CD2-CD2 3.81Å; L100-Y112 HydrophobicContact CD2-CE2 4.07Å; L100-Y112 HydrophobicContact CD2-CG 4.25Å; L100-Y112 WeakPolarHBondContact CD2-O 3.41Å; V103-Y112 HydrophobicContact CG1-CD2 4.27Å; R105-Y112 HydrophobicContact CB-CD2 3.82Å; R105-Y112 HydrophobicContact CB-CE2 3.98Å; R105-Y112 HydrophobicContact CB-CG 4.14Å; R105-Y112 HydrophobicContact CG-CD1 3.98Å; R105-Y112 HydrophobicContact CG-CD2 4.11Å; R105-Y112 HydrophobicContact CG-CE1 4.05Å; R105-Y112 HydrophobicContact CG-CE2 4.18Å; R105-Y112 HydrophobicContact CG-CG 4.02Å; Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.7Å; F109-Y112 PolarHBondContact O-N 3.05Å; Y112-G115 PolarHBondContact O-N 2.99Å; Y112-N116 VanDerWaalsContact O-CB 3.25Å; Y112-N116 WeakPolarHBondContact O-CB 3.11Å; Y112-N116 PolarHBondContact O-N 3.45Å
113F91.1Very high91.6Very high40 Ų4062.5 Ų62.518%0.17530%0.295CS..Hα-helixtrans-58.1-53.4176.7-177.2-101.4000111.3F109 W110 G115 N116 L117 A189 F192F109-F113 WeakPolarHBondContact O-CB 3.17Å; F109-F113 PolarHBondContact O-N 3.3Å; W110-F113 HydrophobicContact CE3-CD1 4.25Å; W110-F113 HydrophobicContact CZ3-CD1 4.3Å; W110-F113 PolarHBondContact O-N 2.94Å; F113-G115 PolarHBondContact O-N 3.34Å; F113-N116 PolarHBondContact O-N 3.49Å; F113-L117 HydrophobicContact CD1-CD1 4Å; F113-L117 HydrophobicContact CD1-CG 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.46Å; F113-L117 VanDerWaalsContact CE1-CD1 3.46Å; F113-L117 HydrophobicContact CE1-CG 4.19Å; F113-L117 HydrophobicContact CZ-CD1 3.85Å; F113-L117 HydrophobicContact CZ-CD2 4.47Å; F113-L117 HydrophobicContact CZ-CG 4.33Å; F113-L117 WeakPolarHBondContact O-CG 3.15Å; F113-L117 PolarHBondContact O-N 3.24Å; F113-A189 HydrophobicContact CZ-CB 4.02Å; F113-F192 HydrophobicContact CD2-CB 4.45Å; F113-F192 HydrophobicContact CE2-CB 4.02Å
114A93.7Very high91.6Very high54 Ų5462.2 Ų62.245%0.44630%0.295SS..Hα-helixtrans-59.5-43.4177.200000112.4W110 N116 L117 A118W110-A114 WeakPolarHBondContact O-CB 3.26Å; W110-A114 PolarHBondContact O-N 3.45Å; A114-N116 VanDerWaalsContact C-N 3.33Å; A114-N116 PolarHBondContact O-N 2.66Å; A114-L117 PolarHBondContact O-N 3.21Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.42Å
115G93.9Very high91.9Very high3 Ų360.4 Ų60.43%0.03129%0.289CS..Hα-helixtrans-64-36.7177.600000113.1F99 R111 Y112 F113 A118 S119F99-G115 VanDerWaalsContact CB-O 3.32Å; F99-G115 WeakPolarHBondContact CB-O 3.29Å; R111-G115 PolarHBondContact O-N 3.3Å; Y112-G115 PolarHBondContact O-N 2.99Å; F113-G115 PolarHBondContact O-N 3.34Å; G115-A118 PolarHBondContact O-N 2.9Å; G115-S119 WeakPolarHBondContact O-CB 3.24Å; G115-S119 PolarHBondContact O-N 3.47Å
116N91.2Very high92.3Very high16 Ų1655.5 Ų55.59%0.08627%0.273CS..Hα-helixtrans-72.9-35.8177.8178.759.8000112L100 Y112 F113 A114 G120 F192L100-N116 HydrophobicContact CD1-CB 4.28Å; L100-N116 HydrophobicContact CD2-CB 4.37Å; Y112-N116 VanDerWaalsContact O-CB 3.25Å; Y112-N116 WeakPolarHBondContact O-CB 3.11Å; Y112-N116 PolarHBondContact O-N 3.45Å; F113-N116 PolarHBondContact O-N 3.49Å; A114-N116 VanDerWaalsContact C-N 3.33Å; A114-N116 PolarHBondContact O-N 2.66Å; N116-G120 PolarHBondContact O-N 3.32Å; N116-F192 WeakPolarHBondContact ND2-CD2 3.09Å; N116-F192 WeakPolarHBondContact ND2-CE1 3.29Å; N116-F192 WeakPolarHBondContact ND2-CE2 3.47Å; N116-F192 WeakPolarHBondContact ND2-CZ 3.49Å
117L93.4Very high92.7Very high25 Ų2547.7 Ų47.713%0.13124%0.238CC..Hα-helixtrans-64.2-46.8169.6-66.1-173000111.7F113 A114 G120 G121 R188 A189F113-L117 HydrophobicContact CD1-CD1 4Å; F113-L117 HydrophobicContact CD1-CG 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.46Å; F113-L117 VanDerWaalsContact CE1-CD1 3.46Å; F113-L117 HydrophobicContact CE1-CG 4.19Å; F113-L117 HydrophobicContact CZ-CD1 3.85Å; F113-L117 HydrophobicContact CZ-CD2 4.47Å; F113-L117 HydrophobicContact CZ-CG 4.33Å; F113-L117 WeakPolarHBondContact O-CG 3.15Å; F113-L117 PolarHBondContact O-N 3.24Å; A114-L117 PolarHBondContact O-N 3.21Å; L117-G120 PolarHBondContact O-N 3.01Å; L117-G121 PolarHBondContact O-N 3.28Å; L117-R188 HydrophobicContact CD2-CB 3.77Å; L117-A189 HydrophobicContact CD1-CB 3.97Å; L117-A189 HydrophobicContact CD2-CB 3.91Å
118A94.6Very high92.9Very high39 Ų3940 Ų4032%0.32221%0.205SC..Hα-helixtrans-63-47.3178.400000111.9F99 A114 G115 G120 G121 A122F99-A118 HydrophobicContact CB-CB 4.39Å; F99-A118 HydrophobicContact CD1-CB 3.67Å; F99-A118 HydrophobicContact CD2-CB 4.21Å; F99-A118 HydrophobicContact CE1-CB 3.9Å; F99-A118 HydrophobicContact CE2-CB 4.41Å; F99-A118 HydrophobicContact CG-CB 3.84Å; F99-A118 HydrophobicContact CZ-CB 4.27Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.42Å; G115-A118 PolarHBondContact O-N 2.9Å; A118-G120 VanDerWaalsContact C-N 3.26Å; A118-G120 PolarHBondContact O-N 3.18Å; A118-G121 PolarHBondContact O-N 3.28Å; A118-A122 VanDerWaalsContact O-CB 3.24Å; A118-A122 WeakPolarHBondContact O-CB 3.3Å; A118-A122 PolarHBondContact O-N 2.91Å
119S93Very high93.2Very high4 Ų438.8 Ų38.83%0.02821%0.206CC..Hα-helixtrans-55.9-43.9173.9176.40000111.5K96 F99 G115 A123K96-S119 WeakPolarHBondContact CA-OG 3.42Å; K96-S119 WeakPolarHBondContact CG-OG 3.35Å; K96-S119 PolarHBondContact N-OG 3.26Å; F99-S119 VanDerWaalsContact CD2-CA 3.48Å; G115-S119 WeakPolarHBondContact O-CB 3.24Å; G115-S119 PolarHBondContact O-N 3.47Å; S119-A123 VanDerWaalsContact O-CB 3.28Å; S119-A123 WeakPolarHBondContact O-CB 3.43Å; S119-A123 PolarHBondContact O-N 2.99Å
120G90.4Very high93.5Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-68.4-45178.500000116.1N116 L117 A118 G124N116-G120 PolarHBondContact O-N 3.32Å; L117-G120 PolarHBondContact O-N 3.01Å; A118-G120 VanDerWaalsContact C-N 3.26Å; A118-G120 PolarHBondContact O-N 3.18Å; G120-G124 PolarHBondContact O-N 3.45Å
121G93.4Very high93.7Very high6 Ų631.5 Ų31.56%0.06218%0.179CC..Hα-helixtrans-62.3-45.6175.900000110.9L117 A118 G124 A125L117-G121 PolarHBondContact O-N 3.28Å; A118-G121 PolarHBondContact O-N 3.28Å; G121-G124 PolarHBondContact O-N 2.96Å; G121-A125 VanDerWaalsContact O-CB 3.23Å; G121-A125 WeakPolarHBondContact O-CB 3.49Å; G121-A125 PolarHBondContact O-N 3.4Å
122A95.1Very high93.9Very high23 Ų2326.2 Ų26.219%0.1916%0.159CC..Hα-helixtrans-65.7-47.2179.100000112.6Y95 F99 A118 G124 A125 T126Y95-A122 HydrophobicContact CD1-CB 3.71Å; Y95-A122 HydrophobicContact CD2-CB 4.15Å; Y95-A122 HydrophobicContact CE1-CB 3.76Å; Y95-A122 HydrophobicContact CE2-CB 4.17Å; Y95-A122 HydrophobicContact CG-CB 3.93Å; F99-A122 HydrophobicContact CE2-CB 3.81Å; F99-A122 HydrophobicContact CZ-CB 4.38Å; A118-A122 VanDerWaalsContact O-CB 3.24Å; A118-A122 WeakPolarHBondContact O-CB 3.3Å; A118-A122 PolarHBondContact O-N 2.91Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.16Å; A122-A125 PolarHBondContact O-N 2.94Å; A122-T126 WeakPolarHBondContact O-CB 3.37Å; A122-T126 PolarHBondContact O-N 2.9Å; A122-T126 PolarHBondContact O-OG1 3Å
123A93.6Very high94.2Very high3 Ų324.2 Ų24.23%0.02515%0.154CC..Hα-helixtrans-62.7-40.8176.100000111.9Y95 S119 S127Y95-A123 HydrophobicContact CD2-CB 3.91Å; S119-A123 VanDerWaalsContact O-CB 3.28Å; S119-A123 WeakPolarHBondContact O-CB 3.43Å; S119-A123 PolarHBondContact O-N 2.99Å; A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.34Å; A123-S127 PolarHBondContact O-OG 3Å
124G91.8Very high94.5Very high14 Ų1423.5 Ų23.514%0.14415%0.152CC..Hα-helixtrans-64.5-49.2176.200000112.5G120 G121 A122 S127 L128G120-G124 PolarHBondContact O-N 3.45Å; G121-G124 PolarHBondContact O-N 2.96Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.16Å; G124-S127 PolarHBondContact O-N 3.46Å; G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 VanDerWaalsContact O-CG 3.3Å; G124-L128 WeakPolarHBondContact O-CG 3.43Å; G124-L128 PolarHBondContact O-N 2.99Å
125A95.3Very high94.7Very high21 Ų2121.6 Ų21.617%0.17413%0.134CC..Hα-helixtrans-61-45.4177.800000111.5G121 A122 S127 L128 C129 V181G121-A125 VanDerWaalsContact O-CB 3.23Å; G121-A125 WeakPolarHBondContact O-CB 3.49Å; G121-A125 PolarHBondContact O-N 3.4Å; A122-A125 PolarHBondContact O-N 2.94Å; A125-S127 PolarHBondContact O-N 2.87Å; A125-L128 CarbonylContact O-C 3.55Å; A125-L128 PolarHBondContact O-N 3.35Å; A125-C129 PolarHBondContact O-N 3.18Å; A125-C129 PolarHBondContact O-SG 3.41Å; A125-V181 HydrophobicContact CB-CG1 4.16Å; A125-V181 HydrophobicContact CB-CG2 3.92Å
126T96Very high94.9Very high23 Ų2321.5 Ų21.514%0.14113%0.132CC..Hα-helixtrans-60-46.2176.9-57.50000111.4F91 Y95 A122 L128 C129 F130F91-T126 HydrophobicContact CD1-CG2 4.46Å; F91-T126 HydrophobicContact CD2-CG2 3.78Å; F91-T126 HydrophobicContact CE2-CG2 4Å; F91-T126 HydrophobicContact CG-CG2 4.04Å; F91-T126 HydrophobicContact CZ-CG2 4.44Å; Y95-T126 WeakPolarHBondContact CE2-OG1 3.42Å; Y95-T126 PolarHBondContact OH-OG1 2.87Å; A122-T126 WeakPolarHBondContact O-CB 3.37Å; A122-T126 PolarHBondContact O-N 2.9Å; A122-T126 PolarHBondContact O-OG1 3Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 3.27Å; T126-C129 WeakPolarHBondContact O-CB 3.22Å; T126-C129 PolarHBondContact O-N 3.37Å; T126-F130 VanDerWaalsContact O-CD2 3.29Å; T126-F130 WeakPolarHBondContact O-CD2 3.42Å
127S94.3Very high95.2Very high9 Ų920.7 Ų20.76%0.06313%0.128CC..Hα-helixtrans-59.2-46.6175.9-60.70000111A123 G124 A125 C129 F130 V131A123-S127 WeakPolarHBondContact O-CB 3.41Å; A123-S127 PolarHBondContact O-N 3.34Å; A123-S127 PolarHBondContact O-OG 3Å; G124-S127 PolarHBondContact O-N 3.46Å; A125-S127 PolarHBondContact O-N 2.87Å; S127-C129 VanDerWaalsContact C-N 3.29Å; S127-C129 PolarHBondContact O-N 2.81Å; S127-F130 PolarHBondContact O-N 2.92Å; S127-F130 VanDerWaalsContact O-N 3.13Å; S127-V131 WeakPolarHBondContact O-CG2 3.49Å; S127-V131 PolarHBondContact O-N 3.28Å
128L94.7Very high95.4Very high13 Ų1320.2 Ų20.27%0.06813%0.125CC..Hα-helixtrans-63.3-31.3178.2-71.4-178.1000112.5G124 A125 T126 F130 V131 Y132 F177 S180 I184G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 VanDerWaalsContact O-CG 3.3Å; G124-L128 WeakPolarHBondContact O-CG 3.43Å; G124-L128 PolarHBondContact O-N 2.99Å; A125-L128 CarbonylContact O-C 3.55Å; A125-L128 PolarHBondContact O-N 3.35Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 3.27Å; L128-F130 PolarHBondContact O-N 2.9Å; L128-V131 HydrophobicContact CD2-CG2 4.29Å; L128-V131 PolarHBondContact O-N 2.84Å; L128-Y132 HydrophobicContact CB-CD2 4.15Å; L128-Y132 HydrophobicContact CD1-CD2 4.19Å; L128-Y132 HydrophobicContact CD2-CD2 3.98Å; L128-Y132 HydrophobicContact CG-CD2 4.33Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.38Å; L128-F177 HydrophobicContact CB-CD2 4.31Å; L128-F177 HydrophobicContact CB-CE2 3.58Å; L128-F177 HydrophobicContact CB-CZ 4.31Å; L128-S180 WeakPolarHBondContact CD1-OG 3.31Å; L128-I184 HydrophobicContact CD1-CD1 3.63Å; L128-I184 HydrophobicContact CG-CD1 4.46Å
129C95.8Very high95.5Very high63 Ų6318.3 Ų18.343%0.42611%0.109SC..Hα-helixtrans-52.7-28.3174.3-69.50000112.6A125 T126 S127 Y174A125-C129 PolarHBondContact O-N 3.18Å; A125-C129 PolarHBondContact O-SG 3.41Å; T126-C129 WeakPolarHBondContact O-CB 3.22Å; T126-C129 PolarHBondContact O-N 3.37Å; S127-C129 VanDerWaalsContact C-N 3.29Å; S127-C129 PolarHBondContact O-N 2.81Å; C129-Y174 WeakPolarHBondContact O-CE1 3.45Å; C129-Y174 PolarHBondContact O-OH 3.31Å
130F96.1Very high95.8Very high131 Ų13118.2 Ų18.258%0.57511%0.108SC*.Hα-helixtrans-103.5-42178.2-60.1-86.8000113.3L87 T126 S127 L128L87-F130 HydrophobicContact CD1-CB 3.75Å; L87-F130 HydrophobicContact CD1-CD2 3.76Å; L87-F130 HydrophobicContact CD1-CG 4.01Å; L87-F130 HydrophobicContact CD2-CD2 3.7Å; L87-F130 HydrophobicContact CD2-CE2 3.91Å; L87-F130 HydrophobicContact CD2-CG 4.3Å; L87-F130 HydrophobicContact CG-CD2 4.41Å; T126-F130 VanDerWaalsContact O-CD2 3.29Å; T126-F130 WeakPolarHBondContact O-CD2 3.42Å; S127-F130 PolarHBondContact O-N 2.92Å; S127-F130 VanDerWaalsContact O-N 3.13Å; L128-F130 PolarHBondContact O-N 2.9Å
131V96.3Very high96.1Very high3 Ų318.6 Ų18.62%0.01811%0.11CC..Hα-helixtrans-96.9-4.2-170.2-49.20000114.2R80 P83 L87 S127 L128 P133 L134 D135R80-V131 HydrophobicContact CG-CB 4.22Å; R80-V131 HydrophobicContact CG-CG2 4.19Å; P83-V131 HydrophobicContact CB-CG1 3.89Å; P83-V131 HydrophobicContact CG-CG1 3.83Å; L87-V131 HydrophobicContact CD1-CG1 4.18Å; S127-V131 WeakPolarHBondContact O-CG2 3.49Å; S127-V131 PolarHBondContact O-N 3.28Å; L128-V131 HydrophobicContact CD2-CG2 4.29Å; L128-V131 PolarHBondContact O-N 2.84Å; V131-P133 VanDerWaalsContact C-CD 3.48Å; V131-L134 HydrophobicContact CB-CD1 4.41Å; V131-L134 WeakPolarHBondContact O-CB 3.4Å; V131-L134 PolarHBondContact O-N 2.86Å; V131-D135 PolarHBondContact O-N 3.42Å
132Y97.3Very high96.3Very high0 Ų018.3 Ų18.30%011%0.108CC..Hα-helixtrans-58.6-37.6-180-160.5-82.2000114L128 L134 D135 F136 L173 Y174 Q175 G176 F177 S180 R235 M239L128-Y132 HydrophobicContact CB-CD2 4.15Å; L128-Y132 HydrophobicContact CD1-CD2 4.19Å; L128-Y132 HydrophobicContact CD2-CD2 3.98Å; L128-Y132 HydrophobicContact CG-CD2 4.33Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.38Å; Y132-L134 PolarHBondContact O-N 2.8Å; Y132-D135 WeakPolarHBondContact O-CB 3.48Å; Y132-D135 PolarHBondContact O-N 2.94Å; Y132-F136 HydrophobicContact CD1-CB 4.49Å; Y132-F136 WeakPolarHBondContact O-CB 3.29Å; Y132-F136 PolarHBondContact O-N 2.99Å; Y132-L173 VanDerWaalsContact CD1-O 3.3Å; Y132-L173 WeakPolarHBondContact CD1-O 3.45Å; Y132-Y174 HydrophobicContact CD1-CD1 4.32Å; Y132-Y174 HydrophobicContact CD1-CG 4.46Å; Y132-Y174 HydrophobicContact CG-CD1 4.26Å; Y132-Q175 PolarHBondContact OH-O 2.87Å; Y132-G176 WeakPolarHBondContact OH-CA 3.12Å; Y132-G176 PolarHBondContact OH-O 3.44Å; Y132-F177 AromaticContact CD2-CD2 3.7Å; Y132-F177 HydrophobicContact CD2-CD2 3.7Å; Y132-F177 HydrophobicContact CD2-CE2 4.4Å; Y132-F177 HydrophobicContact CE2-CB 4.31Å; Y132-F177 HydrophobicContact CE2-CD2 4.09Å; Y132-F177 HydrophobicContact CG-CD2 4.1Å; Y132-F177 PolarHBondContact OH-N 3.45Å; Y132-S180 WeakPolarHBondContact CE2-OG 3.41Å; Y132-R235 VanDerWaalsContact CE2-NH2 3.34Å; Y132-R235 WeakPolarHBondContact OH-CG 3.49Å; Y132-R235 PolarHBondContact OH-NE 2.91Å; Y132-M239 HydrophobicContact CD1-CE 4.35Å; Y132-M239 HydrophobicContact CE1-CE 3.48Å; Y132-M239 VanDerWaalsContact CE1-CE 3.48Å; Y132-M239 HydrophobicContact CE2-CE 4.18Å; Y132-M239 VanDerWaalsContact OH-CE 3.25Å; Y132-M239 WeakPolarHBondContact OH-CE 3.38Å
133P97.8Very high96.4Very high19 Ų1917.3 Ų17.312%0.12310%0.099CC..Hα-helixtrans-57.3-31.2174.1-28.537.6000113.8V131 A137 L173 Y174V131-P133 VanDerWaalsContact C-CD 3.48Å; P133-A137 WeakPolarHBondContact O-CB 3.41Å; P133-A137 PolarHBondContact O-N 2.89Å; P133-L173 HydrophobicContact CB-CB 4.45Å; P133-L173 HydrophobicContact CG-CB 4.38Å; P133-Y174 HydrophobicContact CG-CD2 4.44Å; P133-Y174 HydrophobicContact CG-CE2 3.59Å
