A0A060IV58_9CETA Loading...

ADP/ATP translocase

Catalyzes the exchange of ADP and ATP across the membrane.

AlphaFold DB (P02722), UniProt , Accession A0A060IV58, Species 9CETA (Bos mutus, wild yak), 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
1M58.7Low83.3Confident162 Ų162102.5 Ų102.580%0.79854%0.539SS*.  0136.40-88.416857.400107.5A5 L6 L9M1-A5 HydrophobicContact CB-CB 4.31Å; M1-A5 HydrophobicContact CE-CB 4.23Å; M1-A5 HydrophobicContact CG-CB 4.36Å; M1-L6 HydrophobicContact CE-CB 3.86Å; M1-L6 HydrophobicContact CE-CD1 3.85Å; M1-L6 HydrophobicContact CE-CG 4.49Å; M1-L9 HydrophobicContact CE-CB 4.39Å; M1-L9 HydrophobicContact CE-CD2 4.03Å
2S82Confident83.4Confident72 Ų7298 Ų9850%0.50351%0.512SS..  trans-66.4155.1169.258.90000110.1Q4 A5 L6S2-Q4 PolarHBondContact O-N 3.22Å; S2-Q4 VanDerWaalsContact O-N 3.14Å; S2-A5 WeakPolarHBondContact O-CB 3.13Å; S2-A5 PolarHBondContact O-N 3.41Å; S2-A5 PolarHBondContact OG-N 3.33Å; S2-L6 PolarHBondContact O-N 3.22Å; S2-L6 VanDerWaalsContact O-N 3.07Å
3D87.1Confident83.7Confident139 Ų13997.4 Ų97.474%0.74351%0.509SS*.Hα-helixtrans-54.3-33.9177.1-68.3-28.7000112.3L6 S7D3-L6 PolarHBondContact O-N 3.37Å; D3-S7 VanDerWaalsContact O-CB 3.31Å; D3-S7 WeakPolarHBondContact O-CB 3.31Å; D3-S7 PolarHBondContact O-N 3.19Å
4Q85.8Confident83.9Confident163 Ų16392.8 Ų92.876%0.76249%0.492SS*.Hα-helixtrans-63.5-44.1174.1-67.8179.3-1200112.5S2 L6 S7 F8S2-Q4 PolarHBondContact O-N 3.22Å; S2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 2.74Å; Q4-S7 PolarHBondContact O-N 2.85Å; Q4-F8 WeakPolarHBondContact O-CB 3.4Å; Q4-F8 PolarHBondContact O-N 3.36Å
5A86.7Confident84.1Confident38 Ų3888.2 Ų88.231%0.31448%0.476SS..Hα-helixtrans-66-37.2177.700000111.5M1 S2 L9M1-A5 HydrophobicContact CB-CB 4.31Å; M1-A5 HydrophobicContact CE-CB 4.23Å; M1-A5 HydrophobicContact CG-CB 4.36Å; S2-A5 WeakPolarHBondContact O-CB 3.13Å; S2-A5 PolarHBondContact O-N 3.41Å; S2-A5 PolarHBondContact OG-N 3.33Å; A5-L9 WeakPolarHBondContact O-CB 3.12Å; A5-L9 PolarHBondContact O-N 3.04Å
6L88.1Confident84.5Confident72 Ų7282.8 Ų82.838%0.37745%0.447SS..Hα-helixtrans-69-44.1176.2-174.961.9000112.1M1 S2 D3 Q4 L9 K10M1-L6 HydrophobicContact CE-CB 3.86Å; M1-L6 HydrophobicContact CE-CD1 3.85Å; M1-L6 HydrophobicContact CE-CG 4.49Å; S2-L6 PolarHBondContact O-N 3.22Å; S2-L6 VanDerWaalsContact O-N 3.07Å; D3-L6 PolarHBondContact O-N 3.37Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 2.74Å; L6-L9 PolarHBondContact O-N 2.93Å; L6-K10 WeakPolarHBondContact O-CG 3.26Å; L6-K10 PolarHBondContact O-N 2.9Å
7S86.2Confident84.8Confident63 Ų6382.6 Ų82.644%0.44145%0.449SS..Hα-helixtrans-59.5-49175.4-173.60000111.2D3 Q4 L9 K10 D11D3-S7 VanDerWaalsContact O-CB 3.31Å; D3-S7 WeakPolarHBondContact O-CB 3.31Å; D3-S7 PolarHBondContact O-N 3.19Å; Q4-S7 PolarHBondContact O-N 2.85Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 3.39Å; S7-K10 PolarHBondContact O-N 3.15Å; S7-D11 PolarHBondContact O-N 3.35Å
8F84.2Confident85Confident108 Ų10878.6 Ų78.647%0.47443%0.429SS..Hα-helixtrans-57.1-45.2175.7175.1-96.6000112.4Q4 K10 D11 F12Q4-F8 WeakPolarHBondContact O-CB 3.4Å; Q4-F8 PolarHBondContact O-N 3.36Å; F8-K10 PolarHBondContact O-N 3.44Å; F8-D11 PolarHBondContact O-N 3.47Å; F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 3.45Å
9L86.4Confident85.3Confident71 Ų7174.8 Ų74.837%0.37241%0.409SS..Hα-helixtrans-63.5-41.9178.8-177.562.7000111.6M1 A5 L6 S7 F12 L13M1-L9 HydrophobicContact CE-CB 4.39Å; M1-L9 HydrophobicContact CE-CD2 4.03Å; A5-L9 WeakPolarHBondContact O-CB 3.12Å; A5-L9 PolarHBondContact O-N 3.04Å; L6-L9 PolarHBondContact O-N 2.93Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-L9 PolarHBondContact O-N 3.39Å; L9-F12 PolarHBondContact O-N 2.82Å; L9-L13 HydrophobicContact CD1-CD1 4.01Å; L9-L13 HydrophobicContact CD1-CG 4.08Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.09Å; L9-L13 PolarHBondContact O-N 3.5Å
10K87.2Confident85.7Confident133 Ų13372.4 Ų72.458%0.57840%0.399SS*.Hα-helixtrans-60.8-48.4176.1-74.7177178.6-179.10111.3L6 S7 F8 L13 A14L6-K10 WeakPolarHBondContact O-CG 3.26Å; L6-K10 PolarHBondContact O-N 2.9Å; S7-K10 PolarHBondContact O-N 3.15Å; F8-K10 PolarHBondContact O-N 3.44Å; K10-L13 PolarHBondContact O-N 2.94Å; K10-A14 VanDerWaalsContact O-CB 3.28Å; K10-A14 WeakPolarHBondContact O-CB 3.35Å; K10-A14 PolarHBondContact O-N 2.88Å
11D84Confident86Confident106 Ų10672.8 Ų72.857%0.56740%0.4SS*.Hα-helixtrans-65.1-41.6179.3-73.3-19.2000112.2S7 F8 A14 G15S7-D11 PolarHBondContact O-N 3.35Å; F8-D11 PolarHBondContact O-N 3.47Å; D11-A14 PolarHBondContact O-N 3.27Å; D11-G15 PolarHBondContact O-N 3.37Å
12F84.5Confident87.6Confident49 Ų4965.7 Ų65.722%0.21537%0.367CS..Hα-helixtrans-62.9-44.8177.1-178.3-100.1000111.9F8 L9 G16 F82 Q85F8-F12 WeakPolarHBondContact O-CB 3.31Å; F8-F12 PolarHBondContact O-N 3.45Å; L9-F12 PolarHBondContact O-N 2.82Å; F12-G16 PolarHBondContact O-N 3.19Å; F12-F82 AromaticContact CE1-CD1 3.73Å; F12-F82 HydrophobicContact CE1-CD1 3.73Å; F12-F82 HydrophobicContact CE1-CE1 4.39Å; F12-F82 HydrophobicContact CZ-CB 4.27Å; F12-F82 AromaticContact CZ-CD1 3.79Å; F12-F82 HydrophobicContact CZ-CD1 3.79Å; F12-Q85 HydrophobicContact CE2-CB 4.14Å
13L87.5Confident88.2Confident90 Ų9064 Ų6447%0.47135%0.35SS..Hα-helixtrans-68.4-43.8177.6-70.7175.5000111.7L9 K10 G15 G16 V17L9-L13 HydrophobicContact CD1-CD1 4.01Å; L9-L13 HydrophobicContact CD1-CG 4.08Å; L9-L13 HydrophobicContact CG-CD1 3.95Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 WeakPolarHBondContact O-CB 3.25Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.09Å; L9-L13 PolarHBondContact O-N 3.5Å; K10-L13 PolarHBondContact O-N 2.94Å; L13-G15 PolarHBondContact O-N 3.07Å; L13-G16 WeakPolarHBondContact O-CA 3.34Å; L13-G16 PolarHBondContact O-N 3.48Å; L13-G16 VanDerWaalsContact O-N 3.13Å; L13-V17 WeakPolarHBondContact O-CG2 2.98Å; L13-V17 PolarHBondContact O-N 2.7Å
14A86.5Confident88.6Confident33 Ų3360 Ų6027%0.27333%0.33SS..Hα-helixtrans-60.2-45.5176.500000111.5K10 D11 G16 V17 A18K10-A14 VanDerWaalsContact O-CB 3.28Å; K10-A14 WeakPolarHBondContact O-CB 3.35Å; K10-A14 PolarHBondContact O-N 2.88Å; D11-A14 PolarHBondContact O-N 3.27Å; A14-G16 VanDerWaalsContact C-N 3.32Å; A14-G16 PolarHBondContact O-N 2.76Å; A14-V17 PolarHBondContact O-N 3.16Å; A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 3.43Å
15G86.6Confident89Confident24 Ų2454.9 Ų54.925%0.24732%0.317CS..Hα-helixtrans-62.2-38.4173.400000112.8D11 L13 A19 Y81D11-G15 PolarHBondContact O-N 3.37Å; L13-G15 PolarHBondContact O-N 3.07Å; G15-A19 VanDerWaalsContact O-CB 3.22Å; G15-A19 WeakPolarHBondContact O-CB 3.48Å; G15-A19 PolarHBondContact O-N 2.9Å; G15-Y81 PolarHBondContact O-OH 2.87Å
16G89.9Confident89.5Confident1 Ų153.8 Ų53.81%0.0131%0.306CS..Hα-helixtrans-61.4-45.6174.200000113.5F12 L13 A14 A19 A20F12-G16 PolarHBondContact O-N 3.19Å; L13-G16 WeakPolarHBondContact O-CA 3.34Å; L13-G16 PolarHBondContact O-N 3.48Å; L13-G16 VanDerWaalsContact O-N 3.13Å; A14-G16 VanDerWaalsContact C-N 3.32Å; A14-G16 PolarHBondContact O-N 2.76Å; G16-A19 PolarHBondContact O-N 3.28Å; G16-A20 WeakPolarHBondContact O-CB 3.12Å; G16-A20 PolarHBondContact O-N 3.25Å
17V89.8Confident89.9Confident81 Ų8150.6 Ų50.649%0.49129%0.29SS..Hα-helixtrans-65.5-49.3177.2172.50000110.8L13 A14 A19 A20 I21L13-V17 WeakPolarHBondContact O-CG2 2.98Å; L13-V17 PolarHBondContact O-N 2.7Å; A14-V17 PolarHBondContact O-N 3.16Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.13Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.36Å; V17-I21 HydrophobicContact CG1-CD1 3.89Å; V17-I21 HydrophobicContact CG1-CG1 4.48Å; V17-I21 WeakPolarHBondContact O-CG1 3.35Å; V17-I21 PolarHBondContact O-N 2.9Å
18A89.3Confident90.4Very high10 Ų1049.2 Ų49.28%0.08328%0.279CS..Hα-helixtrans-57.3-42.2177.100000111.6A14 I21 S22 L288 Y291A14-A18 WeakPolarHBondContact O-CB 3.39Å; A14-A18 PolarHBondContact O-N 3.43Å; A18-I21 PolarHBondContact O-N 2.65Å; A18-S22 WeakPolarHBondContact O-CB 3.36Å; A18-S22 PolarHBondContact O-N 3.22Å; A18-L288 HydrophobicContact CB-CD2 4.33Å; A18-Y291 HydrophobicContact CB-CD1 3.91Å; A18-Y291 HydrophobicContact CB-CE1 3.76Å; A18-Y291 HydrophobicContact CB-CE2 4.39Å; A18-Y291 HydrophobicContact CB-CG 4.28Å
19A90.3Very high91Very high7 Ų745.7 Ų45.76%0.05827%0.265CS..Hα-helixtrans-67.6-37.4175.800000113.1G15 G16 V17 K23 Y81G15-A19 VanDerWaalsContact O-CB 3.22Å; G15-A19 WeakPolarHBondContact O-CB 3.48Å; G15-A19 PolarHBondContact O-N 2.9Å; G16-A19 PolarHBondContact O-N 3.28Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.13Å; A19-K23 WeakPolarHBondContact O-CB 3.31Å; A19-K23 WeakPolarHBondContact O-CD 3.37Å; A19-K23 WeakPolarHBondContact O-CG 3.49Å; A19-K23 PolarHBondContact O-N 2.86Å; A19-Y81 HydrophobicContact CB-CD1 3.71Å; A19-Y81 HydrophobicContact CB-CD2 3.5Å; A19-Y81 VanDerWaalsContact CB-CD2 3.5Å; A19-Y81 HydrophobicContact CB-CE1 3.56Å; A19-Y81 HydrophobicContact CB-CE2 3.31Å; A19-Y81 HydrophobicContact CB-CG 3.68Å
20A92.7Very high91.5Very high25 Ų2542.8 Ų42.821%0.20725%0.25CC..Hα-helixtrans-64-44.2175.700000111.3G16 V17 T24 V78G16-A20 WeakPolarHBondContact O-CB 3.12Å; G16-A20 PolarHBondContact O-N 3.25Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.36Å; A20-T24 VanDerWaalsContact O-CB 3.23Å; A20-T24 WeakPolarHBondContact O-CB 3.28Å; A20-T24 PolarHBondContact O-N 3.34Å; A20-T24 PolarHBondContact O-OG1 2.8Å; A20-V78 HydrophobicContact CB-CG1 3.76Å
21I92.4Very high92Very high81 Ų8136.6 Ų36.642%0.41522%0.223SC..Hα-helixtrans-61.5-54.5175.3-66.4168.5000109.9V17 A18 K23 T24 A25 V287V17-I21 HydrophobicContact CG1-CD1 3.89Å; V17-I21 HydrophobicContact CG1-CG1 4.48Å; V17-I21 WeakPolarHBondContact O-CG1 3.35Å; V17-I21 PolarHBondContact O-N 2.9Å; A18-I21 PolarHBondContact O-N 2.65Å; I21-K23 PolarHBondContact O-N 2.67Å; I21-T24 PolarHBondContact O-N 2.94Å; I21-T24 VanDerWaalsContact O-N 3.11Å; I21-A25 WeakPolarHBondContact O-CB 3.33Å; I21-A25 PolarHBondContact O-N 3.12Å; I21-V287 HydrophobicContact CG2-CG1 4.16Å
22S92.5Very high92.7Very high14 Ų1431.6 Ų31.610%0.09820%0.196CC..Hα-helixtrans-56.5-47.9-179.7177.50000112A18 T24 A25 V26 G284A18-S22 WeakPolarHBondContact O-CB 3.36Å; A18-S22 PolarHBondContact O-N 3.22Å; S22-T24 VanDerWaalsContact C-N 3.32Å; S22-T24 PolarHBondContact O-N 2.77Å; S22-A25 PolarHBondContact O-N 2.76Å; S22-V26 WeakPolarHBondContact O-CG2 3.46Å; S22-V26 PolarHBondContact O-N 2.86Å; S22-V26 VanDerWaalsContact O-N 3.13Å; S22-G284 PolarHBondContact OG-O 2.97Å
23K93.7Very high93.3Very high36 Ų3629.6 Ų29.616%0.15719%0.187CC..Hα-helixtrans-63-37.5177.7-76.1172.8178.4-70.70112.9A19 I21 A27 N74 N77 V78A19-K23 WeakPolarHBondContact O-CB 3.31Å; A19-K23 WeakPolarHBondContact O-CD 3.37Å; A19-K23 WeakPolarHBondContact O-CG 3.49Å; A19-K23 PolarHBondContact O-N 2.86Å; I21-K23 PolarHBondContact O-N 2.67Å; K23-A27 WeakPolarHBondContact O-CB 3.3Å; K23-A27 PolarHBondContact O-N 2.98Å; K23-N74 PolarHBondContact O-OD1 3.17Å; K23-N77 WeakPolarHBondContact CD-O 3.16Å; K23-N77 WeakPolarHBondContact CE-O 3.25Å; K23-N77 PolarHBondContact NZ-O 2.75Å; K23-N77 PolarHBondContact NZ-OD1 3.4Å; K23-V78 HydrophobicContact CB-CG2 4.19Å; K23-V78 HydrophobicContact CD-CG2 4.41Å
24T96.1Very high93.8Very high54 Ų5425.4 Ų25.433%0.33117%0.165SC..Hα-helixtrans-71.8-41.4179.1-58.90000111.1A20 I21 S22 V26 A27 W71 N74A20-T24 VanDerWaalsContact O-CB 3.23Å; A20-T24 WeakPolarHBondContact O-CB 3.28Å; A20-T24 PolarHBondContact O-N 3.34Å; A20-T24 PolarHBondContact O-OG1 2.8Å; I21-T24 PolarHBondContact O-N 2.94Å; I21-T24 VanDerWaalsContact O-N 3.11Å; S22-T24 VanDerWaalsContact C-N 3.32Å; S22-T24 PolarHBondContact O-N 2.77Å; T24-V26 VanDerWaalsContact C-N 3.32Å; T24-V26 PolarHBondContact O-N 3.26Å; T24-A27 WeakPolarHBondContact O-CB 3.27Å; T24-A27 PolarHBondContact O-N 3.05Å; T24-W71 PolarHBondContact O-NE1 3.04Å; T24-N74 PolarHBondContact OG1-ND2 3.28Å
25A95.1Very high94.4Very high57 Ų5723.9 Ų23.947%0.47115%0.153SC..Hα-helixtrans-60.1-41.2175.900000112.1I21 S22 V287I21-A25 WeakPolarHBondContact O-CB 3.33Å; I21-A25 PolarHBondContact O-N 3.12Å; S22-A25 PolarHBondContact O-N 2.76Å; A25-V287 HydrophobicContact CB-CG2 3.94Å
26V95.8Very high94.9Very high15 Ų1523.3 Ų23.39%0.09114%0.144CC..THydrogen-bonded Turntrans-93.23.3-179.5-51.70000114.5S22 T24 P28 I29 E30 R280S22-V26 WeakPolarHBondContact O-CG2 3.46Å; S22-V26 PolarHBondContact O-N 2.86Å; S22-V26 VanDerWaalsContact O-N 3.13Å; T24-V26 VanDerWaalsContact C-N 3.32Å; T24-V26 PolarHBondContact O-N 3.26Å; V26-P28 VanDerWaalsContact C-CD 3.49Å; V26-I29 HydrophobicContact CB-CG2 4.27Å; V26-I29 WeakPolarHBondContact O-CG2 3.17Å; V26-I29 PolarHBondContact O-N 3.1Å; V26-E30 PolarHBondContact O-N 2.67Å; V26-R280 HydrophobicContact CB-CG 3.92Å; V26-R280 HydrophobicContact CG2-CG 3.68Å
27A96.9Very high95.3Very high5 Ų523.3 Ų23.34%0.04114%0.143CC..Hα-helixtrans-60.1-39.5-178.500000113.8K23 T24 I29 E30 R31 W71 N74K23-A27 WeakPolarHBondContact O-CB 3.3Å; K23-A27 PolarHBondContact O-N 2.98Å; T24-A27 WeakPolarHBondContact O-CB 3.27Å; T24-A27 PolarHBondContact O-N 3.05Å; A27-I29 PolarHBondContact O-N 3.36Å; A27-E30 PolarHBondContact O-N 3.41Å; A27-R31 PolarHBondContact O-N 3.41Å; A27-W71 VanDerWaalsContact CB-CD1 3.42Å; A27-W71 HydrophobicContact CB-CG 4.17Å; A27-N74 HydrophobicContact CB-CB 3.96Å
28P97.6Very high95.7Very high33 Ų3319.5 Ų19.521%0.21412%0.12CC..Hα-helixtrans-58.3-46.2178.9-2736000113.4V26 R31 V32 F70 W71V26-P28 VanDerWaalsContact C-CD 3.49Å; P28-R31 WeakPolarHBondContact O-CB 3.11Å; P28-R31 PolarHBondContact O-N 3.16Å; P28-V32 WeakPolarHBondContact O-CG2 3.38Å; P28-V32 PolarHBondContact O-N 3.4Å; P28-F70 HydrophobicContact CB-CB 3.94Å; P28-F70 HydrophobicContact CB-CD1 3.85Å; P28-F70 HydrophobicContact CB-CG 4.02Å; P28-F70 HydrophobicContact CG-CB 4.07Å; P28-W71 HydrophobicContact CG-CD2 4.48Å; P28-W71 HydrophobicContact CG-CH2 3.9Å; P28-W71 HydrophobicContact CG-CZ2 3.59Å; P28-W71 HydrophobicContact CG-CZ3 4.45Å
29I96.8Very high96Very high35 Ų3519.3 Ų19.318%0.17912%0.118CC..Hα-helixtrans-72.2-31.1179.5-170.860.6000112V26 A27 V32 K33 I54 S276 L279 R280V26-I29 HydrophobicContact CB-CG2 4.27Å; V26-I29 WeakPolarHBondContact O-CG2 3.17Å; V26-I29 PolarHBondContact O-N 3.1Å; A27-I29 PolarHBondContact O-N 3.36Å; I29-V32 HydrophobicContact CD1-CB 4.33Å; I29-V32 HydrophobicContact CD1-CG1 4.5Å; I29-V32 PolarHBondContact O-N 3.26Å; I29-K33 PolarHBondContact O-N 3.42Å; I29-I54 HydrophobicContact CD1-CG2 4.22Å; I29-S276 WeakPolarHBondContact CG1-O 3.42Å; I29-L279 HydrophobicContact CD1-CD1 4.38Å; I29-L279 HydrophobicContact CG1-CB 4.17Å; I29-R280 HydrophobicContact CG2-CB 3.86Å; I29-R280 HydrophobicContact CG2-CG 4.27Å
30E96.7Very high96.3Very high9 Ų921.2 Ų21.24%0.04213%0.125CC..Hα-helixtrans-65.7-39.6170.8-179.474.7152.400111.9V26 A27 V32 K33 L34 R138 R280V26-E30 PolarHBondContact O-N 2.67Å; A27-E30 PolarHBondContact O-N 3.41Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 3.28Å; E30-K33 WeakPolarHBondContact O-CB 3.42Å; E30-K33 PolarHBondContact O-N 3.34Å; E30-K33 VanDerWaalsContact OE2-CD 3.25Å; E30-K33 WeakPolarHBondContact OE2-CD 3.21Å; E30-L34 HydrophobicContact CG-CD1 4.03Å; E30-L34 WeakPolarHBondContact O-CG 3.47Å; E30-L34 PolarHBondContact O-N 2.81Å; E30-R138 IonicContact OE1-CZ 3.82Å; E30-R138 IonicContact OE1-NE 3.4Å; E30-R138 IonicContact OE1-NH1 3.6Å; E30-R138 PolarHBondContact OE1-NH1 3.47Å; E30-R138 IonicContact OE1-NH2 3.89Å; E30-R138 PolarHBondContact OE1-NH2 2.93Å; E30-R280 VanDerWaalsContact CD-CD 3.49Å; E30-R280 WeakPolarHBondContact OE2-CD 3.05Å; E30-R280 IonicContact OE2-NE 2.73Å; E30-R280 PolarHBondContact OE2-NE 2.92Å
31R97.7Very high96.4Very high4 Ų420 Ų202%0.01512%0.115CC..Hα-helixtrans-60.8-43.8174.5174.765.1-174.8-158.712.3110.5A27 P28 L34 L35 I61 Q65 F70 L141 A142 D144A27-R31 PolarHBondContact O-N 3.41Å; P28-R31 WeakPolarHBondContact O-CB 3.11Å; P28-R31 PolarHBondContact O-N 3.16Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-L35 HydrophobicContact CG-CD1 4.18Å; R31-L35 WeakPolarHBondContact O-CG 3.23Å; R31-L35 PolarHBondContact O-N 2.79Å; R31-I61 HydrophobicContact CG-CD1 4.45Å; R31-Q65 VanDerWaalsContact NH2-OE1 3.12Å; R31-F70 VanDerWaalsContact CB-O 3.26Å; R31-F70 WeakPolarHBondContact CB-O 3.32Å; R31-L141 PolarHBondContact NH1-O 3.31Å; R31-A142 VanDerWaalsContact CD-O 3.25Å; R31-A142 WeakPolarHBondContact CD-O 3.31Å; R31-A142 PolarHBondContact NE-O 3.27Å; R31-A142 PolarHBondContact NH1-O 3.33Å; R31-A142 PolarHBondContact NH2-O 3.15Å; R31-D144 PolarHBondContact NH2-O 2.97Å