134L97.7Very high96.5Very high25 Ų2517.1 Ų17.113%0.13110%0.098CC..Hα-helixtrans-68.7-44.6174.2-60.8175.8000111.1A76 I79 R80 P83 V131 Y132 F136 A137 R138 L157A76-L134 HydrophobicContact CB-CB 4.4Å; A76-L134 WeakPolarHBondContact CB-O 3.25Å; I79-L134 HydrophobicContact CG2-CD1 3.98Å; I79-L134 HydrophobicContact CG2-CD2 4.44Å; R80-L134 HydrophobicContact CB-CD1 4.05Å; R80-L134 HydrophobicContact CG-CD1 4.43Å; P83-L134 HydrophobicContact CG-CD1 4.43Å; V131-L134 HydrophobicContact CB-CD1 4.41Å; V131-L134 WeakPolarHBondContact O-CB 3.4Å; V131-L134 PolarHBondContact O-N 2.86Å; Y132-L134 PolarHBondContact O-N 2.8Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 2.99Å; L134-A137 PolarHBondContact O-N 3.17Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.68Å; L134-L157 HydrophobicContact CD2-CD1 4.29Å; L134-L157 HydrophobicContact CD2-CD2 4.1Å
135D96.3Very high96.7Very high14 Ų1417.4 Ų17.48%0.07510%0.096CC..Hα-helixtrans-63.1-38.7175.6-84.1-14000112.1R80 V131 Y132 T139 R235 M239R80-D135 WeakPolarHBondContact CD-OD1 3.5Å; R80-D135 IonicContact NE-OD1 3.88Å; V131-D135 PolarHBondContact O-N 3.42Å; Y132-D135 WeakPolarHBondContact O-CB 3.48Å; Y132-D135 PolarHBondContact O-N 2.94Å; D135-T139 PolarHBondContact O-N 2.72Å; D135-T139 VanDerWaalsContact O-N 3.14Å; D135-T139 PolarHBondContact O-OG1 3.09Å; D135-R235 IonicContact OD2-CZ 3.83Å; D135-R235 IonicContact OD2-NH1 3.85Å; D135-R235 IonicContact OD2-NH2 3.34Å; D135-R235 PolarHBondContact OD2-NH2 2.95Å; D135-M239 HydrophobicContact CB-CE 4.33Å
136F97.9Very high96.6Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-60.6-57.1174.6169.9-89.5000110.5Y132 L134 R138 T139 R140 I164 G172 L173 M239 S242Y132-F136 HydrophobicContact CD1-CB 4.49Å; Y132-F136 WeakPolarHBondContact O-CB 3.29Å; Y132-F136 PolarHBondContact O-N 2.99Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 2.99Å; F136-R138 VanDerWaalsContact C-N 3.31Å; F136-R138 PolarHBondContact O-N 2.89Å; F136-T139 WeakPolarHBondContact O-CB 3.17Å; F136-T139 PolarHBondContact O-N 2.78Å; F136-R140 HydrophobicContact CD1-CG 4.35Å; F136-R140 HydrophobicContact CD2-CG 4.48Å; F136-R140 HydrophobicContact CE1-CG 3.84Å; F136-R140 HydrophobicContact CE2-CG 4.01Å; F136-R140 HydrophobicContact CZ-CG 3.65Å; F136-R140 WeakPolarHBondContact O-CG 3.48Å; F136-R140 PolarHBondContact O-N 3.41Å; F136-I164 HydrophobicContact CE1-CB 4.07Å; F136-I164 HydrophobicContact CE1-CG1 3.8Å; F136-I164 HydrophobicContact CE1-CG2 3.95Å; F136-I164 HydrophobicContact CZ-CB 4.22Å; F136-I164 HydrophobicContact CZ-CD1 4.37Å; F136-I164 HydrophobicContact CZ-CG1 3.83Å; F136-I164 HydrophobicContact CZ-CG2 3.75Å; F136-G172 WeakPolarHBondContact CE2-O 3.43Å; F136-L173 WeakPolarHBondContact CB-O 3.43Å; F136-L173 HydrophobicContact CD1-CD2 3.8Å; F136-L173 HydrophobicContact CE1-CD2 3.83Å; F136-M239 HydrophobicContact CB-CE 4.48Å; F136-M239 HydrophobicContact CD2-CB 3.93Å; F136-M239 HydrophobicContact CD2-CG 4Å; F136-M239 HydrophobicContact CE2-CB 4.21Å; F136-M239 WeakPolarHBondContact CE2-O 3.49Å; F136-S242 WeakPolarHBondContact CE2-OG 3.28Å
137A97.9Very high96.4Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-64.7-37.4-176.200000112P133 L134 T139 R140 L141 L157 C160 I161P133-A137 WeakPolarHBondContact O-CB 3.41Å; P133-A137 PolarHBondContact O-N 2.89Å; L134-A137 PolarHBondContact O-N 3.17Å; A137-T139 VanDerWaalsContact C-N 3.3Å; A137-T139 PolarHBondContact O-N 3.47Å; A137-R140 PolarHBondContact O-N 3.13Å; A137-L141 VanDerWaalsContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CB 3.47Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.02Å; A137-L141 PolarHBondContact O-N 3.44Å; A137-L157 HydrophobicContact CB-CD1 3.34Å; A137-C160 HydrophobicContact CB-CB 4.13Å; A137-I161 HydrophobicContact CB-CD1 4.46Å; A137-I161 HydrophobicContact CB-CG1 3.97Å
138R97.6Very high96.1Very high14 Ų1423.1 Ų23.15%0.05313%0.126CC..Hα-helixtrans-52.5-49.1170.1-176.6-176.4175.6-81.4-44.7111.9E30 A76 N77 L134 F136 A142E30-R138 VanDerWaalsContact CD-NH1 3.35Å; E30-R138 IonicContact OE1-CZ 2.95Å; E30-R138 IonicContact OE1-NE 3.72Å; E30-R138 IonicContact OE1-NH1 2.98Å; E30-R138 PolarHBondContact OE1-NH1 2.78Å; E30-R138 IonicContact OE1-NH2 3.69Å; E30-R138 PolarHBondContact OE1-NH2 3.33Å; E30-R138 VanDerWaalsContact OE1-NH2 3.15Å; E30-R138 IonicContact OE2-CZ 3.26Å; E30-R138 VanDerWaalsContact OE2-CZ 3.27Å; E30-R138 IonicContact OE2-NE 2.63Å; E30-R138 IonicContact OE2-NH1 3.5Å; E30-R138 IonicContact OE2-NH2 3.84Å; E30-R138 PolarHBondContact OE2-NH2 3.23Å; A76-R138 HydrophobicContact CB-CB 3.76Å; A76-R138 HydrophobicContact CB-CG 4.38Å; N77-R138 PolarHBondContact ND2-NE 2.83Å; N77-R138 VanDerWaalsContact OD1-CD 3.26Å; N77-R138 WeakPolarHBondContact OD1-CD 3.36Å; N77-R138 PolarHBondContact OD1-NE 3.35Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 PolarHBondContact O-N 2.68Å; F136-R138 VanDerWaalsContact C-N 3.31Å; F136-R138 PolarHBondContact O-N 2.89Å; R138-A142 VanDerWaalsContact O-CB 3.29Å; R138-A142 WeakPolarHBondContact O-CB 3.47Å; R138-A142 PolarHBondContact O-N 3.18Å
139T97.7Very high95.7Very high0 Ų025.8 Ų25.80%015%0.15CC..Hα-helixtrans-65.5-45.6-177.9-55.20000111L34 D135 F136 A137 A142 A143 R236 M239L34-T139 HydrophobicContact CD2-CG2 4.45Å; D135-T139 PolarHBondContact O-N 2.72Å; D135-T139 VanDerWaalsContact O-N 3.14Å; D135-T139 PolarHBondContact O-OG1 3.09Å; F136-T139 WeakPolarHBondContact O-CB 3.17Å; F136-T139 PolarHBondContact O-N 2.78Å; A137-T139 VanDerWaalsContact C-N 3.3Å; A137-T139 PolarHBondContact O-N 3.47Å; T139-A142 PolarHBondContact O-N 2.97Å; T139-A143 WeakPolarHBondContact O-CB 3.48Å; T139-A143 PolarHBondContact O-N 2.89Å; T139-R236 HydrophobicContact CG2-CB 4.15Å; T139-R236 HydrophobicContact CG2-CG 4.31Å; T139-R236 PolarHBondContact OG1-NH1 3.27Å; T139-M239 HydrophobicContact CG2-SD 3.98Å; T139-M239 PolarHBondContact OG1-SD 3.23Å; T139-M239 VanDerWaalsContact OG1-SD 3.38Å
140R98Very high95.6Very high2 Ų228 Ų281%0.00817%0.172CC..Hα-helixtrans-64.5-44.1179.7-67.2-59.4-66.8-870.2112.7F136 A137 A143 D144 E153 F154 M239 S242F136-R140 HydrophobicContact CD1-CG 4.35Å; F136-R140 HydrophobicContact CD2-CG 4.48Å; F136-R140 HydrophobicContact CE1-CG 3.84Å; F136-R140 HydrophobicContact CE2-CG 4.01Å; F136-R140 HydrophobicContact CZ-CG 3.65Å; F136-R140 WeakPolarHBondContact O-CG 3.48Å; F136-R140 PolarHBondContact O-N 3.41Å; A137-R140 PolarHBondContact O-N 3.13Å; R140-A143 PolarHBondContact O-N 3.12Å; R140-D144 PolarHBondContact O-N 3.32Å; R140-D144 VanDerWaalsContact O-N 3.11Å; R140-E153 IonicContact CZ-OE1 3.31Å; R140-E153 IonicContact NH2-OE1 2.89Å; R140-E153 PolarHBondContact NH2-OE1 2.68Å; R140-E153 IonicContact NH2-OE2 2.78Å; R140-F154 HydrophobicContact CB-CD2 4.28Å; R140-F154 HydrophobicContact CB-CE2 3.87Å; R140-M239 PolarHBondContact NH1-O 2.9Å; R140-S242 PolarHBondContact NH1-O 3.31Å; R140-S242 PolarHBondContact NH2-O 2.92Å; R140-S242 VanDerWaalsContact NH2-O 3.08Å
141L97.7Very high95.3Very high7 Ų727.2 Ų27.24%0.03717%0.17CC..Hα-helixtrans-65-39.2175.7-72.2167.8000112.2R72 A137 A143 D144 F154 L157 C160R72-L141 WeakPolarHBondContact CD-O 2.97Å; R72-L141 HydrophobicContact CG-CB 4.35Å; R72-L141 VanDerWaalsContact CG-O 3.28Å; R72-L141 WeakPolarHBondContact CG-O 3.47Å; A137-L141 VanDerWaalsContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CB 3.47Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.02Å; A137-L141 PolarHBondContact O-N 3.44Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-D144 PolarHBondContact O-N 3.3Å; L141-F154 HydrophobicContact CD2-CB 3.79Å; L141-L157 HydrophobicContact CD1-CB 4.4Å; L141-C160 HydrophobicContact CG-CB 4.47Å
142A97.3Very high95.3Very high1 Ų130.4 Ų30.41%0.00818%0.182CC..Hα-helixtrans-65.4-38177.200000112.2R31 L34 R138 T139 D144R31-A142 HydrophobicContact CG-CB 4.34Å; R31-A142 PolarHBondContact NE-O 3.14Å; L34-A142 HydrophobicContact CB-CB 4.13Å; L34-A142 HydrophobicContact CD1-CB 3.45Å; L34-A142 VanDerWaalsContact CD1-CB 3.45Å; L34-A142 HydrophobicContact CG-CB 4.45Å; R138-A142 VanDerWaalsContact O-CB 3.29Å; R138-A142 WeakPolarHBondContact O-CB 3.47Å; R138-A142 PolarHBondContact O-N 3.18Å; T139-A142 PolarHBondContact O-N 2.97Å; A142-D144 VanDerWaalsContact C-N 3.31Å
143A97.1Very high95.1Very high1 Ų132.9 Ų32.91%0.00819%0.194CC..Hα-helixtrans-73.9-18178.300000114V38 T139 R140 L141 V145 M240V38-A143 HydrophobicContact CG2-CB 3.63Å; T139-A143 WeakPolarHBondContact O-CB 3.48Å; T139-A143 PolarHBondContact O-N 2.89Å; R140-A143 PolarHBondContact O-N 3.12Å; L141-A143 VanDerWaalsContact C-N 3.33Å; A143-V145 PolarHBondContact O-N 3.44Å; A143-M240 HydrophobicContact CB-CE 3.6Å; A143-M240 HydrophobicContact CB-SD 3.75Å
144D96.4Very high95Very high0 Ų032.1 Ų32.10%019%0.188CC..  trans-72.4111.1179.7-176.5-21.5000111R31 Q44 Q65 R72 R140 L141 A142 G146 E153 F154R31-D144 PolarHBondContact NH2-O 2.84Å; Q44-D144 PolarHBondContact NE2-OD1 2.95Å; Q44-D144 PolarHBondContact OE1-OD1 2.98Å; Q65-D144 PolarHBondContact NE2-O 2.65Å; Q65-D144 VanDerWaalsContact NE2-O 3.13Å; R72-D144 IonicContact CZ-OD1 3.74Å; R72-D144 IonicContact CZ-OD2 3.84Å; R72-D144 PolarHBondContact NH1-O 3.36Å; R72-D144 IonicContact NH1-OD1 2.65Å; R72-D144 PolarHBondContact NH1-OD1 3.44Å; R72-D144 IonicContact NH1-OD2 2.83Å; R72-D144 PolarHBondContact NH1-OD2 3.18Å; R72-D144 IonicContact NH2-OD1 3.63Å; R72-D144 IonicContact NH2-OD2 2.64Å; R72-D144 PolarHBondContact NH2-OD2 3.36Å; R140-D144 PolarHBondContact O-N 3.32Å; R140-D144 VanDerWaalsContact O-N 3.11Å; L141-D144 PolarHBondContact O-N 3.3Å; A142-D144 VanDerWaalsContact C-N 3.31Å; D144-G146 WeakPolarHBondContact OD1-CA 3.44Å; D144-G146 PolarHBondContact OD1-N 2.99Å; D144-E153 WeakPolarHBondContact OD2-CA 3.23Å; D144-E153 WeakPolarHBondContact OD2-CB 3.18Å; D144-E153 PolarHBondContact OD2-N 3.24Å; D144-F154 PolarHBondContact OD2-N 3.4Å; D144-F154 VanDerWaalsContact OD2-N 3.16Å
145V95Very high94.8Very high19 Ų1937.1 Ų37.112%0.11521%0.211CC..  trans-96.511.5-179.2-64.80000113.5L35 Q44 I45 Y51 Q65 A143 K147L35-V145 HydrophobicContact CD2-CG1 3.7Å; Q44-V145 HydrophobicContact CB-CG2 3.38Å; Q44-V145 HydrophobicContact CG-CG2 4.35Å; I45-V145 HydrophobicContact CD1-CG1 3.75Å; I45-V145 HydrophobicContact CD1-CG2 4.27Å; I45-V145 HydrophobicContact CG1-CB 4.37Å; I45-V145 HydrophobicContact CG1-CG1 3.99Å; I45-V145 HydrophobicContact CG1-CG2 3.58Å; Y51-V145 HydrophobicContact CE2-CG1 4.43Å; Q65-V145 PolarHBondContact NE2-O 3.02Å; A143-V145 PolarHBondContact O-N 3.44Å; V145-K147 PolarHBondContact O-N 3.27Å
146G93.3Very high94.8Very high3 Ų337.6 Ų37.63%0.03122%0.219CC..  trans-58.9132.6176.500000112.6Q65 D144 Q151 R152Q65-G146 PolarHBondContact NE2-O 3.38Å; Q65-G146 VanDerWaalsContact NE2-O 3.1Å; D144-G146 WeakPolarHBondContact OD1-CA 3.44Å; D144-G146 PolarHBondContact OD1-N 2.99Å; G146-Q151 WeakPolarHBondContact CA-O 3.48Å; G146-R152 WeakPolarHBondContact O-CD 3.33Å; G146-R152 PolarHBondContact O-NH1 3.11Å
147K91.3Very high94.7Very high134 Ų13438.6 Ų38.658%0.58323%0.225SC*.SBendtrans-82.3-34.7-172-52.1-169.8172.1-176.60113.8E64 V145 Q151E64-K147 WeakPolarHBondContact O-CB 3.43Å; E64-K147 WeakPolarHBondContact O-CD 3.27Å; E64-K147 WeakPolarHBondContact O-CG 3.23Å; V145-K147 PolarHBondContact O-N 3.27Å; K147-Q151 VanDerWaalsContact CB-OE1 3.3Å
148G88Confident94.7Very high37 Ų3740.6 Ų40.638%0.38125%0.245SC..SBendtrans-140.5171.4176.200000110.8A150 Q151 R152G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 3.24Å; G148-A150 VanDerWaalsContact O-N 3.14Å; G148-Q151 PolarHBondContact O-N 2.95Å; G148-R152 WeakPolarHBondContact O-CG 3.12Å; G148-R152 PolarHBondContact O-N 3.38Å
149A88.1Confident94.7Very high69 Ų6942.6 Ų42.657%0.5726%0.257SS*.G310 helixtrans-47.6-45.8-171.500000113.6Q151 R152A149-Q151 PolarHBondContact O-N 2.94Å; A149-R152 PolarHBondContact O-N 3.05Å
150A91.7Very high94.7Very high109 Ų10942.6 Ų42.690%0.90126%0.257SS*.G310 helixtrans-63.9-23.7179.700000114.8G148G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 3.24Å; G148-A150 VanDerWaalsContact O-N 3.14Å
151Q91.9Very high94.7Very high115 Ų11544.6 Ų44.654%0.53727%0.267SS..G310 helixtrans-99.9-6.8-179.8-64.7178-9.300112.9Q44 G146 K147 G148 A149Q44-Q151 PolarHBondContact NE2-O 2.85Å; G146-Q151 WeakPolarHBondContact CA-O 3.48Å; K147-Q151 VanDerWaalsContact CB-OE1 3.3Å; G148-Q151 PolarHBondContact O-N 2.95Å; A149-Q151 PolarHBondContact O-N 2.94Å
152R94.3Very high94.7Very high69 Ų6948.8 Ų48.826%0.2629%0.289SS..  trans-70.4137.7178-52.5-70-105.3-165.31.4108.6R72 G146 G148 A149 F154R72-R152 VanDerWaalsContact CZ-CD 3.44Å; R72-R152 VanDerWaalsContact NE-CZ 3.34Å; R72-R152 VanDerWaalsContact NH1-NE 3.11Å; G146-R152 WeakPolarHBondContact O-CD 3.33Å; G146-R152 PolarHBondContact O-NH1 3.11Å; G148-R152 WeakPolarHBondContact O-CG 3.12Å; G148-R152 PolarHBondContact O-N 3.38Å; A149-R152 PolarHBondContact O-N 3.05Å; R152-F154 VanDerWaalsContact C-N 3.32Å
153E93.3Very high94.7Very high53 Ų5353.6 Ų53.625%0.24831%0.309CS..SBendtrans-69.5-37.4168.5-165.6-177.7178.200110.8R140 D144 K163R140-E153 IonicContact CZ-OE1 3.31Å; R140-E153 IonicContact NH2-OE1 2.89Å; R140-E153 PolarHBondContact NH2-OE1 2.68Å; R140-E153 IonicContact NH2-OE2 2.78Å; D144-E153 WeakPolarHBondContact OD2-CA 3.23Å; D144-E153 WeakPolarHBondContact OD2-CB 3.18Å; D144-E153 PolarHBondContact OD2-N 3.24Å; E153-K163 PolarHBondContact O-NZ 3.31Å
154F95.5Very high94.7Very high2 Ų253.7 Ų53.71%0.00931%0.31CS..  trans-140.1136.3178.8-49.3-74.9000112.3R72 R140 L141 D144 R152 D159 C160 K163 I164R72-F154 PolarHBondContact NH2-O 3.31Å; R140-F154 HydrophobicContact CB-CD2 4.28Å; R140-F154 HydrophobicContact CB-CE2 3.87Å; L141-F154 HydrophobicContact CD2-CB 3.79Å; D144-F154 PolarHBondContact OD2-N 3.4Å; D144-F154 VanDerWaalsContact OD2-N 3.16Å; R152-F154 VanDerWaalsContact C-N 3.32Å; F154-D159 WeakPolarHBondContact CA-OD2 3.41Å; F154-C160 HydrophobicContact CB-CB 3.96Å; F154-C160 VanDerWaalsContact CD1-CA 3.46Å; F154-C160 HydrophobicContact CD1-CB 3.87Å; F154-C160 HydrophobicContact CD2-CB 4.33Å; F154-C160 HydrophobicContact CE1-CB 4.45Å; F154-C160 HydrophobicContact CG-CB 3.78Å; F154-K163 HydrophobicContact CD1-CB 4.41Å; F154-K163 HydrophobicContact CD1-CD 3.95Å; F154-K163 HydrophobicContact CE1-CB 4.25Å; F154-K163 HydrophobicContact CE1-CD 3.9Å; F154-K163 HydrophobicContact CE1-CG 4.29Å; F154-I164 HydrophobicContact CE1-CD1 4.18Å; F154-I164 HydrophobicContact CE1-CG1 4.02Å; F154-I164 HydrophobicContact CZ-CD1 3.98Å; F154-I164 HydrophobicContact CZ-CG1 4.07Å
155H94.5Very high94.8Very high130 Ų13058.8 Ų58.860%0.60233%0.332SS*.SBendtrans-76-24.7179.4-62.289.9000112.9D159H155-D159 HydrophobicContact CB-CB 4.27Å; H155-D159 IonicContact CG-OD2 2.8Å; H155-D159 PolarHBondContact N-OD2 3.42Å; H155-D159 IonicContact ND1-OD2 2.64Å; H155-D159 PolarHBondContact ND1-OD2 2.9Å
156G95.5Very high94.9Very high25 Ų2566.1 Ų66.126%0.25836%0.363SS..SBendtrans-178.2-169.9-179.400000113.4C160G156-C160 VanDerWaalsContact O-CB 3.31Å; G156-C160 WeakPolarHBondContact O-CB 3.43Å; G156-C160 PolarHBondContact O-N 3.13Å
157L96.6Very high95Very high21 Ų2168.2 Ų68.211%0.1138%0.377CS..Hα-helixtrans-60.9-51.7-178.3177.558.8000112.3L75 A76 I79 L134 A137 L141 C160 I161L75-L157 HydrophobicContact CD2-CB 4.29Å; L75-L157 HydrophobicContact CD2-CD2 4.22Å; L75-L157 HydrophobicContact CG-CD2 4.2Å; A76-L157 HydrophobicContact CB-CD1 4.04Å; A76-L157 HydrophobicContact CB-CD2 4.34Å; I79-L157 HydrophobicContact CD1-CD2 3.77Å; L134-L157 HydrophobicContact CD2-CD1 4.29Å; L134-L157 HydrophobicContact CD2-CD2 4.1Å; A137-L157 HydrophobicContact CB-CD1 3.34Å; L141-L157 HydrophobicContact CD1-CB 4.4Å; L157-C160 PolarHBondContact O-N 3.02Å; L157-I161 HydrophobicContact CD1-CD1 3.95Å; L157-I161 HydrophobicContact CD1-CG1 4.48Å; L157-I161 HydrophobicContact CG-CD1 4.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 3.29Å; L157-I161 VanDerWaalsContact O-N 3.11Å
158G97.3Very high95.2Very high42 Ų4263.8 Ų63.843%0.43336%0.36SS..Hα-helixtrans-62.6-46179.500000112.5C160 I161 I162G158-C160 VanDerWaalsContact C-N 3.34Å; G158-C160 PolarHBondContact O-N 2.84Å; G158-I161 PolarHBondContact O-N 3.16Å; G158-I162 WeakPolarHBondContact O-CB 3.08Å; G158-I162 VanDerWaalsContact O-CG1 3.29Å; G158-I162 WeakPolarHBondContact O-CG1 3.19Å; G158-I162 PolarHBondContact O-N 3.12Å
159D97.5Very high95.6Very high55 Ų5563.2 Ų63.229%0.29435%0.354SS..Hα-helixtrans-58.5-44.3176.1-177.447.9000111.8F154 H155 I161 I162 K163F154-D159 WeakPolarHBondContact CA-OD2 3.41Å; H155-D159 HydrophobicContact CB-CB 4.27Å; H155-D159 IonicContact CG-OD2 2.8Å; H155-D159 PolarHBondContact N-OD2 3.42Å; H155-D159 IonicContact ND1-OD2 2.64Å; H155-D159 PolarHBondContact ND1-OD2 2.9Å; D159-I161 PolarHBondContact O-N 3.45Å; D159-I162 PolarHBondContact O-N 3.27Å; D159-K163 WeakPolarHBondContact O-CB 3.48Å; D159-K163 PolarHBondContact O-N 2.94Å
160C97.6Very high96Very high0 Ų065.3 Ų65.30%035%0.354CS..Hα-helixtrans-59.7-47.3177.1-173.90000112.6A137 L141 F154 G156 L157 G158 I164A137-C160 HydrophobicContact CB-CB 4.13Å; L141-C160 HydrophobicContact CG-CB 4.47Å; F154-C160 HydrophobicContact CB-CB 3.96Å; F154-C160 VanDerWaalsContact CD1-CA 3.46Å; F154-C160 HydrophobicContact CD1-CB 3.87Å; F154-C160 HydrophobicContact CD2-CB 4.33Å; F154-C160 HydrophobicContact CE1-CB 4.45Å; F154-C160 HydrophobicContact CG-CB 3.78Å; G156-C160 VanDerWaalsContact O-CB 3.31Å; G156-C160 WeakPolarHBondContact O-CB 3.43Å; G156-C160 PolarHBondContact O-N 3.13Å; L157-C160 PolarHBondContact O-N 3.02Å; G158-C160 VanDerWaalsContact C-N 3.34Å; G158-C160 PolarHBondContact O-N 2.84Å; C160-I164 WeakPolarHBondContact O-CB 3.46Å; C160-I164 WeakPolarHBondContact O-CG1 3.47Å; C160-I164 PolarHBondContact O-N 3.42Å
161I97.9Very high96.1Very high45 Ų4569.3 Ų69.323%0.23135%0.346CS..Hα-helixtrans-64.9-49.1179.4-67.2172.4000110.5A137 L157 G158 D159 F165 L173A137-I161 HydrophobicContact CB-CD1 4.46Å; A137-I161 HydrophobicContact CB-CG1 3.97Å; L157-I161 HydrophobicContact CD1-CD1 3.95Å; L157-I161 HydrophobicContact CD1-CG1 4.48Å; L157-I161 HydrophobicContact CG-CD1 4.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 3.29Å; L157-I161 VanDerWaalsContact O-N 3.11Å; G158-I161 PolarHBondContact O-N 3.16Å; D159-I161 PolarHBondContact O-N 3.45Å; I161-F165 WeakPolarHBondContact O-CB 3.2Å; I161-F165 PolarHBondContact O-N 3.03Å; I161-L173 HydrophobicContact CG2-CD1 4Å; I161-L173 HydrophobicContact CG2-CD2 4.39Å
162I97.8Very high96.3Very high95 Ų9563.9 Ų63.949%0.48732%0.321SS..Hα-helixtrans-64.4-46.4-177.2-67.8167.8000111.1G158 D159 I164 F165 K166G158-I162 WeakPolarHBondContact O-CB 3.08Å; G158-I162 VanDerWaalsContact O-CG1 3.29Å; G158-I162 WeakPolarHBondContact O-CG1 3.19Å; G158-I162 PolarHBondContact O-N 3.12Å; D159-I162 PolarHBondContact O-N 3.27Å; I162-I164 PolarHBondContact O-N 2.98Å; I162-F165 PolarHBondContact O-N 3.43Å; I162-K166 HydrophobicContact CG2-CD 4.08Å; I162-K166 HydrophobicContact CG2-CG 4.42Å; I162-K166 WeakPolarHBondContact O-CB 3.48Å; I162-K166 WeakPolarHBondContact O-CG 3.14Å; I162-K166 PolarHBondContact O-N 3.38Å
163K97.4Very high96.5Very high101 Ų10160.9 Ų60.944%0.43931%0.31SS..Hα-helixtrans-63.2-43-177.4-173.3170.8176.6-179.60111.8E153 F154 D159 S167E153-K163 PolarHBondContact O-NZ 3.31Å; F154-K163 HydrophobicContact CD1-CB 4.41Å; F154-K163 HydrophobicContact CD1-CD 3.95Å; F154-K163 HydrophobicContact CE1-CB 4.25Å; F154-K163 HydrophobicContact CE1-CD 3.9Å; F154-K163 HydrophobicContact CE1-CG 4.29Å; D159-K163 WeakPolarHBondContact O-CB 3.48Å; D159-K163 PolarHBondContact O-N 2.94Å; K163-S167 PolarHBondContact O-N 2.9Å; K163-S167 VanDerWaalsContact O-N 3.13Å
164I97.7Very high96.7Very high4 Ų461.5 Ų61.52%0.02131%0.311CS..Hα-helixtrans-72.8-38.5177.4-64.7-63.8000111.7F136 F154 C160 I162 K166 S167 D168 L173F136-I164 HydrophobicContact CE1-CB 4.07Å; F136-I164 HydrophobicContact CE1-CG1 3.8Å; F136-I164 HydrophobicContact CE1-CG2 3.95Å; F136-I164 HydrophobicContact CZ-CB 4.22Å; F136-I164 HydrophobicContact CZ-CD1 4.37Å; F136-I164 HydrophobicContact CZ-CG1 3.83Å; F136-I164 HydrophobicContact CZ-CG2 3.75Å; F154-I164 HydrophobicContact CE1-CD1 4.18Å; F154-I164 HydrophobicContact CE1-CG1 4.02Å; F154-I164 HydrophobicContact CZ-CD1 3.98Å; F154-I164 HydrophobicContact CZ-CG1 4.07Å; C160-I164 WeakPolarHBondContact O-CB 3.46Å; C160-I164 WeakPolarHBondContact O-CG1 3.47Å; C160-I164 PolarHBondContact O-N 3.42Å; I162-I164 PolarHBondContact O-N 2.98Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 2.85Å; I164-S167 PolarHBondContact O-N 3.11Å; I164-S167 PolarHBondContact O-OG 3.42Å; I164-D168 PolarHBondContact O-N 2.86Å; I164-L173 HydrophobicContact CB-CD2 3.93Å; I164-L173 HydrophobicContact CG2-CD2 3.75Å; I164-L173 HydrophobicContact CG2-CG 4.28Å
165F97.8Very high96.8Very high106 Ų10663.4 Ų63.447%0.46532%0.32SS..Hα-helixtrans-60.9-42.6174.3-176.2-98.9000111.6I161 I162 S167 G169 L170 L173I161-F165 WeakPolarHBondContact O-CB 3.2Å; I161-F165 PolarHBondContact O-N 3.03Å; I162-F165 PolarHBondContact O-N 3.43Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 2.9Å; F165-G169 WeakPolarHBondContact O-CA 3.32Å; F165-G169 PolarHBondContact O-N 3.05Å; F165-L170 HydrophobicContact CD2-CD2 4.08Å; F165-L170 HydrophobicContact CD2-CG 4.47Å; F165-L170 HydrophobicContact CE2-CD2 3.72Å; F165-L170 HydrophobicContact CE2-CG 3.88Å; F165-L173 HydrophobicContact CB-CD1 4.19Å; F165-L173 HydrophobicContact CD2-CD1 4.13Å
166K97.1Very high96.9Very high174 Ų17457.4 Ų57.476%0.75729%0.293SS*.Hα-helixtrans-63.9-33.7175-75.1-178.7177.3-1750113I162 I164I162-K166 HydrophobicContact CG2-CD 4.08Å; I162-K166 HydrophobicContact CG2-CG 4.42Å; I162-K166 WeakPolarHBondContact O-CB 3.48Å; I162-K166 WeakPolarHBondContact O-CG 3.14Å; I162-K166 PolarHBondContact O-N 3.38Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 2.85Å
167S95.4Very high97Very high47 Ų4758.1 Ų58.133%0.32929%0.29SS..Hα-helixtrans-84.6-39.6-177.476.90000113.8K163 I164 F165 K245K163-S167 PolarHBondContact O-N 2.9Å; K163-S167 VanDerWaalsContact O-N 3.13Å; I164-S167 PolarHBondContact O-N 3.11Å; I164-S167 PolarHBondContact O-OG 3.42Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 2.9Å; S167-K245 PolarHBondContact O-NZ 3.26Å
168D95.8Very high97Very high41 Ų4162.6 Ų62.622%0.21931%0.313CS..Hα-helixtrans-130.7-1.7-166.2-67.114.9000113.3I164 S242 G243 K245I164-D168 PolarHBondContact O-N 2.86Å; D168-S242 VanDerWaalsContact OD2-CA 3.29Å; D168-S242 WeakPolarHBondContact OD2-CA 3.31Å; D168-G243 PolarHBondContact OD2-N 3.29Å; D168-K245 IonicContact OD1-NZ 3.49Å; D168-K245 PolarHBondContact OD1-NZ 3.28Å
169G96.7Very high97Very high25 Ų2560.6 Ų60.626%0.25829%0.293SS..Hα-helixtrans64-157.8-173.200000113.1F165 R171 G172F165-G169 WeakPolarHBondContact O-CA 3.32Å; F165-G169 PolarHBondContact O-N 3.05Å; G169-R171 PolarHBondContact O-N 3.16Å; G169-G172 PolarHBondContact O-N 3.09Å
170L95.7Very high96.9Very high112 Ų11258.2 Ų58.259%0.58628%0.281SS*.Hα-helixtrans-60.4-32.6175.7-68.8177.5000112.3F165 G172 L173 Y174F165-L170 HydrophobicContact CD2-CD2 4.08Å; F165-L170 HydrophobicContact CD2-CG 4.47Å; F165-L170 HydrophobicContact CE2-CD2 3.72Å; F165-L170 HydrophobicContact CE2-CG 3.88Å; L170-G172 PolarHBondContact O-N 3.18Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-L173 VanDerWaalsContact O-N 3.11Å; L170-Y174 VanDerWaalsContact O-CD2 3.32Å; L170-Y174 WeakPolarHBondContact O-CD2 3.21Å; L170-Y174 PolarHBondContact O-N 3.13Å
171R95.3Very high96.8Very high194 Ų19459.6 Ų59.673%0.73229%0.289SS*.Hα-helixtrans-57.8-38.2-178.9-173.8177.8176.4179.8-1111.9G169 Y174 Q175G169-R171 PolarHBondContact O-N 3.16Å; R171-Y174 PolarHBondContact O-N 3.35Å; R171-Q175 PolarHBondContact O-N 3.05Å
172G96.2Very high96.8Very high1 Ų161.9 Ų61.91%0.0130%0.298CS..Hα-helixtrans-63.8-47.2175.400000112.6F136 G169 L170 Y174 Q175 S242F136-G172 WeakPolarHBondContact CE2-O 3.43Å; G169-G172 PolarHBondContact O-N 3.09Å; L170-G172 PolarHBondContact O-N 3.18Å; G172-Y174 PolarHBondContact O-N 3.19Å; G172-Y174 VanDerWaalsContact O-N 3.14Å; G172-Q175 PolarHBondContact O-N 2.97Å; G172-S242 PolarHBondContact O-OG 3.44Å
173L97.6Very high96.7Very high6 Ų657.9 Ų57.93%0.03128%0.281CS..Hα-helixtrans-65-20.6-178.4-62177.9000113.7Y132 P133 F136 I161 I164 F165 L170Y132-L173 VanDerWaalsContact CD1-O 3.3Å; Y132-L173 WeakPolarHBondContact CD1-O 3.45Å; P133-L173 HydrophobicContact CB-CB 4.45Å; P133-L173 HydrophobicContact CG-CB 4.38Å; F136-L173 WeakPolarHBondContact CB-O 3.43Å; F136-L173 HydrophobicContact CD1-CD2 3.8Å; F136-L173 HydrophobicContact CE1-CD2 3.83Å; I161-L173 HydrophobicContact CG2-CD1 4Å; I161-L173 HydrophobicContact CG2-CD2 4.39Å; I164-L173 HydrophobicContact CB-CD2 3.93Å; I164-L173 HydrophobicContact CG2-CD2 3.75Å; I164-L173 HydrophobicContact CG2-CG 4.28Å; F165-L173 HydrophobicContact CB-CD1 4.19Å; F165-L173 HydrophobicContact CD2-CD1 4.13Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-L173 VanDerWaalsContact O-N 3.11Å
174Y98.1Very high96.6Very high65 Ų6555 Ų5526%0.25527%0.27SS..THydrogen-bonded Turntrans-110.114.7-177.8-72.7-104.6000113.8C129 Y132 P133 L170 R171 G172 G176 F177C129-Y174 WeakPolarHBondContact O-CE1 3.45Å; C129-Y174 PolarHBondContact O-OH 3.31Å; Y132-Y174 HydrophobicContact CD1-CD1 4.32Å; Y132-Y174 HydrophobicContact CD1-CG 4.46Å; Y132-Y174 HydrophobicContact CG-CD1 4.26Å; P133-Y174 HydrophobicContact CG-CD2 4.44Å; P133-Y174 HydrophobicContact CG-CE2 3.59Å; L170-Y174 VanDerWaalsContact O-CD2 3.32Å; L170-Y174 WeakPolarHBondContact O-CD2 3.21Å; L170-Y174 PolarHBondContact O-N 3.13Å; R171-Y174 PolarHBondContact O-N 3.35Å; G172-Y174 PolarHBondContact O-N 3.19Å; G172-Y174 VanDerWaalsContact O-N 3.14Å; Y174-G176 PolarHBondContact O-N 2.63Å; Y174-F177 AromaticContact CD1-CD2 3.85Å; Y174-F177 HydrophobicContact CD1-CD2 3.85Å; Y174-F177 HydrophobicContact CD1-CE2 4.36Å; Y174-F177 HydrophobicContact CE1-CD2 4.47Å; Y174-F177 VanDerWaalsContact O-CB 3.3Å; Y174-F177 WeakPolarHBondContact O-CB 3.23Å; Y174-F177 PolarHBondContact O-N 2.84Å
175Q97.2Very high96.5Very high42 Ų4257.9 Ų57.920%0.19629%0.285CS..THydrogen-bonded Turntrans-58.1124.2175-81.8-72.511.800111.7Y132 R171 G172 M238 M239 S242Y132-Q175 PolarHBondContact OH-O 2.87Å; R171-Q175 PolarHBondContact O-N 3.05Å; G172-Q175 PolarHBondContact O-N 2.97Å; Q175-M238 WeakPolarHBondContact CB-O 3.49Å; Q175-M238 VanDerWaalsContact OE1-CE 3.26Å; Q175-M239 WeakPolarHBondContact O-CG 3.21Å; Q175-S242 VanDerWaalsContact CG-OG 3.24Å; Q175-S242 WeakPolarHBondContact CG-OG 3.4Å
176G97Very high96.4Very high5 Ų555.7 Ų55.75%0.05228%0.277CS..THydrogen-bonded Turntrans88.110.5-176.800000114.8Y132 Y174 V179 S180Y132-G176 WeakPolarHBondContact OH-CA 3.12Å; Y132-G176 PolarHBondContact OH-O 3.44Å; Y174-G176 PolarHBondContact O-N 2.63Å; G176-V179 VanDerWaalsContact O-CG1 3.28Å; G176-V179 WeakPolarHBondContact O-CG1 3.45Å; G176-S180 WeakPolarHBondContact O-CB 3.47Å; G176-S180 PolarHBondContact O-N 2.84Å; G176-S180 VanDerWaalsContact O-N 3.14Å
177F97.3Very high96.4Very high40 Ų4051 Ų5118%0.17526%0.255CS..Hα-helixtrans-57.1-50.2178.9-175.5-90.6000112.3L128 Y132 Y174 V179 S180 V181L128-F177 HydrophobicContact CB-CD2 4.31Å; L128-F177 HydrophobicContact CB-CE2 3.58Å; L128-F177 HydrophobicContact CB-CZ 4.31Å; Y132-F177 AromaticContact CD2-CD2 3.7Å; Y132-F177 HydrophobicContact CD2-CD2 3.7Å; Y132-F177 HydrophobicContact CD2-CE2 4.4Å; Y132-F177 HydrophobicContact CE2-CB 4.31Å; Y132-F177 HydrophobicContact CE2-CD2 4.09Å; Y132-F177 HydrophobicContact CG-CD2 4.1Å; Y132-F177 PolarHBondContact OH-N 3.45Å; Y174-F177 AromaticContact CD1-CD2 3.85Å; Y174-F177 HydrophobicContact CD1-CD2 3.85Å; Y174-F177 HydrophobicContact CD1-CE2 4.36Å; Y174-F177 HydrophobicContact CE1-CD2 4.47Å; Y174-F177 VanDerWaalsContact O-CB 3.3Å; Y174-F177 WeakPolarHBondContact O-CB 3.23Å; Y174-F177 PolarHBondContact O-N 2.84Å; F177-V179 PolarHBondContact O-N 2.89Å; F177-S180 WeakPolarHBondContact O-CB 3.32Å; F177-S180 PolarHBondContact O-N 3.3Å; F177-S180 PolarHBondContact O-OG 3.47Å; F177-V181 HydrophobicContact CD1-CG2 4.19Å; F177-V181 HydrophobicContact CE1-CG2 3.8Å; F177-V181 HydrophobicContact CZ-CG2 4.13Å; F177-V181 PolarHBondContact O-N 3.42Å; F177-V181 VanDerWaalsContact O-N 3.11Å
178N96.1Very high96.2Very high114 Ų11452.1 Ų52.161%0.6125%0.252SS*.Hα-helixtrans-59.4-49.1-175.9-64.8-9000112.9S180 V181 Q182N178-S180 PolarHBondContact O-N 3.06Å; N178-V181 PolarHBondContact O-N 2.96Å; N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 2.74Å; N178-Q182 VanDerWaalsContact O-N 3.11Å
179V97.3Very high96.2Very high0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-66.2-27178.166.90000112.1G176 F177 G183 F231 V234 R235 T254 W258G176-V179 VanDerWaalsContact O-CG1 3.28Å; G176-V179 WeakPolarHBondContact O-CG1 3.45Å; F177-V179 PolarHBondContact O-N 2.89Å; V179-G183 PolarHBondContact O-N 3.15Å; V179-F231 HydrophobicContact CG2-CB 4.12Å; V179-F231 HydrophobicContact CG2-CD1 3.82Å; V179-F231 HydrophobicContact CG2-CG 4.41Å; V179-V234 HydrophobicContact CG1-CG1 4.29Å; V179-V234 HydrophobicContact CG2-CB 4.2Å; V179-V234 HydrophobicContact CG2-CG1 4.11Å; V179-R235 HydrophobicContact CG1-CB 3.85Å; V179-T254 HydrophobicContact CB-CG2 3.78Å; V179-T254 HydrophobicContact CG1-CG2 4.39Å; V179-T254 HydrophobicContact CG2-CG2 4.12Å; V179-W258 HydrophobicContact CG2-CZ2 4.27Å