32V97.9Very high96.5Very high1 Ų116.9 Ų16.91%0.00610%0.101CC..Hα-helixtrans-60.2-46.5174.3173.20000111.4P28 I29 E30 L34 L35 L36 I54 C57 V58 I61 F70P28-V32 WeakPolarHBondContact O-CG2 3.38Å; P28-V32 PolarHBondContact O-N 3.4Å; I29-V32 HydrophobicContact CD1-CB 4.33Å; I29-V32 HydrophobicContact CD1-CG1 4.5Å; I29-V32 PolarHBondContact O-N 3.26Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 3.28Å; V32-L34 PolarHBondContact O-N 3.22Å; V32-L35 PolarHBondContact O-N 3.16Å; V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 3.35Å; V32-I54 HydrophobicContact CG1-CB 4.3Å; V32-I54 HydrophobicContact CG1-CG1 4.25Å; V32-I54 HydrophobicContact CG1-CG2 4.08Å; V32-C57 HydrophobicContact CB-CB 4.33Å; V32-C57 HydrophobicContact CG1-CB 3.73Å; V32-C57 HydrophobicContact CG2-CB 3.96Å; V32-V58 HydrophobicContact CG2-CG2 3.88Å; V32-I61 HydrophobicContact CG2-CD1 3.97Å; V32-F70 HydrophobicContact CG2-CE1 4.42Å
33K98.1Very high96.4Very high7 Ų720.9 Ų20.93%0.0312%0.116CC..Hα-helixtrans-51.7-56174.8178.4-156.8169177.30110.6I29 E30 L35 L36 Q37 Y229 D232 N277I29-K33 PolarHBondContact O-N 3.42Å; E30-K33 WeakPolarHBondContact O-CB 3.42Å; E30-K33 PolarHBondContact O-N 3.34Å; E30-K33 VanDerWaalsContact OE2-CD 3.25Å; E30-K33 WeakPolarHBondContact OE2-CD 3.21Å; K33-L35 PolarHBondContact O-N 3.45Å; K33-L36 PolarHBondContact O-N 2.86Å; K33-Q37 VanDerWaalsContact O-CB 3.23Å; K33-Q37 WeakPolarHBondContact O-CB 3.29Å; K33-Q37 PolarHBondContact O-N 2.98Å; K33-Y229 VanDerWaalsContact CE-OH 3.27Å; K33-Y229 WeakPolarHBondContact CE-OH 3.39Å; K33-D232 WeakPolarHBondContact CE-OD2 3.41Å; K33-D232 IonicContact NZ-OD2 2.9Å; K33-D232 PolarHBondContact NZ-OD2 3.18Å; K33-N277 HydrophobicContact CD-CB 3.84Å; K33-N277 HydrophobicContact CG-CB 4.28Å; K33-N277 PolarHBondContact NZ-OD1 2.81Å
34L98.2Very high96.4Very high2 Ų222.1 Ų22.11%0.0112%0.123CC..Hα-helixtrans-64.8-41.8-173-71.1170.4000111.4E30 R31 V32 Q37 V38 A142 R236E30-L34 HydrophobicContact CG-CD1 4.03Å; E30-L34 WeakPolarHBondContact O-CG 3.47Å; E30-L34 PolarHBondContact O-N 2.81Å; R31-L34 PolarHBondContact O-N 3.41Å; V32-L34 PolarHBondContact O-N 3.22Å; L34-Q37 PolarHBondContact O-N 3.36Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.9Å; L34-A142 HydrophobicContact CB-CB 3.89Å; L34-A142 HydrophobicContact CD1-CB 3.31Å; L34-A142 HydrophobicContact CG-CB 4.21Å; L34-R236 HydrophobicContact CD2-CG 4.24Å
35L98.1Very high96.2Very high1 Ų120.2 Ų20.21%0.00511%0.111CC..Hα-helixtrans-59.4-51.6174.4-75.9171000111.7R31 V32 K33 Q37 V38 Q39 I45 Y51 I61 V145R31-L35 HydrophobicContact CG-CD1 4.18Å; R31-L35 WeakPolarHBondContact O-CG 3.23Å; R31-L35 PolarHBondContact O-N 2.79Å; V32-L35 PolarHBondContact O-N 3.16Å; K33-L35 PolarHBondContact O-N 3.45Å; L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 PolarHBondContact O-N 2.71Å; L35-V38 PolarHBondContact O-N 3.41Å; L35-Q39 WeakPolarHBondContact O-CA 3.46Å; L35-Q39 WeakPolarHBondContact O-CB 3.11Å; L35-Q39 WeakPolarHBondContact O-CG 3.17Å; L35-Q39 PolarHBondContact O-N 3.34Å; L35-I45 HydrophobicContact CD2-CD1 4.23Å; L35-Y51 HydrophobicContact CB-CD2 4.32Å; L35-Y51 HydrophobicContact CB-CE2 4.26Å; L35-Y51 HydrophobicContact CD1-CE2 4.05Å; L35-Y51 HydrophobicContact CD2-CE2 4.26Å; L35-Y51 HydrophobicContact CG-CE2 4.44Å; L35-I61 HydrophobicContact CD1-CD1 3.61Å; L35-I61 HydrophobicContact CD1-CG1 3.88Å; L35-V145 HydrophobicContact CD2-CG1 3.71Å
36L97.8Very high96.1Very high12 Ų1219.5 Ų19.56%0.06310%0.102CC..Hα-helixtrans-59.9-40.4179.1-71.1173.1000112.2V32 K33 I54 C57 K272V32-L36 HydrophobicContact CG1-CD1 3.83Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 3.35Å; K33-L36 PolarHBondContact O-N 2.86Å; L36-I54 HydrophobicContact CD1-CG1 3.86Å; L36-C57 VanDerWaalsContact CD2-SG 3.58Å; L36-K272 WeakPolarHBondContact O-CB 3.36Å
37Q97.7Very high95.9Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-69-35.4-177.2-167.7174.136.200112.2K33 L34 L35 Y229 D232 T233 R236 R237K33-Q37 VanDerWaalsContact O-CB 3.23Å; K33-Q37 WeakPolarHBondContact O-CB 3.29Å; K33-Q37 PolarHBondContact O-N 2.98Å; L34-Q37 PolarHBondContact O-N 3.36Å; L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 PolarHBondContact O-N 2.71Å; Q37-Y229 PolarHBondContact NE2-OH 2.81Å; Q37-D232 PolarHBondContact NE2-OD2 2.93Å; Q37-D232 PolarHBondContact OE1-OD2 3.44Å; Q37-T233 HydrophobicContact CG-CG2 4.05Å; Q37-T233 VanDerWaalsContact NE2-CA 3.29Å; Q37-T233 PolarHBondContact NE2-OG1 3.33Å; Q37-R236 VanDerWaalsContact OE1-CG 3.28Å; Q37-R237 PolarHBondContact O-NE 3.31Å; Q37-R237 PolarHBondContact O-NH2 3.4Å
38V97.6Very high95.8Very high1 Ų129.1 Ų29.11%0.00616%0.158CC..Hα-helixtrans-113.1-8.3-170.9-51.40000115.9L34 L35 H40 A41 S42 T139 A143 R236 M240L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.9Å; L35-V38 PolarHBondContact O-N 3.41Å; V38-H40 VanDerWaalsContact C-N 3.25Å; V38-H40 PolarHBondContact O-N 2.54Å; V38-H40 VanDerWaalsContact O-N 3.09Å; V38-A41 CarbonylContact O-C 3.59Å; V38-A41 WeakPolarHBondContact O-CA 3.18Å; V38-A41 PolarHBondContact O-N 3.35Å; V38-S42 PolarHBondContact O-N 3.46Å; V38-T139 HydrophobicContact CG1-CG2 4.44Å; V38-A143 HydrophobicContact CG2-CB 3.53Å; V38-R236 HydrophobicContact CG1-CB 3.5Å; V38-R236 VanDerWaalsContact CG1-CB 3.5Å; V38-M240 HydrophobicContact CB-CG 3.95Å; V38-M240 HydrophobicContact CB-SD 4.46Å; V38-M240 HydrophobicContact CG1-CG 4.3Å; V38-M240 HydrophobicContact CG2-CE 4.41Å; V38-M240 HydrophobicContact CG2-CG 4.4Å; V38-M240 HydrophobicContact CG2-SD 4.29Å
39Q97Very high95.6Very high7 Ų733.5 Ų33.53%0.03317%0.173CC..G310 helixtrans-55.1-32-172.156.4-178.5-28.800115.2L35 A41 S42 I45 Q50 Y51L35-Q39 WeakPolarHBondContact O-CA 3.46Å; L35-Q39 WeakPolarHBondContact O-CB 3.11Å; L35-Q39 WeakPolarHBondContact O-CG 3.17Å; L35-Q39 PolarHBondContact O-N 3.34Å; Q39-A41 PolarHBondContact O-N 2.92Å; Q39-S42 WeakPolarHBondContact O-CB 3.28Å; Q39-S42 PolarHBondContact O-N 3.42Å; Q39-I45 HydrophobicContact CB-CD1 3.99Å; Q39-Q50 HydrophobicContact CG-CG 4.47Å; Q39-Y51 PolarHBondContact NE2-O 3.34Å
40H95.6Very high95.6Very high46 Ų4634 Ų3421%0.21318%0.175CC..G310 helixtrans-73.1-20.4177.8-5543.4000111.7V38 Q50 M250 E265 K272V38-H40 VanDerWaalsContact C-N 3.25Å; V38-H40 PolarHBondContact O-N 2.54Å; V38-H40 VanDerWaalsContact O-N 3.09Å; H40-Q50 PolarHBondContact CE1-OE1 3.28Å; H40-Q50 PolarHBondContact NE2-OE1 2.99Å; H40-Q50 VanDerWaalsContact NE2-OE1 3.1Å; H40-M250 WeakPolarHBondContact O-CE 3.35Å; H40-E265 IonicContact CD2-OE1 2.79Å; H40-E265 IonicContact CD2-OE2 3.22Å; H40-E265 PolarHBondContact CD2-OE2 3.29Å; H40-E265 IonicContact CE1-OE2 2.82Å; H40-E265 IonicContact CG-OE1 3.99Å; H40-E265 IonicContact CG-OE2 2.75Å; H40-E265 VanDerWaalsContact CG-OE2 3.27Å; H40-E265 IonicContact ND1-OE2 3.91Å; H40-E265 IonicContact NE2-OE2 3.45Å; H40-E265 PolarHBondContact NE2-OE2 3.49Å; H40-K272 PolarHBondContact CE1-NZ 2.95Å; H40-K272 PolarHBondContact NE2-NZ 2.85Å
41A94.9Very high95.6Very high0 Ų034.1 Ų34.10%018%0.175CC..G310 helixtrans-99.424.5168.800000112V38 Q39 M240 R244 M250 Y251V38-A41 CarbonylContact O-C 3.59Å; V38-A41 WeakPolarHBondContact O-CA 3.18Å; V38-A41 PolarHBondContact O-N 3.35Å; Q39-A41 PolarHBondContact O-N 2.92Å; A41-M240 HydrophobicContact CB-CB 4Å; A41-M240 HydrophobicContact CB-CG 4.42Å; A41-M240 WeakPolarHBondContact O-CB 3.24Å; A41-R244 PolarHBondContact O-NH2 2.87Å; A41-M250 HydrophobicContact CB-SD 4.16Å; A41-Y251 HydrophobicContact CB-CE2 4.16Å
42S93.9Very high95.5Very high16 Ų1643.3 Ų43.311%0.11222%0.215CC..  trans-87.7144.8171.4-173.50000110.8V38 Q39 Q44 I45V38-S42 PolarHBondContact O-N 3.46Å; Q39-S42 WeakPolarHBondContact O-CB 3.28Å; Q39-S42 PolarHBondContact O-N 3.42Å; S42-Q44 PolarHBondContact OG-N 2.86Å; S42-Q44 VanDerWaalsContact OG-N 3.12Å; S42-I45 PolarHBondContact OG-N 3.2Å
43K91Very high95.4Very high97 Ų9744.3 Ų44.342%0.42223%0.226SC..SBendtrans-86.4-19.5167.1-76-175.4156.6-170.90112.6D248K43-D248 WeakPolarHBondContact CE-OD2 3.39Å; K43-D248 IonicContact NZ-OD2 3.43Å; K43-D248 PolarHBondContact NZ-OD2 2.93Å
44Q93Very high95.4Very high62 Ų6245.9 Ų45.929%0.2923%0.234SC..SBendtrans-99.6-19.6-173.8-66.3166.7-53.800112.8S42 D144 V145 Q151S42-Q44 PolarHBondContact OG-N 2.86Å; S42-Q44 VanDerWaalsContact OG-N 3.12Å; Q44-D144 PolarHBondContact NE2-OD1 2.91Å; Q44-D144 VanDerWaalsContact OE1-CA 3.31Å; Q44-D144 PolarHBondContact OE1-OD1 3.4Å; Q44-V145 HydrophobicContact CB-CG2 3.43Å; Q44-V145 VanDerWaalsContact CB-CG2 3.43Å; Q44-V145 HydrophobicContact CG-CG2 4.32Å; Q44-V145 PolarHBondContact NE2-O 3.07Å; Q44-Q151 PolarHBondContact NE2-O 3.25Å
45I93.6Very high95.3Very high15 Ų1552 Ų528%0.07727%0.266CS..SBendtrans-106.8105.1179.5-54.6170.9000107.4L35 Q39 S42 K49 Q50 Y51 V145L35-I45 HydrophobicContact CD2-CD1 4.23Å; Q39-I45 HydrophobicContact CB-CD1 3.99Å; S42-I45 PolarHBondContact OG-N 3.2Å; I45-K49 HydrophobicContact CG2-CB 4.43Å; I45-Q50 HydrophobicContact CG2-CG 4.02Å; I45-Y51 HydrophobicContact CD1-CE2 3.96Å; I45-V145 HydrophobicContact CD1-CG1 4.07Å; I45-V145 HydrophobicContact CG1-CG1 4.35Å; I45-V145 HydrophobicContact CG1-CG2 3.92Å
46S92.8Very high95.3Very high41 Ų4154 Ų5429%0.28728%0.276SS..  trans-68.8159.8172.456.60000111.2E48 K49 Q50S46-E48 VanDerWaalsContact C-N 3.28Å; S46-E48 VanDerWaalsContact CB-CD 3.48Å; S46-E48 WeakPolarHBondContact CB-OE1 3.27Å; S46-E48 VanDerWaalsContact CB-OE2 3.28Å; S46-E48 WeakPolarHBondContact CB-OE2 3.49Å; S46-E48 PolarHBondContact O-N 2.87Å; S46-E48 PolarHBondContact OG-OE1 3.24Å; S46-E48 PolarHBondContact OG-OE2 2.83Å; S46-K49 CarbonylContact O-C 3.59Å; S46-K49 PolarHBondContact O-N 2.94Å; S46-K49 WeakPolarHBondContact OG-CG 3.47Å; S46-Q50 PolarHBondContact O-N 3.47Å
47A91.4Very high95.3Very high74 Ų7453.4 Ų53.461%0.61227%0.273SS*.G310 helixtrans-56.9-41.6-173.600000112.4K49 Q50A47-K49 VanDerWaalsContact C-N 3.27Å; A47-K49 PolarHBondContact O-N 3.21Å; A47-Q50 WeakPolarHBondContact O-CB 3.41Å; A47-Q50 WeakPolarHBondContact O-CG 3.41Å; A47-Q50 PolarHBondContact O-N 3.26Å
48E93.5Very high95.3Very high148 Ų14856.5 Ų56.569%0.69229%0.292SS*.G310 helixtrans-71.2-19.2178.772.5-72.4170.400113.8S46S46-E48 VanDerWaalsContact C-N 3.28Å; S46-E48 VanDerWaalsContact CB-CD 3.48Å; S46-E48 WeakPolarHBondContact CB-OE1 3.27Å; S46-E48 VanDerWaalsContact CB-OE2 3.28Å; S46-E48 WeakPolarHBondContact CB-OE2 3.49Å; S46-E48 PolarHBondContact O-N 2.87Å; S46-E48 PolarHBondContact OG-OE1 3.24Å; S46-E48 PolarHBondContact OG-OE2 2.83Å
49K94.6Very high95.3Very high126 Ų12659.7 Ų59.755%0.54831%0.311SS..G310 helixtrans-99.95.1178-67.2-175.3-177.8174.30113.4I45 S46 A47 R60I45-K49 HydrophobicContact CG2-CB 4.43Å; S46-K49 CarbonylContact O-C 3.59Å; S46-K49 PolarHBondContact O-N 2.94Å; S46-K49 WeakPolarHBondContact OG-CG 3.47Å; A47-K49 VanDerWaalsContact C-N 3.27Å; A47-K49 PolarHBondContact O-N 3.21Å; K49-R60 PolarHBondContact O-NH1 3.01Å; K49-R60 PolarHBondContact O-NH2 3.39Å
50Q96.8Very high95.4Very high45 Ų4561.4 Ų61.421%0.2132%0.317CS..  trans-59.6145.3176.5-70.4-179.70.300111.6Q39 H40 I45 S46 A47 R60Q39-Q50 HydrophobicContact CG-CG 4.47Å; H40-Q50 PolarHBondContact CE1-OE1 3.28Å; H40-Q50 PolarHBondContact NE2-OE1 2.99Å; H40-Q50 VanDerWaalsContact NE2-OE1 3.1Å; I45-Q50 HydrophobicContact CG2-CG 4.02Å; S46-Q50 PolarHBondContact O-N 3.47Å; A47-Q50 WeakPolarHBondContact O-CB 3.41Å; A47-Q50 WeakPolarHBondContact O-CG 3.41Å; A47-Q50 PolarHBondContact O-N 3.26Å; Q50-R60 PolarHBondContact O-NH1 3.34Å; Q50-R60 VanDerWaalsContact O-NH1 3.12Å
51Y96.9Very high95.4Very high11 Ų1159.2 Ų59.24%0.04331%0.307CS..  trans-72.6131.5175.9-59.6-70.2000110.7L35 Q39 I45 G53 D56 C57 R60 E64 Q65L35-Y51 HydrophobicContact CB-CD2 4.32Å; L35-Y51 HydrophobicContact CB-CE2 4.26Å; L35-Y51 HydrophobicContact CD1-CE2 4.05Å; L35-Y51 HydrophobicContact CD2-CE2 4.26Å; L35-Y51 HydrophobicContact CG-CE2 4.44Å; Q39-Y51 PolarHBondContact NE2-O 3.34Å; I45-Y51 HydrophobicContact CD1-CE2 3.96Å; Y51-G53 VanDerWaalsContact C-N 3.31Å; Y51-G53 PolarHBondContact O-N 3.28Å; Y51-D56 VanDerWaalsContact CA-OD2 3.28Å; Y51-D56 WeakPolarHBondContact CA-OD2 3.48Å; Y51-C57 WeakPolarHBondContact CB-SG 3.11Å; Y51-C57 HydrophobicContact CD1-CB 4.38Å; Y51-C57 VanDerWaalsContact CD2-SG 3.59Å; Y51-C57 HydrophobicContact CG-CB 4.4Å; Y51-R60 HydrophobicContact CD1-CB 4.24Å; Y51-R60 HydrophobicContact CE1-CB 3.73Å; Y51-E64 WeakPolarHBondContact CE1-OE2 3.4Å; Y51-E64 PolarHBondContact OH-OE2 2.98Å; Y51-Q65 PolarHBondContact OH-NE2 3.43Å; Y51-Q65 VanDerWaalsContact OH-NE2 3.08Å
52K95.7Very high95.5Very high197 Ų19761.1 Ų61.186%0.85732%0.32SS*.  trans-77.9-17-176.4-61.2-179.9-179.5179.20113.5D56K52-D56 HydrophobicContact CB-CB 4.13Å; K52-D56 PolarHBondContact N-OD2 3.06Å
53G95.8Very high95.6Very high23 Ų2367.4 Ų67.424%0.23735%0.345CS..SBendtrans167.8-170.2-178.700000112.2Y51 D56 C57Y51-G53 VanDerWaalsContact C-N 3.31Å; Y51-G53 PolarHBondContact O-N 3.28Å; G53-D56 PolarHBondContact O-N 3.18Å; G53-C57 PolarHBondContact O-N 2.9Å
54I96.7Very high95.8Very high40 Ų4066 Ų6621%0.20534%0.34CS..Hα-helixtrans-61-49.6-175.6-62.2179000111.4I29 V32 L36 D56 C57 V58 W275 S276I29-I54 HydrophobicContact CD1-CG2 4.22Å; V32-I54 HydrophobicContact CG1-CB 4.3Å; V32-I54 HydrophobicContact CG1-CG1 4.25Å; V32-I54 HydrophobicContact CG1-CG2 4.08Å; L36-I54 HydrophobicContact CD1-CG1 3.86Å; I54-D56 VanDerWaalsContact C-N 3.33Å; I54-D56 PolarHBondContact O-N 2.91Å; I54-C57 WeakPolarHBondContact O-CB 3.43Å; I54-C57 PolarHBondContact O-N 2.81Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 3.32Å; I54-W275 HydrophobicContact CD1-CB 4.21Å; I54-W275 HydrophobicContact CD1-CG 4.25Å; I54-S276 WeakPolarHBondContact CD1-OG 3.38Å; I54-S276 WeakPolarHBondContact CG1-OG 3.35Å
55I97.6Very high95.9Very high130 Ų13063.4 Ų63.467%0.66733%0.328SS*.Hα-helixtrans-62.5-43.6-178.4-57.6-55.9000110.6C57 V58 V59I55-C57 PolarHBondContact O-N 3.16Å; I55-V58 PolarHBondContact O-N 2.95Å; I55-V59 HydrophobicContact CG2-CG2 4.33Å; I55-V59 WeakPolarHBondContact O-CG2 3.37Å; I55-V59 PolarHBondContact O-N 3.26Å
56D97.8Very high96Very high43 Ų4364.1 Ų64.123%0.2334%0.339CS..Hα-helixtrans-60-45.3176.3-169.856.3000111.5Y51 K52 G53 I54 V59 R60Y51-D56 VanDerWaalsContact CA-OD2 3.28Å; Y51-D56 WeakPolarHBondContact CA-OD2 3.48Å; K52-D56 HydrophobicContact CB-CB 4.13Å; K52-D56 PolarHBondContact N-OD2 3.06Å; G53-D56 PolarHBondContact O-N 3.18Å; I54-D56 VanDerWaalsContact C-N 3.33Å; I54-D56 PolarHBondContact O-N 2.91Å; D56-V59 PolarHBondContact O-N 2.86Å; D56-R60 WeakPolarHBondContact O-CB 3.38Å; D56-R60 VanDerWaalsContact O-CG 3.25Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 3.25Å; D56-R60 WeakPolarHBondContact OD1-CD 3.48Å; D56-R60 WeakPolarHBondContact OD2-CD 3.09Å; D56-R60 IonicContact OD2-CZ 2.8Å; D56-R60 IonicContact OD2-NE 3.77Å; D56-R60 IonicContact OD2-NH1 3.28Å; D56-R60 PolarHBondContact OD2-NH1 3.11Å
57C97.5Very high96.1Very high0 Ų068.5 Ų68.50%035%0.353CS..Hα-helixtrans-57.3-51.6172.1-76.30000112.1V32 L36 Y51 G53 I54 I55 V59 R60 I61V32-C57 HydrophobicContact CB-CB 4.33Å; V32-C57 HydrophobicContact CG1-CB 3.73Å; V32-C57 HydrophobicContact CG2-CB 3.96Å; L36-C57 VanDerWaalsContact CD2-SG 3.58Å; Y51-C57 WeakPolarHBondContact CB-SG 3.11Å; Y51-C57 HydrophobicContact CD1-CB 4.38Å; Y51-C57 VanDerWaalsContact CD2-SG 3.59Å; Y51-C57 HydrophobicContact CG-CB 4.4Å; G53-C57 PolarHBondContact O-N 2.9Å; I54-C57 WeakPolarHBondContact O-CB 3.43Å; I54-C57 PolarHBondContact O-N 2.81Å; I55-C57 PolarHBondContact O-N 3.16Å; C57-V59 VanDerWaalsContact C-N 3.28Å; C57-V59 PolarHBondContact O-N 2.65Å; C57-R60 PolarHBondContact O-N 3.03Å; C57-I61 HydrophobicContact CB-CD1 4.1Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.24Å; C57-I61 VanDerWaalsContact O-CD1 3.31Å; C57-I61 WeakPolarHBondContact O-CD1 3.15Å; C57-I61 WeakPolarHBondContact O-CG1 3.35Å; C57-I61 PolarHBondContact O-N 2.97Å
58V97.7Very high96.3Very high65 Ų6571.7 Ų71.739%0.39436%0.359SS..Hα-helixtrans-61.1-38.2-176.1171.20000111.4V32 I54 I55 P62 F70V32-V58 HydrophobicContact CG2-CG2 3.88Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 WeakPolarHBondContact O-CG2 3.22Å; I54-V58 PolarHBondContact O-N 3.32Å; I55-V58 PolarHBondContact O-N 2.95Å; V58-P62 WeakPolarHBondContact O-CD 3.36Å; V58-P62 WeakPolarHBondContact O-CG 3.39Å; V58-F70 HydrophobicContact CG1-CZ 4.4Å; V58-F70 WeakPolarHBondContact O-CZ 3.46Å
59V98Very high96.4Very high67 Ų6765 Ų6541%0.40633%0.328SS..Hα-helixtrans-74.8-39.2178.3172.70000111.9I55 D56 C57 K63I55-V59 HydrophobicContact CG2-CG2 4.33Å; I55-V59 WeakPolarHBondContact O-CG2 3.37Å; I55-V59 PolarHBondContact O-N 3.26Å; D56-V59 PolarHBondContact O-N 2.86Å; C57-V59 VanDerWaalsContact C-N 3.28Å; C57-V59 PolarHBondContact O-N 2.65Å; V59-K63 HydrophobicContact CG1-CD 4.41Å; V59-K63 WeakPolarHBondContact O-CG 3.29Å
60R97.6Very high96.6Very high44 Ų4459.7 Ų59.717%0.16631%0.305CS..Hα-helixtrans-84.8-36.6-172.1-72.3172.959.1-164.8-4.1113.9K49 Q50 Y51 D56 C57 K63 E64K49-R60 PolarHBondContact O-NH1 3.01Å; K49-R60 PolarHBondContact O-NH2 3.39Å; Q50-R60 PolarHBondContact O-NH1 3.34Å; Q50-R60 VanDerWaalsContact O-NH1 3.12Å; Y51-R60 HydrophobicContact CD1-CB 4.24Å; Y51-R60 HydrophobicContact CE1-CB 3.73Å; D56-R60 WeakPolarHBondContact O-CB 3.38Å; D56-R60 VanDerWaalsContact O-CG 3.25Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 3.25Å; D56-R60 WeakPolarHBondContact OD1-CD 3.48Å; D56-R60 WeakPolarHBondContact OD2-CD 3.09Å; D56-R60 IonicContact OD2-CZ 2.8Å; D56-R60 IonicContact OD2-NE 3.77Å; D56-R60 IonicContact OD2-NH1 3.28Å; D56-R60 PolarHBondContact OD2-NH1 3.11Å; C57-R60 PolarHBondContact O-N 3.03Å; R60-K63 PolarHBondContact O-N 3.18Å; R60-K63 VanDerWaalsContact O-N 3.09Å; R60-E64 HydrophobicContact CB-CG 4.38Å; R60-E64 IonicContact CZ-OE1 3.04Å; R60-E64 IonicContact NE-OE1 3.35Å; R60-E64 PolarHBondContact NE-OE1 3.26Å; R60-E64 IonicContact NH2-OE1 2.61Å; R60-E64 PolarHBondContact NH2-OE1 2.6Å; R60-E64 IonicContact NH2-OE2 3.94Å; R60-E64 VanDerWaalsContact O-CB 3.29Å; R60-E64 WeakPolarHBondContact O-CB 3.45Å; R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.32Å
61I97.4Very high96.6Very high0 Ų061.5 Ų61.50%031%0.31CS..Hα-helixtrans-48.5-54.5178.6-73.6163.8000112.5R31 V32 L35 C57 K63 E64 Q65 S69 F70R31-I61 HydrophobicContact CG-CD1 4.45Å; V32-I61 HydrophobicContact CG2-CD1 3.97Å; L35-I61 HydrophobicContact CD1-CD1 3.61Å; L35-I61 HydrophobicContact CD1-CG1 3.88Å; C57-I61 HydrophobicContact CB-CD1 4.1Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.24Å; C57-I61 VanDerWaalsContact O-CD1 3.31Å; C57-I61 WeakPolarHBondContact O-CD1 3.15Å; C57-I61 WeakPolarHBondContact O-CG1 3.35Å; C57-I61 PolarHBondContact O-N 2.97Å; I61-K63 VanDerWaalsContact C-N 3.35Å; I61-K63 PolarHBondContact O-N 3.34Å; I61-E64 PolarHBondContact O-N 3.03Å; I61-Q65 WeakPolarHBondContact O-CA 3.27Å; I61-Q65 VanDerWaalsContact O-CB 3.31Å; I61-Q65 WeakPolarHBondContact O-CB 3.24Å; I61-Q65 PolarHBondContact O-N 3.21Å; I61-S69 WeakPolarHBondContact CG2-OG 3.1Å; I61-F70 HydrophobicContact CB-CD1 4.49Å; I61-F70 HydrophobicContact CB-CE1 3.92Å; I61-F70 HydrophobicContact CB-CZ 3.98Å; I61-F70 HydrophobicContact CD1-CD1 4.08Å; I61-F70 HydrophobicContact CD1-CE1 3.65Å; I61-F70 HydrophobicContact CD1-CZ 4.48Å; I61-F70 HydrophobicContact CG1-CE1 4.41Å; I61-F70 HydrophobicContact CG2-CD1 3.89Å; I61-F70 HydrophobicContact CG2-CD2 4.29Å; I61-F70 HydrophobicContact CG2-CE1 3.8Å; I61-F70 HydrophobicContact CG2-CE2 4.2Å; I61-F70 HydrophobicContact CG2-CG 4.13Å; I61-F70 HydrophobicContact CG2-CZ 3.96Å
62P96.7Very high96.6Very high40 Ų4062.4 Ų62.426%0.2631%0.314SS..Hα-helixtrans-65.8-36.8-179.424.6-33.2000112.4V58 G66 F70V58-P62 WeakPolarHBondContact O-CD 3.36Å; V58-P62 WeakPolarHBondContact O-CG 3.39Å; P62-G66 WeakPolarHBondContact O-CA 3.45Å; P62-G66 PolarHBondContact O-N 2.74Å; P62-F70 HydrophobicContact CB-CE2 4.39Å; P62-F70 HydrophobicContact CG-CE2 4.18Å; P62-F70 HydrophobicContact CG-CZ 4.43Å
63K95.4Very high96.6Very high147 Ų14753.5 Ų53.564%0.63928%0.278SS*.Hα-helixtrans-67.2-40178.2-66.7-178.6179.7-176.30112.4V59 R60 I61 K147V59-K63 HydrophobicContact CG1-CD 4.41Å; V59-K63 WeakPolarHBondContact O-CG 3.29Å; R60-K63 PolarHBondContact O-N 3.18Å; R60-K63 VanDerWaalsContact O-N 3.09Å; I61-K63 VanDerWaalsContact C-N 3.35Å; I61-K63 PolarHBondContact O-N 3.34Å; K63-K147 WeakPolarHBondContact O-CE 3.47Å; K63-K147 PolarHBondContact O-NZ 3.48Å
64E94.9Very high96.7Very high67 Ų6753.1 Ų53.131%0.31327%0.27SS..Hα-helixtrans-89.9-28.3-174.5-68.2174.3173.100113.4Y51 R60 I61 K147Y51-E64 WeakPolarHBondContact CE1-OE2 3.4Å; Y51-E64 PolarHBondContact OH-OE2 2.98Å; R60-E64 HydrophobicContact CB-CG 4.38Å; R60-E64 IonicContact CZ-OE1 3.04Å; R60-E64 IonicContact NE-OE1 3.35Å; R60-E64 PolarHBondContact NE-OE1 3.26Å; R60-E64 IonicContact NH2-OE1 2.61Å; R60-E64 PolarHBondContact NH2-OE1 2.6Å; R60-E64 IonicContact NH2-OE2 3.94Å; R60-E64 VanDerWaalsContact O-CB 3.29Å; R60-E64 WeakPolarHBondContact O-CB 3.45Å; R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.32Å; I61-E64 PolarHBondContact O-N 3.03Å; E64-K147 WeakPolarHBondContact O-CE 3.46Å; E64-K147 WeakPolarHBondContact O-CG 3.35Å
65Q95.5Very high96.7Very high8 Ų856.7 Ų56.74%0.03729%0.289CS..Hα-helixtrans-134.1-7.2-166.5-55.7174.355.900113.6R31 Y51 I61 S69 V145R31-Q65 VanDerWaalsContact NH2-OE1 3.12Å; Y51-Q65 PolarHBondContact OH-NE2 3.43Å; Y51-Q65 VanDerWaalsContact OH-NE2 3.08Å; I61-Q65 WeakPolarHBondContact O-CA 3.27Å; I61-Q65 VanDerWaalsContact O-CB 3.31Å; I61-Q65 WeakPolarHBondContact O-CB 3.24Å; I61-Q65 PolarHBondContact O-N 3.21Å; Q65-S69 WeakPolarHBondContact CB-OG 3.1Å; Q65-V145 HydrophobicContact CG-CB 4.39Å
66G95.5Very high96.7Very high30 Ų3050.6 Ų50.631%0.30926%0.258SS..  trans86.6153.6-17400000112.8P62 L68 S69P62-G66 WeakPolarHBondContact O-CA 3.45Å; P62-G66 PolarHBondContact O-N 2.74Å; G66-L68 PolarHBondContact O-N 3.43Å; G66-S69 VanDerWaalsContact O-CB 3.24Å; G66-S69 WeakPolarHBondContact O-CB 3.26Å; G66-S69 PolarHBondContact O-N 2.78Å; G66-S69 VanDerWaalsContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.39Å
67F95.4Very high96.5Very high133 Ų13348.8 Ų48.858%0.58325%0.248SC*.G310 helixtrans-59.6-43.3-172.4-177.1-103000113.8S69 F70 W71F67-S69 PolarHBondContact O-N 2.92Å; F67-F70 HydrophobicContact CD2-CD2 4.39Å; F67-F70 HydrophobicContact CD2-CE2 4.39Å; F67-F70 HydrophobicContact CE2-CD2 4.5Å; F67-F70 VanDerWaalsContact O-CD2 3.27Å; F67-F70 WeakPolarHBondContact O-CD2 3.09Å; F67-F70 PolarHBondContact O-N 3.3Å; F67-W71 HydrophobicContact CE1-CH2 4.35Å; F67-W71 HydrophobicContact CE1-CZ3 4.04Å; F67-W71 HydrophobicContact CZ-CH2 4.47Å; F67-W71 HydrophobicContact CZ-CZ3 4.4Å
68L95.6Very high96.5Very high142 Ų14249.9 Ų49.974%0.74326%0.255SS*.G310 helixtrans-65.9-11.4-179.5-62.6179.1000113.8G66 F70 W71G66-L68 PolarHBondContact O-N 3.43Å; L68-F70 PolarHBondContact O-N 2.79Å; L68-W71 PolarHBondContact O-N 3.36Å
69S95.8Very high96.4Very high6 Ų650 Ų504%0.04225%0.253CS..G310 helixtrans-64.9-19177.969.20000113.5I61 Q65 G66 F67 W71 R72I61-S69 WeakPolarHBondContact CG2-OG 3.1Å; Q65-S69 WeakPolarHBondContact CB-OG 3.1Å; G66-S69 VanDerWaalsContact O-CB 3.24Å; G66-S69 WeakPolarHBondContact O-CB 3.26Å; G66-S69 PolarHBondContact O-N 2.78Å; G66-S69 VanDerWaalsContact O-N 3.12Å; G66-S69 PolarHBondContact O-OG 3.39Å; F67-S69 PolarHBondContact O-N 2.92Å; S69-W71 PolarHBondContact O-N 3.34Å; S69-W71 VanDerWaalsContact O-N 3.17Å; S69-R72 WeakPolarHBondContact O-CB 3.2Å; S69-R72 PolarHBondContact O-N 3.18Å
70F97.5Very high96.2Very high16 Ų1648.8 Ų48.87%0.0724%0.241CC..G310 helixtrans-56.7-28172.2-80.9-63000113.7P28 R31 V32 V58 I61 P62 F67 L68P28-F70 HydrophobicContact CB-CB 3.94Å; P28-F70 HydrophobicContact CB-CD1 3.85Å; P28-F70 HydrophobicContact CB-CG 4.02Å; P28-F70 HydrophobicContact CG-CB 4.07Å; R31-F70 VanDerWaalsContact CB-O 3.26Å; R31-F70 WeakPolarHBondContact CB-O 3.32Å; V32-F70 HydrophobicContact CG2-CE1 4.42Å; V58-F70 HydrophobicContact CG1-CZ 4.4Å; V58-F70 WeakPolarHBondContact O-CZ 3.46Å; I61-F70 HydrophobicContact CB-CD1 4.49Å; I61-F70 HydrophobicContact CB-CE1 3.92Å; I61-F70 HydrophobicContact CB-CZ 3.98Å; I61-F70 HydrophobicContact CD1-CD1 4.08Å; I61-F70 HydrophobicContact CD1-CE1 3.65Å; I61-F70 HydrophobicContact CD1-CZ 4.48Å; I61-F70 HydrophobicContact CG1-CE1 4.41Å; I61-F70 HydrophobicContact CG2-CD1 3.89Å; I61-F70 HydrophobicContact CG2-CD2 4.29Å; I61-F70 HydrophobicContact CG2-CE1 3.8Å; I61-F70 HydrophobicContact CG2-CE2 4.2Å; I61-F70 HydrophobicContact CG2-CG 4.13Å; I61-F70 HydrophobicContact CG2-CZ 3.96Å; P62-F70 HydrophobicContact CB-CE2 4.39Å; P62-F70 HydrophobicContact CG-CE2 4.18Å; P62-F70 HydrophobicContact CG-CZ 4.43Å; F67-F70 HydrophobicContact CD2-CD2 4.39Å; F67-F70 HydrophobicContact CD2-CE2 4.39Å; F67-F70 HydrophobicContact CE2-CD2 4.5Å; F67-F70 VanDerWaalsContact O-CD2 3.27Å; F67-F70 WeakPolarHBondContact O-CD2 3.09Å; F67-F70 PolarHBondContact O-N 3.3Å; L68-F70 PolarHBondContact O-N 2.79Å
71W97.8Very high96Very high82 Ų8249.2 Ų49.231%0.31124%0.243SC..G310 helixtrans-96.36.3178.9-72.8-93000113.6T24 A27 P28 F67 L68 S69 G73 N74T24-W71 PolarHBondContact O-NE1 3.04Å; A27-W71 VanDerWaalsContact CB-CD1 3.42Å; A27-W71 HydrophobicContact CB-CG 4.17Å; P28-W71 HydrophobicContact CG-CD2 4.48Å; P28-W71 HydrophobicContact CG-CH2 3.9Å; P28-W71 HydrophobicContact CG-CZ2 3.59Å; P28-W71 HydrophobicContact CG-CZ3 4.45Å; F67-W71 HydrophobicContact CE1-CH2 4.35Å; F67-W71 HydrophobicContact CE1-CZ3 4.04Å; F67-W71 HydrophobicContact CZ-CH2 4.47Å; F67-W71 HydrophobicContact CZ-CZ3 4.4Å; L68-W71 PolarHBondContact O-N 3.36Å; S69-W71 PolarHBondContact O-N 3.34Å; S69-W71 VanDerWaalsContact O-N 3.17Å; W71-G73 PolarHBondContact O-N 3.12Å; W71-G73 VanDerWaalsContact O-N 3.16Å; W71-N74 HydrophobicContact CB-CB 4.34Å; W71-N74 WeakPolarHBondContact O-CB 3.19Å; W71-N74 PolarHBondContact O-N 2.79Å
72R96.9Very high95.7Very high31 Ų3152.5 Ų52.512%0.11726%0.257CS..THydrogen-bonded Turntrans-65.6119.1-177.6-173.6174.8178.168.84.7110.9S69 L141 D144 R152 F154S69-R72 WeakPolarHBondContact O-CB 3.2Å; S69-R72 PolarHBondContact O-N 3.18Å; R72-L141 WeakPolarHBondContact CG-O 3.33Å; R72-L141 PolarHBondContact NE-O 3.07Å; R72-D144 WeakPolarHBondContact CD-O 3.31Å; R72-D144 IonicContact CZ-OD2 3.21Å; R72-D144 PolarHBondContact NE-O 2.59Å; R72-D144 IonicContact NE-OD2 3.65Å; R72-D144 IonicContact NH2-OD2 3.02Å; R72-D144 PolarHBondContact NH2-OD2 3.02Å; R72-R152 VanDerWaalsContact NH1-NH1 3.14Å; R72-F154 PolarHBondContact NH2-O 3.44Å
73G96.2Very high95.5Very high10 Ų1052.6 Ų52.610%0.10326%0.258CS..THydrogen-bonded Turntrans94.1-7.4-173.200000114.3W71 L75 A76 N77W71-G73 PolarHBondContact O-N 3.12Å; W71-G73 VanDerWaalsContact O-N 3.16Å; G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 3.2Å; G73-A76 PolarHBondContact O-N 2.7Å; G73-N77 PolarHBondContact O-N 2.79Å
74N97.1Very high95.3Very high15 Ų1547.3 Ų47.38%0.0824%0.238CC..Hα-helixtrans-65.4-34.1-179.9-172.850.1000112.7K23 T24 A27 W71 A76 N77 V78K23-N74 PolarHBondContact O-OD1 3.17Å; T24-N74 PolarHBondContact OG1-ND2 3.28Å; A27-N74 HydrophobicContact CB-CB 3.96Å; W71-N74 HydrophobicContact CB-CB 4.34Å; W71-N74 WeakPolarHBondContact O-CB 3.19Å; W71-N74 PolarHBondContact O-N 2.79Å; N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.4Å; N74-N77 CarbonylContact O-C 3.32Å; N74-N77 WeakPolarHBondContact O-CA 3.23Å; N74-N77 VanDerWaalsContact O-CB 3.24Å; N74-N77 WeakPolarHBondContact O-CB 3.47Å; N74-N77 PolarHBondContact O-N 3.09Å; N74-V78 WeakPolarHBondContact O-CG2 3.43Å; N74-V78 PolarHBondContact O-N 3.42Å
75L96.5Very high95.1Very high115 Ų11546.1 Ų46.160%0.60223%0.232SC*.Hα-helixtrans-55.4-45.4175.7179.661.9000111.8G73 N77 V78 I79G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 3.2Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.21Å; L75-V78 PolarHBondContact O-N 3.02Å; L75-I79 HydrophobicContact CD1-CD1 3.92Å; L75-I79 HydrophobicContact CD1-CG1 4.14Å; L75-I79 HydrophobicContact CD2-CD1 4.49Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 HydrophobicContact CG-CG1 4.45Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 3.08Å
76A97Very high94.8Very high1 Ų148.1 Ų48.11%0.00825%0.25CC..Hα-helixtrans-61.6-37.3175.500000111.6G73 N74 R80 R138 L157G73-A76 PolarHBondContact O-N 2.7Å; N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.4Å; A76-R80 WeakPolarHBondContact O-CB 3.38Å; A76-R80 PolarHBondContact O-N 3.31Å; A76-R138 HydrophobicContact CB-CB 3.94Å; A76-L157 HydrophobicContact CB-CD1 3.91Å; A76-L157 HydrophobicContact CB-CD2 4.22Å
77N94.7Very high94.6Very high5 Ų547.8 Ų47.83%0.02724%0.241CC..Hα-helixtrans-66.9-37.6176.1-173.835.5000113.5K23 G73 N74 L75 R80 R138K23-N77 WeakPolarHBondContact CD-O 3.16Å; K23-N77 WeakPolarHBondContact CE-O 3.25Å; K23-N77 PolarHBondContact NZ-O 2.75Å; K23-N77 PolarHBondContact NZ-OD1 3.4Å; G73-N77 PolarHBondContact O-N 2.79Å; N74-N77 CarbonylContact O-C 3.32Å; N74-N77 WeakPolarHBondContact O-CA 3.23Å; N74-N77 VanDerWaalsContact O-CB 3.24Å; N74-N77 WeakPolarHBondContact O-CB 3.47Å; N74-N77 PolarHBondContact O-N 3.09Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.21Å; N77-R80 PolarHBondContact OD1-NH2 3.33Å; N77-R80 VanDerWaalsContact OD1-NH2 3.12Å; N77-R138 HydrophobicContact CB-CG 4.22Å; N77-R138 PolarHBondContact ND2-NH2 2.89Å; N77-R138 VanDerWaalsContact ND2-NH2 3.1Å; N77-R138 PolarHBondContact OD1-NH1 2.87Å; N77-R138 VanDerWaalsContact OD1-NH1 3.17Å; N77-R138 PolarHBondContact OD1-NH2 2.94Å
78V96.3Very high94.2Very high23 Ų2344.9 Ų44.914%0.13923%0.232CC..Hα-helixtrans-70.7-52.8176.9173.30000109.9A20 K23 N74 L75 R80 Y81 F82A20-V78 HydrophobicContact CB-CG1 3.76Å; K23-V78 HydrophobicContact CB-CG2 4.19Å; K23-V78 HydrophobicContact CD-CG2 4.41Å; N74-V78 WeakPolarHBondContact O-CG2 3.43Å; N74-V78 PolarHBondContact O-N 3.42Å; L75-V78 PolarHBondContact O-N 3.02Å; V78-R80 PolarHBondContact O-N 2.89Å; V78-Y81 WeakPolarHBondContact O-CB 3.45Å; V78-Y81 PolarHBondContact O-N 3.01Å; V78-F82 HydrophobicContact CG1-CE2 4.4Å
79I96Very high93.8Very high69 Ų6944.1 Ų44.135%0.35422%0.223SC..Hα-helixtrans-55.2-43.6178.1-68.5171.7000110.5L75 Y81 F82 P83 L134 L157L75-I79 HydrophobicContact CD1-CD1 3.92Å; L75-I79 HydrophobicContact CD1-CG1 4.14Å; L75-I79 HydrophobicContact CD2-CD1 4.49Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 HydrophobicContact CG-CG1 4.45Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 3.08Å; I79-Y81 PolarHBondContact O-N 2.77Å; I79-Y81 VanDerWaalsContact O-N 3.08Å; I79-F82 PolarHBondContact O-N 3.34Å; I79-P83 WeakPolarHBondContact O-CD 3.46Å; I79-L134 HydrophobicContact CG2-CD1 3.99Å; I79-L134 HydrophobicContact CG2-CD2 4.21Å; I79-L157 HydrophobicContact CD1-CD2 3.83Å
80R94.9Very high93.4Very high41 Ų4146.3 Ų46.316%0.15524%0.241CC..THydrogen-bonded Turntrans-56.7-25.8179.3-171.4-178.762.679.1-0.9113.7A76 N77 V78 P83 T84 V131 L134A76-R80 WeakPolarHBondContact O-CB 3.38Å; A76-R80 PolarHBondContact O-N 3.31Å; N77-R80 PolarHBondContact OD1-NH2 3.33Å; N77-R80 VanDerWaalsContact OD1-NH2 3.12Å; V78-R80 PolarHBondContact O-N 2.89Å; R80-P83 WeakPolarHBondContact O-CD 3.18Å; R80-T84 WeakPolarHBondContact O-CB 3.38Å; R80-T84 PolarHBondContact O-N 3.25Å; R80-T84 PolarHBondContact O-OG1 2.98Å; R80-V131 HydrophobicContact CG-CB 4.12Å; R80-V131 HydrophobicContact CG-CG2 4.32Å; R80-L134 HydrophobicContact CB-CB 3.99Å; R80-L134 HydrophobicContact CB-CD1 4.08Å; R80-L134 HydrophobicContact CG-CB 4.11Å; R80-L134 HydrophobicContact CG-CD1 4.45Å
81Y92Very high92.9Very high53 Ų5348.6 Ų48.621%0.20825%0.251CS..Hα-helixtrans-59.5-49.5178.6-178-99.1000112.1G15 A19 V78 I79 T84 Q85G15-Y81 PolarHBondContact O-OH 2.87Å; A19-Y81 HydrophobicContact CB-CD1 3.71Å; A19-Y81 HydrophobicContact CB-CD2 3.5Å; A19-Y81 VanDerWaalsContact CB-CD2 3.5Å; A19-Y81 HydrophobicContact CB-CE1 3.56Å; A19-Y81 HydrophobicContact CB-CE2 3.31Å; A19-Y81 HydrophobicContact CB-CG 3.68Å; V78-Y81 WeakPolarHBondContact O-CB 3.45Å; V78-Y81 PolarHBondContact O-N 3.01Å; I79-Y81 PolarHBondContact O-N 2.77Å; I79-Y81 VanDerWaalsContact O-N 3.08Å; Y81-T84 WeakPolarHBondContact O-CB 2.95Å; Y81-T84 PolarHBondContact O-N 3.08Å; Y81-Q85 HydrophobicContact CD1-CG 3.93Å; Y81-Q85 HydrophobicContact CD2-CG 4.23Å; Y81-Q85 HydrophobicContact CE1-CG 3.46Å; Y81-Q85 VanDerWaalsContact CE1-CG 3.46Å; Y81-Q85 HydrophobicContact CE2-CG 3.82Å; Y81-Q85 HydrophobicContact CG-CG 4.29Å; Y81-Q85 VanDerWaalsContact CZ-CG 3.41Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.34Å; Y81-Q85 WeakPolarHBondContact O-CG 3.42Å; Y81-Q85 PolarHBondContact O-N 3.24Å; Y81-Q85 PolarHBondContact OH-NE2 3.12Å
82F91.8Very high92.2Very high69 Ų6949.5 Ų49.530%0.30326%0.257SS..Hα-helixtrans-58.6-54-174.4-63.9-88.3000113.8F12 V78 I79 T84 Q85 A86F12-F82 AromaticContact CE1-CD1 3.73Å; F12-F82 HydrophobicContact CE1-CD1 3.73Å; F12-F82 HydrophobicContact CE1-CE1 4.39Å; F12-F82 HydrophobicContact CZ-CB 4.27Å; F12-F82 AromaticContact CZ-CD1 3.79Å; F12-F82 HydrophobicContact CZ-CD1 3.79Å; V78-F82 HydrophobicContact CG1-CE2 4.4Å; I79-F82 PolarHBondContact O-N 3.34Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.91Å; F82-Q85 PolarHBondContact O-N 2.99Å; F82-A86 PolarHBondContact O-N 3.38Å
83P92.6Very high91.7Very high42 Ų4253.2 Ų53.227%0.27328%0.279SS..Hα-helixtrans-67.6-32.1176.428.8-34.2000111.6I79 R80 Q85 A86 L87 V131 L134I79-P83 WeakPolarHBondContact O-CD 3.46Å; R80-P83 WeakPolarHBondContact O-CD 3.18Å; P83-Q85 VanDerWaalsContact C-N 3.32Å; P83-Q85 PolarHBondContact O-N 3.01Å; P83-A86 PolarHBondContact O-N 3.32Å; P83-L87 WeakPolarHBondContact O-CB 3.15Å; P83-L87 VanDerWaalsContact O-CD1 3.3Å; P83-L87 WeakPolarHBondContact O-CD1 3.37Å; P83-L87 WeakPolarHBondContact O-CG 3.27Å; P83-L87 PolarHBondContact O-N 2.88Å; P83-V131 HydrophobicContact CB-CG1 3.85Å; P83-V131 HydrophobicContact CG-CG1 3.84Å; P83-L134 HydrophobicContact CG-CD1 4.16Å