180S96.5Very high96.1Very high6 Ų651 Ų514%0.04225%0.246CC..Hα-helixtrans-68.6-39.5174.3810000112.6L128 Y132 G176 F177 N178 G183 I184 R235L128-S180 WeakPolarHBondContact CD1-OG 3.31Å; Y132-S180 WeakPolarHBondContact CE2-OG 3.41Å; G176-S180 WeakPolarHBondContact O-CB 3.47Å; G176-S180 PolarHBondContact O-N 2.84Å; G176-S180 VanDerWaalsContact O-N 3.14Å; F177-S180 WeakPolarHBondContact O-CB 3.32Å; F177-S180 PolarHBondContact O-N 3.3Å; F177-S180 PolarHBondContact O-OG 3.47Å; N178-S180 PolarHBondContact O-N 3.06Å; S180-G183 PolarHBondContact O-N 2.88Å; S180-I184 WeakPolarHBondContact O-CG1 3.32Å; S180-I184 PolarHBondContact O-N 3.24Å; S180-R235 VanDerWaalsContact CB-CD 3.44Å
181V96Very high96Very high28 Ų2848.5 Ų48.517%0.1723%0.229CC..Hα-helixtrans-67.6-42.9176.6177.30000110.1A125 F177 N178 G183 I184 I185A125-V181 HydrophobicContact CB-CG1 4.16Å; A125-V181 HydrophobicContact CB-CG2 3.92Å; F177-V181 HydrophobicContact CD1-CG2 4.19Å; F177-V181 HydrophobicContact CE1-CG2 3.8Å; F177-V181 HydrophobicContact CZ-CG2 4.13Å; F177-V181 PolarHBondContact O-N 3.42Å; F177-V181 VanDerWaalsContact O-N 3.11Å; N178-V181 PolarHBondContact O-N 2.96Å; V181-G183 VanDerWaalsContact C-N 3.32Å; V181-G183 PolarHBondContact O-N 3.46Å; V181-I184 WeakPolarHBondContact O-CB 3.49Å; V181-I184 PolarHBondContact O-N 3.39Å; V181-I185 HydrophobicContact CG1-CD1 4.39Å; V181-I185 WeakPolarHBondContact O-CG1 3.19Å; V181-I185 PolarHBondContact O-N 3.39Å; V181-I185 VanDerWaalsContact O-N 3.13Å
182Q96.7Very high95.6Very high93 Ų9341.9 Ų41.944%0.43521%0.206SC..Hα-helixtrans-57.1-47.1171.7-66.4170.911.200111.1N178 I184 I185 I186 F231N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 2.74Å; N178-Q182 VanDerWaalsContact O-N 3.11Å; Q182-I184 VanDerWaalsContact C-N 3.29Å; Q182-I184 PolarHBondContact O-N 3.05Å; Q182-I185 PolarHBondContact O-N 3.12Å; Q182-I185 VanDerWaalsContact O-N 3.12Å; Q182-I186 WeakPolarHBondContact O-CG1 3.38Å; Q182-I186 PolarHBondContact O-N 2.94Å; Q182-F231 HydrophobicContact CB-CD1 3.81Å; Q182-F231 HydrophobicContact CB-CE1 3.82Å
183G96.8Very high95.2Very high11 Ų1143.3 Ų43.311%0.11322%0.221CC..Hα-helixtrans-58.5-37.2176.500000113.5V179 S180 V181 Y187V179-G183 PolarHBondContact O-N 3.15Å; S180-G183 PolarHBondContact O-N 2.88Å; V181-G183 VanDerWaalsContact C-N 3.32Å; V181-G183 PolarHBondContact O-N 3.46Å; G183-Y187 WeakPolarHBondContact O-CB 3.49Å; G183-Y187 PolarHBondContact O-N 3.29Å
184I94.6Very high94.8Very high42 Ų4245.3 Ų45.322%0.21523%0.233CC..Hα-helixtrans-64-44.4174.7-71.6166.7000111.2L128 S180 V181 Q182 Y187 R188L128-I184 HydrophobicContact CD1-CD1 3.63Å; L128-I184 HydrophobicContact CG-CD1 4.46Å; S180-I184 WeakPolarHBondContact O-CG1 3.32Å; S180-I184 PolarHBondContact O-N 3.24Å; V181-I184 WeakPolarHBondContact O-CB 3.49Å; V181-I184 PolarHBondContact O-N 3.39Å; Q182-I184 VanDerWaalsContact C-N 3.29Å; Q182-I184 PolarHBondContact O-N 3.05Å; I184-Y187 PolarHBondContact O-N 3.47Å; I184-R188 WeakPolarHBondContact O-CB 3.35Å; I184-R188 WeakPolarHBondContact O-CG 3.47Å; I184-R188 PolarHBondContact O-N 3.45Å
185I95.3Very high94.2Very high64 Ų6445.1 Ų45.133%0.32823%0.232SC..Hα-helixtrans-64.6-47179.8-64.6167000109.9V181 Q182 R188 A189V181-I185 HydrophobicContact CG1-CD1 4.39Å; V181-I185 WeakPolarHBondContact O-CG1 3.19Å; V181-I185 PolarHBondContact O-N 3.39Å; V181-I185 VanDerWaalsContact O-N 3.13Å; Q182-I185 PolarHBondContact O-N 3.12Å; Q182-I185 VanDerWaalsContact O-N 3.12Å; I185-R188 PolarHBondContact O-N 2.94Å; I185-A189 WeakPolarHBondContact O-CB 3.19Å; I185-A189 PolarHBondContact O-N 3.42Å
186I96.6Very high93.4Very high60 Ų6045.2 Ų45.231%0.30823%0.234SC..Hα-helixtrans-62.9-44.3177.6-64-61000111.5Q182 R188 A189 A190 V227 F231Q182-I186 WeakPolarHBondContact O-CG1 3.38Å; Q182-I186 PolarHBondContact O-N 2.94Å; I186-R188 VanDerWaalsContact C-N 3.33Å; I186-R188 PolarHBondContact O-N 3Å; I186-A189 PolarHBondContact O-N 2.99Å; I186-A190 WeakPolarHBondContact O-CB 3.33Å; I186-A190 PolarHBondContact O-N 3.03Å; I186-V227 HydrophobicContact CG2-CG1 3.87Å; I186-F231 HydrophobicContact CB-CE2 4.42Å; I186-F231 HydrophobicContact CG1-CE1 4.43Å; I186-F231 HydrophobicContact CG1-CE2 3.96Å; I186-F231 HydrophobicContact CG1-CZ 3.9Å; I186-F231 HydrophobicContact CG2-CE2 4.26Å
187Y95.7Very high92.8Very high75 Ų7549.1 Ų49.129%0.29426%0.257SS..Hα-helixtrans-57.5-47.1175.3175.6-94.6000111.1G183 I184 Y191 A224G183-Y187 WeakPolarHBondContact O-CB 3.49Å; G183-Y187 PolarHBondContact O-N 3.29Å; I184-Y187 PolarHBondContact O-N 3.47Å; Y187-Y191 VanDerWaalsContact O-CB 3.27Å; Y187-Y191 WeakPolarHBondContact O-CB 3.16Å; Y187-Y191 PolarHBondContact O-N 3.37Å; Y187-A224 HydrophobicContact CD2-CB 3.83Å; Y187-A224 WeakPolarHBondContact CD2-O 3.26Å; Y187-A224 HydrophobicContact CE2-CB 3.69Å
188R92.7Very high92.1Very high71 Ų7148.4 Ų48.427%0.26826%0.258SS..Hα-helixtrans-65.5-44.3178.3-77.4-174.5174.6-132.88.2111.9L117 I184 I185 I186 A190 Y191 F192L117-R188 HydrophobicContact CD2-CB 3.77Å; I184-R188 WeakPolarHBondContact O-CB 3.35Å; I184-R188 WeakPolarHBondContact O-CG 3.47Å; I184-R188 PolarHBondContact O-N 3.45Å; I185-R188 PolarHBondContact O-N 2.94Å; I186-R188 VanDerWaalsContact C-N 3.33Å; I186-R188 PolarHBondContact O-N 3Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.49Å; R188-Y191 PolarHBondContact O-N 3.4Å; R188-F192 VanDerWaalsContact O-CD2 3.29Å; R188-F192 WeakPolarHBondContact O-CD2 3.39Å; R188-F192 PolarHBondContact O-N 2.87Å
189A94.2Very high91.1Very high25 Ų2546.9 Ų46.921%0.20725%0.246CC..Hα-helixtrans-58.1-47.3177.900000111.5F113 L117 I185 I186 G193F113-A189 HydrophobicContact CZ-CB 4.02Å; L117-A189 HydrophobicContact CD1-CB 3.97Å; L117-A189 HydrophobicContact CD2-CB 3.91Å; I185-A189 WeakPolarHBondContact O-CB 3.19Å; I185-A189 PolarHBondContact O-N 3.42Å; I186-A189 PolarHBondContact O-N 2.99Å; A189-G193 PolarHBondContact O-N 3.21Å
190A95.4Very high90.1Very high16 Ų1650.1 Ų50.113%0.13228%0.28CS..Hα-helixtrans-64.2-44.5175.400000111.9I186 R188 G193 V194 A224 V227I186-A190 WeakPolarHBondContact O-CB 3.33Å; I186-A190 PolarHBondContact O-N 3.03Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.49Å; A190-G193 PolarHBondContact O-N 3.34Å; A190-V194 VanDerWaalsContact O-CB 3.28Å; A190-V194 WeakPolarHBondContact O-CB 3.23Å; A190-V194 WeakPolarHBondContact O-CG2 3.33Å; A190-V194 PolarHBondContact O-N 2.97Å; A190-A224 HydrophobicContact CB-CB 4.03Å; A190-V227 HydrophobicContact CB-CB 4.05Å; A190-V227 HydrophobicContact CB-CG1 4.01Å; A190-V227 HydrophobicContact CB-CG2 4.35Å
191Y92.6Very high89.4Confident61 Ų6157.2 Ų57.224%0.23931%0.314CS..Hα-helixtrans-58.9-52.2179.4-172.9-82.6000111.5Y187 R188 Y195 V220 A224Y187-Y191 VanDerWaalsContact O-CB 3.27Å; Y187-Y191 WeakPolarHBondContact O-CB 3.16Å; Y187-Y191 PolarHBondContact O-N 3.37Å; R188-Y191 PolarHBondContact O-N 3.4Å; Y191-Y195 WeakPolarHBondContact O-CB 3.39Å; Y191-Y195 PolarHBondContact O-N 2.74Å; Y191-V220 HydrophobicContact CD1-CG1 4.35Å; Y191-V220 HydrophobicContact CD2-CG1 3.65Å; Y191-V220 HydrophobicContact CE1-CG1 4.41Å; Y191-V220 HydrophobicContact CE2-CG1 3.72Å; Y191-V220 HydrophobicContact CG-CG1 3.98Å; Y191-V220 WeakPolarHBondContact O-CG1 3.39Å; Y191-A224 HydrophobicContact CD2-CB 4.33Å
192F87.9Confident88.5Confident55 Ų5557.9 Ų57.924%0.24132%0.317CS..Hα-helixtrans-66-46.4-180-81.9-81.6000111.7F113 N116 R188 V194 Y195 D196F113-F192 HydrophobicContact CD2-CB 4.45Å; F113-F192 HydrophobicContact CE2-CB 4.02Å; N116-F192 WeakPolarHBondContact ND2-CD2 3.09Å; N116-F192 WeakPolarHBondContact ND2-CE1 3.29Å; N116-F192 WeakPolarHBondContact ND2-CE2 3.47Å; N116-F192 WeakPolarHBondContact ND2-CZ 3.49Å; R188-F192 VanDerWaalsContact O-CD2 3.29Å; R188-F192 WeakPolarHBondContact O-CD2 3.39Å; R188-F192 PolarHBondContact O-N 2.87Å; F192-V194 PolarHBondContact O-N 3.44Å; F192-Y195 PolarHBondContact O-N 2.98Å; F192-D196 WeakPolarHBondContact O-CB 3.27Å; F192-D196 PolarHBondContact O-N 2.95Å
193G87.1Confident87.3Confident31 Ų3160.1 Ų60.132%0.3234%0.339SS..Hα-helixtrans-61.1-41.9-18000000113.2A189 A190 T197A189-G193 PolarHBondContact O-N 3.21Å; A190-G193 PolarHBondContact O-N 3.34Å; G193-T197 WeakPolarHBondContact O-CB 3.35Å; G193-T197 PolarHBondContact O-N 3.48Å; G193-T197 PolarHBondContact O-OG1 3.22Å
194V89.7Confident86.3Confident48 Ų4862.6 Ų62.629%0.29135%0.35SS..Hα-helixtrans-73.3-40.5177.6179.80000110.8A190 F192 A198 V220 V223A190-V194 VanDerWaalsContact O-CB 3.28Å; A190-V194 WeakPolarHBondContact O-CB 3.23Å; A190-V194 WeakPolarHBondContact O-CG2 3.33Å; A190-V194 PolarHBondContact O-N 2.97Å; F192-V194 PolarHBondContact O-N 3.44Å; V194-A198 WeakPolarHBondContact O-CB 3.28Å; V194-A198 PolarHBondContact O-N 2.84Å; V194-V220 HydrophobicContact CB-CG1 4.42Å; V194-V220 HydrophobicContact CG1-CB 4.45Å; V194-V220 HydrophobicContact CG1-CG1 4.48Å; V194-V220 HydrophobicContact CG1-CG2 3.99Å; V194-V223 HydrophobicContact CG2-CG1 3.87Å
195Y85.7Confident85Confident61 Ų6164 Ų6424%0.23936%0.362CS..Hα-helixtrans-65.5-43.5179.3-170.1-98.3000112.7Y191 F192 A198 K199 V220Y191-Y195 WeakPolarHBondContact O-CB 3.39Å; Y191-Y195 PolarHBondContact O-N 2.74Å; F192-Y195 PolarHBondContact O-N 2.98Å; Y195-A198 PolarHBondContact O-N 2.96Å; Y195-K199 HydrophobicContact CD1-CD 4.01Å; Y195-K199 HydrophobicContact CD1-CG 4.36Å; Y195-K199 HydrophobicContact CE1-CD 3.46Å; Y195-K199 VanDerWaalsContact CE1-CD 3.46Å; Y195-K199 HydrophobicContact CE1-CG 4.1Å; Y195-K199 VanDerWaalsContact CE1-NZ 3.35Å; Y195-K199 WeakPolarHBondContact O-CB 3.17Å; Y195-K199 PolarHBondContact O-N 3.33Å; Y195-K199 WeakPolarHBondContact OH-CE 3.45Å; Y195-K199 PolarHBondContact OH-NZ 2.96Å; Y195-V220 HydrophobicContact CD2-CG1 4.31Å; Y195-V220 HydrophobicContact CD2-CG2 4.13Å
196D80.7Confident83.8Confident43 Ų4370 Ų7023%0.2339%0.386CS..Hα-helixtrans-66.7-42.1178.9-74.3-22.2000110.7R105 F192 K199 G200R105-D196 IonicContact NH2-OD1 3.62Å; F192-D196 WeakPolarHBondContact O-CB 3.27Å; F192-D196 PolarHBondContact O-N 2.95Å; D196-K199 PolarHBondContact O-N 3.04Å; D196-G200 PolarHBondContact O-N 3.33Å
197T83.5Confident82.8Confident88 Ų8873.5 Ų73.554%0.5441%0.405SS..Hα-helixtrans-61.1-48.2172.4-55.80000111.4G193 K199 G200 M201G193-T197 WeakPolarHBondContact O-CB 3.35Å; G193-T197 PolarHBondContact O-N 3.48Å; G193-T197 PolarHBondContact O-OG1 3.22Å; T197-K199 VanDerWaalsContact C-N 3.31Å; T197-K199 PolarHBondContact O-N 3.36Å; T197-G200 PolarHBondContact O-N 3.41Å; T197-G200 VanDerWaalsContact O-N 3.12Å; T197-M201 HydrophobicContact CG2-SD 4.2Å; T197-M201 WeakPolarHBondContact O-CG 3.49Å; T197-M201 PolarHBondContact O-N 2.9Å; T197-M201 VanDerWaalsContact O-N 3.16Å
198A83Confident81.7Confident24 Ų2471.9 Ų71.920%0.19840%0.402CS..Hα-helixtrans-60.5-40.6179.800000111.7V194 Y195 M201 L202 I216V194-A198 WeakPolarHBondContact O-CB 3.28Å; V194-A198 PolarHBondContact O-N 2.84Å; Y195-A198 PolarHBondContact O-N 2.96Å; A198-M201 PolarHBondContact O-N 3.44Å; A198-L202 WeakPolarHBondContact O-CG 3.29Å; A198-I216 HydrophobicContact CB-CG2 4.11Å
199K75.2Confident81.1Confident82 Ų8274.6 Ų74.636%0.35742%0.418SS..Hα-helixtrans-64.7-38.7174.4-84.3-168.4162.4177.30113.1Y195 D196 T197 M201 L202Y195-K199 HydrophobicContact CD1-CD 4.01Å; Y195-K199 HydrophobicContact CD1-CG 4.36Å; Y195-K199 HydrophobicContact CE1-CD 3.46Å; Y195-K199 VanDerWaalsContact CE1-CD 3.46Å; Y195-K199 HydrophobicContact CE1-CG 4.1Å; Y195-K199 VanDerWaalsContact CE1-NZ 3.35Å; Y195-K199 WeakPolarHBondContact O-CB 3.17Å; Y195-K199 PolarHBondContact O-N 3.33Å; Y195-K199 WeakPolarHBondContact OH-CE 3.45Å; Y195-K199 PolarHBondContact OH-NZ 2.96Å; D196-K199 PolarHBondContact O-N 3.04Å; T197-K199 VanDerWaalsContact C-N 3.31Å; T197-K199 PolarHBondContact O-N 3.36Å; K199-M201 PolarHBondContact O-N 2.93Å; K199-L202 PolarHBondContact O-N 2.91Å
200G76.7Confident80.5Confident69 Ų6980 Ų8071%0.71144%0.442SS*.Hα-helixtrans-66.7-22.9177.500000114D196 T197D196-G200 PolarHBondContact O-N 3.33Å; T197-G200 PolarHBondContact O-N 3.41Å; T197-G200 VanDerWaalsContact O-N 3.12Å
201M81.1Confident79.8Confident155 Ų15584.9 Ų84.976%0.76446%0.46SS*.THydrogen-bonded Turntrans-87-9177.4-65.117672.800113.7T197 A198 K199T197-M201 HydrophobicContact CG2-SD 4.2Å; T197-M201 WeakPolarHBondContact O-CG 3.49Å; T197-M201 PolarHBondContact O-N 2.9Å; T197-M201 VanDerWaalsContact O-N 3.16Å; A198-M201 PolarHBondContact O-N 3.44Å; K199-M201 PolarHBondContact O-N 2.93Å
202L77.4Confident79.3Confident42 Ų4284.7 Ų84.722%0.2247%0.465CS..  trans-82131.9-179.6-68164.6000110.3A198 K199 D204 P205 V208 I216A198-L202 WeakPolarHBondContact O-CG 3.29Å; K199-L202 PolarHBondContact O-N 2.91Å; L202-D204 VanDerWaalsContact C-N 3.29Å; L202-D204 PolarHBondContact O-N 2.84Å; L202-P205 HydrophobicContact CB-CG 4.35Å; L202-V208 HydrophobicContact CD1-CG2 4.06Å; L202-I216 HydrophobicContact CD1-CD1 3.79Å; L202-I216 HydrophobicContact CD2-CD1 3.69Å; L202-I216 HydrophobicContact CG-CD1 4.28Å
203P72.1Confident78.9Confident139 Ų13984.9 Ų84.990%0.90347%0.473SS*.SBendtrans-64.8-33-177.823.6-32.3000112.6
204D75.2Confident78.7Confident63 Ų6386.8 Ų86.834%0.33747%0.471SS..  trans-138.795.6169.8-173.3-17.3000109.9L202 K206 N207 V208L202-D204 VanDerWaalsContact C-N 3.29Å; L202-D204 PolarHBondContact O-N 2.84Å; D204-K206 PolarHBondContact O-N 3.33Å; D204-K206 VanDerWaalsContact O-N 3.11Å; D204-K206 WeakPolarHBondContact OD1-CA 3.4Å; D204-K206 WeakPolarHBondContact OD1-CB 3.27Å; D204-K206 PolarHBondContact OD1-N 3.28Å; D204-N207 HydrophobicContact CB-CB 4.46Å; D204-N207 PolarHBondContact O-N 3.43Å; D204-N207 PolarHBondContact OD1-N 2.85Å; D204-N207 VanDerWaalsContact OD1-N 3.14Å; D204-N207 WeakPolarHBondContact OD2-CB 3.26Å; D204-N207 PolarHBondContact OD2-ND2 3.07Å; D204-V208 WeakPolarHBondContact O-CG2 3.38Å
205P68Low78.5Confident72 Ų7288.1 Ų88.147%0.46848%0.475SS..SBendtrans-63.6-14.3179.8-2232.8000114.4L202L202-P205 HydrophobicContact CB-CG 4.35Å
206K70.2Confident78.5Confident191 Ų19186.9 Ų86.983%0.8347%0.472SS*.SBendtrans-94.5-30.8-177.7-64.3-178.5-178.9176.90112.1D204D204-K206 PolarHBondContact O-N 3.33Å; D204-K206 VanDerWaalsContact O-N 3.11Å; D204-K206 WeakPolarHBondContact OD1-CA 3.4Å; D204-K206 WeakPolarHBondContact OD1-CB 3.27Å; D204-K206 PolarHBondContact OD1-N 3.28Å
207N74.1Confident78.8Confident133 Ų13386 Ų8671%0.71147%0.471SS*.SBendtrans-110.741.5-177.2-63.1-48000113.5D204D204-N207 HydrophobicContact CB-CB 4.46Å; D204-N207 PolarHBondContact O-N 3.43Å; D204-N207 PolarHBondContact OD1-N 2.85Å; D204-N207 VanDerWaalsContact OD1-N 3.14Å; D204-N207 WeakPolarHBondContact OD2-CB 3.26Å; D204-N207 PolarHBondContact OD2-ND2 3.07Å
208V72.5Confident79.2Confident40 Ų4083 Ų8324%0.24245%0.451CS..  trans-81.4128.2175.5-174.10000109.7L202 D204 I210 V212L202-V208 HydrophobicContact CD1-CG2 4.06Å; D204-V208 WeakPolarHBondContact O-CG2 3.38Å; V208-I210 PolarHBondContact O-N 2.77Å; V208-V212 HydrophobicContact CG1-CB 3.69Å; V208-V212 HydrophobicContact CG1-CG1 3.65Å