84T92.2Very high91.4Very high35 Ų3558.8 Ų58.822%0.21530%0.301CS..Hα-helixtrans-60.5-44173.5-55.90000110.9R80 Y81 F82 N88R80-T84 WeakPolarHBondContact O-CB 3.38Å; R80-T84 PolarHBondContact O-N 3.25Å; R80-T84 PolarHBondContact O-OG1 2.98Å; Y81-T84 WeakPolarHBondContact O-CB 2.95Å; Y81-T84 PolarHBondContact O-N 3.08Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.91Å; T84-N88 WeakPolarHBondContact O-CB 3.14Å; T84-N88 PolarHBondContact O-N 3.44Å
85Q89.6Confident91.2Very high43 Ų4360 Ų6020%0.20131%0.305CS..Hα-helixtrans-68.7-44.8177.4-70-56.4-13.500112.2F12 Y81 F82 P83 L87 N88 F89F12-Q85 HydrophobicContact CE2-CB 4.14Å; Y81-Q85 HydrophobicContact CD1-CG 3.93Å; Y81-Q85 HydrophobicContact CD2-CG 4.23Å; Y81-Q85 HydrophobicContact CE1-CG 3.46Å; Y81-Q85 VanDerWaalsContact CE1-CG 3.46Å; Y81-Q85 HydrophobicContact CE2-CG 3.82Å; Y81-Q85 HydrophobicContact CG-CG 4.29Å; Y81-Q85 VanDerWaalsContact CZ-CG 3.41Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.34Å; Y81-Q85 WeakPolarHBondContact O-CG 3.42Å; Y81-Q85 PolarHBondContact O-N 3.24Å; Y81-Q85 PolarHBondContact OH-NE2 3.12Å; F82-Q85 PolarHBondContact O-N 2.99Å; P83-Q85 VanDerWaalsContact C-N 3.32Å; P83-Q85 PolarHBondContact O-N 3.01Å; Q85-L87 VanDerWaalsContact C-N 3.27Å; Q85-L87 PolarHBondContact O-N 3.45Å; Q85-N88 WeakPolarHBondContact O-CB 3.4Å; Q85-N88 PolarHBondContact O-N 3.35Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; Q85-F89 HydrophobicContact CB-CE2 4.48Å; Q85-F89 WeakPolarHBondContact O-CD2 3.09Å; Q85-F89 PolarHBondContact O-N 3.33Å
86A89.6Confident90.8Very high49 Ų4959.1 Ų59.141%0.40530%0.296SS..Hα-helixtrans-56.3-43.3176.500000111.7F82 P83 F89 A90F82-A86 PolarHBondContact O-N 3.38Å; P83-A86 PolarHBondContact O-N 3.32Å; A86-F89 PolarHBondContact O-N 3.1Å; A86-A90 WeakPolarHBondContact O-CB 3.39Å; A86-A90 PolarHBondContact O-N 3.02Å
87L91.3Very high90.5Very high24 Ų2466 Ų6613%0.12633%0.328CS..Hα-helixtrans-68.8-37.1177.1-66.6164.3000112.3P83 Q85 A90 F91 F130 V131P83-L87 WeakPolarHBondContact O-CB 3.15Å; P83-L87 VanDerWaalsContact O-CD1 3.3Å; P83-L87 WeakPolarHBondContact O-CD1 3.37Å; P83-L87 WeakPolarHBondContact O-CG 3.27Å; P83-L87 PolarHBondContact O-N 2.88Å; Q85-L87 VanDerWaalsContact C-N 3.27Å; Q85-L87 PolarHBondContact O-N 3.45Å; L87-A90 PolarHBondContact O-N 3.36Å; L87-F91 HydrophobicContact CB-CD2 4.4Å; L87-F91 HydrophobicContact CD2-CD2 4.01Å; L87-F91 HydrophobicContact CD2-CE2 3.63Å; L87-F91 WeakPolarHBondContact O-CB 3.02Å; L87-F91 WeakPolarHBondContact O-CD2 3.47Å; L87-F91 PolarHBondContact O-N 3.48Å; L87-F130 HydrophobicContact CD1-CB 3.73Å; L87-F130 HydrophobicContact CD1-CD2 3.92Å; L87-F130 HydrophobicContact CD1-CG 4.13Å; L87-F130 HydrophobicContact CD2-CD2 3.69Å; L87-F130 HydrophobicContact CD2-CE2 4.05Å; L87-F130 HydrophobicContact CD2-CG 4.27Å; L87-F130 HydrophobicContact CG-CD2 4.49Å; L87-V131 HydrophobicContact CD1-CG1 3.82Å
88N87.6Confident90.5Very high72 Ų7271.4 Ų71.439%0.38536%0.355SS..Hα-helixtrans-60.6-49.2173.4-172.317.6000110.4T84 Q85 A90 F91 K92T84-N88 WeakPolarHBondContact O-CB 3.14Å; T84-N88 PolarHBondContact O-N 3.44Å; Q85-N88 WeakPolarHBondContact O-CB 3.4Å; Q85-N88 PolarHBondContact O-N 3.35Å; Q85-N88 VanDerWaalsContact O-N 3.11Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 2.91Å; N88-F91 PolarHBondContact O-N 3.37Å; N88-K92 WeakPolarHBondContact O-CB 3.49Å; N88-K92 PolarHBondContact O-N 3.01Å
89F85.4Confident90.3Very high126 Ų12674 Ų7455%0.55337%0.365SS*.Hα-helixtrans-60.2-41.6174.7-77.1-68000112.6Q85 A86Q85-F89 HydrophobicContact CB-CE2 4.48Å; Q85-F89 WeakPolarHBondContact O-CD2 3.09Å; Q85-F89 PolarHBondContact O-N 3.33Å; A86-F89 PolarHBondContact O-N 3.1Å
90A87.9Confident90Very high51 Ų5172 Ų7242%0.42136%0.355SS..Hα-helixtrans-70.1-34.8-177.100000114.1A86 L87 N88A86-A90 WeakPolarHBondContact O-CB 3.39Å; A86-A90 PolarHBondContact O-N 3.02Å; L87-A90 PolarHBondContact O-N 3.36Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 2.91Å
91F88.6Confident89.8Confident64 Ų6472.3 Ų72.328%0.28137%0.37SS..Hα-helixtrans-121.9-15-165.3-64.9-70.7000115.9L87 N88 D93 K94 Y95 T126L87-F91 HydrophobicContact CB-CD2 4.4Å; L87-F91 HydrophobicContact CD2-CD2 4.01Å; L87-F91 HydrophobicContact CD2-CE2 3.63Å; L87-F91 WeakPolarHBondContact O-CB 3.02Å; L87-F91 WeakPolarHBondContact O-CD2 3.47Å; L87-F91 PolarHBondContact O-N 3.48Å; N88-F91 PolarHBondContact O-N 3.37Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.23Å; F91-K94 HydrophobicContact CD1-CD 4.24Å; F91-K94 PolarHBondContact O-N 3.42Å; F91-Y95 HydrophobicContact CB-CD2 3.8Å; F91-Y95 HydrophobicContact CB-CE2 3.63Å; F91-Y95 HydrophobicContact CD1-CE2 4.31Å; F91-Y95 HydrophobicContact CG-CE2 4.15Å; F91-Y95 VanDerWaalsContact O-CD2 3.31Å; F91-Y95 WeakPolarHBondContact O-CD2 3.48Å; F91-Y95 PolarHBondContact O-N 2.64Å; F91-T126 HydrophobicContact CD2-CG2 4.35Å; F91-T126 HydrophobicContact CE2-CG2 4.32Å
92K82Confident89.6Confident101 Ų10173.6 Ų73.644%0.43940%0.4SS..Hα-helixtrans-55-47.3-174.5178.8-173.8-174.8-174.30112.6N88 K96N88-K92 WeakPolarHBondContact O-CB 3.49Å; N88-K92 PolarHBondContact O-N 3.01Å; K92-K96 WeakPolarHBondContact O-CG 3.41Å; K92-K96 PolarHBondContact O-N 3.23Å
93D85.7Confident89.5Confident110 Ų11071.3 Ų71.359%0.58839%0.391SS*.Hα-helixtrans-77.5-34.6-176.3-61.3-33.8000111.9F91 Y95 K96 Q97F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.23Å; D93-Y95 PolarHBondContact O-N 3.19Å; D93-K96 PolarHBondContact O-N 3.49Å; D93-Q97 WeakPolarHBondContact O-CB 3.3Å; D93-Q97 PolarHBondContact O-N 3.36Å
94K91.7Very high89.2Confident127 Ų12772.2 Ų72.255%0.55239%0.394SS*.Hα-helixtrans-58.1-50.2173.7-69.6-179.9-177.9-77.20111.6F91 K96 Q97 I98F91-K94 HydrophobicContact CD1-CD 4.24Å; F91-K94 PolarHBondContact O-N 3.42Å; K94-K96 PolarHBondContact O-N 2.8Å; K94-Q97 PolarHBondContact O-N 3.21Å; K94-I98 VanDerWaalsContact O-CG1 3.27Å; K94-I98 WeakPolarHBondContact O-CG1 3.32Å; K94-I98 PolarHBondContact O-N 2.73Å
95Y91.5Very high88.8Confident41 Ų4175.5 Ų75.516%0.16140%0.402CS..Hα-helixtrans-68.4-34.5179.2-74.1-57.3000112.9F91 D93 F99 S119 A122 A123 T126F91-Y95 HydrophobicContact CB-CD2 3.8Å; F91-Y95 HydrophobicContact CB-CE2 3.63Å; F91-Y95 HydrophobicContact CD1-CE2 4.31Å; F91-Y95 HydrophobicContact CG-CE2 4.15Å; F91-Y95 VanDerWaalsContact O-CD2 3.31Å; F91-Y95 WeakPolarHBondContact O-CD2 3.48Å; F91-Y95 PolarHBondContact O-N 2.64Å; D93-Y95 PolarHBondContact O-N 3.19Å; Y95-F99 HydrophobicContact CD1-CD2 4.41Å; Y95-F99 AromaticContact CD1-CE2 3.91Å; Y95-F99 HydrophobicContact CD1-CE2 3.91Å; Y95-F99 VanDerWaalsContact O-CD2 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 3.42Å; Y95-F99 PolarHBondContact O-N 3.04Å; Y95-S119 VanDerWaalsContact C-OG 3.23Å; Y95-S119 PolarHBondContact O-OG 2.88Å; Y95-A122 HydrophobicContact CD1-CB 3.76Å; Y95-A122 HydrophobicContact CE1-CB 3.73Å; Y95-A122 HydrophobicContact CG-CB 4.38Å; Y95-A123 HydrophobicContact CD2-CB 3.62Å; Y95-A123 HydrophobicContact CE2-CB 4.18Å; Y95-A123 HydrophobicContact CG-CB 4.3Å; Y95-T126 PolarHBondContact OH-OG1 3.45Å
96K88.2Confident88.4Confident95 Ų9581.7 Ų81.741%0.41343%0.431SS..Hα-helixtrans-63.2-46.3172.7-77.7179.9174-171.30110.9K92 D93 K94 I98 F99 L100 S119K92-K96 WeakPolarHBondContact O-CG 3.41Å; K92-K96 PolarHBondContact O-N 3.23Å; D93-K96 PolarHBondContact O-N 3.49Å; K94-K96 PolarHBondContact O-N 2.8Å; K96-I98 PolarHBondContact O-N 2.82Å; K96-F99 PolarHBondContact O-N 2.61Å; K96-L100 WeakPolarHBondContact O-CA 3.27Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.43Å; K96-S119 PolarHBondContact N-OG 3.42Å
97Q91.8Very high88.3Confident147 Ų14787.8 Ų87.869%0.68745%0.448SS*.Hα-helixtrans-61.1-45.1178.9-172.8179.76.500112.1D93 K94 F99 G101D93-Q97 WeakPolarHBondContact O-CB 3.3Å; D93-Q97 PolarHBondContact O-N 3.36Å; K94-Q97 PolarHBondContact O-N 3.21Å; Q97-F99 PolarHBondContact O-N 3.36Å; Q97-G101 VanDerWaalsContact O-CA 3.27Å; Q97-G101 WeakPolarHBondContact O-CA 3.11Å; Q97-G101 PolarHBondContact O-N 3.02Å
98I93.1Very high88.1Confident118 Ų11890.1 Ų90.161%0.60546%0.459SS*.Hα-helixtrans-60.9-46179.9-70.3164.6000111.9K94 K96K94-I98 VanDerWaalsContact O-CG1 3.27Å; K94-I98 WeakPolarHBondContact O-CG1 3.32Å; K94-I98 PolarHBondContact O-N 2.73Å; K96-I98 PolarHBondContact O-N 2.82Å
99F91.9Very high88.1Confident77 Ų7791 Ų9134%0.33846%0.459SS..Hα-helixtrans-97.6-18.2-171.2-68.5-70.5000114.7Y95 K96 Q97 G115 A118 S119 A122Y95-F99 HydrophobicContact CD1-CD2 4.41Å; Y95-F99 AromaticContact CD1-CE2 3.91Å; Y95-F99 HydrophobicContact CD1-CE2 3.91Å; Y95-F99 VanDerWaalsContact O-CD2 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 3.42Å; Y95-F99 PolarHBondContact O-N 3.04Å; K96-F99 PolarHBondContact O-N 2.61Å; Q97-F99 PolarHBondContact O-N 3.36Å; F99-G115 WeakPolarHBondContact CB-O 3.35Å; F99-A118 HydrophobicContact CD1-CB 3.57Å; F99-A118 HydrophobicContact CD2-CB 4.45Å; F99-A118 HydrophobicContact CE1-CB 3.76Å; F99-A118 HydrophobicContact CG-CB 3.95Å; F99-A118 HydrophobicContact CZ-CB 4.28Å; F99-S119 VanDerWaalsContact CD2-CA 3.48Å; F99-A122 HydrophobicContact CE2-CB 3.72Å; F99-A122 HydrophobicContact CZ-CB 4.2Å
100L91.1Very high88.3Confident28 Ų2894.1 Ų94.115%0.14747%0.467CS..Hα-helixtrans-123.81.5-176.8-61167.8000113.2K96 G102 V103 Y112K96-L100 WeakPolarHBondContact O-CA 3.27Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.43Å; L100-G102 PolarHBondContact O-N 2.83Å; L100-G102 VanDerWaalsContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-Y112 HydrophobicContact CD2-CD2 3.96Å; L100-Y112 HydrophobicContact CD2-CE2 4.35Å
101G89.2Confident88.5Confident46 Ų4698.7 Ų98.747%0.47447%0.474SS..THydrogen-bonded Turntrans-54.9119174.100000111.1Q97 V103Q97-G101 VanDerWaalsContact O-CA 3.27Å; Q97-G101 WeakPolarHBondContact O-CA 3.11Å; Q97-G101 PolarHBondContact O-N 3.02Å; G101-V103 VanDerWaalsContact C-N 3.26Å; G101-V103 PolarHBondContact O-N 3.09Å
102G89.5Confident88.6Confident80 Ų8098 Ų9883%0.82547%0.47SS*.THydrogen-bonded Turntrans72.79.5-179.400000115.6L100L100-G102 PolarHBondContact O-N 2.83Å; L100-G102 VanDerWaalsContact O-N 3.14Å
103V88.2Confident89Confident21 Ų2195.1 Ų95.113%0.12746%0.457CS..  trans-90.4116.1178.1-176.20000110.4L100 G101 Q108 R111 Y112L100-V103 PolarHBondContact O-N 3.37Å; G101-V103 VanDerWaalsContact C-N 3.26Å; G101-V103 PolarHBondContact O-N 3.09Å; V103-Q108 HydrophobicContact CG1-CB 4.47Å; V103-R111 HydrophobicContact CG1-CB 4.14Å; V103-R111 HydrophobicContact CG1-CG 3.97Å; V103-R111 HydrophobicContact CG2-CG 4.12Å; V103-Y112 HydrophobicContact CG1-CD2 4.46Å
104D86.1Confident89.3Confident62 Ų6292.4 Ų92.433%0.33245%0.45SS..  trans-85.7119.7175.6-175.2-26.3000110.6H106 K107 Q108D104-H106 VanDerWaalsContact C-N 3.29Å; D104-H106 PolarHBondContact O-N 3.34Å; D104-H106 IonicContact OD1-CD2 3.95Å; D104-H106 PolarHBondContact OD1-N 3.11Å; D104-K107 HydrophobicContact CB-CB 4.21Å; D104-K107 PolarHBondContact OD1-N 3.45Å; D104-K107 WeakPolarHBondContact OD2-CD 3.05Å; D104-Q108 WeakPolarHBondContact O-CA 3.34Å; D104-Q108 WeakPolarHBondContact O-CB 3.26Å; D104-Q108 PolarHBondContact O-N 3.07Å
105R84.1Confident89.4Confident104 Ų10486.8 Ų86.839%0.39243%0.428SS..THydrogen-bonded Turntrans-60.1-35.9179.2-178.8178.2-176.5-179.84.1112.9Y112 D196R105-Y112 HydrophobicContact CB-CD1 4.2Å; R105-Y112 HydrophobicContact CB-CD2 3.86Å; R105-Y112 HydrophobicContact CB-CE1 4.36Å; R105-Y112 HydrophobicContact CB-CE2 4.05Å; R105-Y112 HydrophobicContact CB-CG 3.94Å; R105-Y112 HydrophobicContact CG-CD1 3.73Å; R105-Y112 HydrophobicContact CG-CD2 4.31Å; R105-Y112 HydrophobicContact CG-CE1 3.8Å; R105-Y112 HydrophobicContact CG-CE2 4.38Å; R105-Y112 HydrophobicContact CG-CG 3.99Å; R105-D196 IonicContact NH2-OD1 3.44Å; R105-D196 PolarHBondContact NH2-OD1 3.46Å; R105-D196 VanDerWaalsContact NH2-OD1 3.11Å; R105-D196 IonicContact NH2-OD2 2.61Å; R105-D196 PolarHBondContact NH2-OD2 2.94Å
106H82.7Confident89.4Confident172 Ų17285.9 Ų85.980%0.79643%0.426SS*.THydrogen-bonded Turntrans-82.1-32.8-173.6-64.3-74.9000112.3D104D104-H106 VanDerWaalsContact C-N 3.29Å; D104-H106 PolarHBondContact O-N 3.34Å; D104-H106 IonicContact OD1-CD2 3.95Å; D104-H106 PolarHBondContact OD1-N 3.11Å
107K87.2Confident89.6Confident178 Ų17882.8 Ų82.877%0.77441%0.414SS*.THydrogen-bonded Turntrans-91.4-28.7179.2-62.7-179.4-176.9177.20113.4D104D104-K107 HydrophobicContact CB-CB 4.21Å; D104-K107 PolarHBondContact OD1-N 3.45Å; D104-K107 WeakPolarHBondContact OD2-CD 3.05Å
108Q87.6Confident89.7Confident73 Ų7377.6 Ų77.634%0.34140%0.396SS..  trans-131.752.1-169-57.9-179.4-32.300112V103 D104 W110 R111 Y112V103-Q108 HydrophobicContact CG1-CB 4.47Å; D104-Q108 WeakPolarHBondContact O-CA 3.34Å; D104-Q108 WeakPolarHBondContact O-CB 3.26Å; D104-Q108 PolarHBondContact O-N 3.07Å; Q108-W110 VanDerWaalsContact C-N 3.34Å; Q108-W110 PolarHBondContact O-N 3.04Å; Q108-R111 HydrophobicContact CB-CB 3.99Å; Q108-R111 PolarHBondContact O-N 3.14Å; Q108-Y112 PolarHBondContact O-N 3.15Å
109F87.7Confident89.7Confident89 Ų8972.2 Ų72.239%0.3937%0.369SS..Hα-helixtrans-46.7-50.7-176175.6-95.6000113.8R111 Y112 F113 F192F109-R111 PolarHBondContact O-N 2.83Å; F109-Y112 WeakPolarHBondContact O-CB 3.26Å; F109-Y112 PolarHBondContact O-N 2.87Å; F109-F113 WeakPolarHBondContact O-CB 3.24Å; F109-F113 PolarHBondContact O-N 3.2Å; F109-F192 AromaticContact CE2-CE1 3.76Å; F109-F192 HydrophobicContact CE2-CE1 3.76Å; F109-F192 HydrophobicContact CE2-CZ 4.02Å; F109-F192 AromaticContact CZ-CE1 3.76Å; F109-F192 HydrophobicContact CZ-CE1 3.76Å; F109-F192 HydrophobicContact CZ-CZ 4.45Å
110W89Confident89.6Confident193 Ų19369 Ų6973%0.73136%0.357SS*.Hα-helixtrans-65.5-36.6-178.9-75.1114.7000113.5Q108 F113 A114Q108-W110 VanDerWaalsContact C-N 3.34Å; Q108-W110 PolarHBondContact O-N 3.04Å; W110-F113 HydrophobicContact CE3-CD1 4.05Å; W110-F113 HydrophobicContact CZ3-CD1 4.06Å; W110-F113 HydrophobicContact CZ3-CE1 4.31Å; W110-F113 PolarHBondContact O-N 3.45Å; W110-A114 VanDerWaalsContact O-CB 3.3Å; W110-A114 WeakPolarHBondContact O-CB 3.14Å; W110-A114 PolarHBondContact O-N 3.25Å
111R91.3Very high89.7Confident147 Ų14767.9 Ų67.956%0.55535%0.352SS*.Hα-helixtrans-68.8-40.6174.7-171178176.3178.5-2.3110.9V103 Q108 F109 G115V103-R111 HydrophobicContact CG1-CB 4.14Å; V103-R111 HydrophobicContact CG1-CG 3.97Å; V103-R111 HydrophobicContact CG2-CG 4.12Å; Q108-R111 HydrophobicContact CB-CB 3.99Å; Q108-R111 PolarHBondContact O-N 3.14Å; F109-R111 PolarHBondContact O-N 2.83Å; R111-G115 PolarHBondContact O-N 3.44Å
112Y90.9Very high89.9Confident50 Ų5066.9 Ų66.920%0.19634%0.34CS..Hα-helixtrans-63.2-44.3174.7178.3-96000111.5L100 V103 R105 Q108 F109 N116 F192L100-Y112 HydrophobicContact CD2-CD2 3.96Å; L100-Y112 HydrophobicContact CD2-CE2 4.35Å; V103-Y112 HydrophobicContact CG1-CD2 4.46Å; R105-Y112 HydrophobicContact CB-CD1 4.2Å; R105-Y112 HydrophobicContact CB-CD2 3.86Å; R105-Y112 HydrophobicContact CB-CE1 4.36Å; R105-Y112 HydrophobicContact CB-CE2 4.05Å; R105-Y112 HydrophobicContact CB-CG 3.94Å; R105-Y112 HydrophobicContact CG-CD1 3.73Å; R105-Y112 HydrophobicContact CG-CD2 4.31Å; R105-Y112 HydrophobicContact CG-CE1 3.8Å; R105-Y112 HydrophobicContact CG-CE2 4.38Å; R105-Y112 HydrophobicContact CG-CG 3.99Å; Q108-Y112 PolarHBondContact O-N 3.15Å; F109-Y112 WeakPolarHBondContact O-CB 3.26Å; F109-Y112 PolarHBondContact O-N 2.87Å; Y112-N116 WeakPolarHBondContact CE1-ND2 3.22Å; Y112-N116 VanDerWaalsContact CE2-ND2 3.34Å; Y112-N116 WeakPolarHBondContact CE2-ND2 3.38Å; Y112-N116 WeakPolarHBondContact O-CB 3.22Å; Y112-N116 PolarHBondContact O-N 2.9Å; Y112-N116 PolarHBondContact O-ND2 2.91Å; Y112-F192 HydrophobicContact CD1-CE2 4.5Å; Y112-F192 HydrophobicContact CD1-CZ 4.39Å; Y112-F192 AromaticContact CE1-CE2 4Å; Y112-F192 HydrophobicContact CE1-CE2 4Å; Y112-F192 HydrophobicContact CE1-CZ 4.25Å
113F90.5Very high90.1Very high39 Ų3964.6 Ų64.617%0.17131%0.313CS..Hα-helixtrans-60.9-54.3175.8177.8-108.7000111.1F109 W110 G115 N116 L117 A189 F192F109-F113 WeakPolarHBondContact O-CB 3.24Å; F109-F113 PolarHBondContact O-N 3.2Å; W110-F113 HydrophobicContact CE3-CD1 4.05Å; W110-F113 HydrophobicContact CZ3-CD1 4.06Å; W110-F113 HydrophobicContact CZ3-CE1 4.31Å; W110-F113 PolarHBondContact O-N 3.45Å; F113-G115 PolarHBondContact O-N 3.31Å; F113-N116 WeakPolarHBondContact O-CB 3.41Å; F113-N116 PolarHBondContact O-N 3.39Å; F113-N116 VanDerWaalsContact O-N 3.12Å; F113-L117 HydrophobicContact CD1-CD1 4.2Å; F113-L117 HydrophobicContact CE1-CD1 3.59Å; F113-L117 HydrophobicContact CE1-CG 4.3Å; F113-L117 HydrophobicContact CE2-CD1 4.38Å; F113-L117 HydrophobicContact CE2-CD2 4.31Å; F113-L117 HydrophobicContact CE2-CG 4.4Å; F113-L117 HydrophobicContact CZ-CD1 3.71Å; F113-L117 HydrophobicContact CZ-CD2 4.34Å; F113-L117 HydrophobicContact CZ-CG 4.21Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.32Å; F113-A189 HydrophobicContact CZ-CB 4.13Å; F113-F192 HydrophobicContact CD2-CB 4.39Å; F113-F192 AromaticContact CD2-CD1 3.32Å; F113-F192 HydrophobicContact CD2-CD1 3.32Å; F113-F192 HydrophobicContact CD2-CD2 4.48Å; F113-F192 AromaticContact CD2-CE1 3.58Å; F113-F192 HydrophobicContact CD2-CE1 3.58Å; F113-F192 AromaticContact CD2-CG 3.81Å; F113-F192 HydrophobicContact CD2-CG 3.81Å; F113-F192 HydrophobicContact CD2-CZ 4.27Å; F113-F192 HydrophobicContact CE2-CB 3.97Å; F113-F192 AromaticContact CE2-CD1 3.48Å; F113-F192 HydrophobicContact CE2-CD1 3.48Å; F113-F192 VanDerWaalsContact CE2-CD1 3.48Å; F113-F192 HydrophobicContact CE2-CE1 4.19Å; F113-F192 AromaticContact CE2-CG 3.86Å; F113-F192 HydrophobicContact CE2-CG 3.86Å