209H81Confident79.6Confident129 Ų12985.2 Ų85.260%0.59747%0.465SS*.  trans-53.6136.8173.4-174.4-92000110.8F211 V212 S213H209-F211 WeakPolarHBondContact ND1-CB 3.45Å; H209-F211 PolarHBondContact ND1-N 3.12Å; H209-F211 PolarHBondContact O-N 3.13Å; H209-V212 HydrophobicContact CB-CG2 4.31Å; H209-V212 WeakPolarHBondContact O-CA 3.44Å; H209-V212 WeakPolarHBondContact O-CB 3.32Å; H209-V212 PolarHBondContact O-N 3.39Å; H209-S213 PolarHBondContact O-N 3.38Å
210I80.7Confident80.4Confident138 Ų13881.5 Ų81.571%0.70845%0.449SS*.Hα-helixtrans-52-39.4-172.5-169.6169.2000113V208 S213 W214V208-I210 PolarHBondContact O-N 2.77Å; I210-S213 PolarHBondContact O-N 2.93Å; I210-W214 WeakPolarHBondContact O-CB 3.38Å; I210-W214 PolarHBondContact O-N 3.28Å
211F81.5Confident81.2Confident118 Ų11880 Ų8052%0.51843%0.426SS..Hα-helixtrans-63.9-41.2177.4-174-103.3000112.6H209 W214 M215H209-F211 WeakPolarHBondContact ND1-CB 3.45Å; H209-F211 PolarHBondContact ND1-N 3.12Å; H209-F211 PolarHBondContact O-N 3.13Å; F211-W214 PolarHBondContact O-N 3.14Å; F211-M215 HydrophobicContact CD1-CE 3.57Å; F211-M215 HydrophobicContact CD1-CG 4.34Å; F211-M215 HydrophobicContact CD1-SD 4.02Å; F211-M215 HydrophobicContact CE1-CE 3.51Å; F211-M215 HydrophobicContact CE1-CG 4.01Å; F211-M215 HydrophobicContact CE1-SD 3.4Å; F211-M215 WeakPolarHBondContact CE1-SD 3.46Å; F211-M215 HydrophobicContact CZ-CG 4.24Å; F211-M215 HydrophobicContact CZ-SD 3.94Å; F211-M215 WeakPolarHBondContact O-CG 3.43Å; F211-M215 PolarHBondContact O-N 3.42Å
212V82.3Confident81.8Confident57 Ų5773.7 Ų73.735%0.34540%0.399SS..Hα-helixtrans-68.1-43.3177.6177.90000110.1V208 H209 W214 M215 I216V208-V212 HydrophobicContact CG1-CB 3.69Å; V208-V212 HydrophobicContact CG1-CG1 3.65Å; H209-V212 HydrophobicContact CB-CG2 4.31Å; H209-V212 WeakPolarHBondContact O-CA 3.44Å; H209-V212 WeakPolarHBondContact O-CB 3.32Å; H209-V212 PolarHBondContact O-N 3.39Å; V212-W214 VanDerWaalsContact C-N 3.3Å; V212-W214 PolarHBondContact O-N 3.35Å; V212-M215 HydrophobicContact CB-CE 4.5Å; V212-M215 HydrophobicContact CG2-CE 4.18Å; V212-M215 PolarHBondContact O-N 2.92Å; V212-I216 HydrophobicContact CG1-CD1 3.92Å; V212-I216 VanDerWaalsContact O-CG1 3.28Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 3.5Å
213S79.5Confident82.7Confident59 Ų5974.6 Ų74.641%0.41341%0.406SS..Hα-helixtrans-60.2-40.9174.6-179.10000111.9H209 I210 I216 A217H209-S213 PolarHBondContact O-N 3.38Å; I210-S213 PolarHBondContact O-N 2.93Å; S213-I216 PolarHBondContact O-N 3.32Å; S213-A217 WeakPolarHBondContact O-CB 3.26Å; S213-A217 PolarHBondContact O-N 3.42Å
214W82.9Confident83.8Confident71 Ų7168 Ų6827%0.26936%0.363SS..Hα-helixtrans-63.7-46.7175.1-178.587.5000111.8I210 F211 V212 I216 A217 Q218I210-W214 WeakPolarHBondContact O-CB 3.38Å; I210-W214 PolarHBondContact O-N 3.28Å; F211-W214 PolarHBondContact O-N 3.14Å; V212-W214 VanDerWaalsContact C-N 3.3Å; V212-W214 PolarHBondContact O-N 3.35Å; W214-I216 VanDerWaalsContact C-N 3.34Å; W214-I216 PolarHBondContact O-N 3.11Å; W214-A217 PolarHBondContact O-N 2.97Å; W214-Q218 HydrophobicContact CD2-CG 3.91Å; W214-Q218 HydrophobicContact CE3-CG 4.14Å; W214-Q218 HydrophobicContact CH2-CG 3.97Å; W214-Q218 HydrophobicContact CZ2-CG 3.72Å; W214-Q218 HydrophobicContact CZ3-CG 4.17Å; W214-Q218 WeakPolarHBondContact O-CG 3.18Å; W214-Q218 PolarHBondContact O-N 3.3Å
215M86Confident84.8Confident77 Ų7765.5 Ų65.538%0.37935%0.352SS..Hα-helixtrans-59.1-43.5176.2-74.3-168-63.200112F211 V212 A217 Q218 S219F211-M215 HydrophobicContact CD1-CE 3.57Å; F211-M215 HydrophobicContact CD1-CG 4.34Å; F211-M215 HydrophobicContact CD1-SD 4.02Å; F211-M215 HydrophobicContact CE1-CE 3.51Å; F211-M215 HydrophobicContact CE1-CG 4.01Å; F211-M215 HydrophobicContact CE1-SD 3.4Å; F211-M215 WeakPolarHBondContact CE1-SD 3.46Å; F211-M215 HydrophobicContact CZ-CG 4.24Å; F211-M215 HydrophobicContact CZ-SD 3.94Å; F211-M215 WeakPolarHBondContact O-CG 3.43Å; F211-M215 PolarHBondContact O-N 3.42Å; V212-M215 HydrophobicContact CB-CE 4.5Å; V212-M215 HydrophobicContact CG2-CE 4.18Å; V212-M215 PolarHBondContact O-N 2.92Å; M215-A217 PolarHBondContact O-N 2.93Å; M215-Q218 PolarHBondContact O-N 3.33Å; M215-S219 WeakPolarHBondContact O-CB 3.13Å; M215-S219 PolarHBondContact O-N 2.88Å; M215-S219 PolarHBondContact O-OG 3.4Å; M215-S219 VanDerWaalsContact O-OG 3.07Å
216I85.9Confident86.2Confident35 Ų3565.3 Ų65.318%0.17935%0.347CS..Hα-helixtrans-61.1-46.6175.9-67.8165.1000110.3A198 L202 V212 S213 W214 Q218 S219 V220A198-I216 HydrophobicContact CB-CG2 4.11Å; L202-I216 HydrophobicContact CD1-CD1 3.79Å; L202-I216 HydrophobicContact CD2-CD1 3.69Å; L202-I216 HydrophobicContact CG-CD1 4.28Å; V212-I216 HydrophobicContact CG1-CD1 3.92Å; V212-I216 VanDerWaalsContact O-CG1 3.28Å; V212-I216 WeakPolarHBondContact O-CG1 3.25Å; V212-I216 PolarHBondContact O-N 3.5Å; S213-I216 PolarHBondContact O-N 3.32Å; W214-I216 VanDerWaalsContact C-N 3.34Å; W214-I216 PolarHBondContact O-N 3.11Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 3.49Å; I216-S219 PolarHBondContact O-N 2.9Å; I216-V220 HydrophobicContact CG2-CG2 4.17Å; I216-V220 WeakPolarHBondContact O-CB 3.43Å; I216-V220 WeakPolarHBondContact O-CG2 3.19Å; I216-V220 PolarHBondContact O-N 3.03Å
217A86.6Confident87.5Confident25 Ų2559.8 Ų59.821%0.20733%0.329CS..Hα-helixtrans-60.8-39.2177.700000112.3S213 W214 M215 T221S213-A217 WeakPolarHBondContact O-CB 3.26Å; S213-A217 PolarHBondContact O-N 3.42Å; W214-A217 PolarHBondContact O-N 2.97Å; M215-A217 PolarHBondContact O-N 2.93Å; A217-T221 VanDerWaalsContact O-CB 3.28Å; A217-T221 WeakPolarHBondContact O-CB 3.34Å; A217-T221 PolarHBondContact O-N 3.42Å; A217-T221 PolarHBondContact O-OG1 2.88Å
218Q90.7Very high88.6Confident23 Ų2354.1 Ų54.111%0.10730%0.3CS..Hα-helixtrans-67.5-43.5174.6-65.5-44.9-54.700111.9W214 M215 I216 T221 A222 A285W214-Q218 HydrophobicContact CD2-CG 3.91Å; W214-Q218 HydrophobicContact CE3-CG 4.14Å; W214-Q218 HydrophobicContact CH2-CG 3.97Å; W214-Q218 HydrophobicContact CZ2-CG 3.72Å; W214-Q218 HydrophobicContact CZ3-CG 4.17Å; W214-Q218 WeakPolarHBondContact O-CG 3.18Å; W214-Q218 PolarHBondContact O-N 3.3Å; M215-Q218 PolarHBondContact O-N 3.33Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 3.49Å; Q218-T221 WeakPolarHBondContact O-CB 3.5Å; Q218-T221 PolarHBondContact O-N 3.4Å; Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.32Å; Q218-A285 VanDerWaalsContact NE2-CB 3.3Å
219S91.9Very high89.8Confident72 Ų7252.4 Ų52.450%0.50329%0.289SS..Hα-helixtrans-61-47.4176.8-66.60000111.7M215 I216 T221 A222 V223M215-S219 WeakPolarHBondContact O-CB 3.13Å; M215-S219 PolarHBondContact O-N 2.88Å; M215-S219 PolarHBondContact O-OG 3.4Å; M215-S219 VanDerWaalsContact O-OG 3.07Å; I216-S219 PolarHBondContact O-N 2.9Å; S219-T221 VanDerWaalsContact C-N 3.31Å; S219-T221 PolarHBondContact O-N 3.07Å; S219-A222 PolarHBondContact O-N 3.45Å; S219-V223 WeakPolarHBondContact O-CG2 3.42Å; S219-V223 PolarHBondContact O-N 3.46Å
220V92.4Very high90.6Very high3 Ų347.1 Ų47.12%0.01827%0.266CS..Hα-helixtrans-58.6-45.2174.7172.30000110.4Y191 V194 Y195 I216 A222 V223 A224Y191-V220 HydrophobicContact CD1-CG1 4.35Å; Y191-V220 HydrophobicContact CD2-CG1 3.65Å; Y191-V220 HydrophobicContact CE1-CG1 4.41Å; Y191-V220 HydrophobicContact CE2-CG1 3.72Å; Y191-V220 HydrophobicContact CG-CG1 3.98Å; Y191-V220 WeakPolarHBondContact O-CG1 3.39Å; V194-V220 HydrophobicContact CB-CG1 4.42Å; V194-V220 HydrophobicContact CG1-CB 4.45Å; V194-V220 HydrophobicContact CG1-CG1 4.48Å; V194-V220 HydrophobicContact CG1-CG2 3.99Å; Y195-V220 HydrophobicContact CD2-CG1 4.31Å; Y195-V220 HydrophobicContact CD2-CG2 4.13Å; I216-V220 HydrophobicContact CG2-CG2 4.17Å; I216-V220 WeakPolarHBondContact O-CB 3.43Å; I216-V220 WeakPolarHBondContact O-CG2 3.19Å; I216-V220 PolarHBondContact O-N 3.03Å; V220-A222 VanDerWaalsContact C-N 3.35Å; V220-A222 PolarHBondContact O-N 2.87Å; V220-V223 PolarHBondContact O-N 2.89Å; V220-A224 VanDerWaalsContact O-CB 3.31Å; V220-A224 WeakPolarHBondContact O-CB 3.27Å; V220-A224 PolarHBondContact O-N 3.1Å
221T92.8Very high91.5Very high37 Ų3742.6 Ų42.623%0.22724%0.241CC..Hα-helixtrans-62.8-41.2178.6-61.50000111.8A217 Q218 S219 G225A217-T221 VanDerWaalsContact O-CB 3.28Å; A217-T221 WeakPolarHBondContact O-CB 3.34Å; A217-T221 PolarHBondContact O-N 3.42Å; A217-T221 PolarHBondContact O-OG1 2.88Å; Q218-T221 WeakPolarHBondContact O-CB 3.5Å; Q218-T221 PolarHBondContact O-N 3.4Å; S219-T221 VanDerWaalsContact C-N 3.31Å; S219-T221 PolarHBondContact O-N 3.07Å; T221-G225 PolarHBondContact O-N 3.35Å
222A94.9Very high92.2Very high23 Ų2338.4 Ų38.419%0.1923%0.225CC..Hα-helixtrans-66.2-47.8177.900000111.2Q218 S219 V220 G225 L226 V278Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.32Å; S219-A222 PolarHBondContact O-N 3.45Å; V220-A222 VanDerWaalsContact C-N 3.35Å; V220-A222 PolarHBondContact O-N 2.87Å; A222-G225 CarbonylContact O-C 3.58Å; A222-G225 PolarHBondContact O-N 2.96Å; A222-L226 WeakPolarHBondContact O-CG 3.45Å; A222-L226 PolarHBondContact O-N 2.91Å; A222-V278 HydrophobicContact CB-CG1 4.14Å; A222-V278 HydrophobicContact CB-CG2 4.37Å
223V95.8Very high93Very high61 Ų6135.7 Ų35.737%0.3721%0.208SC..Hα-helixtrans-61.6-50178.1174.30000111V194 S219 V220 G225 L226 V227V194-V223 HydrophobicContact CG2-CG1 3.87Å; S219-V223 WeakPolarHBondContact O-CG2 3.42Å; S219-V223 PolarHBondContact O-N 3.46Å; V220-V223 PolarHBondContact O-N 2.89Å; V223-G225 PolarHBondContact O-N 3.39Å; V223-L226 PolarHBondContact O-N 2.97Å; V223-L226 VanDerWaalsContact O-N 3.09Å; V223-V227 HydrophobicContact CG1-CG2 4.37Å; V223-V227 WeakPolarHBondContact O-CG2 3.04Å; V223-V227 PolarHBondContact O-N 2.88Å
224A95.9Very high93.9Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-59.6-38.9176.600000112Y187 A190 Y191 V220 S228Y187-A224 HydrophobicContact CD2-CB 3.83Å; Y187-A224 WeakPolarHBondContact CD2-O 3.26Å; Y187-A224 HydrophobicContact CE2-CB 3.69Å; A190-A224 HydrophobicContact CB-CB 4.03Å; Y191-A224 HydrophobicContact CD2-CB 4.33Å; V220-A224 VanDerWaalsContact O-CB 3.31Å; V220-A224 WeakPolarHBondContact O-CB 3.27Å; V220-A224 PolarHBondContact O-N 3.1Å; A224-S228 PolarHBondContact O-N 3.21Å; A224-S228 VanDerWaalsContact O-N 3.12Å; A224-S228 PolarHBondContact O-OG 2.69Å
225G96Very high94.6Very high11 Ų1130.7 Ų30.711%0.11318%0.18CC..Hα-helixtrans-62.7-40.2174.400000113T221 A222 V223 S228 Y229T221-G225 PolarHBondContact O-N 3.35Å; A222-G225 CarbonylContact O-C 3.58Å; A222-G225 PolarHBondContact O-N 2.96Å; V223-G225 PolarHBondContact O-N 3.39Å; G225-S228 PolarHBondContact O-OG 2.93Å; G225-Y229 WeakPolarHBondContact O-CA 3.48Å; G225-Y229 VanDerWaalsContact O-CB 3.29Å; G225-Y229 WeakPolarHBondContact O-CB 3.23Å; G225-Y229 PolarHBondContact O-N 3.43Å
226L96.9Very high95.2Very high68 Ų6827.8 Ų27.836%0.35617%0.165SC..Hα-helixtrans-69.8-45.3177.1-72.9170.9000111.9A222 V223 S228 Y229 F271 A274 V278A222-L226 WeakPolarHBondContact O-CG 3.45Å; A222-L226 PolarHBondContact O-N 2.91Å; V223-L226 PolarHBondContact O-N 2.97Å; V223-L226 VanDerWaalsContact O-N 3.09Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 3.49Å; L226-Y229 VanDerWaalsContact O-CB 3.28Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.28Å; L226-Y229 VanDerWaalsContact O-N 3.13Å; L226-F271 WeakPolarHBondContact O-CE1 3.45Å; L226-A274 HydrophobicContact CD2-CB 3.91Å; L226-V278 HydrophobicContact CD2-CG2 4.3Å; L226-V278 HydrophobicContact CG-CG2 4.38Å
227V97.3Very high95.7Very high76 Ų7626.1 Ų26.146%0.46116%0.156SC..Hα-helixtrans-60.6-40.8179.41730000111.4I186 A190 V223I186-V227 HydrophobicContact CG2-CG1 3.87Å; A190-V227 HydrophobicContact CB-CB 4.05Å; A190-V227 HydrophobicContact CB-CG1 4.01Å; A190-V227 HydrophobicContact CB-CG2 4.35Å; V223-V227 HydrophobicContact CG1-CG2 4.37Å; V223-V227 WeakPolarHBondContact O-CG2 3.04Å; V223-V227 PolarHBondContact O-N 2.88Å
228S97.4Very high96.3Very high14 Ų1425 Ų2510%0.09815%0.147CC..THydrogen-bonded Turntrans-85.7-7178.359.60000114.2A224 G225 L226 F231 D232A224-S228 PolarHBondContact O-N 3.21Å; A224-S228 VanDerWaalsContact O-N 3.12Å; A224-S228 PolarHBondContact O-OG 2.69Å; G225-S228 PolarHBondContact O-OG 2.93Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 3.49Å; S228-F231 WeakPolarHBondContact O-CB 2.96Å; S228-F231 PolarHBondContact O-N 3.38Å; S228-F231 VanDerWaalsContact O-N 3.11Å; S228-D232 PolarHBondContact O-N 3.47Å
229Y97.7Very high96.6Very high3 Ų323.9 Ų23.91%0.01214%0.142CC..Hα-helixtrans-59.8-39.7-172.3-158.9-96.8000114.3K33 Q37 G225 L226 F231 D232 T233 F270 F271 K272 G273 A274 N277K33-Y229 WeakPolarHBondContact CE-OH 3.3Å; Q37-Y229 PolarHBondContact NE2-OH 2.8Å; G225-Y229 WeakPolarHBondContact O-CA 3.48Å; G225-Y229 VanDerWaalsContact O-CB 3.29Å; G225-Y229 WeakPolarHBondContact O-CB 3.23Å; G225-Y229 PolarHBondContact O-N 3.43Å; L226-Y229 VanDerWaalsContact O-CB 3.28Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.28Å; L226-Y229 VanDerWaalsContact O-N 3.13Å; Y229-F231 PolarHBondContact O-N 2.79Å; Y229-D232 PolarHBondContact O-N 3.5Å; Y229-T233 WeakPolarHBondContact CE1-OG1 3.25Å; Y229-T233 PolarHBondContact O-N 3.32Å; Y229-T233 PolarHBondContact O-OG1 3.06Å; Y229-F270 WeakPolarHBondContact CD1-O 3.33Å; Y229-F270 WeakPolarHBondContact CE1-O 3.44Å; Y229-F271 HydrophobicContact CD1-CD1 4.36Å; Y229-K272 WeakPolarHBondContact CE1-O 3.3Å; Y229-K272 PolarHBondContact OH-O 2.85Å; Y229-G273 WeakPolarHBondContact OH-CA 3.5Å; Y229-G273 PolarHBondContact OH-O 3.21Å; Y229-A274 HydrophobicContact CD1-CB 3.79Å; Y229-A274 HydrophobicContact CD2-CB 4.34Å; Y229-A274 HydrophobicContact CE1-CB 3.8Å; Y229-A274 HydrophobicContact CE2-CB 4.34Å; Y229-A274 HydrophobicContact CG-CB 4.07Å; Y229-A274 PolarHBondContact OH-N 3.37Å; Y229-N277 HydrophobicContact CD2-CB 4.3Å; Y229-N277 HydrophobicContact CE2-CB 3.61Å
230P98.2Very high96.8Very high18 Ų1820.7 Ų20.712%0.11712%0.119CC..Hα-helixtrans-55.2-37.7175.4-30.639.7000113.8T233 V234 W258 F270 F271P230-T233 PolarHBondContact O-N 3.11Å; P230-V234 PolarHBondContact O-N 3.26Å; P230-W258 HydrophobicContact CB-CH2 3.53Å; P230-W258 HydrophobicContact CB-CZ3 3.73Å; P230-F270 HydrophobicContact CB-CB 3.92Å; P230-F270 HydrophobicContact CB-CD1 4.22Å; P230-F270 HydrophobicContact CB-CG 4.22Å; P230-F270 HydrophobicContact CG-CB 4.09Å; P230-F271 HydrophobicContact CG-CE1 4.04Å; P230-F271 HydrophobicContact CG-CE2 4.02Å; P230-F271 HydrophobicContact CG-CZ 3.61Å
231F98.2Very high97.1Very high43 Ų4320.9 Ų20.919%0.18912%0.12CC..Hα-helixtrans-66.8-40.4176.1-66.2-99.5000111.8V179 Q182 I186 S228 Y229 R235 W258V179-F231 HydrophobicContact CG2-CB 4.12Å; V179-F231 HydrophobicContact CG2-CD1 3.82Å; V179-F231 HydrophobicContact CG2-CG 4.41Å; Q182-F231 HydrophobicContact CB-CD1 3.81Å; Q182-F231 HydrophobicContact CB-CE1 3.82Å; I186-F231 HydrophobicContact CB-CE2 4.42Å; I186-F231 HydrophobicContact CG1-CE1 4.43Å; I186-F231 HydrophobicContact CG1-CE2 3.96Å; I186-F231 HydrophobicContact CG1-CZ 3.9Å; I186-F231 HydrophobicContact CG2-CE2 4.26Å; S228-F231 WeakPolarHBondContact O-CB 2.96Å; S228-F231 PolarHBondContact O-N 3.38Å; S228-F231 VanDerWaalsContact O-N 3.11Å; Y229-F231 PolarHBondContact O-N 2.79Å; F231-R235 VanDerWaalsContact O-CB 3.27Å; F231-R235 WeakPolarHBondContact O-CB 3.29Å; F231-R235 PolarHBondContact O-N 3.41Å; F231-W258 HydrophobicContact CD1-CZ2 4.01Å; F231-W258 HydrophobicContact CD2-CH2 4.39Å; F231-W258 HydrophobicContact CE1-CZ2 4.22Å; F231-W258 HydrophobicContact CG-CH2 4.42Å; F231-W258 HydrophobicContact CG-CZ2 4.16Å
232D97.5Very high97.2Very high31 Ų3119.1 Ų19.117%0.16611%0.109CC..Hα-helixtrans-65.6-39.2174.1-178.469.9000110.9K33 Q37 S228 Y229 R235 R236K33-D232 IonicContact NZ-OD2 3.15Å; K33-D232 PolarHBondContact NZ-OD2 3.24Å; Q37-D232 PolarHBondContact NE2-OD2 3Å; Q37-D232 PolarHBondContact OE1-OD2 2.93Å; S228-D232 PolarHBondContact O-N 3.47Å; Y229-D232 PolarHBondContact O-N 3.5Å; D232-R235 WeakPolarHBondContact O-CB 3.5Å; D232-R235 PolarHBondContact O-N 3.1Å; D232-R236 VanDerWaalsContact O-CG 3.31Å; D232-R236 WeakPolarHBondContact O-CG 3.28Å; D232-R236 PolarHBondContact O-N 3.35Å; D232-R236 IonicContact OD1-CZ 2.7Å; D232-R236 IonicContact OD1-NE 3.27Å; D232-R236 PolarHBondContact OD1-NE 3.49Å; D232-R236 IonicContact OD1-NH2 3.64Å; D232-R236 PolarHBondContact OD1-NH2 2.93Å; D232-R236 VanDerWaalsContact OD1-NH2 3.09Å
233T98.1Very high97.1Very high0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-59.9-51.8175.7-64.10000111.4Q37 Y229 P230 R235 R236 R237 I261 F270Q37-T233 HydrophobicContact CG-CG2 4.16Å; Q37-T233 VanDerWaalsContact NE2-CA 3.26Å; Q37-T233 PolarHBondContact NE2-OG1 3.23Å; Y229-T233 WeakPolarHBondContact CE1-OG1 3.25Å; Y229-T233 PolarHBondContact O-N 3.32Å; Y229-T233 PolarHBondContact O-OG1 3.06Å; P230-T233 PolarHBondContact O-N 3.11Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 3.01Å; T233-R236 PolarHBondContact O-N 3.1Å; T233-R237 HydrophobicContact CG2-CG 4.33Å; T233-R237 VanDerWaalsContact O-CG 3.23Å; T233-R237 WeakPolarHBondContact O-CG 3.21Å; T233-R237 PolarHBondContact O-N 3.06Å; T233-I261 HydrophobicContact CG2-CD1 4.49Å; T233-F270 WeakPolarHBondContact CB-O 3.38Å; T233-F270 PolarHBondContact OG1-O 3.41Å
234V98.1Very high97Very high0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-60.9-40.8177174.20000111.7V179 P230 R236 R237 M238 T254 C257 W258 I261 F270V179-V234 HydrophobicContact CG1-CG1 4.29Å; V179-V234 HydrophobicContact CG2-CB 4.2Å; V179-V234 HydrophobicContact CG2-CG1 4.11Å; P230-V234 PolarHBondContact O-N 3.26Å; V234-R236 PolarHBondContact O-N 3.05Å; V234-R237 PolarHBondContact O-N 3.26Å; V234-M238 HydrophobicContact CG1-CG 4.39Å; V234-M238 WeakPolarHBondContact O-CG 3.47Å; V234-M238 PolarHBondContact O-N 3.42Å; V234-T254 HydrophobicContact CG1-CG2 3.99Å; V234-C257 HydrophobicContact CG1-CB 3.94Å; V234-W258 HydrophobicContact CB-CZ2 4.3Å; V234-W258 HydrophobicContact CG2-CD2 3.6Å; V234-W258 HydrophobicContact CG2-CE3 3.88Å; V234-W258 HydrophobicContact CG2-CG 4.08Å; V234-W258 HydrophobicContact CG2-CH2 4.16Å; V234-W258 HydrophobicContact CG2-CZ2 3.9Å; V234-W258 HydrophobicContact CG2-CZ3 4.15Å; V234-I261 HydrophobicContact CG2-CD1 3.97Å; V234-F270 HydrophobicContact CG2-CD1 4.21Å; V234-F270 HydrophobicContact CG2-CE1 3.8Å
235R98.2Very high96.8Very high24 Ų2423.4 Ų23.49%0.09113%0.127CC..Hα-helixtrans-52.6-53.6173.3-179.8-168.5-179-176.9-2.9111.2Y132 D135 V179 S180 F231 D232 T233 M238 M239Y132-R235 VanDerWaalsContact CE2-NH2 3.34Å; Y132-R235 WeakPolarHBondContact OH-CG 3.49Å; Y132-R235 PolarHBondContact OH-NE 2.91Å; D135-R235 IonicContact OD2-CZ 3.83Å; D135-R235 IonicContact OD2-NH1 3.85Å; D135-R235 IonicContact OD2-NH2 3.34Å; D135-R235 PolarHBondContact OD2-NH2 2.95Å; V179-R235 HydrophobicContact CG1-CB 3.85Å; S180-R235 VanDerWaalsContact CB-CD 3.44Å; F231-R235 VanDerWaalsContact O-CB 3.27Å; F231-R235 WeakPolarHBondContact O-CB 3.29Å; F231-R235 PolarHBondContact O-N 3.41Å; D232-R235 WeakPolarHBondContact O-CB 3.5Å; D232-R235 PolarHBondContact O-N 3.1Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 3.01Å; R235-M238 PolarHBondContact O-N 3.28Å; R235-M239 HydrophobicContact CG-CE 4.08Å; R235-M239 WeakPolarHBondContact O-CG 3.37Å; R235-M239 PolarHBondContact O-N 3.46Å; R235-M239 VanDerWaalsContact O-N 3.12Å
236R98Very high96.6Very high16 Ų1625.8 Ų25.86%0.0615%0.152CC..Hα-helixtrans-67.5-37.6-177.2-57.5-52.2165.9173.9-3.6111.9L34 V38 T139 D232 T233 V234 M238 M239 M240L34-R236 HydrophobicContact CD2-CG 4.23Å; V38-R236 HydrophobicContact CG1-CB 3.45Å; V38-R236 VanDerWaalsContact CG1-CB 3.45Å; V38-R236 HydrophobicContact CG1-CG 4.44Å; T139-R236 HydrophobicContact CG2-CB 4.15Å; T139-R236 HydrophobicContact CG2-CG 4.31Å; T139-R236 PolarHBondContact OG1-NH1 3.27Å; D232-R236 VanDerWaalsContact O-CG 3.31Å; D232-R236 WeakPolarHBondContact O-CG 3.28Å; D232-R236 PolarHBondContact O-N 3.35Å; D232-R236 IonicContact OD1-CZ 2.7Å; D232-R236 IonicContact OD1-NE 3.27Å; D232-R236 PolarHBondContact OD1-NE 3.49Å; D232-R236 IonicContact OD1-NH2 3.64Å; D232-R236 PolarHBondContact OD1-NH2 2.93Å; D232-R236 VanDerWaalsContact OD1-NH2 3.09Å; T233-R236 PolarHBondContact O-N 3.1Å; V234-R236 PolarHBondContact O-N 3.05Å; R236-M238 VanDerWaalsContact C-N 3.34Å; R236-M238 PolarHBondContact O-N 2.89Å; R236-M239 WeakPolarHBondContact O-CB 3.38Å; R236-M239 PolarHBondContact O-N 3.25Å; R236-M240 WeakPolarHBondContact O-CG 3.09Å; R236-M240 PolarHBondContact O-N 2.91Å
237R97.6Very high96.2Very high0 Ų027.8 Ų27.80%018%0.178CC..Hα-helixtrans-63.1-37.7175.8-67.3-61-17282.63112.9Q37 T233 V234 M240 Q241 Y251 I261 E265Q37-R237 PolarHBondContact O-NE 3.11Å; Q37-R237 PolarHBondContact O-NH2 3.3Å; T233-R237 HydrophobicContact CG2-CG 4.33Å; T233-R237 VanDerWaalsContact O-CG 3.23Å; T233-R237 WeakPolarHBondContact O-CG 3.21Å; T233-R237 PolarHBondContact O-N 3.06Å; V234-R237 PolarHBondContact O-N 3.26Å; R237-M240 PolarHBondContact O-N 3.5Å; R237-Q241 PolarHBondContact O-NE2 3.23Å; R237-Q241 VanDerWaalsContact O-NE2 3.12Å; R237-Y251 HydrophobicContact CB-CD2 4.22Å; R237-Y251 HydrophobicContact CB-CE2 3.75Å; R237-Y251 HydrophobicContact CG-CE2 4.43Å; R237-Y251 PolarHBondContact NH1-OH 2.84Å; R237-I261 HydrophobicContact CB-CD1 4.44Å; R237-I261 HydrophobicContact CG-CD1 3.97Å; R237-E265 IonicContact CZ-OE1 3.32Å; R237-E265 IonicContact CZ-OE2 3.85Å; R237-E265 IonicContact NH1-OE1 2.61Å; R237-E265 PolarHBondContact NH1-OE1 2.91Å; R237-E265 IonicContact NH1-OE2 3.68Å; R237-E265 IonicContact NH2-OE1 3.19Å; R237-E265 PolarHBondContact NH2-OE1 3.16Å; R237-E265 IonicContact NH2-OE2 3.63Å; R237-E265 PolarHBondContact NH2-OE2 2.89Å
238M98Very high95.9Very high1 Ų128.2 Ų28.21%0.00518%0.178CC..Hα-helixtrans-65.6-41.8172.1-70.1-56.6-57.100112.1Q175 V234 R235 R236 M240 Q241 C257Q175-M238 WeakPolarHBondContact CB-O 3.49Å; Q175-M238 VanDerWaalsContact OE1-CE 3.26Å; V234-M238 HydrophobicContact CG1-CG 4.39Å; V234-M238 WeakPolarHBondContact O-CG 3.47Å; V234-M238 PolarHBondContact O-N 3.42Å; R235-M238 PolarHBondContact O-N 3.28Å; R236-M238 VanDerWaalsContact C-N 3.34Å; R236-M238 PolarHBondContact O-N 2.89Å; M238-M240 PolarHBondContact O-N 2.85Å; M238-Q241 WeakPolarHBondContact O-CB 3.47Å; M238-Q241 PolarHBondContact O-N 2.81Å; M238-C257 HydrophobicContact CG-CB 4.36Å; M238-C257 HydrophobicContact SD-CB 3.69Å
239M97.7Very high95.7Very high0 Ų030.9 Ų30.90%019%0.19CC..Hα-helixtrans-57.7-34.4176-67173.9166.100112.5Y132 D135 F136 T139 R140 Q175 R235 R236 Q241 S242Y132-M239 HydrophobicContact CD1-CE 4.35Å; Y132-M239 HydrophobicContact CE1-CE 3.48Å; Y132-M239 VanDerWaalsContact CE1-CE 3.48Å; Y132-M239 HydrophobicContact CE2-CE 4.18Å; Y132-M239 VanDerWaalsContact OH-CE 3.25Å; Y132-M239 WeakPolarHBondContact OH-CE 3.38Å; D135-M239 HydrophobicContact CB-CE 4.33Å; F136-M239 HydrophobicContact CB-CE 4.48Å; F136-M239 HydrophobicContact CD2-CB 3.93Å; F136-M239 HydrophobicContact CD2-CG 4Å; F136-M239 HydrophobicContact CE2-CB 4.21Å; F136-M239 WeakPolarHBondContact CE2-O 3.49Å; T139-M239 HydrophobicContact CG2-SD 3.98Å; T139-M239 PolarHBondContact OG1-SD 3.23Å; T139-M239 VanDerWaalsContact OG1-SD 3.38Å; R140-M239 PolarHBondContact NH1-O 2.9Å; Q175-M239 WeakPolarHBondContact O-CG 3.21Å; R235-M239 HydrophobicContact CG-CE 4.08Å; R235-M239 WeakPolarHBondContact O-CG 3.37Å; R235-M239 PolarHBondContact O-N 3.46Å; R235-M239 VanDerWaalsContact O-N 3.12Å; R236-M239 WeakPolarHBondContact O-CB 3.38Å; R236-M239 PolarHBondContact O-N 3.25Å; M239-Q241 PolarHBondContact O-N 2.89Å; M239-S242 PolarHBondContact O-N 2.93Å
240M97.2Very high95.6Very high6 Ų633.3 Ų33.33%0.0320%0.202CC..THydrogen-bonded Turntrans-68.2-11177.4-62.3-52.1-65.700114.5V38 A41 A143 R236 R237 M238 R244V38-M240 HydrophobicContact CB-CG 3.95Å; V38-M240 HydrophobicContact CB-SD 4.35Å; V38-M240 HydrophobicContact CG1-CG 4.36Å; V38-M240 HydrophobicContact CG2-CE 4.5Å; V38-M240 HydrophobicContact CG2-CG 4.3Å; V38-M240 HydrophobicContact CG2-SD 4.05Å; A41-M240 HydrophobicContact CB-CB 4.23Å; A41-M240 HydrophobicContact CB-CG 4.48Å; A143-M240 HydrophobicContact CB-CE 3.6Å; A143-M240 HydrophobicContact CB-SD 3.75Å; R236-M240 WeakPolarHBondContact O-CG 3.09Å; R236-M240 PolarHBondContact O-N 2.91Å; R237-M240 PolarHBondContact O-N 3.5Å; M238-M240 PolarHBondContact O-N 2.85Å; M240-R244 PolarHBondContact O-NE 3.09Å; M240-R244 VanDerWaalsContact O-NE 3.08Å
241Q96.6Very high95.5Very high6 Ų632.8 Ų32.83%0.02820%0.198CC..THydrogen-bonded Turntrans-82.5-20.9179.2-54.9-47.5-60.800113.1R237 M238 M239 G243 R244 Y251R237-Q241 PolarHBondContact O-NE2 3.23Å; R237-Q241 VanDerWaalsContact O-NE2 3.12Å; M238-Q241 WeakPolarHBondContact O-CB 3.47Å; M238-Q241 PolarHBondContact O-N 2.81Å; M239-Q241 PolarHBondContact O-N 2.89Å; Q241-G243 PolarHBondContact O-N 2.9Å; Q241-R244 VanDerWaalsContact O-CB 3.25Å; Q241-R244 WeakPolarHBondContact O-CB 3.14Å; Q241-R244 WeakPolarHBondContact O-CG 3.33Å; Q241-R244 PolarHBondContact O-N 3.47Å; Q241-R244 VanDerWaalsContact O-N 3.09Å; Q241-Y251 HydrophobicContact CG-CD2 3.95Å
242S95.6Very high95.3Very high0 Ų036 Ų360%022%0.221CC..THydrogen-bonded Turntrans-68.4136.1-175.7-47.40000111.5F136 R140 D168 G172 Q175 M239 R244F136-S242 WeakPolarHBondContact CE2-OG 3.28Å; R140-S242 PolarHBondContact NH1-O 3.31Å; R140-S242 PolarHBondContact NH2-O 2.92Å; R140-S242 VanDerWaalsContact NH2-O 3.08Å; D168-S242 VanDerWaalsContact OD2-CA 3.29Å; D168-S242 WeakPolarHBondContact OD2-CA 3.31Å; G172-S242 PolarHBondContact O-OG 3.44Å; Q175-S242 VanDerWaalsContact CG-OG 3.24Å; Q175-S242 WeakPolarHBondContact CG-OG 3.4Å; M239-S242 PolarHBondContact O-N 2.93Å; S242-R244 PolarHBondContact O-N 3.23Å
243G93.5Very high95.2Very high33 Ų3335.6 Ų35.634%0.3422%0.224SC..THydrogen-bonded Turntrans81.2-4.2-172.900000114D168 Q241D168-G243 PolarHBondContact OD2-N 3.29Å; Q241-G243 PolarHBondContact O-N 2.9Å
244R94.1Very high95.1Very high22 Ų2237.3 Ų37.38%0.08324%0.235CC..  trans-85.2143.4169.5-54.8-170.7175.5-144.4-3109.8A41 M240 Q241 S242 D248 I249 M250A41-R244 VanDerWaalsContact C-NH2 3.35Å; A41-R244 PolarHBondContact O-NH2 2.93Å; M240-R244 PolarHBondContact O-NE 3.09Å; M240-R244 VanDerWaalsContact O-NE 3.08Å; Q241-R244 VanDerWaalsContact O-CB 3.25Å; Q241-R244 WeakPolarHBondContact O-CB 3.14Å; Q241-R244 WeakPolarHBondContact O-CG 3.33Å; Q241-R244 PolarHBondContact O-N 3.47Å; Q241-R244 VanDerWaalsContact O-N 3.09Å; S242-R244 PolarHBondContact O-N 3.23Å; R244-D248 HydrophobicContact CB-CB 4.21Å; R244-D248 VanDerWaalsContact CD-O 3.26Å; R244-D248 WeakPolarHBondContact CD-O 3.48Å; R244-D248 PolarHBondContact NH1-O 2.92Å; R244-I249 HydrophobicContact CB-CG1 4.07Å; R244-M250 PolarHBondContact NH1-SD 2.81Å
245K91.3Very high95.1Very high119 Ų11941.7 Ų41.752%0.51726%0.261SS..  trans-128.4150.5-178.9-57.7-61.7-172.7-168.70110.2S167 D168 A247 D248S167-K245 PolarHBondContact O-NZ 3.26Å; D168-K245 IonicContact OD1-NZ 3.49Å; D168-K245 PolarHBondContact OD1-NZ 3.28Å; K245-A247 PolarHBondContact O-N 3.43Å; K245-D248 PolarHBondContact O-N 2.88Å
246G90.6Very high95.1Very high62 Ų6242.2 Ų42.264%0.63927%0.266SS*.G310 helixtrans56-131.1173.800000113.6D248 I249G246-D248 PolarHBondContact O-N 3.31Å; G246-D248 VanDerWaalsContact O-N 3.16Å; G246-I249 PolarHBondContact O-N 2.97Å
247A89Confident95.1Very high109 Ų10941.5 Ų41.590%0.90126%0.263SS*.G310 helixtrans-64.1-16.2-175.700000114.7K245 I249K245-A247 PolarHBondContact O-N 3.43Å; A247-I249 PolarHBondContact O-N 3.23Å
248D90.6Very high95.1Very high85 Ų8544.8 Ų44.846%0.45528%0.276SS..G310 helixtrans-74.7-13.6178.6-73.7-29.3000113.9K43 R244 K245 G246 M250K43-D248 WeakPolarHBondContact CE-OD2 3.41Å; K43-D248 IonicContact NZ-OD2 2.7Å; K43-D248 PolarHBondContact NZ-OD2 3.47Å; R244-D248 HydrophobicContact CB-CB 4.21Å; R244-D248 VanDerWaalsContact CD-O 3.26Å; R244-D248 WeakPolarHBondContact CD-O 3.48Å; R244-D248 PolarHBondContact NH1-O 2.92Å; K245-D248 PolarHBondContact O-N 2.88Å; G246-D248 PolarHBondContact O-N 3.31Å; G246-D248 VanDerWaalsContact O-N 3.16Å; D248-M250 PolarHBondContact O-N 3.48Å
249I93.9Very high95.1Very high70 Ų7053.2 Ų53.236%0.35931%0.308SS..  trans-73.6113.4-179.5-62.5174000108.8R244 G246 A247 Y251R244-I249 HydrophobicContact CB-CG1 4.07Å; G246-I249 PolarHBondContact O-N 2.97Å; A247-I249 PolarHBondContact O-N 3.23Å; I249-Y251 WeakPolarHBondContact CG2-O 3.41Å
250M95Very high95.1Very high55 Ų5556.1 Ų56.127%0.27132%0.32SS..SBendtrans-80.7-33.8179-62.8176.372.500111.9A41 R244 D248 K260A41-M250 HydrophobicContact CB-CE 4.44Å; A41-M250 HydrophobicContact CB-SD 3.92Å; R244-M250 PolarHBondContact NH1-SD 2.81Å; D248-M250 PolarHBondContact O-N 3.48Å; M250-K260 WeakPolarHBondContact O-CD 3.44Å; M250-K260 WeakPolarHBondContact O-CE 3.43Å; M250-K260 PolarHBondContact O-NZ 2.92Å
251Y96.1Very high95.1Very high7 Ų755.9 Ų55.93%0.02732%0.319CS..  trans-130.1121-175.7-45.4-62000111A41 R237 Q241 I249 D256 C257 K260 I261A41-Y251 HydrophobicContact CB-CE2 4.16Å; R237-Y251 HydrophobicContact CB-CD2 4.22Å; R237-Y251 HydrophobicContact CB-CE2 3.75Å; R237-Y251 HydrophobicContact CG-CE2 4.43Å; R237-Y251 PolarHBondContact NH1-OH 2.84Å; Q241-Y251 HydrophobicContact CG-CD2 3.95Å; I249-Y251 WeakPolarHBondContact CG2-O 3.41Å; Y251-D256 WeakPolarHBondContact CA-OD2 3.46Å; Y251-C257 HydrophobicContact CD1-CB 4.01Å; Y251-C257 HydrophobicContact CD2-CB 4.42Å; Y251-C257 HydrophobicContact CG-CB 3.86Å; Y251-K260 HydrophobicContact CD1-CB 4.03Å; Y251-K260 HydrophobicContact CD1-CD 3.88Å; Y251-K260 HydrophobicContact CE1-CB 3.8Å; Y251-K260 HydrophobicContact CE1-CD 4.26Å; Y251-I261 HydrophobicContact CE1-CG1 4.48Å