114A92.6Very high90.3Very high54 Ų5464.2 Ų64.245%0.44631%0.314SS..Hα-helixtrans-59.1-43.7178.300000112.3W110 N116 L117 A118W110-A114 VanDerWaalsContact O-CB 3.3Å; W110-A114 WeakPolarHBondContact O-CB 3.14Å; W110-A114 PolarHBondContact O-N 3.25Å; A114-N116 VanDerWaalsContact C-N 3.32Å; A114-N116 PolarHBondContact O-N 2.85Å; A114-L117 PolarHBondContact O-N 2.7Å; A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 3.03Å
115G93.1Very high90.7Very high8 Ų862.3 Ų62.38%0.08231%0.307CS..Hα-helixtrans-62.5-37175.700000112.7F99 R111 F113 S119F99-G115 WeakPolarHBondContact CB-O 3.35Å; R111-G115 PolarHBondContact O-N 3.44Å; F113-G115 PolarHBondContact O-N 3.31Å; G115-S119 WeakPolarHBondContact O-CB 3.28Å; G115-S119 PolarHBondContact O-N 3.15Å
116N91.5Very high91.2Very high23 Ų2358.8 Ų58.812%0.12330%0.296CS..Hα-helixtrans-67.5-39.7174.1-91-80.4000112.5Y112 F113 A114 G120 R188Y112-N116 WeakPolarHBondContact CE1-ND2 3.22Å; Y112-N116 VanDerWaalsContact CE2-ND2 3.34Å; Y112-N116 WeakPolarHBondContact CE2-ND2 3.38Å; Y112-N116 WeakPolarHBondContact O-CB 3.22Å; Y112-N116 PolarHBondContact O-N 2.9Å; Y112-N116 PolarHBondContact O-ND2 2.91Å; F113-N116 WeakPolarHBondContact O-CB 3.41Å; F113-N116 PolarHBondContact O-N 3.39Å; F113-N116 VanDerWaalsContact O-N 3.12Å; A114-N116 VanDerWaalsContact C-N 3.32Å; A114-N116 PolarHBondContact O-N 2.85Å; N116-G120 PolarHBondContact O-N 3.21Å; N116-R188 WeakPolarHBondContact O-CD 3.49Å; N116-R188 PolarHBondContact O-NH1 3.38Å
117L93.4Very high91.7Very high29 Ų2951.6 Ų51.615%0.15227%0.265CS..Hα-helixtrans-65-47.3174.7-63.4-170.2000111.3F113 A114 G120 G121 R188 A189F113-L117 HydrophobicContact CD1-CD1 4.2Å; F113-L117 HydrophobicContact CE1-CD1 3.59Å; F113-L117 HydrophobicContact CE1-CG 4.3Å; F113-L117 HydrophobicContact CE2-CD1 4.38Å; F113-L117 HydrophobicContact CE2-CD2 4.31Å; F113-L117 HydrophobicContact CE2-CG 4.4Å; F113-L117 HydrophobicContact CZ-CD1 3.71Å; F113-L117 HydrophobicContact CZ-CD2 4.34Å; F113-L117 HydrophobicContact CZ-CG 4.21Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 2.7Å; L117-G120 PolarHBondContact O-N 2.89Å; L117-G121 PolarHBondContact O-N 3.29Å; L117-R188 HydrophobicContact CD2-CB 4.12Å; L117-R188 HydrophobicContact CD2-CG 3.89Å; L117-A189 HydrophobicContact CD1-CB 4.03Å; L117-A189 HydrophobicContact CD2-CB 3.82Å
118A93.4Very high92.1Very high39 Ų3943.8 Ų43.832%0.32223%0.232SC..Hα-helixtrans-62.6-46.5178.500000111.8F99 A114 G120 G121 A122F99-A118 HydrophobicContact CD1-CB 3.57Å; F99-A118 HydrophobicContact CD2-CB 4.45Å; F99-A118 HydrophobicContact CE1-CB 3.76Å; F99-A118 HydrophobicContact CG-CB 3.95Å; F99-A118 HydrophobicContact CZ-CB 4.28Å; A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 3.03Å; A118-G120 PolarHBondContact O-N 3.5Å; A118-G121 PolarHBondContact O-N 2.92Å; A118-A122 VanDerWaalsContact O-CB 3.23Å; A118-A122 WeakPolarHBondContact O-CB 3.49Å; A118-A122 PolarHBondContact O-N 3.46Å
119S92.7Very high92.5Very high5 Ų543.2 Ų43.24%0.03524%0.236CC..Hα-helixtrans-58.2-48.7175.6-1750000112.1Y95 K96 F99 G115 A123Y95-S119 VanDerWaalsContact C-OG 3.23Å; Y95-S119 PolarHBondContact O-OG 2.88Å; K96-S119 PolarHBondContact N-OG 3.42Å; F99-S119 VanDerWaalsContact CD2-CA 3.48Å; G115-S119 WeakPolarHBondContact O-CB 3.28Å; G115-S119 PolarHBondContact O-N 3.15Å; S119-A123 VanDerWaalsContact O-CB 3.25Å; S119-A123 WeakPolarHBondContact O-CB 3.11Å; S119-A123 PolarHBondContact O-N 2.96Å
120G90.3Very high92.8Very high8 Ų845.2 Ų45.28%0.08224%0.244CC..Hα-helixtrans-66.8-41.5178.600000113.6N116 L117 A118 G124N116-G120 PolarHBondContact O-N 3.21Å; L117-G120 PolarHBondContact O-N 2.89Å; A118-G120 PolarHBondContact O-N 3.5Å; G120-G124 PolarHBondContact O-N 3.34Å
121G93.2Very high93.2Very high5 Ų536.1 Ų36.15%0.05221%0.21CC..Hα-helixtrans-63.6-45.8176.500000112L117 A118 G124 A125L117-G121 PolarHBondContact O-N 3.29Å; A118-G121 PolarHBondContact O-N 2.92Å; G121-G124 PolarHBondContact O-N 2.71Å; G121-A125 VanDerWaalsContact O-CB 3.3Å; G121-A125 WeakPolarHBondContact O-CB 3.37Å; G121-A125 PolarHBondContact O-N 2.91Å
122A93.6Very high93.5Very high25 Ų2529.1 Ų29.121%0.20718%0.184CC..Hα-helixtrans-66.9-43.8178.100000112.5Y95 F99 A118 G124 A125 T126Y95-A122 HydrophobicContact CD1-CB 3.76Å; Y95-A122 HydrophobicContact CE1-CB 3.73Å; Y95-A122 HydrophobicContact CG-CB 4.38Å; F99-A122 HydrophobicContact CE2-CB 3.72Å; F99-A122 HydrophobicContact CZ-CB 4.2Å; A118-A122 VanDerWaalsContact O-CB 3.23Å; A118-A122 WeakPolarHBondContact O-CB 3.49Å; A118-A122 PolarHBondContact O-N 3.46Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.1Å; A122-A125 PolarHBondContact O-N 3.3Å; A122-T126 WeakPolarHBondContact O-CB 3.32Å; A122-T126 PolarHBondContact O-N 3.17Å; A122-T126 PolarHBondContact O-OG1 3.3Å
123A92.5Very high93.8Very high33 Ų3327.8 Ų27.827%0.27318%0.181SC..Hα-helixtrans-61.6-43.4173.800000111.4Y95 S119 S127Y95-A123 HydrophobicContact CD2-CB 3.62Å; Y95-A123 HydrophobicContact CE2-CB 4.18Å; Y95-A123 HydrophobicContact CG-CB 4.3Å; S119-A123 VanDerWaalsContact O-CB 3.25Å; S119-A123 WeakPolarHBondContact O-CB 3.11Å; S119-A123 PolarHBondContact O-N 2.96Å; A123-S127 WeakPolarHBondContact O-CB 3.49Å; A123-S127 PolarHBondContact O-N 2.99Å
124G92.4Very high94.2Very high13 Ų1327.2 Ų27.213%0.13418%0.18CC..Hα-helixtrans-62.1-49.8175.900000112.7G120 G121 A122 T126 S127 L128G120-G124 PolarHBondContact O-N 3.34Å; G121-G124 PolarHBondContact O-N 2.71Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.1Å; G124-T126 PolarHBondContact O-N 3.39Å; G124-S127 WeakPolarHBondContact O-CB 3.25Å; G124-S127 PolarHBondContact O-N 3.34Å; G124-L128 WeakPolarHBondContact O-CB 3.45Å; G124-L128 VanDerWaalsContact O-CG 3.28Å; G124-L128 WeakPolarHBondContact O-CG 3.19Å; G124-L128 PolarHBondContact O-N 2.8Å
125A95Very high94.4Very high22 Ų2225 Ų2518%0.18216%0.161CC..Hα-helixtrans-59.4-46.1178.200000111.6G121 A122 S127 L128 C129 V181G121-A125 VanDerWaalsContact O-CB 3.3Å; G121-A125 WeakPolarHBondContact O-CB 3.37Å; G121-A125 PolarHBondContact O-N 2.91Å; A122-A125 PolarHBondContact O-N 3.3Å; A125-S127 PolarHBondContact O-N 3Å; A125-L128 CarbonylContact O-C 3.55Å; A125-L128 WeakPolarHBondContact O-CB 3.49Å; A125-L128 PolarHBondContact O-N 3.41Å; A125-C129 PolarHBondContact O-N 2.85Å; A125-C129 PolarHBondContact O-SG 3.08Å; A125-V181 HydrophobicContact CB-CG1 4.09Å; A125-V181 HydrophobicContact CB-CG2 3.89Å
126T94.2Very high94.7Very high29 Ų2924.7 Ų24.718%0.17816%0.157CC..Hα-helixtrans-63.4-43.9177.7-58.30000111.4F91 Y95 A122 G124 L128 C129 F130F91-T126 HydrophobicContact CD2-CG2 4.35Å; F91-T126 HydrophobicContact CE2-CG2 4.32Å; Y95-T126 PolarHBondContact OH-OG1 3.45Å; A122-T126 WeakPolarHBondContact O-CB 3.32Å; A122-T126 PolarHBondContact O-N 3.17Å; A122-T126 PolarHBondContact O-OG1 3.3Å; G124-T126 PolarHBondContact O-N 3.39Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 3.45Å; T126-C129 WeakPolarHBondContact O-CB 3.46Å; T126-C129 PolarHBondContact O-N 2.76Å; T126-C129 VanDerWaalsContact O-N 3.15Å; T126-F130 HydrophobicContact CG2-CE2 4.25Å; T126-F130 VanDerWaalsContact O-CD2 3.24Å; T126-F130 WeakPolarHBondContact O-CD2 3.49Å
127S94.2Very high95Very high21 Ų2123.6 Ų23.615%0.14715%0.151CC..Hα-helixtrans-56.5-49.4173.8-172.90000110.9A123 G124 A125 C129 F130 V131A123-S127 WeakPolarHBondContact O-CB 3.49Å; A123-S127 PolarHBondContact O-N 2.99Å; G124-S127 WeakPolarHBondContact O-CB 3.25Å; G124-S127 PolarHBondContact O-N 3.34Å; A125-S127 PolarHBondContact O-N 3Å; S127-C129 VanDerWaalsContact C-N 3.29Å; S127-C129 PolarHBondContact O-N 3.45Å; S127-F130 PolarHBondContact O-N 3.5Å; S127-F130 VanDerWaalsContact O-N 3.11Å; S127-V131 WeakPolarHBondContact O-CG2 3.36Å; S127-V131 PolarHBondContact O-N 3.46Å
128L95.5Very high95.2Very high15 Ų1523 Ų238%0.07915%0.147CC..Hα-helixtrans-59.8-37177.6-68.7179.5000111.8G124 A125 T126 F130 V131 Y132 F177 V181 I184G124-L128 WeakPolarHBondContact O-CB 3.45Å; G124-L128 VanDerWaalsContact O-CG 3.28Å; G124-L128 WeakPolarHBondContact O-CG 3.19Å; G124-L128 PolarHBondContact O-N 2.8Å; A125-L128 CarbonylContact O-C 3.55Å; A125-L128 WeakPolarHBondContact O-CB 3.49Å; A125-L128 PolarHBondContact O-N 3.41Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 3.45Å; L128-F130 PolarHBondContact O-N 3.22Å; L128-V131 HydrophobicContact CD2-CG2 4.48Å; L128-V131 PolarHBondContact O-N 3.34Å; L128-Y132 HydrophobicContact CB-CD2 4.13Å; L128-Y132 HydrophobicContact CD1-CD2 4.38Å; L128-Y132 HydrophobicContact CD2-CD2 3.93Å; L128-Y132 HydrophobicContact CG-CD2 4.36Å; L128-Y132 WeakPolarHBondContact O-CB 3.3Å; L128-Y132 PolarHBondContact O-N 2.98Å; L128-F177 HydrophobicContact CB-CD2 4.13Å; L128-F177 HydrophobicContact CB-CE2 3.47Å; L128-F177 VanDerWaalsContact CB-CE2 3.47Å; L128-F177 HydrophobicContact CB-CZ 4.22Å; L128-V181 HydrophobicContact CD1-CG2 4.28Å; L128-I184 HydrophobicContact CD1-CD1 3.72Å; L128-I184 HydrophobicContact CG-CD1 4.28Å
129C95.7Very high95.4Very high61 Ų6121.1 Ų21.141%0.41213%0.131SC..Hα-helixtrans-51.8-34.3176.5-69.40000112.7A125 T126 S127 Y174A125-C129 PolarHBondContact O-N 2.85Å; A125-C129 PolarHBondContact O-SG 3.08Å; T126-C129 WeakPolarHBondContact O-CB 3.46Å; T126-C129 PolarHBondContact O-N 2.76Å; T126-C129 VanDerWaalsContact O-N 3.15Å; S127-C129 VanDerWaalsContact C-N 3.29Å; S127-C129 PolarHBondContact O-N 3.45Å; C129-Y174 PolarHBondContact O-OH 2.85Å
130F94.8Very high95.7Very high131 Ų13121.2 Ų21.258%0.57513%0.131SC*.Hα-helixtrans-94.6-39.1177.6-62.1-82.1000113.4L87 T126 S127 L128L87-F130 HydrophobicContact CD1-CB 3.73Å; L87-F130 HydrophobicContact CD1-CD2 3.92Å; L87-F130 HydrophobicContact CD1-CG 4.13Å; L87-F130 HydrophobicContact CD2-CD2 3.69Å; L87-F130 HydrophobicContact CD2-CE2 4.05Å; L87-F130 HydrophobicContact CD2-CG 4.27Å; L87-F130 HydrophobicContact CG-CD2 4.49Å; T126-F130 HydrophobicContact CG2-CE2 4.25Å; T126-F130 VanDerWaalsContact O-CD2 3.24Å; T126-F130 WeakPolarHBondContact O-CD2 3.49Å; S127-F130 PolarHBondContact O-N 3.5Å; S127-F130 VanDerWaalsContact O-N 3.11Å; L128-F130 PolarHBondContact O-N 3.22Å
131V96.3Very high96Very high2 Ų221.2 Ų21.21%0.01213%0.129CC..Hα-helixtrans-99.8-5.3-168.8-480000114.4R80 P83 L87 S127 L128 L134 D135R80-V131 HydrophobicContact CG-CB 4.12Å; R80-V131 HydrophobicContact CG-CG2 4.32Å; P83-V131 HydrophobicContact CB-CG1 3.85Å; P83-V131 HydrophobicContact CG-CG1 3.84Å; L87-V131 HydrophobicContact CD1-CG1 3.82Å; S127-V131 WeakPolarHBondContact O-CG2 3.36Å; S127-V131 PolarHBondContact O-N 3.46Å; L128-V131 HydrophobicContact CD2-CG2 4.48Å; L128-V131 PolarHBondContact O-N 3.34Å; V131-L134 WeakPolarHBondContact O-CB 3.41Å; V131-L134 PolarHBondContact O-N 3.02Å; V131-D135 PolarHBondContact O-N 2.78Å
132Y97.7Very high96.2Very high0 Ų021.1 Ų21.10%013%0.128CC..Hα-helixtrans-57.5-43.7-177.8-154.5-92000113.7L128 L134 D135 F136 L173 Y174 Q175 G176 F177 S180 R235 M239L128-Y132 HydrophobicContact CB-CD2 4.13Å; L128-Y132 HydrophobicContact CD1-CD2 4.38Å; L128-Y132 HydrophobicContact CD2-CD2 3.93Å; L128-Y132 HydrophobicContact CG-CD2 4.36Å; L128-Y132 WeakPolarHBondContact O-CB 3.3Å; L128-Y132 PolarHBondContact O-N 2.98Å; Y132-L134 PolarHBondContact O-N 2.69Å; Y132-L134 VanDerWaalsContact O-N 3.16Å; Y132-D135 PolarHBondContact O-N 3.4Å; Y132-F136 HydrophobicContact CD1-CB 4.33Å; Y132-F136 HydrophobicContact CE1-CB 4.46Å; Y132-F136 WeakPolarHBondContact O-CB 3.39Å; Y132-F136 PolarHBondContact O-N 2.92Å; Y132-L173 WeakPolarHBondContact CD1-O 3.23Å; Y132-Y174 HydrophobicContact CD1-CD1 4.29Å; Y132-Y174 HydrophobicContact CD1-CG 4.44Å; Y132-Y174 HydrophobicContact CG-CD1 4.2Å; Y132-Q175 PolarHBondContact OH-O 3.04Å; Y132-Q175 VanDerWaalsContact OH-O 3.11Å; Y132-G176 PolarHBondContact OH-O 3.46Å; Y132-F177 AromaticContact CD2-CD2 3.69Å; Y132-F177 HydrophobicContact CD2-CD2 3.69Å; Y132-F177 HydrophobicContact CD2-CE2 4.44Å; Y132-F177 HydrophobicContact CE2-CB 4.22Å; Y132-F177 HydrophobicContact CE2-CD2 4.06Å; Y132-F177 HydrophobicContact CG-CD2 4.07Å; Y132-F177 PolarHBondContact OH-N 2.92Å; Y132-F177 VanDerWaalsContact OH-N 3.14Å; Y132-S180 VanDerWaalsContact CE2-OG 3.24Å; Y132-S180 WeakPolarHBondContact CE2-OG 3.48Å; Y132-S180 PolarHBondContact OH-OG 2.84Å; Y132-S180 VanDerWaalsContact OH-OG 3.04Å; Y132-R235 PolarHBondContact OH-NE 3.27Å; Y132-M239 HydrophobicContact CD1-CE 4.49Å; Y132-M239 HydrophobicContact CE1-CE 3.63Å; Y132-M239 HydrophobicContact CE2-CE 4.16Å; Y132-M239 VanDerWaalsContact CZ-CE 3.44Å; Y132-M239 VanDerWaalsContact OH-CE 3.26Å; Y132-M239 WeakPolarHBondContact OH-CE 3.48Å
133P98Very high96.4Very high22 Ų2220 Ų2014%0.14312%0.118CC..Hα-helixtrans-57.4-32.8178.9-27.837.4000113.3A137 Y174P133-A137 VanDerWaalsContact O-CB 3.27Å; P133-A137 WeakPolarHBondContact O-CB 3.5Å; P133-A137 PolarHBondContact O-N 3.36Å; P133-Y174 HydrophobicContact CG-CE2 3.8Å
134L97.8Very high96.6Very high27 Ų2718.4 Ų18.414%0.14111%0.105CC..Hα-helixtrans-72-38.5175.3-65.8172.3000112.2I79 R80 P83 V131 Y132 R138 L157I79-L134 HydrophobicContact CG2-CD1 3.99Å; I79-L134 HydrophobicContact CG2-CD2 4.21Å; R80-L134 HydrophobicContact CB-CB 3.99Å; R80-L134 HydrophobicContact CB-CD1 4.08Å; R80-L134 HydrophobicContact CG-CB 4.11Å; R80-L134 HydrophobicContact CG-CD1 4.45Å; P83-L134 HydrophobicContact CG-CD1 4.16Å; V131-L134 WeakPolarHBondContact O-CB 3.41Å; V131-L134 PolarHBondContact O-N 3.02Å; Y132-L134 PolarHBondContact O-N 2.69Å; Y132-L134 VanDerWaalsContact O-N 3.16Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.23Å; L134-R138 PolarHBondContact O-N 3.41Å; L134-L157 HydrophobicContact CD2-CD1 4.28Å; L134-L157 HydrophobicContact CD2-CD2 4.08Å
135D97.3Very high96.7Very high8 Ų818.6 Ų18.64%0.04310%0.104CC..Hα-helixtrans-71.7-37.5176.3-156.89.7000111.7V131 Y132 R138 T139 R235 R236V131-D135 PolarHBondContact O-N 2.78Å; Y132-D135 PolarHBondContact O-N 3.4Å; D135-R138 WeakPolarHBondContact O-CB 3.43Å; D135-R138 PolarHBondContact O-N 3.17Å; D135-T139 PolarHBondContact O-N 3.49Å; D135-T139 PolarHBondContact O-OG1 3.29Å; D135-R235 IonicContact OD2-CZ 2.96Å; D135-R235 IonicContact OD2-NH1 3.37Å; D135-R235 PolarHBondContact OD2-NH1 2.91Å; D135-R235 IonicContact OD2-NH2 2.79Å; D135-R235 PolarHBondContact OD2-NH2 3.26Å; D135-R236 VanDerWaalsContact CG-NH1 3.28Å; D135-R236 IonicContact OD1-CZ 2.76Å; D135-R236 IonicContact OD1-NH1 3.63Å; D135-R236 PolarHBondContact OD1-NH1 3.02Å; D135-R236 IonicContact OD1-NH2 2.77Å; D135-R236 PolarHBondContact OD1-NH2 3.22Å; D135-R236 IonicContact OD2-CZ 3.92Å; D135-R236 IonicContact OD2-NH1 3.74Å; D135-R236 PolarHBondContact OD2-NH1 3.4Å; D135-R236 IonicContact OD2-NH2 2.97Å; D135-R236 PolarHBondContact OD2-NH2 3.34Å
136F98.4Very high96.6Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-58.2-54.5170.2172.7-85.9000110.8Y132 R138 T139 R140 I164 G172 L173 M239Y132-F136 HydrophobicContact CD1-CB 4.33Å; Y132-F136 HydrophobicContact CE1-CB 4.46Å; Y132-F136 WeakPolarHBondContact O-CB 3.39Å; Y132-F136 PolarHBondContact O-N 2.92Å; F136-R138 VanDerWaalsContact C-N 3.3Å; F136-R138 PolarHBondContact O-N 3.5Å; F136-T139 PolarHBondContact O-N 3.45Å; F136-R140 HydrophobicContact CD1-CG 4.07Å; F136-R140 HydrophobicContact CD2-CG 4.47Å; F136-R140 HydrophobicContact CE1-CG 3.54Å; F136-R140 HydrophobicContact CE2-CG 4.01Å; F136-R140 HydrophobicContact CG-CG 4.48Å; F136-R140 HydrophobicContact CZ-CG 3.49Å; F136-R140 VanDerWaalsContact CZ-CG 3.49Å; F136-R140 WeakPolarHBondContact O-CG 3.4Å; F136-R140 PolarHBondContact O-N 2.93Å; F136-I164 HydrophobicContact CE1-CB 4.17Å; F136-I164 HydrophobicContact CE1-CG1 3.87Å; F136-I164 HydrophobicContact CE1-CG2 3.94Å; F136-I164 HydrophobicContact CZ-CB 4.38Å; F136-I164 HydrophobicContact CZ-CD1 4.49Å; F136-I164 HydrophobicContact CZ-CG1 4.01Å; F136-I164 HydrophobicContact CZ-CG2 3.8Å; F136-G172 WeakPolarHBondContact CE2-O 3.43Å; F136-L173 HydrophobicContact CD1-CD2 3.98Å; F136-L173 HydrophobicContact CE1-CD2 4.01Å; F136-M239 HydrophobicContact CB-CE 4.4Å; F136-M239 HydrophobicContact CD2-CB 3.85Å; F136-M239 HydrophobicContact CD2-CG 3.86Å; F136-M239 HydrophobicContact CE2-CB 4.02Å; F136-M239 HydrophobicContact CE2-CG 4.49Å; F136-M239 WeakPolarHBondContact CE2-O 3.44Å
137A98.2Very high96.3Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-63.2-37.9-178.600000111.8P133 T139 R140 L141 L157 C160 I161P133-A137 VanDerWaalsContact O-CB 3.27Å; P133-A137 WeakPolarHBondContact O-CB 3.5Å; P133-A137 PolarHBondContact O-N 3.36Å; A137-T139 VanDerWaalsContact C-N 3.35Å; A137-T139 PolarHBondContact O-N 3.33Å; A137-R140 PolarHBondContact O-N 2.97Å; A137-L141 VanDerWaalsContact O-CB 3.23Å; A137-L141 WeakPolarHBondContact O-CB 3.05Å; A137-L141 WeakPolarHBondContact O-CG 3.37Å; A137-L141 PolarHBondContact O-N 2.88Å; A137-L157 HydrophobicContact CB-CD1 3.34Å; A137-C160 HydrophobicContact CB-CB 4.5Å; A137-I161 HydrophobicContact CB-CD1 4.43Å; A137-I161 HydrophobicContact CB-CG1 4.01Å
138R97.8Very high95.9Very high17 Ų1723.4 Ų23.46%0.06413%0.127CC..Hα-helixtrans-54.6-50.8170.9178.7-165.8-174.5-173.97.8111E30 A76 N77 L134 D135 F136 A142E30-R138 IonicContact OE1-CZ 3.82Å; E30-R138 IonicContact OE1-NE 3.4Å; E30-R138 IonicContact OE1-NH1 3.6Å; E30-R138 PolarHBondContact OE1-NH1 3.47Å; E30-R138 IonicContact OE1-NH2 3.89Å; E30-R138 PolarHBondContact OE1-NH2 2.93Å; A76-R138 HydrophobicContact CB-CB 3.94Å; N77-R138 HydrophobicContact CB-CG 4.22Å; N77-R138 PolarHBondContact ND2-NH2 2.89Å; N77-R138 VanDerWaalsContact ND2-NH2 3.1Å; N77-R138 PolarHBondContact OD1-NH1 2.87Å; N77-R138 VanDerWaalsContact OD1-NH1 3.17Å; N77-R138 PolarHBondContact OD1-NH2 2.94Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.23Å; L134-R138 PolarHBondContact O-N 3.41Å; D135-R138 WeakPolarHBondContact O-CB 3.43Å; D135-R138 PolarHBondContact O-N 3.17Å; F136-R138 VanDerWaalsContact C-N 3.3Å; F136-R138 PolarHBondContact O-N 3.5Å; R138-A142 WeakPolarHBondContact O-CB 3.46Å; R138-A142 PolarHBondContact O-N 2.89Å
139T98Very high95.4Very high0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-64.5-45.7179.9-69.20000112.3V38 D135 F136 A137 A142 A143 R236 M239V38-T139 HydrophobicContact CG1-CG2 4.44Å; D135-T139 PolarHBondContact O-N 3.49Å; D135-T139 PolarHBondContact O-OG1 3.29Å; F136-T139 PolarHBondContact O-N 3.45Å; A137-T139 VanDerWaalsContact C-N 3.35Å; A137-T139 PolarHBondContact O-N 3.33Å; T139-A142 CarbonylContact O-C 3.52Å; T139-A142 PolarHBondContact O-N 3.46Å; T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.48Å; T139-R236 HydrophobicContact CG2-CB 4.19Å; T139-R236 HydrophobicContact CG2-CG 4.43Å; T139-R236 WeakPolarHBondContact OG1-CD 3.42Å; T139-R236 PolarHBondContact OG1-NH1 2.96Å; T139-M239 HydrophobicContact CG2-CB 4.4Å; T139-M239 HydrophobicContact CG2-SD 3.94Å
140R98.1Very high95Very high6 Ų628.6 Ų28.62%0.02318%0.177CC..Hα-helixtrans-63.3-45.6179.5-65.4-64.3-79.8122.12.3111.6F136 A137 A142 A143 D144 E153 F154 M239 M240 S242F136-R140 HydrophobicContact CD1-CG 4.07Å; F136-R140 HydrophobicContact CD2-CG 4.47Å; F136-R140 HydrophobicContact CE1-CG 3.54Å; F136-R140 HydrophobicContact CE2-CG 4.01Å; F136-R140 HydrophobicContact CG-CG 4.48Å; F136-R140 HydrophobicContact CZ-CG 3.49Å; F136-R140 VanDerWaalsContact CZ-CG 3.49Å; F136-R140 WeakPolarHBondContact O-CG 3.4Å; F136-R140 PolarHBondContact O-N 2.93Å; A137-R140 PolarHBondContact O-N 2.97Å; R140-A142 VanDerWaalsContact C-N 3.34Å; R140-A142 PolarHBondContact O-N 2.91Å; R140-A143 PolarHBondContact O-N 2.95Å; R140-D144 WeakPolarHBondContact O-CB 3.28Å; R140-D144 PolarHBondContact O-N 3.47Å; R140-E153 IonicContact CZ-OE1 2.7Å; R140-E153 IonicContact CZ-OE2 3.27Å; R140-E153 IonicContact NH1-OE2 3.95Å; R140-E153 PolarHBondContact NH1-OE2 3.07Å; R140-E153 IonicContact NH2-OE1 3.9Å; R140-E153 PolarHBondContact NH2-OE1 3.14Å; R140-E153 IonicContact NH2-OE2 3.07Å; R140-E153 PolarHBondContact NH2-OE2 2.93Å; R140-F154 HydrophobicContact CB-CD2 4.43Å; R140-F154 HydrophobicContact CB-CE2 3.82Å; R140-F154 HydrophobicContact CB-CZ 4.4Å; R140-M239 WeakPolarHBondContact CD-O 3.25Å; R140-M240 PolarHBondContact NH1-SD 2.87Å; R140-M240 VanDerWaalsContact NH1-SD 3.41Å; R140-S242 PolarHBondContact NH2-O 3.13Å
141L98Very high94.8Very high8 Ų828.1 Ų28.14%0.04218%0.176CC..Hα-helixtrans-63.9-39.5174.4-68.7170.8000112R31 R72 A137 A143 D144 F154 L157 C160R31-L141 PolarHBondContact NH1-O 3.31Å; R72-L141 WeakPolarHBondContact CG-O 3.33Å; R72-L141 PolarHBondContact NE-O 3.07Å; A137-L141 VanDerWaalsContact O-CB 3.23Å; A137-L141 WeakPolarHBondContact O-CB 3.05Å; A137-L141 WeakPolarHBondContact O-CG 3.37Å; A137-L141 PolarHBondContact O-N 2.88Å; L141-A143 PolarHBondContact O-N 3.35Å; L141-D144 PolarHBondContact O-N 3.46Å; L141-F154 HydrophobicContact CD2-CB 3.75Å; L141-F154 HydrophobicContact CD2-CD2 4.48Å; L141-F154 HydrophobicContact CD2-CG 4.43Å; L141-L157 HydrophobicContact CD1-CB 4.33Å; L141-C160 HydrophobicContact CD2-CB 4.26Å; L141-C160 HydrophobicContact CG-CB 4.34Å
142A97.5Very high94.8Very high3 Ų331 Ų313%0.02519%0.187CC..Hα-helixtrans-68-20.2176.100000113.7R31 L34 R138 T139 R140R31-A142 VanDerWaalsContact CD-O 3.25Å; R31-A142 WeakPolarHBondContact CD-O 3.31Å; R31-A142 PolarHBondContact NE-O 3.27Å; R31-A142 PolarHBondContact NH1-O 3.33Å; R31-A142 PolarHBondContact NH2-O 3.15Å; L34-A142 HydrophobicContact CB-CB 3.89Å; L34-A142 HydrophobicContact CD1-CB 3.31Å; L34-A142 HydrophobicContact CG-CB 4.21Å; R138-A142 WeakPolarHBondContact O-CB 3.46Å; R138-A142 PolarHBondContact O-N 2.89Å; T139-A142 CarbonylContact O-C 3.52Å; T139-A142 PolarHBondContact O-N 3.46Å; R140-A142 VanDerWaalsContact C-N 3.34Å; R140-A142 PolarHBondContact O-N 2.91Å
143A97Very high94.6Very high1 Ų132.9 Ų32.91%0.00820%0.196CC..Hα-helixtrans-95.3-22.8175.300000112.6V38 T139 R140 L141 V145 M240V38-A143 HydrophobicContact CG2-CB 3.53Å; T139-A143 WeakPolarHBondContact O-CB 3.31Å; T139-A143 PolarHBondContact O-N 3.48Å; R140-A143 PolarHBondContact O-N 2.95Å; L141-A143 PolarHBondContact O-N 3.35Å; A143-V145 PolarHBondContact O-N 3.42Å; A143-M240 HydrophobicContact CB-CE 3.49Å; A143-M240 VanDerWaalsContact CB-CE 3.49Å; A143-M240 HydrophobicContact CB-SD 3.6Å; A143-M240 VanDerWaalsContact CB-SD 3.6Å
144D96.4Very high94.6Very high0 Ų031.9 Ų31.90%019%0.189CC..  trans-70.4114.5-178-176.510000110.9R31 Q44 R72 R140 L141 R152 E153 F154R31-D144 PolarHBondContact NH2-O 2.97Å; Q44-D144 PolarHBondContact NE2-OD1 2.91Å; Q44-D144 VanDerWaalsContact OE1-CA 3.31Å; Q44-D144 PolarHBondContact OE1-OD1 3.4Å; R72-D144 WeakPolarHBondContact CD-O 3.31Å; R72-D144 IonicContact CZ-OD2 3.21Å; R72-D144 PolarHBondContact NE-O 2.59Å; R72-D144 IonicContact NE-OD2 3.65Å; R72-D144 IonicContact NH2-OD2 3.02Å; R72-D144 PolarHBondContact NH2-OD2 3.02Å; R140-D144 WeakPolarHBondContact O-CB 3.28Å; R140-D144 PolarHBondContact O-N 3.47Å; L141-D144 PolarHBondContact O-N 3.46Å; D144-R152 VanDerWaalsContact OD1-CA 3.31Å; D144-R152 WeakPolarHBondContact OD1-CA 3.22Å; D144-E153 VanDerWaalsContact CG-N 3.33Å; D144-E153 PolarHBondContact OD1-N 2.95Å; D144-E153 PolarHBondContact OD2-N 2.84Å; D144-F154 HydrophobicContact CB-CD2 4.27Å; D144-F154 PolarHBondContact OD2-N 3.24Å
145V95.9Very high94.5Very high17 Ų1735.5 Ų35.510%0.10321%0.212CC..  trans-108.9146.6-175.9-630000111.6L35 Q44 I45 Q65 A143L35-V145 HydrophobicContact CD2-CG1 3.71Å; Q44-V145 HydrophobicContact CB-CG2 3.43Å; Q44-V145 VanDerWaalsContact CB-CG2 3.43Å; Q44-V145 HydrophobicContact CG-CG2 4.32Å; Q44-V145 PolarHBondContact NE2-O 3.07Å; I45-V145 HydrophobicContact CD1-CG1 4.07Å; I45-V145 HydrophobicContact CG1-CG1 4.35Å; I45-V145 HydrophobicContact CG1-CG2 3.92Å; Q65-V145 HydrophobicContact CG-CB 4.39Å; A143-V145 PolarHBondContact O-N 3.42Å
146G92.5Very high94.4Very high8 Ų836.2 Ų36.28%0.08222%0.222CC..  trans148.8157.5175.600000112.4R152G146-R152 VanDerWaalsContact O-CZ 3.3Å; G146-R152 PolarHBondContact O-NE 2.97Å; G146-R152 PolarHBondContact O-NH2 3.37Å
147K87.8Confident94.3Very high132 Ų13237.6 Ų37.657%0.57423%0.229SC*.SBendtrans-82-39.1178.9-65.2-167.5175-179.10112.6K63 E64K63-K147 WeakPolarHBondContact O-CE 3.47Å; K63-K147 PolarHBondContact O-NZ 3.48Å; E64-K147 WeakPolarHBondContact O-CE 3.46Å; E64-K147 WeakPolarHBondContact O-CG 3.35Å
148G84.8Confident94.3Very high34 Ų3439.9 Ų39.935%0.35125%0.252SS..SBendtrans-124.3174-173.400000114A150 Q151 R152G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 3.27Å; G148-Q151 PolarHBondContact O-N 3.17Å; G148-R152 WeakPolarHBondContact O-CG 3.37Å; G148-R152 PolarHBondContact O-N 3.37Å
149A85.1Confident94.3Very high78 Ų7842 Ų4265%0.64527%0.265SS*.G310 helixtrans-59.2-36.3179.700000112.9Q151 R152A149-Q151 VanDerWaalsContact C-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.46Å; A149-R152 PolarHBondContact O-N 3Å
150A88.8Confident94.3Very high107 Ų10742 Ų4288%0.88427%0.265SS*.G310 helixtrans-68.2-24.4-18000000114.2G148G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 3.27Å
151Q90.6Very high94.3Very high120 Ų12043.8 Ų43.856%0.56127%0.274SS*.G310 helixtrans-93.9-16-179.8-67.3176.8-19.800112.7Q44 G148 A149Q44-Q151 PolarHBondContact NE2-O 3.25Å; G148-Q151 PolarHBondContact O-N 3.17Å; A149-Q151 VanDerWaalsContact C-N 3.29Å; A149-Q151 PolarHBondContact O-N 3.46Å
152R94.3Very high94.3Very high64 Ų6446.7 Ų46.724%0.24229%0.292CS..  trans-94.4143.6-174.2-74.4175.6176.6-179.56.7110.8R72 D144 G146 G148 A149 F154R72-R152 VanDerWaalsContact NH1-NH1 3.14Å; D144-R152 VanDerWaalsContact OD1-CA 3.31Å; D144-R152 WeakPolarHBondContact OD1-CA 3.22Å; G146-R152 VanDerWaalsContact O-CZ 3.3Å; G146-R152 PolarHBondContact O-NE 2.97Å; G146-R152 PolarHBondContact O-NH2 3.37Å; G148-R152 WeakPolarHBondContact O-CG 3.37Å; G148-R152 PolarHBondContact O-N 3.37Å; A149-R152 PolarHBondContact O-N 3Å; R152-F154 VanDerWaalsContact C-N 3.33Å
153E95.1Very high94.4Very high38 Ų3851 Ų5118%0.17831%0.311CS..SBendtrans-71.7-33.1176.5-169.8-179.6175.500111.7R140 D144 K163R140-E153 IonicContact CZ-OE1 2.7Å; R140-E153 IonicContact CZ-OE2 3.27Å; R140-E153 IonicContact NH1-OE2 3.95Å; R140-E153 PolarHBondContact NH1-OE2 3.07Å; R140-E153 IonicContact NH2-OE1 3.9Å; R140-E153 PolarHBondContact NH2-OE1 3.14Å; R140-E153 IonicContact NH2-OE2 3.07Å; R140-E153 PolarHBondContact NH2-OE2 2.93Å; D144-E153 VanDerWaalsContact CG-N 3.33Å; D144-E153 PolarHBondContact OD1-N 2.95Å; D144-E153 PolarHBondContact OD2-N 2.84Å; E153-K163 PolarHBondContact O-NZ 2.97Å
154F96.5Very high94.4Very high1 Ų151 Ų510%0.00431%0.311CS..  trans-130.2142.4-175.4-52.3-68.5000112.1R72 R140 L141 D144 R152 N159 C160 K163 I164R72-F154 PolarHBondContact NH2-O 3.44Å; R140-F154 HydrophobicContact CB-CD2 4.43Å; R140-F154 HydrophobicContact CB-CE2 3.82Å; R140-F154 HydrophobicContact CB-CZ 4.4Å; L141-F154 HydrophobicContact CD2-CB 3.75Å; L141-F154 HydrophobicContact CD2-CD2 4.48Å; L141-F154 HydrophobicContact CD2-CG 4.43Å; D144-F154 HydrophobicContact CB-CD2 4.27Å; D144-F154 PolarHBondContact OD2-N 3.24Å; R152-F154 VanDerWaalsContact C-N 3.33Å; F154-N159 VanDerWaalsContact CA-OD1 3.31Å; F154-N159 WeakPolarHBondContact CA-OD1 3.41Å; F154-C160 HydrophobicContact CB-CB 4.11Å; F154-C160 VanDerWaalsContact CD1-CA 3.42Å; F154-C160 HydrophobicContact CD1-CB 3.76Å; F154-C160 HydrophobicContact CD2-CB 4.39Å; F154-C160 HydrophobicContact CE1-CB 4.25Å; F154-C160 HydrophobicContact CG-CB 3.81Å; F154-K163 HydrophobicContact CD1-CD 4.1Å; F154-K163 HydrophobicContact CE1-CB 4.35Å; F154-K163 HydrophobicContact CE1-CD 4Å; F154-K163 HydrophobicContact CE1-CG 4.43Å; F154-I164 HydrophobicContact CE1-CD1 4.26Å; F154-I164 HydrophobicContact CE1-CG1 4.13Å; F154-I164 HydrophobicContact CZ-CD1 4.11Å; F154-I164 HydrophobicContact CZ-CG1 4.21Å
155T95.5Very high94.5Very high103 Ų10356.4 Ų56.463%0.63233%0.334SS*.SBendtrans-82.4-2717458.50000112.4N159T155-N159 PolarHBondContact N-OD1 2.86Å; T155-N159 WeakPolarHBondContact OG1-CB 3.5Å; T155-N159 VanDerWaalsContact OG1-CG 3.27Å
156G95.6Very high94.6Very high23 Ų2363.8 Ų63.824%0.23737%0.365CS..SBendtrans179.1-168.6-179.500000112.9N159 C160G156-N159 PolarHBondContact O-N 3.4Å; G156-C160 WeakPolarHBondContact O-CB 3.42Å; G156-C160 PolarHBondContact O-N 2.87Å
157L97.2Very high94.8Very high30 Ų3065.8 Ų65.816%0.15738%0.378CS..Hα-helixtrans-58.3-55.2-176.3175.256000113.1A76 I79 L134 A137 L141 N159 C160 I161A76-L157 HydrophobicContact CB-CD1 3.91Å; A76-L157 HydrophobicContact CB-CD2 4.22Å; I79-L157 HydrophobicContact CD1-CD2 3.83Å; L134-L157 HydrophobicContact CD2-CD1 4.28Å; L134-L157 HydrophobicContact CD2-CD2 4.08Å; A137-L157 HydrophobicContact CB-CD1 3.34Å; L141-L157 HydrophobicContact CD1-CB 4.33Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 2.92Å; L157-C160 WeakPolarHBondContact O-CB 3.18Å; L157-C160 PolarHBondContact O-N 2.91Å; L157-I161 HydrophobicContact CD1-CD1 3.69Å; L157-I161 HydrophobicContact CD1-CG1 4.18Å; L157-I161 HydrophobicContact CG-CD1 4.27Å; L157-I161 PolarHBondContact O-N 3.49Å
158G97.7Very high95.2Very high47 Ų4761.9 Ų61.949%0.48536%0.363SS..Hα-helixtrans-61.1-40.8-179.200000112.5T162G158-T162 VanDerWaalsContact O-CB 3.26Å; G158-T162 WeakPolarHBondContact O-CB 3.22Å; G158-T162 PolarHBondContact O-N 3.38Å; G158-T162 PolarHBondContact O-OG1 3.02Å
159N97.8Very high95.8Very high61 Ų6161.5 Ų61.533%0.32636%0.359SS..Hα-helixtrans-64-42175.4176.4-99.1000112.2F154 T155 G156 L157 T162 K163F154-N159 VanDerWaalsContact CA-OD1 3.31Å; F154-N159 WeakPolarHBondContact CA-OD1 3.41Å; T155-N159 PolarHBondContact N-OD1 2.86Å; T155-N159 WeakPolarHBondContact OG1-CB 3.5Å; T155-N159 VanDerWaalsContact OG1-CG 3.27Å; G156-N159 PolarHBondContact O-N 3.4Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 2.92Å; N159-T162 PolarHBondContact O-N 3.35Å; N159-K163 WeakPolarHBondContact O-CB 3.38Å; N159-K163 PolarHBondContact O-N 3.41Å
160C98.1Very high96.4Very high0 Ų062.9 Ų62.90%036%0.355CS..Hα-helixtrans-60-51.2176.7-1770000112.1A137 L141 F154 G156 L157 I164A137-C160 HydrophobicContact CB-CB 4.5Å; L141-C160 HydrophobicContact CD2-CB 4.26Å; L141-C160 HydrophobicContact CG-CB 4.34Å; F154-C160 HydrophobicContact CB-CB 4.11Å; F154-C160 VanDerWaalsContact CD1-CA 3.42Å; F154-C160 HydrophobicContact CD1-CB 3.76Å; F154-C160 HydrophobicContact CD2-CB 4.39Å; F154-C160 HydrophobicContact CE1-CB 4.25Å; F154-C160 HydrophobicContact CG-CB 3.81Å; G156-C160 WeakPolarHBondContact O-CB 3.42Å; G156-C160 PolarHBondContact O-N 2.87Å; L157-C160 WeakPolarHBondContact O-CB 3.18Å; L157-C160 PolarHBondContact O-N 2.91Å; C160-I164 WeakPolarHBondContact O-CG1 3.26Å; C160-I164 PolarHBondContact O-N 2.96Å; C160-I164 VanDerWaalsContact O-N 3.15Å
161I98.3Very high96.7Very high44 Ų4467.7 Ų67.723%0.22635%0.351CS..Hα-helixtrans-61.7-48.4178.9-66.7173.1000110.4A137 L157 I164 F165 L173A137-I161 HydrophobicContact CB-CD1 4.43Å; A137-I161 HydrophobicContact CB-CG1 4.01Å; L157-I161 HydrophobicContact CD1-CD1 3.69Å; L157-I161 HydrophobicContact CD1-CG1 4.18Å; L157-I161 HydrophobicContact CG-CD1 4.27Å; L157-I161 PolarHBondContact O-N 3.49Å; I161-I164 PolarHBondContact O-N 3.43Å; I161-F165 VanDerWaalsContact O-CB 3.25Å; I161-F165 WeakPolarHBondContact O-CB 3.28Å; I161-F165 PolarHBondContact O-N 3.12Å; I161-L173 HydrophobicContact CG2-CD1 4.03Å; I161-L173 HydrophobicContact CG2-CD2 4.33Å
162T98.5Very high97Very high69 Ų6962.1 Ų62.142%0.42333%0.326SS..Hα-helixtrans-64.2-45.2-177-56.20000111.9G158 N159 F165 K166G158-T162 VanDerWaalsContact O-CB 3.26Å; G158-T162 WeakPolarHBondContact O-CB 3.22Å; G158-T162 PolarHBondContact O-N 3.38Å; G158-T162 PolarHBondContact O-OG1 3.02Å; N159-T162 PolarHBondContact O-N 3.35Å; T162-F165 PolarHBondContact O-N 3.26Å; T162-K166 HydrophobicContact CG2-CD 4.13Å; T162-K166 HydrophobicContact CG2-CG 4.47Å; T162-K166 WeakPolarHBondContact O-CB 3.31Å; T162-K166 VanDerWaalsContact O-CG 3.31Å; T162-K166 WeakPolarHBondContact O-CG 3.21Å; T162-K166 PolarHBondContact O-N 3.17Å
163K98.1Very high97.2Very high95 Ų9559.4 Ų59.441%0.41332%0.316SS..Hα-helixtrans-63.4-44.2-178.3-176.4171.7173.2179.60111.1E153 F154 N159 K166 S167E153-K163 PolarHBondContact O-NZ 2.97Å; F154-K163 HydrophobicContact CD1-CD 4.1Å; F154-K163 HydrophobicContact CE1-CB 4.35Å; F154-K163 HydrophobicContact CE1-CD 4Å; F154-K163 HydrophobicContact CE1-CG 4.43Å; N159-K163 WeakPolarHBondContact O-CB 3.38Å; N159-K163 PolarHBondContact O-N 3.41Å; K163-K166 PolarHBondContact O-N 3.1Å; K163-S167 PolarHBondContact O-N 2.61Å; K163-S167 VanDerWaalsContact O-N 3.07Å; K163-S167 PolarHBondContact O-OG 3.35Å