252T94.3Very high95.1Very high109 Ų10958 Ų5867%0.66934%0.337SS*.SBendtrans-80.3-21.3-179.260.20000112.7D256T252-D256 PolarHBondContact N-OD2 3.4Å; T252-D256 WeakPolarHBondContact OG1-CB 3.22Å; T252-D256 PolarHBondContact OG1-OD2 2.88Å
253G95.6Very high95.2Very high23 Ų2366.5 Ų66.524%0.23738%0.375CS..SBendtrans-172.6178.5178.800000112.1V255 D256 C257G253-V255 PolarHBondContact O-N 3.49Å; G253-D256 PolarHBondContact O-N 2.91Å; G253-C257 WeakPolarHBondContact O-CB 3.28Å; G253-C257 PolarHBondContact O-N 3.21Å
254T97.1Very high95.3Very high36 Ų3669.8 Ų69.822%0.22138%0.384CS..Hα-helixtrans-59.1-45.2-177.4-60.50000112.7V179 V234 C257 W258V179-T254 HydrophobicContact CB-CG2 3.78Å; V179-T254 HydrophobicContact CG1-CG2 4.39Å; V179-T254 HydrophobicContact CG2-CG2 4.12Å; V234-T254 HydrophobicContact CG1-CG2 3.99Å; T254-C257 WeakPolarHBondContact O-CB 3.4Å; T254-C257 PolarHBondContact O-N 3.38Å; T254-W258 PolarHBondContact O-N 3.24Å
255V97.7Very high95.3Very high92 Ų9270.6 Ų70.656%0.55839%0.389SS*.Hα-helixtrans-65.5-41.3179.7178.30000111.3G253 C257 W258 R259G253-V255 PolarHBondContact O-N 3.49Å; V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.5Å; V255-W258 PolarHBondContact O-N 2.93Å; V255-R259 WeakPolarHBondContact O-CG 3.37Å; V255-R259 PolarHBondContact O-N 2.86Å
256D97.7Very high95.6Very high36 Ų3666.2 Ų66.219%0.19338%0.378CS..Hα-helixtrans-61.5-41.4174-176.451.3000111.2Y251 T252 G253 W258 R259 K260Y251-D256 WeakPolarHBondContact CA-OD2 3.46Å; T252-D256 PolarHBondContact N-OD2 3.4Å; T252-D256 WeakPolarHBondContact OG1-CB 3.22Å; T252-D256 PolarHBondContact OG1-OD2 2.88Å; G253-D256 PolarHBondContact O-N 2.91Å; D256-W258 PolarHBondContact O-N 3.3Å; D256-R259 PolarHBondContact O-N 3.41Å; D256-K260 WeakPolarHBondContact O-CB 3.44Å; D256-K260 PolarHBondContact O-N 3.5Å; D256-K260 WeakPolarHBondContact OD1-CE 3.24Å; D256-K260 IonicContact OD1-NZ 2.99Å; D256-K260 PolarHBondContact OD1-NZ 3.33Å; D256-K260 WeakPolarHBondContact OD2-CE 3.42Å; D256-K260 IonicContact OD2-NZ 3.09Å; D256-K260 PolarHBondContact OD2-NZ 2.89Å
257C97.7Very high95.8Very high0 Ų066.8 Ų66.80%038%0.377CS..Hα-helixtrans-61.8-43.9175.9-169.20000112.7V234 M238 Y251 G253 T254 V255 I261V234-C257 HydrophobicContact CG1-CB 3.94Å; M238-C257 HydrophobicContact CG-CB 4.36Å; M238-C257 HydrophobicContact SD-CB 3.69Å; Y251-C257 HydrophobicContact CD1-CB 4.01Å; Y251-C257 HydrophobicContact CD2-CB 4.42Å; Y251-C257 HydrophobicContact CG-CB 3.86Å; G253-C257 WeakPolarHBondContact O-CB 3.28Å; G253-C257 PolarHBondContact O-N 3.21Å; T254-C257 WeakPolarHBondContact O-CB 3.4Å; T254-C257 PolarHBondContact O-N 3.38Å; V255-C257 VanDerWaalsContact C-N 3.32Å; V255-C257 PolarHBondContact O-N 3.5Å; C257-I261 WeakPolarHBondContact O-CB 3.28Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 WeakPolarHBondContact O-CG1 3.47Å; C257-I261 PolarHBondContact O-N 3.49Å; C257-I261 VanDerWaalsContact O-N 3.07Å
258W98Very high96.1Very high70 Ų7070.5 Ų70.527%0.26537%0.373SS..Hα-helixtrans-58.7-48.5173.5-78.1107.3000111.5V179 P230 F231 V234 T254 V255 D256 A262 F270V179-W258 HydrophobicContact CG2-CZ2 4.27Å; P230-W258 HydrophobicContact CB-CH2 3.53Å; P230-W258 HydrophobicContact CB-CZ3 3.73Å; F231-W258 HydrophobicContact CD1-CZ2 4.01Å; F231-W258 HydrophobicContact CD2-CH2 4.39Å; F231-W258 HydrophobicContact CE1-CZ2 4.22Å; F231-W258 HydrophobicContact CG-CH2 4.42Å; F231-W258 HydrophobicContact CG-CZ2 4.16Å; V234-W258 HydrophobicContact CB-CZ2 4.3Å; V234-W258 HydrophobicContact CG2-CD2 3.6Å; V234-W258 HydrophobicContact CG2-CE3 3.88Å; V234-W258 HydrophobicContact CG2-CG 4.08Å; V234-W258 HydrophobicContact CG2-CH2 4.16Å; V234-W258 HydrophobicContact CG2-CZ2 3.9Å; V234-W258 HydrophobicContact CG2-CZ3 4.15Å; T254-W258 PolarHBondContact O-N 3.24Å; V255-W258 PolarHBondContact O-N 2.93Å; D256-W258 PolarHBondContact O-N 3.3Å; W258-A262 WeakPolarHBondContact O-CB 3.35Å; W258-A262 PolarHBondContact O-N 3.11Å; W258-A262 VanDerWaalsContact O-N 3.13Å; W258-F270 HydrophobicContact CD2-CE1 4.18Å; W258-F270 AromaticContact CE3-CD1 3.97Å; W258-F270 HydrophobicContact CE3-CD1 3.97Å; W258-F270 AromaticContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE2 4.4Å; W258-F270 AromaticContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CE3-CZ 3.5Å; W258-F270 VanDerWaalsContact CE3-CZ 3.5Å; W258-F270 AromaticContact CZ3-CD1 3.67Å; W258-F270 HydrophobicContact CZ3-CD1 3.67Å; W258-F270 AromaticContact CZ3-CE1 3.44Å; W258-F270 HydrophobicContact CZ3-CE1 3.44Å; W258-F270 VanDerWaalsContact CZ3-CE1 3.44Å; W258-F270 HydrophobicContact CZ3-CG 4.35Å; W258-F270 AromaticContact CZ3-CZ 3.94Å; W258-F270 HydrophobicContact CZ3-CZ 3.94Å
259R97.7Very high96.3Very high178 Ų17866.5 Ų66.567%0.67235%0.351SS*.Hα-helixtrans-62.7-49-178.4-72.3176.5180178.7-0.3112.2V255 D256 A262 K263V255-R259 WeakPolarHBondContact O-CG 3.37Å; V255-R259 PolarHBondContact O-N 2.86Å; D256-R259 PolarHBondContact O-N 3.41Å; R259-A262 PolarHBondContact O-N 3.29Å; R259-K263 VanDerWaalsContact O-CB 3.27Å; R259-K263 WeakPolarHBondContact O-CB 3.49Å; R259-K263 PolarHBondContact O-N 2.85Å
260K97.5Very high96.5Very high61 Ų6164.1 Ų64.127%0.26534%0.338SS..Hα-helixtrans-66.5-41.5-178.4-76.7175.7173.6163.10112.7M250 Y251 D256 A262 K263 D264M250-K260 WeakPolarHBondContact O-CD 3.44Å; M250-K260 WeakPolarHBondContact O-CE 3.43Å; M250-K260 PolarHBondContact O-NZ 2.92Å; Y251-K260 HydrophobicContact CD1-CB 4.03Å; Y251-K260 HydrophobicContact CD1-CD 3.88Å; Y251-K260 HydrophobicContact CE1-CB 3.8Å; Y251-K260 HydrophobicContact CE1-CD 4.26Å; D256-K260 WeakPolarHBondContact O-CB 3.44Å; D256-K260 PolarHBondContact O-N 3.5Å; D256-K260 WeakPolarHBondContact OD1-CE 3.24Å; D256-K260 IonicContact OD1-NZ 2.99Å; D256-K260 PolarHBondContact OD1-NZ 3.33Å; D256-K260 WeakPolarHBondContact OD2-CE 3.42Å; D256-K260 IonicContact OD2-NZ 3.09Å; D256-K260 PolarHBondContact OD2-NZ 2.89Å; K260-A262 VanDerWaalsContact C-N 3.33Å; K260-A262 PolarHBondContact O-N 3.44Å; K260-K263 PolarHBondContact O-N 2.7Å; K260-D264 WeakPolarHBondContact O-CB 3.45Å; K260-D264 VanDerWaalsContact O-CG 3.26Å; K260-D264 PolarHBondContact O-N 2.89Å
261I97.2Very high96.6Very high0 Ų066 Ų660%035%0.345CS..Iπ-helixtrans-60.6-46.4174.5-66.4168.9000110.5T233 V234 R237 Y251 C257 K263 E265 G266 A269 F270T233-I261 HydrophobicContact CG2-CD1 4.49Å; V234-I261 HydrophobicContact CG2-CD1 3.97Å; R237-I261 HydrophobicContact CB-CD1 4.44Å; R237-I261 HydrophobicContact CG-CD1 3.97Å; Y251-I261 HydrophobicContact CE1-CG1 4.48Å; C257-I261 WeakPolarHBondContact O-CB 3.28Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 WeakPolarHBondContact O-CG1 3.47Å; C257-I261 PolarHBondContact O-N 3.49Å; C257-I261 VanDerWaalsContact O-N 3.07Å; I261-K263 PolarHBondContact O-N 3.27Å; I261-E265 PolarHBondContact O-N 3.38Å; I261-G266 PolarHBondContact O-N 2.99Å; I261-G266 VanDerWaalsContact O-N 3.13Å; I261-A269 HydrophobicContact CG2-CB 3.77Å; I261-F270 HydrophobicContact CB-CE1 3.79Å; I261-F270 HydrophobicContact CB-CZ 3.76Å; I261-F270 HydrophobicContact CD1-CD1 4.46Å; I261-F270 HydrophobicContact CD1-CE1 3.97Å; I261-F270 HydrophobicContact CG2-CD1 3.88Å; I261-F270 HydrophobicContact CG2-CD2 4.26Å; I261-F270 HydrophobicContact CG2-CE1 3.56Å; I261-F270 HydrophobicContact CG2-CE2 3.96Å; I261-F270 HydrophobicContact CG2-CG 4.21Å; I261-F270 HydrophobicContact CG2-CZ 3.59Å
262A97.5Very high96.5Very high50 Ų5068.7 Ų68.741%0.41336%0.357SS..Iπ-helixtrans-64.1-40.2-18000000112.5W258 R259 K260 G266 F270W258-A262 WeakPolarHBondContact O-CB 3.35Å; W258-A262 PolarHBondContact O-N 3.11Å; W258-A262 VanDerWaalsContact O-N 3.13Å; R259-A262 PolarHBondContact O-N 3.29Å; K260-A262 VanDerWaalsContact C-N 3.33Å; K260-A262 PolarHBondContact O-N 3.44Å; A262-G266 VanDerWaalsContact O-CA 3.32Å; A262-G266 WeakPolarHBondContact O-CA 3.16Å; A262-G266 PolarHBondContact O-N 3.18Å; A262-F270 HydrophobicContact CB-CE2 4.07Å; A262-F270 HydrophobicContact CB-CZ 4.25Å
263K96.8Very high96.4Very high180 Ų18064 Ų6478%0.78333%0.331SS*.Iπ-helixtrans-76.2-46.6-178.5-173.8-177.9176.9-175.90113R259 K260 I261R259-K263 VanDerWaalsContact O-CB 3.27Å; R259-K263 WeakPolarHBondContact O-CB 3.49Å; R259-K263 PolarHBondContact O-N 2.85Å; K260-K263 PolarHBondContact O-N 2.7Å; I261-K263 PolarHBondContact O-N 3.27Å
264D95.8Very high96.4Very high102 Ų10263.3 Ų63.355%0.54532%0.322SS..Iπ-helixtrans-94-27.5-166.9-52.5-28000112.4K260K260-D264 WeakPolarHBondContact O-CB 3.45Å; K260-D264 VanDerWaalsContact O-CG 3.26Å; K260-D264 PolarHBondContact O-N 2.89Å
265E95.3Very high96.3Very high38 Ų3869.7 Ų69.718%0.17834%0.342CS..Iπ-helixtrans-119.3-12.5-179.3-60174.9-96.600114.2H40 R237 I261 A269 K272H40-E265 WeakPolarHBondContact CB-OE2 3.12Å; H40-E265 IonicContact CD2-OE1 3.17Å; H40-E265 PolarHBondContact CD2-OE1 3.42Å; H40-E265 VanDerWaalsContact CD2-OE1 3.32Å; H40-E265 IonicContact CD2-OE2 3.42Å; H40-E265 VanDerWaalsContact CG-CD 3.45Å; H40-E265 IonicContact CG-OE1 3.39Å; H40-E265 IonicContact CG-OE2 2.93Å; H40-E265 IonicContact ND1-OE2 3.33Å; H40-E265 IonicContact NE2-OE1 3.79Å; R237-E265 IonicContact CZ-OE1 3.32Å; R237-E265 IonicContact CZ-OE2 3.85Å; R237-E265 IonicContact NH1-OE1 2.61Å; R237-E265 PolarHBondContact NH1-OE1 2.91Å; R237-E265 IonicContact NH1-OE2 3.68Å; R237-E265 IonicContact NH2-OE1 3.19Å; R237-E265 PolarHBondContact NH2-OE1 3.16Å; R237-E265 IonicContact NH2-OE2 3.63Å; R237-E265 PolarHBondContact NH2-OE2 2.89Å; I261-E265 PolarHBondContact O-N 3.38Å; E265-A269 HydrophobicContact CB-CB 3.31Å; E265-A269 HydrophobicContact CG-CB 4.3Å; E265-K272 IonicContact OE2-NZ 3.78Å; E265-K272 PolarHBondContact OE2-NZ 3.23Å
266G95.9Very high96Very high28 Ų2865.4 Ų65.429%0.28932%0.317SS..  trans81.2164.6-17700000114.7I261 A262 K268 A269I261-G266 PolarHBondContact O-N 2.99Å; I261-G266 VanDerWaalsContact O-N 3.13Å; A262-G266 VanDerWaalsContact O-CA 3.32Å; A262-G266 WeakPolarHBondContact O-CA 3.16Å; A262-G266 PolarHBondContact O-N 3.18Å; G266-K268 PolarHBondContact O-N 2.82Å; G266-K268 VanDerWaalsContact O-N 3.12Å; G266-A269 WeakPolarHBondContact O-CB 3.44Å; G266-A269 PolarHBondContact O-N 2.87Å
267A94.4Very high95.7Very high74 Ų7465 Ų6561%0.61232%0.315SS*.G310 helixtrans-59.6-28.3-174.300000114.5A269 F270A267-A269 PolarHBondContact O-N 2.89Å; A267-F270 WeakPolarHBondContact O-CD2 3.42Å; A267-F270 PolarHBondContact O-N 3.39Å
268K95.8Very high95.5Very high187 Ų18765.7 Ų65.781%0.81332%0.319SS*.G310 helixtrans-66.2-22176.2-66.2-177.9-179.4177.50112.5G266 F270 F271G266-K268 PolarHBondContact O-N 2.82Å; G266-K268 VanDerWaalsContact O-N 3.12Å; K268-F270 PolarHBondContact O-N 3.3Å; K268-F271 PolarHBondContact O-N 3.41Å
269A96.3Very high95.2Very high1 Ų165.6 Ų65.61%0.00832%0.323CS..G310 helixtrans-64.5-28.3-178.400000113.3I261 E265 G266 A267 F271 K272I261-A269 HydrophobicContact CG2-CB 3.77Å; E265-A269 HydrophobicContact CB-CB 3.31Å; E265-A269 HydrophobicContact CG-CB 4.3Å; G266-A269 WeakPolarHBondContact O-CB 3.44Å; G266-A269 PolarHBondContact O-N 2.87Å; A267-A269 PolarHBondContact O-N 2.89Å; A269-F271 PolarHBondContact O-N 3.23Å; A269-F271 VanDerWaalsContact O-N 3.13Å; A269-K272 HydrophobicContact CB-CD 4.38Å; A269-K272 WeakPolarHBondContact O-CB 3.35Å; A269-K272 WeakPolarHBondContact O-CG 3.24Å; A269-K272 PolarHBondContact O-N 2.86Å; A269-K272 VanDerWaalsContact O-N 3.16Å
270F97.1Very high95Very high19 Ų1959.3 Ų59.38%0.08330%0.299CS..G310 helixtrans-59.6-23.2173.3-68.5-68.1000113Y229 P230 T233 V234 W258 I261 A262 A267 K268Y229-F270 WeakPolarHBondContact CD1-O 3.33Å; Y229-F270 WeakPolarHBondContact CE1-O 3.44Å; P230-F270 HydrophobicContact CB-CB 3.92Å; P230-F270 HydrophobicContact CB-CD1 4.22Å; P230-F270 HydrophobicContact CB-CG 4.22Å; P230-F270 HydrophobicContact CG-CB 4.09Å; T233-F270 WeakPolarHBondContact CB-O 3.38Å; T233-F270 PolarHBondContact OG1-O 3.41Å; V234-F270 HydrophobicContact CG2-CD1 4.21Å; V234-F270 HydrophobicContact CG2-CE1 3.8Å; W258-F270 HydrophobicContact CD2-CE1 4.18Å; W258-F270 AromaticContact CE3-CD1 3.97Å; W258-F270 HydrophobicContact CE3-CD1 3.97Å; W258-F270 AromaticContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE2 4.4Å; W258-F270 AromaticContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CE3-CZ 3.5Å; W258-F270 VanDerWaalsContact CE3-CZ 3.5Å; W258-F270 AromaticContact CZ3-CD1 3.67Å; W258-F270 HydrophobicContact CZ3-CD1 3.67Å; W258-F270 AromaticContact CZ3-CE1 3.44Å; W258-F270 HydrophobicContact CZ3-CE1 3.44Å; W258-F270 VanDerWaalsContact CZ3-CE1 3.44Å; W258-F270 HydrophobicContact CZ3-CG 4.35Å; W258-F270 AromaticContact CZ3-CZ 3.94Å; W258-F270 HydrophobicContact CZ3-CZ 3.94Å; I261-F270 HydrophobicContact CB-CE1 3.79Å; I261-F270 HydrophobicContact CB-CZ 3.76Å; I261-F270 HydrophobicContact CD1-CD1 4.46Å; I261-F270 HydrophobicContact CD1-CE1 3.97Å; I261-F270 HydrophobicContact CG2-CD1 3.88Å; I261-F270 HydrophobicContact CG2-CD2 4.26Å; I261-F270 HydrophobicContact CG2-CE1 3.56Å; I261-F270 HydrophobicContact CG2-CE2 3.96Å; I261-F270 HydrophobicContact CG2-CG 4.21Å; I261-F270 HydrophobicContact CG2-CZ 3.59Å; A262-F270 HydrophobicContact CB-CE2 4.07Å; A262-F270 HydrophobicContact CB-CZ 4.25Å; A267-F270 WeakPolarHBondContact O-CD2 3.42Å; A267-F270 PolarHBondContact O-N 3.39Å; K268-F270 PolarHBondContact O-N 3.3Å
271F97.3Very high94.5Very high96 Ų9657 Ų5742%0.42129%0.293SS..G310 helixtrans-103.712.1-178-62.9-87.8000113.7L226 Y229 P230 K268 A269 G273 A274L226-F271 WeakPolarHBondContact O-CE1 3.45Å; Y229-F271 HydrophobicContact CD1-CD1 4.36Å; P230-F271 HydrophobicContact CG-CE1 4.04Å; P230-F271 HydrophobicContact CG-CE2 4.02Å; P230-F271 HydrophobicContact CG-CZ 3.61Å; K268-F271 PolarHBondContact O-N 3.41Å; A269-F271 PolarHBondContact O-N 3.23Å; A269-F271 VanDerWaalsContact O-N 3.13Å; F271-G273 PolarHBondContact O-N 2.79Å; F271-G273 VanDerWaalsContact O-N 3.11Å; F271-A274 HydrophobicContact CB-CB 4.03Å; F271-A274 HydrophobicContact CD1-CB 4.21Å; F271-A274 WeakPolarHBondContact O-CB 3.48Å; F271-A274 PolarHBondContact O-N 3.45Å
272K93.9Very high94.2Very high63 Ų6360.7 Ų60.727%0.27431%0.311SS..THydrogen-bonded Turntrans-58.8117.3173.4-76.7177.1178.4-179.10110.5L36 Q37 Y229 E265 A269L36-K272 WeakPolarHBondContact O-CB 3.18Å; Q37-K272 WeakPolarHBondContact CA-O 3.5Å; Q37-K272 WeakPolarHBondContact CB-O 3.33Å; Y229-K272 WeakPolarHBondContact CE1-O 3.3Å; Y229-K272 PolarHBondContact OH-O 2.85Å; E265-K272 IonicContact OE2-NZ 3.78Å; E265-K272 PolarHBondContact OE2-NZ 3.23Å; A269-K272 HydrophobicContact CB-CD 4.38Å; A269-K272 WeakPolarHBondContact O-CB 3.35Å; A269-K272 WeakPolarHBondContact O-CG 3.24Å; A269-K272 PolarHBondContact O-N 2.86Å; A269-K272 VanDerWaalsContact O-N 3.16Å