164I98.2Very high97.3Very high1 Ų160.4 Ų60.41%0.00532%0.319CS..Hα-helixtrans-71.2-40.5178.3-63.7-61.6000111.8F136 F154 C160 I161 K166 S167 D168 L173F136-I164 HydrophobicContact CE1-CB 4.17Å; F136-I164 HydrophobicContact CE1-CG1 3.87Å; F136-I164 HydrophobicContact CE1-CG2 3.94Å; F136-I164 HydrophobicContact CZ-CB 4.38Å; F136-I164 HydrophobicContact CZ-CD1 4.49Å; F136-I164 HydrophobicContact CZ-CG1 4.01Å; F136-I164 HydrophobicContact CZ-CG2 3.8Å; F154-I164 HydrophobicContact CE1-CD1 4.26Å; F154-I164 HydrophobicContact CE1-CG1 4.13Å; F154-I164 HydrophobicContact CZ-CD1 4.11Å; F154-I164 HydrophobicContact CZ-CG1 4.21Å; C160-I164 WeakPolarHBondContact O-CG1 3.26Å; C160-I164 PolarHBondContact O-N 2.96Å; C160-I164 VanDerWaalsContact O-N 3.15Å; I161-I164 PolarHBondContact O-N 3.43Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 2.91Å; I164-S167 PolarHBondContact O-N 3.2Å; I164-S167 PolarHBondContact O-OG 3.27Å; I164-D168 PolarHBondContact O-N 3.34Å; I164-L173 HydrophobicContact CB-CD2 3.99Å; I164-L173 HydrophobicContact CG2-CD2 3.79Å; I164-L173 HydrophobicContact CG2-CG 4.32Å
165F98.2Very high97.4Very high112 Ų11262.4 Ų62.449%0.49133%0.328SS..Hα-helixtrans-61.4-40.2175.3-174.2-98.8000111.8I161 T162 G169 L170 L173I161-F165 VanDerWaalsContact O-CB 3.25Å; I161-F165 WeakPolarHBondContact O-CB 3.28Å; I161-F165 PolarHBondContact O-N 3.12Å; T162-F165 PolarHBondContact O-N 3.26Å; F165-G169 WeakPolarHBondContact O-CA 3.33Å; F165-G169 PolarHBondContact O-N 3Å; F165-L170 HydrophobicContact CE2-CB 4.14Å; F165-L170 HydrophobicContact CE2-CD1 4.43Å; F165-L173 HydrophobicContact CB-CD1 4.19Å; F165-L173 HydrophobicContact CD2-CD1 4.01Å
166K98Very high97.4Very high173 Ų17357.9 Ų57.975%0.75230%0.301SS*.Hα-helixtrans-67.9-33.4175.6-74.6-178.1177.6-172.20113.2T162 K163 I164T162-K166 HydrophobicContact CG2-CD 4.13Å; T162-K166 HydrophobicContact CG2-CG 4.47Å; T162-K166 WeakPolarHBondContact O-CB 3.31Å; T162-K166 VanDerWaalsContact O-CG 3.31Å; T162-K166 WeakPolarHBondContact O-CG 3.21Å; T162-K166 PolarHBondContact O-N 3.17Å; K163-K166 PolarHBondContact O-N 3.1Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 2.91Å
167S96.7Very high97.5Very high49 Ų4958.5 Ų58.534%0.34330%0.298SS..Hα-helixtrans-84.3-38.7-177.469.60000113.5K163 I164K163-S167 PolarHBondContact O-N 2.61Å; K163-S167 VanDerWaalsContact O-N 3.07Å; K163-S167 PolarHBondContact O-OG 3.35Å; I164-S167 PolarHBondContact O-N 3.2Å; I164-S167 PolarHBondContact O-OG 3.27Å
168D96.5Very high97.5Very high50 Ų5062.3 Ų62.327%0.26732%0.318SS..Hα-helixtrans-128.5-1.8-165.9-64.728.8000112.9I164 G172 S242 G243I164-D168 PolarHBondContact O-N 3.34Å; D168-G172 PolarHBondContact O-N 3.42Å; D168-S242 WeakPolarHBondContact OD2-CA 2.9Å; D168-S242 WeakPolarHBondContact OD2-CB 3.25Å; D168-G243 PolarHBondContact OD1-N 3.08Å; D168-G243 PolarHBondContact OD2-N 2.91Å
169G97.1Very high97.5Very high27 Ų2760 Ų6028%0.27830%0.295SS..Hα-helixtrans66.9-162.9-174.800000113.5F165 R171 G172F165-G169 WeakPolarHBondContact O-CA 3.33Å; F165-G169 PolarHBondContact O-N 3Å; G169-R171 VanDerWaalsContact C-N 3.28Å; G169-R171 PolarHBondContact O-N 3.11Å; G169-G172 PolarHBondContact O-N 3.32Å
170L96.7Very high97.4Very high107 Ų10757.5 Ų57.556%0.5628%0.282SS*.Hα-helixtrans-61.6-37.3178.8-170.463.7000111.9F165 G172 L173 Y174F165-L170 HydrophobicContact CE2-CB 4.14Å; F165-L170 HydrophobicContact CE2-CD1 4.43Å; L170-G172 PolarHBondContact O-N 2.85Å; L170-L173 PolarHBondContact O-N 2.96Å; L170-L173 VanDerWaalsContact O-N 3.1Å; L170-Y174 HydrophobicContact CD1-CD2 4.1Å; L170-Y174 HydrophobicContact CD1-CE2 3.68Å; L170-Y174 HydrophobicContact CG-CD2 4.19Å; L170-Y174 HydrophobicContact CG-CE2 4.15Å; L170-Y174 WeakPolarHBondContact O-CD2 3.38Å; L170-Y174 PolarHBondContact O-N 2.99Å
171R95.7Very high97.4Very high207 Ų20758.9 Ų58.978%0.78129%0.29SS*.Hα-helixtrans-56.7-39.6178.8-175.2178.7176.5178.6-0.6111.9G169 L173 Y174 Q175G169-R171 VanDerWaalsContact C-N 3.28Å; G169-R171 PolarHBondContact O-N 3.11Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-L173 PolarHBondContact O-N 3.49Å; R171-Y174 CarbonylContact O-C 3.57Å; R171-Y174 PolarHBondContact O-N 2.79Å; R171-Y174 VanDerWaalsContact O-N 3.15Å; R171-Q175 PolarHBondContact O-N 2.89Å
172G96.7Very high97.3Very high4 Ų461.1 Ų61.14%0.04130%0.3CS..Hα-helixtrans-60.4-38.2177.500000113.7F136 D168 G169 L170 Y174 S242F136-G172 WeakPolarHBondContact CE2-O 3.43Å; D168-G172 PolarHBondContact O-N 3.42Å; G169-G172 PolarHBondContact O-N 3.32Å; L170-G172 PolarHBondContact O-N 2.85Å; G172-Y174 VanDerWaalsContact C-N 3.28Å; G172-Y174 PolarHBondContact O-N 3.45Å; G172-S242 WeakPolarHBondContact O-CB 3.37Å; G172-S242 PolarHBondContact O-OG 3.37Å
173L98.1Very high97.3Very high7 Ų758.3 Ų58.34%0.03728%0.284CS..Hα-helixtrans-71.4-21.5177.7-65.3176.6000113.2Y132 F136 I161 I164 F165 L170 R171Y132-L173 WeakPolarHBondContact CD1-O 3.23Å; F136-L173 HydrophobicContact CD1-CD2 3.98Å; F136-L173 HydrophobicContact CE1-CD2 4.01Å; I161-L173 HydrophobicContact CG2-CD1 4.03Å; I161-L173 HydrophobicContact CG2-CD2 4.33Å; I164-L173 HydrophobicContact CB-CD2 3.99Å; I164-L173 HydrophobicContact CG2-CD2 3.79Å; I164-L173 HydrophobicContact CG2-CG 4.32Å; F165-L173 HydrophobicContact CB-CD1 4.19Å; F165-L173 HydrophobicContact CD2-CD1 4.01Å; L170-L173 PolarHBondContact O-N 2.96Å; L170-L173 VanDerWaalsContact O-N 3.1Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-L173 PolarHBondContact O-N 3.49Å
174Y98.2Very high97.2Very high59 Ų5956.1 Ų56.123%0.23128%0.277CS..THydrogen-bonded Turntrans-104.914.9-179-74.6-101.8000113.2C129 Y132 P133 L170 R171 G172 G176 F177C129-Y174 PolarHBondContact O-OH 2.85Å; Y132-Y174 HydrophobicContact CD1-CD1 4.29Å; Y132-Y174 HydrophobicContact CD1-CG 4.44Å; Y132-Y174 HydrophobicContact CG-CD1 4.2Å; P133-Y174 HydrophobicContact CG-CE2 3.8Å; L170-Y174 HydrophobicContact CD1-CD2 4.1Å; L170-Y174 HydrophobicContact CD1-CE2 3.68Å; L170-Y174 HydrophobicContact CG-CD2 4.19Å; L170-Y174 HydrophobicContact CG-CE2 4.15Å; L170-Y174 WeakPolarHBondContact O-CD2 3.38Å; L170-Y174 PolarHBondContact O-N 2.99Å; R171-Y174 CarbonylContact O-C 3.57Å; R171-Y174 PolarHBondContact O-N 2.79Å; R171-Y174 VanDerWaalsContact O-N 3.15Å; G172-Y174 VanDerWaalsContact C-N 3.28Å; G172-Y174 PolarHBondContact O-N 3.45Å; Y174-G176 PolarHBondContact O-N 3.44Å; Y174-F177 AromaticContact CD1-CD2 3.71Å; Y174-F177 HydrophobicContact CD1-CD2 3.71Å; Y174-F177 HydrophobicContact CD1-CE2 4.22Å; Y174-F177 HydrophobicContact CD1-CG 4.32Å; Y174-F177 HydrophobicContact CE1-CD2 4.31Å; Y174-F177 HydrophobicContact CE1-CE2 4.42Å; Y174-F177 WeakPolarHBondContact O-CB 3.15Å; Y174-F177 PolarHBondContact O-N 2.98Å
175Q97.6Very high97.1Very high43 Ų4359.1 Ų59.120%0.20129%0.292CS..THydrogen-bonded Turntrans-63.3122.8-179.3-166.269.4-17.100111.2Y132 R171 M238 M239 S242Y132-Q175 PolarHBondContact OH-O 3.04Å; Y132-Q175 VanDerWaalsContact OH-O 3.11Å; R171-Q175 PolarHBondContact O-N 2.89Å; Q175-M238 HydrophobicContact CG-CB 4.34Å; Q175-M238 HydrophobicContact CG-CE 4.34Å; Q175-M238 WeakPolarHBondContact CG-O 3.41Å; Q175-M238 VanDerWaalsContact NE2-CE 3.33Å; Q175-M239 WeakPolarHBondContact O-CG 3.46Å; Q175-S242 VanDerWaalsContact CB-OG 3.3Å; Q175-S242 WeakPolarHBondContact CB-OG 3.41Å
176G97.3Very high97Very high7 Ų756.7 Ų56.77%0.07228%0.284CS..THydrogen-bonded Turntrans90.14.4-173.900000115Y132 Y174 N178 V179 S180Y132-G176 PolarHBondContact OH-O 3.46Å; Y174-G176 PolarHBondContact O-N 3.44Å; G176-N178 PolarHBondContact O-N 2.73Å; G176-V179 PolarHBondContact O-N 2.82Å; G176-S180 PolarHBondContact O-N 2.97Å; G176-S180 VanDerWaalsContact O-N 3.17Å; G176-S180 PolarHBondContact O-OG 2.98Å
177F97.6Very high96.9Very high36 Ų3652.2 Ų52.216%0.15826%0.263CS..Hα-helixtrans-54.2-49.8-177.9-180-89.8000112.9L128 Y132 Y174 V179 S180 V181L128-F177 HydrophobicContact CB-CD2 4.13Å; L128-F177 HydrophobicContact CB-CE2 3.47Å; L128-F177 VanDerWaalsContact CB-CE2 3.47Å; L128-F177 HydrophobicContact CB-CZ 4.22Å; Y132-F177 AromaticContact CD2-CD2 3.69Å; Y132-F177 HydrophobicContact CD2-CD2 3.69Å; Y132-F177 HydrophobicContact CD2-CE2 4.44Å; Y132-F177 HydrophobicContact CE2-CB 4.22Å; Y132-F177 HydrophobicContact CE2-CD2 4.06Å; Y132-F177 HydrophobicContact CG-CD2 4.07Å; Y132-F177 PolarHBondContact OH-N 2.92Å; Y132-F177 VanDerWaalsContact OH-N 3.14Å; Y174-F177 AromaticContact CD1-CD2 3.71Å; Y174-F177 HydrophobicContact CD1-CD2 3.71Å; Y174-F177 HydrophobicContact CD1-CE2 4.22Å; Y174-F177 HydrophobicContact CD1-CG 4.32Å; Y174-F177 HydrophobicContact CE1-CD2 4.31Å; Y174-F177 HydrophobicContact CE1-CE2 4.42Å; Y174-F177 WeakPolarHBondContact O-CB 3.15Å; Y174-F177 PolarHBondContact O-N 2.98Å; F177-V179 VanDerWaalsContact C-N 3.33Å; F177-V179 PolarHBondContact O-N 2.77Å; F177-S180 WeakPolarHBondContact O-CA 3.48Å; F177-S180 WeakPolarHBondContact O-CB 3.35Å; F177-S180 PolarHBondContact O-N 3.41Å; F177-S180 PolarHBondContact O-OG 3.49Å; F177-V181 HydrophobicContact CD1-CG2 4.16Å; F177-V181 HydrophobicContact CE1-CG2 3.72Å; F177-V181 HydrophobicContact CZ-CG2 4.05Å; F177-V181 PolarHBondContact O-N 2.9Å; F177-V181 VanDerWaalsContact O-N 3.1Å
178N95.9Very high96.8Very high110 Ų11054.3 Ų54.359%0.58826%0.263SS*.Hα-helixtrans-59.1-41.9-178-64.8-8.2000112.7G176 S180 V181 Q182G176-N178 PolarHBondContact O-N 2.73Å; N178-S180 PolarHBondContact O-N 3.35Å; N178-V181 PolarHBondContact O-N 2.99Å; N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.43Å; N178-Q182 VanDerWaalsContact O-N 3.08Å
179V97.4Very high96.7Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-63.7-31.7176.2-1720000111.1G176 F177 G183 F231 V234 R235 T254G176-V179 PolarHBondContact O-N 2.82Å; F177-V179 VanDerWaalsContact C-N 3.33Å; F177-V179 PolarHBondContact O-N 2.77Å; V179-G183 PolarHBondContact O-N 2.92Å; V179-F231 HydrophobicContact CG1-CB 4.09Å; V179-F231 HydrophobicContact CG1-CD1 4.01Å; V179-F231 VanDerWaalsContact CG1-O 3.28Å; V179-F231 WeakPolarHBondContact CG1-O 3.27Å; V179-V234 HydrophobicContact CG1-CB 4.14Å; V179-V234 HydrophobicContact CG1-CG1 4.12Å; V179-V234 HydrophobicContact CG2-CG1 4.19Å; V179-R235 HydrophobicContact CB-CB 4.45Å; V179-R235 HydrophobicContact CG1-CB 4.33Å; V179-T254 HydrophobicContact CG2-CG2 3.25Å; V179-T254 WeakPolarHBondContact CG2-OG1 3.41Å
180S97.3Very high96.7Very high7 Ų752.8 Ų52.85%0.04926%0.255CS..Hα-helixtrans-69.1-42.8179.2-43.40000111.1Y132 G176 F177 N178 G183 I184 R235Y132-S180 VanDerWaalsContact CE2-OG 3.24Å; Y132-S180 WeakPolarHBondContact CE2-OG 3.48Å; Y132-S180 PolarHBondContact OH-OG 2.84Å; Y132-S180 VanDerWaalsContact OH-OG 3.04Å; G176-S180 PolarHBondContact O-N 2.97Å; G176-S180 VanDerWaalsContact O-N 3.17Å; G176-S180 PolarHBondContact O-OG 2.98Å; F177-S180 WeakPolarHBondContact O-CA 3.48Å; F177-S180 WeakPolarHBondContact O-CB 3.35Å; F177-S180 PolarHBondContact O-N 3.41Å; F177-S180 PolarHBondContact O-OG 3.49Å; N178-S180 PolarHBondContact O-N 3.35Å; S180-G183 PolarHBondContact O-N 3.32Å; S180-I184 WeakPolarHBondContact O-CG1 2.99Å; S180-I184 PolarHBondContact O-N 3.4Å; S180-R235 WeakPolarHBondContact OG-CD 3.38Å; S180-R235 VanDerWaalsContact OG-CG 3.26Å; S180-R235 WeakPolarHBondContact OG-CG 3.49Å; S180-R235 PolarHBondContact OG-NE 3.4Å
181V96.8Very high96.5Very high29 Ų2951.2 Ų51.218%0.17624%0.242CC..Hα-helixtrans-63.7-45.8175.71790000110.7A125 L128 F177 N178 G183 I184 I185A125-V181 HydrophobicContact CB-CG1 4.09Å; A125-V181 HydrophobicContact CB-CG2 3.89Å; L128-V181 HydrophobicContact CD1-CG2 4.28Å; F177-V181 HydrophobicContact CD1-CG2 4.16Å; F177-V181 HydrophobicContact CE1-CG2 3.72Å; F177-V181 HydrophobicContact CZ-CG2 4.05Å; F177-V181 PolarHBondContact O-N 2.9Å; F177-V181 VanDerWaalsContact O-N 3.1Å; N178-V181 PolarHBondContact O-N 2.99Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-G183 PolarHBondContact O-N 3Å; V181-I184 PolarHBondContact O-N 2.97Å; V181-I185 HydrophobicContact CG1-CD1 4.41Å; V181-I185 PolarHBondContact O-N 2.98Å
182Q97.1Very high96.3Very high91 Ų9142.8 Ų42.843%0.42521%0.211SC..Hα-helixtrans-58.4-47174.6-67.2169.821.900111.4N178 I184 I185 I186 F231N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.43Å; N178-Q182 VanDerWaalsContact O-N 3.08Å; Q182-I184 VanDerWaalsContact C-N 3.28Å; Q182-I184 PolarHBondContact O-N 2.65Å; Q182-I185 PolarHBondContact O-N 3.32Å; Q182-I185 VanDerWaalsContact O-N 3.09Å; Q182-I186 WeakPolarHBondContact O-CG1 3.27Å; Q182-I186 PolarHBondContact O-N 3.14Å; Q182-F231 HydrophobicContact CB-CD1 3.88Å; Q182-F231 HydrophobicContact CB-CE1 3.81Å
183G97.8Very high95.8Very high10 Ų1044.2 Ų44.210%0.10323%0.225CC..Hα-helixtrans-58.3-36.4177.900000113.5V179 S180 V181 Y187V179-G183 PolarHBondContact O-N 2.92Å; S180-G183 PolarHBondContact O-N 3.32Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-G183 PolarHBondContact O-N 3Å; G183-Y187 VanDerWaalsContact O-CB 3.23Å; G183-Y187 WeakPolarHBondContact O-CB 3.38Å; G183-Y187 PolarHBondContact O-N 3.45Å
184I95.7Very high95.5Very high50 Ų5045.7 Ų45.726%0.25624%0.235SC..Hα-helixtrans-64.5-44.4174.8-70.3167.6000111.3L128 S180 V181 Q182 Y187 R188L128-I184 HydrophobicContact CD1-CD1 3.72Å; L128-I184 HydrophobicContact CG-CD1 4.28Å; S180-I184 WeakPolarHBondContact O-CG1 2.99Å; S180-I184 PolarHBondContact O-N 3.4Å; V181-I184 PolarHBondContact O-N 2.97Å; Q182-I184 VanDerWaalsContact C-N 3.28Å; Q182-I184 PolarHBondContact O-N 2.65Å; I184-Y187 PolarHBondContact O-N 3.45Å; I184-R188 WeakPolarHBondContact O-CB 3.47Å; I184-R188 PolarHBondContact O-N 3.14Å
185I96Very high95Very high63 Ų6346.3 Ų46.332%0.32324%0.237SC..Hα-helixtrans-64.1-46.8179.7-64.1167.4000110V181 Q182 R188 A189V181-I185 HydrophobicContact CG1-CD1 4.41Å; V181-I185 PolarHBondContact O-N 2.98Å; Q182-I185 PolarHBondContact O-N 3.32Å; Q182-I185 VanDerWaalsContact O-N 3.09Å; I185-R188 PolarHBondContact O-N 3.3Å; I185-A189 WeakPolarHBondContact O-CB 3.34Å; I185-A189 PolarHBondContact O-N 2.8Å
186I96.9Very high94.3Very high62 Ų6246.2 Ų46.232%0.31824%0.238SC..Hα-helixtrans-63.6-45.7178.1-62.8-58.6000111.3Q182 R188 A189 A190 V227 F231Q182-I186 WeakPolarHBondContact O-CG1 3.27Å; Q182-I186 PolarHBondContact O-N 3.14Å; I186-R188 VanDerWaalsContact C-N 3.27Å; I186-R188 PolarHBondContact O-N 3.28Å; I186-A189 PolarHBondContact O-N 3.09Å; I186-A190 WeakPolarHBondContact O-CB 3.46Å; I186-A190 PolarHBondContact O-N 3.46Å; I186-V227 HydrophobicContact CG2-CG1 4.03Å; I186-F231 HydrophobicContact CB-CE2 4.39Å; I186-F231 HydrophobicContact CG1-CE2 3.91Å; I186-F231 HydrophobicContact CG1-CZ 3.93Å; I186-F231 HydrophobicContact CG2-CE2 4.26Å
187Y96.7Very high93.8Very high78 Ų7850.1 Ų50.131%0.30626%0.261SS..Hα-helixtrans-55.9-45.9175.1175.7-91.7000110.8G183 I184 A190 Y191 A224 S228G183-Y187 VanDerWaalsContact O-CB 3.23Å; G183-Y187 WeakPolarHBondContact O-CB 3.38Å; G183-Y187 PolarHBondContact O-N 3.45Å; I184-Y187 PolarHBondContact O-N 3.45Å; Y187-A190 PolarHBondContact O-N 3.36Å; Y187-Y191 HydrophobicContact CE1-CD2 4.15Å; Y187-Y191 VanDerWaalsContact O-CB 3.23Å; Y187-Y191 WeakPolarHBondContact O-CB 3.46Å; Y187-Y191 PolarHBondContact O-N 3.02Å; Y187-A224 HydrophobicContact CD2-CB 3.91Å; Y187-A224 HydrophobicContact CE2-CB 3.75Å; Y187-S228 WeakPolarHBondContact CD2-OG 3.4Å
188R93.7Very high93.2Very high94 Ų9449.5 Ų49.536%0.35526%0.262SS..Hα-helixtrans-68.4-40-178.4-174.5173.8-100.9-115.7-6.5112.5N116 L117 I184 I185 I186 Y191 F192N116-R188 WeakPolarHBondContact O-CD 3.49Å; N116-R188 PolarHBondContact O-NH1 3.38Å; L117-R188 HydrophobicContact CD2-CB 4.12Å; L117-R188 HydrophobicContact CD2-CG 3.89Å; I184-R188 WeakPolarHBondContact O-CB 3.47Å; I184-R188 PolarHBondContact O-N 3.14Å; I185-R188 PolarHBondContact O-N 3.3Å; I186-R188 VanDerWaalsContact C-N 3.27Å; I186-R188 PolarHBondContact O-N 3.28Å; R188-Y191 PolarHBondContact O-N 2.87Å; R188-F192 WeakPolarHBondContact O-CB 3.37Å; R188-F192 PolarHBondContact O-N 3.5Å
189A94.9Very high92.4Very high27 Ų2747.9 Ų47.922%0.22325%0.25CC..Hα-helixtrans-62.2-47.9175.100000111.5F113 L117 I185 I186 F192 G193F113-A189 HydrophobicContact CZ-CB 4.13Å; L117-A189 HydrophobicContact CD1-CB 4.03Å; L117-A189 HydrophobicContact CD2-CB 3.82Å; I185-A189 WeakPolarHBondContact O-CB 3.34Å; I185-A189 PolarHBondContact O-N 2.8Å; I186-A189 PolarHBondContact O-N 3.09Å; A189-F192 PolarHBondContact O-N 3.28Å; A189-G193 PolarHBondContact O-N 3.06Å
190A95.9Very high91.6Very high17 Ų1751.1 Ų51.114%0.1428%0.283CS..Hα-helixtrans-62.9-44.5176.300000111.7I186 Y187 F192 G193 V194 A224 V227I186-A190 WeakPolarHBondContact O-CB 3.46Å; I186-A190 PolarHBondContact O-N 3.46Å; Y187-A190 PolarHBondContact O-N 3.36Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.06Å; A190-G193 PolarHBondContact O-N 2.87Å; A190-V194 WeakPolarHBondContact O-CB 3.49Å; A190-V194 VanDerWaalsContact O-CG2 3.23Å; A190-V194 WeakPolarHBondContact O-CG2 3.45Å; A190-V194 PolarHBondContact O-N 2.86Å; A190-A224 HydrophobicContact CB-CB 4.06Å; A190-V227 HydrophobicContact CB-CB 3.98Å; A190-V227 HydrophobicContact CB-CG1 3.88Å; A190-V227 HydrophobicContact CB-CG2 4.37Å