273G93.2Very high93.8Very high11 Ų1159.5 Ų59.511%0.11330%0.304CS..THydrogen-bonded Turntrans84.62.4-17600000115.4K33 Y229 F271 W275 S276 N277K33-G273 WeakPolarHBondContact CG-O 3.41Å; Y229-G273 WeakPolarHBondContact OH-CA 3.5Å; Y229-G273 PolarHBondContact OH-O 3.21Å; F271-G273 PolarHBondContact O-N 2.79Å; F271-G273 VanDerWaalsContact O-N 3.11Å; G273-W275 VanDerWaalsContact C-N 3.32Å; G273-W275 PolarHBondContact O-N 2.83Å; G273-S276 WeakPolarHBondContact O-CB 3.5Å; G273-S276 PolarHBondContact O-N 2.96Å; G273-S276 VanDerWaalsContact O-N 3.14Å; G273-N277 PolarHBondContact O-N 3.42Å
274A95Very high93.3Very high8 Ų851.3 Ų51.37%0.06627%0.27CS..Hα-helixtrans-58.2-43-178.700000112.1L226 Y229 F271 N277 V278L226-A274 HydrophobicContact CD2-CB 3.91Å; Y229-A274 HydrophobicContact CD1-CB 3.79Å; Y229-A274 HydrophobicContact CD2-CB 4.34Å; Y229-A274 HydrophobicContact CE1-CB 3.8Å; Y229-A274 HydrophobicContact CE2-CB 4.34Å; Y229-A274 HydrophobicContact CG-CB 4.07Å; Y229-A274 PolarHBondContact OH-N 3.37Å; F271-A274 HydrophobicContact CB-CB 4.03Å; F271-A274 HydrophobicContact CD1-CB 4.21Å; F271-A274 WeakPolarHBondContact O-CB 3.48Å; F271-A274 PolarHBondContact O-N 3.45Å; A274-N277 WeakPolarHBondContact O-CB 3.38Å; A274-N277 PolarHBondContact O-N 3.49Å; A274-N277 VanDerWaalsContact O-N 3.11Å; A274-V278 PolarHBondContact O-N 3.47Å
275W93.5Very high92.9Very high169 Ų16947.4 Ų47.464%0.6425%0.252SS*.Hα-helixtrans-62.7-44175.4-173.6-123.2000112.5G273 N277 V278 L279G273-W275 VanDerWaalsContact C-N 3.32Å; G273-W275 PolarHBondContact O-N 2.83Å; W275-N277 PolarHBondContact O-N 3.25Å; W275-V278 HydrophobicContact CE3-CB 4.23Å; W275-V278 HydrophobicContact CE3-CG1 4.44Å; W275-V278 HydrophobicContact CZ3-CB 4.42Å; W275-V278 HydrophobicContact CZ3-CG1 4.13Å; W275-V278 WeakPolarHBondContact O-CB 3.43Å; W275-V278 PolarHBondContact O-N 2.9Å; W275-V278 VanDerWaalsContact O-N 3.1Å; W275-L279 HydrophobicContact CZ2-CD2 4.26Å; W275-L279 PolarHBondContact O-N 3.1Å
276S91.7Very high92.6Very high2 Ų250.8 Ų50.81%0.01427%0.266CS..Hα-helixtrans-59.2-34.4173.3-470000112I54 G273 R280I54-S276 WeakPolarHBondContact CD1-OG 3.42Å; I54-S276 VanDerWaalsContact CG1-OG 3.26Å; I54-S276 WeakPolarHBondContact CG1-OG 3.03Å; G273-S276 WeakPolarHBondContact O-CB 3.5Å; G273-S276 PolarHBondContact O-N 2.96Å; G273-S276 VanDerWaalsContact O-N 3.14Å; S276-R280 VanDerWaalsContact O-CB 3.27Å; S276-R280 WeakPolarHBondContact O-CB 3.41Å; S276-R280 PolarHBondContact O-N 2.98Å
277N92.3Very high91.9Very high29 Ų2950.8 Ų50.816%0.15526%0.261CS..Hα-helixtrans-69.4-36.1176.1-17354.7000113K33 Y229 G273 A274 W275 R280 G281K33-N277 HydrophobicContact CG-CB 3.92Å; Y229-N277 HydrophobicContact CD2-CB 4.3Å; Y229-N277 HydrophobicContact CE2-CB 3.61Å; G273-N277 PolarHBondContact O-N 3.42Å; A274-N277 WeakPolarHBondContact O-CB 3.38Å; A274-N277 PolarHBondContact O-N 3.49Å; A274-N277 VanDerWaalsContact O-N 3.11Å; W275-N277 PolarHBondContact O-N 3.25Å; N277-R280 PolarHBondContact O-N 2.89Å; N277-R280 PolarHBondContact OD1-NE 3.49Å; N277-R280 VanDerWaalsContact OD1-NE 3.11Å; N277-G281 PolarHBondContact O-N 3.19Å
278V93.3Very high91.3Very high14 Ų1450.5 Ų50.59%0.08525%0.248CC..Hα-helixtrans-62.9-50.7173.2174.40000109.7A222 L226 A274 W275 R280 G281 M282A222-V278 HydrophobicContact CB-CG1 4.14Å; A222-V278 HydrophobicContact CB-CG2 4.37Å; L226-V278 HydrophobicContact CD2-CG2 4.3Å; L226-V278 HydrophobicContact CG-CG2 4.38Å; A274-V278 PolarHBondContact O-N 3.47Å; W275-V278 HydrophobicContact CE3-CB 4.23Å; W275-V278 HydrophobicContact CE3-CG1 4.44Å; W275-V278 HydrophobicContact CZ3-CB 4.42Å; W275-V278 HydrophobicContact CZ3-CG1 4.13Å; W275-V278 WeakPolarHBondContact O-CB 3.43Å; W275-V278 PolarHBondContact O-N 2.9Å; W275-V278 VanDerWaalsContact O-N 3.1Å; V278-R280 VanDerWaalsContact C-N 3.32Å; V278-R280 PolarHBondContact O-N 3.32Å; V278-G281 WeakPolarHBondContact O-CA 3.39Å; V278-G281 PolarHBondContact O-N 3.45Å; V278-M282 HydrophobicContact CG1-CG 4.48Å; V278-M282 HydrophobicContact CG1-SD 3.93Å; V278-M282 WeakPolarHBondContact O-CG 3.28Å; V278-M282 PolarHBondContact O-N 3.2Å
279L92.3Very high90.7Very high68 Ų6844.9 Ų44.936%0.35623%0.23SC..Hα-helixtrans-57.7-43.3176.5-64178.1000112.1I29 I54 W275 G281 M282 G283I29-L279 HydrophobicContact CG1-CB 4.3Å; I54-L279 HydrophobicContact CD1-CD1 4.27Å; W275-L279 HydrophobicContact CZ2-CD2 4.26Å; W275-L279 PolarHBondContact O-N 3.1Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.49Å; L279-M282 PolarHBondContact O-N 2.93Å; L279-G283 PolarHBondContact O-N 2.92Å
280R92Very high90Very high45 Ų4548.5 Ų48.517%0.1725%0.249CC..Hα-helixtrans-61.3-38.7174.4-178.6-135.958.269-1.1112.2V26 I29 E30 S276 N277 V278 G284V26-R280 HydrophobicContact CB-CG 4.25Å; V26-R280 HydrophobicContact CG2-CG 4.01Å; I29-R280 HydrophobicContact CG2-CB 4Å; I29-R280 HydrophobicContact CG2-CG 4.33Å; E30-R280 HydrophobicContact CB-CG 3.97Å; E30-R280 HydrophobicContact CG-CG 4.11Å; S276-R280 VanDerWaalsContact O-CB 3.27Å; S276-R280 WeakPolarHBondContact O-CB 3.41Å; S276-R280 PolarHBondContact O-N 2.98Å; N277-R280 PolarHBondContact O-N 2.89Å; N277-R280 PolarHBondContact OD1-NE 3.49Å; N277-R280 VanDerWaalsContact OD1-NE 3.11Å; V278-R280 VanDerWaalsContact C-N 3.32Å; V278-R280 PolarHBondContact O-N 3.32Å; R280-G284 PolarHBondContact O-N 2.96Å
281G88.6Confident89.1Confident13 Ų1350.3 Ų50.313%0.13426%0.255CS..Hα-helixtrans-63.6-55.3177.100000111.7N277 V278 L279 G284 A285N277-G281 PolarHBondContact O-N 3.19Å; V278-G281 WeakPolarHBondContact O-CA 3.39Å; V278-G281 PolarHBondContact O-N 3.45Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.49Å; G281-G284 PolarHBondContact O-N 3.25Å; G281-A285 PolarHBondContact O-N 2.92Å; G281-A285 VanDerWaalsContact O-N 3.11Å
282M90.6Very high88.1Confident78 Ų7850 Ų5038%0.38426%0.258SS..Hα-helixtrans-62.8-46-179.5-64.7176.27200111.7V278 L279 G284 A285 F286V278-M282 HydrophobicContact CG1-CG 4.48Å; V278-M282 HydrophobicContact CG1-SD 3.93Å; V278-M282 WeakPolarHBondContact O-CG 3.28Å; V278-M282 PolarHBondContact O-N 3.2Å; L279-M282 PolarHBondContact O-N 2.93Å; M282-G284 VanDerWaalsContact C-N 3.33Å; M282-G284 PolarHBondContact O-N 3.42Å; M282-A285 PolarHBondContact O-N 3.37Å; M282-F286 WeakPolarHBondContact O-CB 3.47Å; M282-F286 PolarHBondContact O-N 3.16Å
283G89Confident87.4Confident25 Ų2550.7 Ų50.726%0.25826%0.262SS..Hα-helixtrans-61.6-39.517700000112.5L279 A285 F286 V287L279-G283 PolarHBondContact O-N 2.92Å; G283-A285 PolarHBondContact O-N 3.34Å; G283-F286 PolarHBondContact O-N 3.12Å; G283-V287 VanDerWaalsContact O-CG2 3.24Å; G283-V287 WeakPolarHBondContact O-CG2 3.48Å; G283-V287 PolarHBondContact O-N 3.03Å
284G85.4Confident86.7Confident7 Ų755.3 Ų55.37%0.07228%0.283CS..Hα-helixtrans-66.2-39.8178.800000112.2S22 R280 G281 M282 L288S22-G284 PolarHBondContact OG-O 3.07Å; R280-G284 PolarHBondContact O-N 2.96Å; G281-G284 PolarHBondContact O-N 3.25Å; M282-G284 VanDerWaalsContact C-N 3.33Å; M282-G284 PolarHBondContact O-N 3.42Å; G284-L288 WeakPolarHBondContact O-CG 3.5Å; G284-L288 PolarHBondContact O-N 3.37Å
285A87.9Confident85.7Confident20 Ų2060.1 Ų60.117%0.16530%0.303CS..Hα-helixtrans-67.4-41.6174.500000111.9Q218 G281 M282 G283 V287 L288 V289Q218-A285 VanDerWaalsContact NE2-CB 3.3Å; G281-A285 PolarHBondContact O-N 2.92Å; G281-A285 VanDerWaalsContact O-N 3.11Å; M282-A285 PolarHBondContact O-N 3.37Å; G283-A285 PolarHBondContact O-N 3.34Å; A285-V287 PolarHBondContact O-N 3.29Å; A285-L288 PolarHBondContact O-N 3.41Å; A285-V289 WeakPolarHBondContact O-CG2 3.47Å; A285-V289 PolarHBondContact O-N 3.11Å; A285-V289 VanDerWaalsContact O-N 3.1Å
286F88.2Confident85Confident109 Ų10959 Ų5948%0.47830%0.302SS..Hα-helixtrans-61.3-43.1176-178-111.5000112.1M282 G283 L288 V289 L290M282-F286 WeakPolarHBondContact O-CB 3.47Å; M282-F286 PolarHBondContact O-N 3.16Å; G283-F286 PolarHBondContact O-N 3.12Å; F286-L288 VanDerWaalsContact C-N 3.3Å; F286-L288 PolarHBondContact O-N 3.48Å; F286-V289 PolarHBondContact O-N 3.17Å; F286-L290 HydrophobicContact CD1-CD1 3.8Å; F286-L290 HydrophobicContact CD1-CG 4.33Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 3.98Å; F286-L290 HydrophobicContact CE2-CD2 4.49Å; F286-L290 HydrophobicContact CE2-CG 4.35Å; F286-L290 HydrophobicContact CZ-CD1 3.76Å; F286-L290 HydrophobicContact CZ-CD2 4.09Å; F286-L290 HydrophobicContact CZ-CG 3.98Å; F286-L290 WeakPolarHBondContact O-CG 3.37Å; F286-L290 PolarHBondContact O-N 2.96Å
287V82.4Confident84.2Confident29 Ų2967.8 Ų67.818%0.17634%0.337CS..Hα-helixtrans-63.8-34.9176.7175.60000111.9V21 A25 G283 A285 L290 Y291V21-V287 HydrophobicContact CG1-CG1 4.23Å; A25-V287 HydrophobicContact CB-CB 4.48Å; A25-V287 HydrophobicContact CB-CG1 4.01Å; A25-V287 HydrophobicContact CB-CG2 3.81Å; G283-V287 VanDerWaalsContact O-CG2 3.24Å; G283-V287 WeakPolarHBondContact O-CG2 3.48Å; G283-V287 PolarHBondContact O-N 3.03Å; A285-V287 PolarHBondContact O-N 3.29Å; V287-L290 PolarHBondContact O-N 3.37Å; V287-Y291 VanDerWaalsContact O-CB 3.3Å; V287-Y291 WeakPolarHBondContact O-CB 3.4Å; V287-Y291 PolarHBondContact O-N 2.88Å
288L81.1Confident82.9Confident67 Ų6774.4 Ų74.435%0.35138%0.378SS..Hα-helixtrans-65.3-43.9174.3-72.2170.4000111.5A18 G284 A285 F286 L290 Y291 D292A18-L288 HydrophobicContact CB-CD2 4.23Å; G284-L288 WeakPolarHBondContact O-CG 3.5Å; G284-L288 PolarHBondContact O-N 3.37Å; A285-L288 PolarHBondContact O-N 3.41Å; F286-L288 VanDerWaalsContact C-N 3.3Å; F286-L288 PolarHBondContact O-N 3.48Å; L288-L290 PolarHBondContact O-N 2.99Å; L288-Y291 PolarHBondContact O-N 3.5Å; L288-D292 PolarHBondContact O-N 3.03Å
289V83.4Confident82.3Confident70 Ų7077.5 Ų77.542%0.42439%0.392SS..Hα-helixtrans-61-45.4175.8174.50000111.1A285 F286 Y291 D292 E293A285-V289 WeakPolarHBondContact O-CG2 3.47Å; A285-V289 PolarHBondContact O-N 3.11Å; A285-V289 VanDerWaalsContact O-N 3.1Å; F286-V289 PolarHBondContact O-N 3.17Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.4Å; V289-D292 PolarHBondContact O-N 2.88Å; V289-E293 PolarHBondContact O-N 3.07Å
290L82Confident81.8Confident77 Ų7777.9 Ų77.940%0.40339%0.394SS..Hα-helixtrans-61.8-41.2175.9-73.5178.9000112.3F286 V287 L288 E293 I294F286-L290 HydrophobicContact CD1-CD1 3.8Å; F286-L290 HydrophobicContact CD1-CG 4.33Å; F286-L290 HydrophobicContact CE1-CD1 3.33Å; F286-L290 HydrophobicContact CE1-CG 3.98Å; F286-L290 HydrophobicContact CE2-CD2 4.49Å; F286-L290 HydrophobicContact CE2-CG 4.35Å; F286-L290 HydrophobicContact CZ-CD1 3.76Å; F286-L290 HydrophobicContact CZ-CD2 4.09Å; F286-L290 HydrophobicContact CZ-CG 3.98Å; F286-L290 WeakPolarHBondContact O-CG 3.37Å; F286-L290 PolarHBondContact O-N 2.96Å; V287-L290 PolarHBondContact O-N 3.37Å; L288-L290 PolarHBondContact O-N 2.99Å; L290-E293 PolarHBondContact O-N 2.69Å; L290-I294 WeakPolarHBondContact O-CB 3.42Å; L290-I294 WeakPolarHBondContact O-CD1 3.39Å; L290-I294 VanDerWaalsContact O-CG1 3.24Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 2.98Å
291Y78.2Confident81.3Confident56 Ų5679.8 Ų79.822%0.2241%0.407CS..Hα-helixtrans-62.1-45.5177.7179.4-94.9000111.4V17 A18 V21 V287 L288 V289 E293 I294 K295V17-Y291 HydrophobicContact CG1-CE2 4.47Å; A18-Y291 HydrophobicContact CB-CD1 3.66Å; A18-Y291 HydrophobicContact CB-CE1 3.51Å; A18-Y291 HydrophobicContact CB-CG 4.45Å; V21-Y291 HydrophobicContact CG1-CD2 4.42Å; V21-Y291 HydrophobicContact CG2-CE2 4.46Å; V287-Y291 VanDerWaalsContact O-CB 3.3Å; V287-Y291 WeakPolarHBondContact O-CB 3.4Å; V287-Y291 PolarHBondContact O-N 2.88Å; L288-Y291 PolarHBondContact O-N 3.5Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.4Å; Y291-E293 VanDerWaalsContact C-N 3.3Å; Y291-E293 PolarHBondContact O-N 3.36Å; Y291-I294 PolarHBondContact O-N 3.38Å; Y291-K295 HydrophobicContact CE1-CD 4.44Å; Y291-K295 WeakPolarHBondContact O-CB 3.18Å; Y291-K295 PolarHBondContact O-N 3.27Å
292D76.9Confident80.8Confident91 Ų9183.7 Ų83.749%0.48742%0.423SS..Hα-helixtrans-64.6-36177.4-70.3-19.8000111.7L288 V289 K296L288-D292 PolarHBondContact O-N 3.03Å; V289-D292 PolarHBondContact O-N 2.88Å; D292-K296 PolarHBondContact O-N 3.11Å
293E78.9Confident80.2Confident77 Ų7784.1 Ų84.136%0.3643%0.425SS..Hα-helixtrans-69.1-46.1176.5-161.860.4-152.600111.9V289 L290 Y291 K295 K296 Y297V289-E293 PolarHBondContact O-N 3.07Å; L290-E293 PolarHBondContact O-N 2.69Å; Y291-E293 VanDerWaalsContact C-N 3.3Å; Y291-E293 PolarHBondContact O-N 3.36Å; E293-K295 VanDerWaalsContact C-N 3.28Å; E293-K295 PolarHBondContact O-N 2.9Å; E293-K296 WeakPolarHBondContact O-CB 3.45Å; E293-K296 PolarHBondContact O-N 3.36Å; E293-K296 VanDerWaalsContact O-N 3.11Å; E293-K296 IonicContact OE1-NZ 3.83Å; E293-K296 IonicContact OE2-NZ 2.72Å; E293-K296 PolarHBondContact OE2-NZ 3.39Å; E293-Y297 HydrophobicContact CG-CE2 4.3Å; E293-Y297 WeakPolarHBondContact O-CD2 3.34Å; E293-Y297 WeakPolarHBondContact O-CE2 3.16Å
294I77.4Confident79.6Confident107 Ų10788 Ų8855%0.54944%0.436SS..Hα-helixtrans-60.6-39.9176.5-68.9164.9000110.7L290 Y291 K296 Y297L290-I294 WeakPolarHBondContact O-CB 3.42Å; L290-I294 WeakPolarHBondContact O-CD1 3.39Å; L290-I294 VanDerWaalsContact O-CG1 3.24Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 2.98Å; Y291-I294 PolarHBondContact O-N 3.38Å; I294-K296 PolarHBondContact O-N 2.72Å; I294-K296 VanDerWaalsContact O-N 3.17Å; I294-Y297 PolarHBondContact O-N 3.14Å
295K74.4Confident79.2Confident109 Ų10993.8 Ų93.847%0.47446%0.462SS..Hα-helixtrans-62.3-20.1178.5-170.7-179.6175.6-170.60113.3Y291 E293 Y297 V298Y291-K295 HydrophobicContact CE1-CD 4.44Å; Y291-K295 WeakPolarHBondContact O-CB 3.18Å; Y291-K295 PolarHBondContact O-N 3.27Å; E293-K295 VanDerWaalsContact C-N 3.28Å; E293-K295 PolarHBondContact O-N 2.9Å; K295-Y297 VanDerWaalsContact C-N 3.25Å; K295-Y297 PolarHBondContact O-N 3.41Å; K295-V298 VanDerWaalsContact O-OXT 3.13Å
296K78.3Confident78.5Confident146 Ų14699.5 Ų99.564%0.63549%0.485SS*.THydrogen-bonded Turntrans-72.4-20.5173.8-65.1171-175169.30113D292 E293 I294D292-K296 PolarHBondContact O-N 3.11Å; E293-K296 WeakPolarHBondContact O-CB 3.45Å; E293-K296 PolarHBondContact O-N 3.36Å; E293-K296 VanDerWaalsContact O-N 3.11Å; E293-K296 IonicContact OE1-NZ 3.83Å; E293-K296 IonicContact OE2-NZ 2.72Å; E293-K296 PolarHBondContact OE2-NZ 3.39Å; I294-K296 PolarHBondContact O-N 2.72Å; I294-K296 VanDerWaalsContact O-N 3.17Å
297Y75Confident77.7Confident187 Ų18798.7 Ų98.773%0.73349%0.486SS*.THydrogen-bonded Turntrans-101.2-1.5-176.8-61.2-78.6000113.8E293 I294 K295E293-Y297 HydrophobicContact CG-CE2 4.3Å; E293-Y297 WeakPolarHBondContact O-CD2 3.34Å; E293-Y297 WeakPolarHBondContact O-CE2 3.16Å; I294-Y297 PolarHBondContact O-N 3.14Å; K295-Y297 VanDerWaalsContact C-N 3.25Å; K295-Y297 PolarHBondContact O-N 3.41Å
298V65Low77.3Confident168 Ų168105 Ų105100%1.01851%0.514SS*.  trans-1210-179.9-175.70000109.4K295K295-V298 VanDerWaalsContact O-OXT 3.13Å

Retrieved 298 of 298 residues in 90.2 ms (Link to these results)

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