191Y94.1Very high91Very high75 Ų7558 Ų5829%0.29432%0.316SS..Hα-helixtrans-57.4-47.7177.2-171.8-76.5000111.1Y187 R188 Y195 V220 A224Y187-Y191 HydrophobicContact CE1-CD2 4.15Å; Y187-Y191 VanDerWaalsContact O-CB 3.23Å; Y187-Y191 WeakPolarHBondContact O-CB 3.46Å; Y187-Y191 PolarHBondContact O-N 3.02Å; R188-Y191 PolarHBondContact O-N 2.87Å; Y191-Y195 HydrophobicContact CE1-CD2 4.33Å; Y191-Y195 HydrophobicContact CE1-CG 4.4Å; Y191-Y195 WeakPolarHBondContact O-CB 3.36Å; Y191-Y195 PolarHBondContact O-N 3.45Å; Y191-V220 HydrophobicContact CD1-CG1 3.98Å; Y191-V220 HydrophobicContact CD2-CG1 3.58Å; Y191-V220 HydrophobicContact CE1-CG1 3.96Å; Y191-V220 HydrophobicContact CE2-CB 4.48Å; Y191-V220 HydrophobicContact CE2-CG1 3.57Å; Y191-V220 HydrophobicContact CG-CG1 3.78Å; Y191-V220 WeakPolarHBondContact O-CG1 3.13Å; Y191-A224 HydrophobicContact CD2-CB 4.33Å
192F89.6Confident90.3Very high30 Ų3058.4 Ų58.413%0.13232%0.317CS..Hα-helixtrans-62.4-49179.6-173-85.1000111.8F109 Y112 F113 R188 A189 A190 V194 Y195 D196F109-F192 AromaticContact CE2-CE1 3.76Å; F109-F192 HydrophobicContact CE2-CE1 3.76Å; F109-F192 HydrophobicContact CE2-CZ 4.02Å; F109-F192 AromaticContact CZ-CE1 3.76Å; F109-F192 HydrophobicContact CZ-CE1 3.76Å; F109-F192 HydrophobicContact CZ-CZ 4.45Å; Y112-F192 HydrophobicContact CD1-CE2 4.5Å; Y112-F192 HydrophobicContact CD1-CZ 4.39Å; Y112-F192 AromaticContact CE1-CE2 4Å; Y112-F192 HydrophobicContact CE1-CE2 4Å; Y112-F192 HydrophobicContact CE1-CZ 4.25Å; F113-F192 HydrophobicContact CD2-CB 4.39Å; F113-F192 AromaticContact CD2-CD1 3.32Å; F113-F192 HydrophobicContact CD2-CD1 3.32Å; F113-F192 HydrophobicContact CD2-CD2 4.48Å; F113-F192 AromaticContact CD2-CE1 3.58Å; F113-F192 HydrophobicContact CD2-CE1 3.58Å; F113-F192 AromaticContact CD2-CG 3.81Å; F113-F192 HydrophobicContact CD2-CG 3.81Å; F113-F192 HydrophobicContact CD2-CZ 4.27Å; F113-F192 HydrophobicContact CE2-CB 3.97Å; F113-F192 AromaticContact CE2-CD1 3.48Å; F113-F192 HydrophobicContact CE2-CD1 3.48Å; F113-F192 VanDerWaalsContact CE2-CD1 3.48Å; F113-F192 HydrophobicContact CE2-CE1 4.19Å; F113-F192 AromaticContact CE2-CG 3.86Å; F113-F192 HydrophobicContact CE2-CG 3.86Å; R188-F192 WeakPolarHBondContact O-CB 3.37Å; R188-F192 PolarHBondContact O-N 3.5Å; A189-F192 PolarHBondContact O-N 3.28Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.06Å; F192-V194 PolarHBondContact O-N 3.32Å; F192-Y195 PolarHBondContact O-N 3.23Å; F192-D196 WeakPolarHBondContact CE1-OD2 3.19Å; F192-D196 WeakPolarHBondContact CZ-OD2 3.45Å; F192-D196 WeakPolarHBondContact O-CB 3.36Å; F192-D196 PolarHBondContact O-N 3.45Å
193G88Confident89.6Confident33 Ų3360.6 Ų60.634%0.3434%0.339SS..Hα-helixtrans-58.9-50.1179.300000112.4A189 A190 Y195 D196 T197A189-G193 PolarHBondContact O-N 3.06Å; A190-G193 PolarHBondContact O-N 2.87Å; G193-Y195 VanDerWaalsContact C-N 3.35Å; G193-Y195 PolarHBondContact O-N 3.11Å; G193-D196 PolarHBondContact O-N 3.4Å; G193-T197 PolarHBondContact O-N 3.38Å; G193-T197 PolarHBondContact O-OG1 2.96Å; G193-T197 VanDerWaalsContact O-OG1 3.06Å
194V90.5Very high88.9Confident39 Ų3963.3 Ų63.324%0.23635%0.352CS..Hα-helixtrans-67.5-36.9-179.3-176.70000111.3A190 F192 A198 V220 V223A190-V194 WeakPolarHBondContact O-CB 3.49Å; A190-V194 VanDerWaalsContact O-CG2 3.23Å; A190-V194 WeakPolarHBondContact O-CG2 3.45Å; A190-V194 PolarHBondContact O-N 2.86Å; F192-V194 PolarHBondContact O-N 3.32Å; V194-A198 VanDerWaalsContact O-CB 3.24Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.85Å; V194-V220 HydrophobicContact CB-CG1 4.4Å; V194-V220 HydrophobicContact CB-CG2 4.48Å; V194-V220 HydrophobicContact CG1-CB 4.32Å; V194-V220 HydrophobicContact CG1-CG2 3.93Å; V194-V223 HydrophobicContact CG1-CB 4.32Å; V194-V223 HydrophobicContact CG1-CG1 4.47Å; V194-V223 HydrophobicContact CG2-CB 4.22Å; V194-V223 HydrophobicContact CG2-CG1 3.65Å
195Y87.5Confident88Confident71 Ų7163.8 Ų63.828%0.27836%0.358SS..Hα-helixtrans-65.9-46.4178-175.6-99.7000112.5Y191 F192 G193 A198 K199 V220Y191-Y195 HydrophobicContact CE1-CD2 4.33Å; Y191-Y195 HydrophobicContact CE1-CG 4.4Å; Y191-Y195 WeakPolarHBondContact O-CB 3.36Å; Y191-Y195 PolarHBondContact O-N 3.45Å; F192-Y195 PolarHBondContact O-N 3.23Å; G193-Y195 VanDerWaalsContact C-N 3.35Å; G193-Y195 PolarHBondContact O-N 3.11Å; Y195-A198 PolarHBondContact O-N 3.36Å; Y195-K199 HydrophobicContact CD1-CD 4.33Å; Y195-K199 HydrophobicContact CE1-CD 3.58Å; Y195-K199 HydrophobicContact CE1-CG 4.24Å; Y195-K199 HydrophobicContact CE2-CD 4.46Å; Y195-K199 VanDerWaalsContact CZ-CE 3.42Å; Y195-K199 WeakPolarHBondContact O-CB 3.31Å; Y195-K199 PolarHBondContact O-N 2.98Å; Y195-K199 WeakPolarHBondContact OH-CE 3.25Å; Y195-K199 PolarHBondContact OH-NZ 2.9Å; Y195-V220 HydrophobicContact CD2-CG2 4.27Å
196D84.4Confident87.1Confident41 Ų4169.9 Ų69.922%0.21938%0.382CS..Hα-helixtrans-66.4-39.6179.5-83.42.7000110.7R105 F192 G193 G200R105-D196 IonicContact NH2-OD1 3.44Å; R105-D196 PolarHBondContact NH2-OD1 3.46Å; R105-D196 VanDerWaalsContact NH2-OD1 3.11Å; R105-D196 IonicContact NH2-OD2 2.61Å; R105-D196 PolarHBondContact NH2-OD2 2.94Å; F192-D196 WeakPolarHBondContact CE1-OD2 3.19Å; F192-D196 WeakPolarHBondContact CZ-OD2 3.45Å; F192-D196 WeakPolarHBondContact O-CB 3.36Å; F192-D196 PolarHBondContact O-N 3.45Å; G193-D196 PolarHBondContact O-N 3.4Å; D196-G200 PolarHBondContact O-N 3.48Å
197T85.9Confident86.4Confident90 Ų9073.1 Ų73.155%0.55240%0.4SS*.Hα-helixtrans-60.9-50.3171-59.30000111.8G193 K199 G200 M201G193-T197 PolarHBondContact O-N 3.38Å; G193-T197 PolarHBondContact O-OG1 2.96Å; G193-T197 VanDerWaalsContact O-OG1 3.06Å; T197-K199 VanDerWaalsContact C-N 3.3Å; T197-K199 PolarHBondContact O-N 2.92Å; T197-G200 PolarHBondContact O-N 2.96Å; T197-M201 HydrophobicContact CG2-SD 4.19Å; T197-M201 WeakPolarHBondContact O-CG 3.28Å; T197-M201 PolarHBondContact O-N 2.9Å
198A84.6Confident85.5Confident23 Ų2371 Ų7119%0.1940%0.395CS..Hα-helixtrans-61.5-38.4-178.200000112.3V194 Y195 I216 V220V194-A198 VanDerWaalsContact O-CB 3.24Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.85Å; Y195-A198 PolarHBondContact O-N 3.36Å; A198-I216 HydrophobicContact CB-CG2 3.82Å; A198-V220 HydrophobicContact CB-CG2 4.32Å
199K80.1Confident84.9Confident75 Ų7572.1 Ų72.133%0.32640%0.404SS..Hα-helixtrans-71-37.7174.5-85.1-161.6159.8-179.50113.4Y195 T197 M201 L202Y195-K199 HydrophobicContact CD1-CD 4.33Å; Y195-K199 HydrophobicContact CE1-CD 3.58Å; Y195-K199 HydrophobicContact CE1-CG 4.24Å; Y195-K199 HydrophobicContact CE2-CD 4.46Å; Y195-K199 VanDerWaalsContact CZ-CE 3.42Å; Y195-K199 WeakPolarHBondContact O-CB 3.31Å; Y195-K199 PolarHBondContact O-N 2.98Å; Y195-K199 WeakPolarHBondContact OH-CE 3.25Å; Y195-K199 PolarHBondContact OH-NZ 2.9Å; T197-K199 VanDerWaalsContact C-N 3.3Å; T197-K199 PolarHBondContact O-N 2.92Å; K199-M201 PolarHBondContact O-N 3.25Å; K199-L202 PolarHBondContact O-N 3.13Å; K199-L202 VanDerWaalsContact O-N 3.15Å
200G80.6Confident84.2Confident68 Ų6877.3 Ų77.370%0.70143%0.427SS*.Hα-helixtrans-65-21.5177.900000113.8D196 T197D196-G200 PolarHBondContact O-N 3.48Å; T197-G200 PolarHBondContact O-N 2.96Å
201M83.3Confident83.6Confident152 Ų15281.1 Ų81.175%0.74944%0.444SS*.THydrogen-bonded Turntrans-85-8.7176-65.2175.974.900113.7T197 K199T197-M201 HydrophobicContact CG2-SD 4.19Å; T197-M201 WeakPolarHBondContact O-CG 3.28Å; T197-M201 PolarHBondContact O-N 2.9Å; K199-M201 PolarHBondContact O-N 3.25Å
202L83.7Confident83.2Confident37 Ų3780 Ų8019%0.19444%0.444CS..  trans-83.2135.3-179.8-69.9168.3000110.9K199 D204 P205 V208 V212 I216K199-L202 PolarHBondContact O-N 3.13Å; K199-L202 VanDerWaalsContact O-N 3.15Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.32Å; L202-P205 HydrophobicContact CB-CG 4.26Å; L202-V208 HydrophobicContact CD1-CG1 4.34Å; L202-V208 HydrophobicContact CD1-CG2 3.59Å; L202-V212 HydrophobicContact CD2-CG1 4.27Å; L202-I216 HydrophobicContact CD1-CD1 3.4Å; L202-I216 VanDerWaalsContact CD1-CD1 3.4Å; L202-I216 HydrophobicContact CD2-CD1 3.99Å; L202-I216 HydrophobicContact CG-CD1 4.06Å
203P82.1Confident82.9Confident137 Ų13781.1 Ų81.189%0.8946%0.456SS*.SBendtrans-65.8-35.2178.725.1-32.9000112.5
204D83.8Confident82.7Confident68 Ų6884.5 Ų84.536%0.36446%0.459SS..  trans-134.995.3170.5-175.7-9.2000110.3L202 K206 N207 V208L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.32Å; D204-K206 PolarHBondContact O-N 3.3Å; D204-K206 VanDerWaalsContact O-N 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.47Å; D204-K206 PolarHBondContact OD1-N 3.13Å; D204-N207 PolarHBondContact O-N 2.95Å; D204-N207 PolarHBondContact OD1-N 2.95Å; D204-N207 WeakPolarHBondContact OD2-CB 3.43Å; D204-N207 PolarHBondContact OD2-ND2 3.07Å; D204-V208 VanDerWaalsContact O-CG2 3.25Å; D204-V208 WeakPolarHBondContact O-CG2 3.22Å
205P76.1Confident82.5Confident59 Ų5987 Ų8738%0.38347%0.469SS..SBendtrans-65.9-11.3179.8-22.233.1000115.2L202L202-P205 HydrophobicContact CB-CG 4.26Å
206K77.4Confident82.5Confident191 Ų19184.9 Ų84.983%0.8346%0.462SS*.SBendtrans-92.5-34.6-179.5-66.2-178.4-179.3176.50112.1D204D204-K206 PolarHBondContact O-N 3.3Å; D204-K206 VanDerWaalsContact O-N 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.47Å; D204-K206 PolarHBondContact OD1-N 3.13Å
207N81.1Confident82.6Confident131 Ų13184.6 Ų84.670%0.70147%0.466SS*.SBendtrans-110.453-177.3-61.6-52.6000112.8D204D204-N207 PolarHBondContact O-N 2.95Å; D204-N207 PolarHBondContact OD1-N 2.95Å; D204-N207 WeakPolarHBondContact OD2-CB 3.43Å; D204-N207 PolarHBondContact OD2-ND2 3.07Å
208V77.6Confident82.9Confident33 Ų3382 Ų8220%0.245%0.447CS..  trans-86.9125.6-178.7-175.20000110.3L202 D204 V212 S213L202-V208 HydrophobicContact CD1-CG1 4.34Å; L202-V208 HydrophobicContact CD1-CG2 3.59Å; D204-V208 VanDerWaalsContact O-CG2 3.25Å; D204-V208 WeakPolarHBondContact O-CG2 3.22Å; V208-V212 HydrophobicContact CG1-CB 3.66Å; V208-V212 HydrophobicContact CG1-CG1 3.57Å; V208-S213 WeakPolarHBondContact CB-OG 3.46Å; V208-S213 WeakPolarHBondContact CG1-OG 3.35Å
209H81.4Confident83.2Confident118 Ų11884.8 Ų84.855%0.54646%0.462SS..  trans-51.6141.3175-171.1-97.7000111.7I211 V212 S213H209-I211 VanDerWaalsContact C-N 3.26Å; H209-I211 PolarHBondContact ND1-N 2.96Å; H209-I211 PolarHBondContact O-N 2.95Å; H209-I211 VanDerWaalsContact O-N 3.15Å; H209-V212 HydrophobicContact CB-CG2 4.21Å; H209-V212 WeakPolarHBondContact O-CA 3.23Å; H209-V212 WeakPolarHBondContact O-CB 3.34Å; H209-V212 PolarHBondContact O-N 3.29Å; H209-S213 PolarHBondContact O-N 3.28Å
210I81.5Confident83.8Confident135 Ų13581.3 Ų81.369%0.69245%0.447SS*.Hα-helixtrans-54.5-40-173.2-169.8170.2000113V212 S213 W214I210-V212 PolarHBondContact O-N 2.94Å; I210-S213 PolarHBondContact O-N 3.26Å; I210-W214 WeakPolarHBondContact O-CB 3.47Å; I210-W214 PolarHBondContact O-N 3.2Å
211I83.3Confident84.4Confident98 Ų9880.4 Ų80.450%0.50343%0.428SS..Hα-helixtrans-64.7-40.9177.7-59.3176.9000110.8H209 W214 M215H209-I211 VanDerWaalsContact C-N 3.26Å; H209-I211 PolarHBondContact ND1-N 2.96Å; H209-I211 PolarHBondContact O-N 2.95Å; H209-I211 VanDerWaalsContact O-N 3.15Å; I211-W214 PolarHBondContact O-N 3.25Å; I211-M215 HydrophobicContact CG2-CE 4.26Å; I211-M215 VanDerWaalsContact O-CG 3.32Å; I211-M215 WeakPolarHBondContact O-CG 3.34Å; I211-M215 PolarHBondContact O-N 3Å
212V83.9Confident84.9Confident50 Ų5074.6 Ų74.630%0.30340%0.404SS..Hα-helixtrans-68.6-43.1179179.20000110.4L202 V208 H209 I210 W214 M215 I216L202-V212 HydrophobicContact CD2-CG1 4.27Å; V208-V212 HydrophobicContact CG1-CB 3.66Å; V208-V212 HydrophobicContact CG1-CG1 3.57Å; H209-V212 HydrophobicContact CB-CG2 4.21Å; H209-V212 WeakPolarHBondContact O-CA 3.23Å; H209-V212 WeakPolarHBondContact O-CB 3.34Å; H209-V212 PolarHBondContact O-N 3.29Å; I210-V212 PolarHBondContact O-N 2.94Å; V212-W214 VanDerWaalsContact C-N 3.31Å; V212-W214 PolarHBondContact O-N 2.77Å; V212-M215 HydrophobicContact CB-CE 4.41Å; V212-M215 HydrophobicContact CG2-CE 4.05Å; V212-M215 PolarHBondContact O-N 3.04Å; V212-I216 HydrophobicContact CG1-CD1 4.08Å; V212-I216 WeakPolarHBondContact O-CG1 3.49Å; V212-I216 PolarHBondContact O-N 3.3Å
213S83.6Confident85.5Confident55 Ų5575.4 Ų75.439%0.38541%0.411SS..Hα-helixtrans-58.8-42.3173.1-70.70000112V208 H209 I210 I216 A217V208-S213 WeakPolarHBondContact CB-OG 3.46Å; V208-S213 WeakPolarHBondContact CG1-OG 3.35Å; H209-S213 PolarHBondContact O-N 3.28Å; I210-S213 PolarHBondContact O-N 3.26Å; S213-I216 PolarHBondContact O-N 3.39Å; S213-A217 WeakPolarHBondContact O-CB 3.2Å; S213-A217 PolarHBondContact O-N 3.03Å
214W83.4Confident86.2Confident103 Ų10368.9 Ų68.939%0.3937%0.368SS..Hα-helixtrans-63.7-46.6175176.687.3000111.7I210 I211 V212 I216 A217 Q218I210-W214 WeakPolarHBondContact O-CB 3.47Å; I210-W214 PolarHBondContact O-N 3.2Å; I211-W214 PolarHBondContact O-N 3.25Å; V212-W214 VanDerWaalsContact C-N 3.31Å; V212-W214 PolarHBondContact O-N 2.77Å; W214-I216 VanDerWaalsContact C-N 3.34Å; W214-I216 PolarHBondContact O-N 3.38Å; W214-A217 PolarHBondContact O-N 3.22Å; W214-Q218 HydrophobicContact CD2-CG 3.97Å; W214-Q218 HydrophobicContact CE3-CG 4.39Å; W214-Q218 HydrophobicContact CG-CG 4.5Å; W214-Q218 HydrophobicContact CH2-CG 4.22Å; W214-Q218 HydrophobicContact CZ2-CG 3.78Å; W214-Q218 WeakPolarHBondContact O-CG 3.35Å; W214-Q218 PolarHBondContact O-N 3.11Å
215M86.3Confident86.8Confident91 Ų9166.1 Ų66.145%0.44836%0.356SS..Hα-helixtrans-60.3-41.8177-73.5-170.5-62.300112.2I211 V212 Q218 T219I211-M215 HydrophobicContact CG2-CE 4.26Å; I211-M215 VanDerWaalsContact O-CG 3.32Å; I211-M215 WeakPolarHBondContact O-CG 3.34Å; I211-M215 PolarHBondContact O-N 3Å; V212-M215 HydrophobicContact CB-CE 4.41Å; V212-M215 HydrophobicContact CG2-CE 4.05Å; V212-M215 PolarHBondContact O-N 3.04Å; M215-Q218 PolarHBondContact O-N 3.2Å; M215-T219 WeakPolarHBondContact O-CB 3.32Å; M215-T219 PolarHBondContact O-N 3.49Å; M215-T219 PolarHBondContact O-OG1 3.23Å
216I87.7Confident87.8Confident27 Ų2766.8 Ų66.814%0.13836%0.356CS..Hα-helixtrans-61.2-49.2174.2-71.2163000110.2A198 L202 V212 S213 W214 Q218 T219 V220A198-I216 HydrophobicContact CB-CG2 3.82Å; L202-I216 HydrophobicContact CD1-CD1 3.4Å; L202-I216 VanDerWaalsContact CD1-CD1 3.4Å; L202-I216 HydrophobicContact CD2-CD1 3.99Å; L202-I216 HydrophobicContact CG-CD1 4.06Å; V212-I216 HydrophobicContact CG1-CD1 4.08Å; V212-I216 WeakPolarHBondContact O-CG1 3.49Å; V212-I216 PolarHBondContact O-N 3.3Å; S213-I216 PolarHBondContact O-N 3.39Å; W214-I216 VanDerWaalsContact C-N 3.34Å; W214-I216 PolarHBondContact O-N 3.38Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 2.95Å; I216-T219 PolarHBondContact O-N 3.26Å; I216-V220 HydrophobicContact CG2-CG2 3.96Å; I216-V220 WeakPolarHBondContact O-CB 3.38Å; I216-V220 WeakPolarHBondContact O-CG2 3.21Å; I216-V220 PolarHBondContact O-N 2.87Å
217A88.1Confident88.7Confident36 Ų3661.3 Ų61.330%0.29834%0.338SS..Hα-helixtrans-59.8-40.818000000112.1S213 W214 T221S213-A217 WeakPolarHBondContact O-CB 3.2Å; S213-A217 PolarHBondContact O-N 3.03Å; W214-A217 PolarHBondContact O-N 3.22Å; A217-T221 WeakPolarHBondContact O-CB 3.33Å; A217-T221 PolarHBondContact O-N 3.18Å; A217-T221 PolarHBondContact O-OG1 2.96Å
218Q90.7Very high89.5Confident35 Ų3555.8 Ų55.816%0.16431%0.31CS..Hα-helixtrans-64.8-47.1175.3-68.4-54.6-44.900111.7W214 M215 I216 T221 A222W214-Q218 HydrophobicContact CD2-CG 3.97Å; W214-Q218 HydrophobicContact CE3-CG 4.39Å; W214-Q218 HydrophobicContact CG-CG 4.5Å; W214-Q218 HydrophobicContact CH2-CG 4.22Å; W214-Q218 HydrophobicContact CZ2-CG 3.78Å; W214-Q218 WeakPolarHBondContact O-CG 3.35Å; W214-Q218 PolarHBondContact O-N 3.11Å; M215-Q218 PolarHBondContact O-N 3.2Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 2.95Å; Q218-T221 PolarHBondContact O-N 3.07Å; Q218-A222 VanDerWaalsContact O-CB 3.28Å; Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 3.48Å
219T91Very high90.5Very high82 Ų8254.4 Ų54.450%0.50330%0.301SS..Hα-helixtrans-61.6-49.3178.9-62.90000111.5M215 I216 T221 A222 V223M215-T219 WeakPolarHBondContact O-CB 3.32Å; M215-T219 PolarHBondContact O-N 3.49Å; M215-T219 PolarHBondContact O-OG1 3.23Å; I216-T219 PolarHBondContact O-N 3.26Å; T219-T221 VanDerWaalsContact C-N 3.32Å; T219-T221 PolarHBondContact O-N 3.31Å; T219-A222 PolarHBondContact O-N 3.29Å; T219-V223 HydrophobicContact CG2-CG2 4.35Å; T219-V223 WeakPolarHBondContact O-CG2 3.35Å; T219-V223 PolarHBondContact O-N 3.29Å
220V92.6Very high91.3Very high1 Ų149.6 Ų49.61%0.00628%0.28CS..Hα-helixtrans-58-46.4177.4173.50000110.5Y191 V194 Y195 A198 I216 A224Y191-V220 HydrophobicContact CD1-CG1 3.98Å; Y191-V220 HydrophobicContact CD2-CG1 3.58Å; Y191-V220 HydrophobicContact CE1-CG1 3.96Å; Y191-V220 HydrophobicContact CE2-CB 4.48Å; Y191-V220 HydrophobicContact CE2-CG1 3.57Å; Y191-V220 HydrophobicContact CG-CG1 3.78Å; Y191-V220 WeakPolarHBondContact O-CG1 3.13Å; V194-V220 HydrophobicContact CB-CG1 4.4Å; V194-V220 HydrophobicContact CB-CG2 4.48Å; V194-V220 HydrophobicContact CG1-CB 4.32Å; V194-V220 HydrophobicContact CG1-CG2 3.93Å; Y195-V220 HydrophobicContact CD2-CG2 4.27Å; A198-V220 HydrophobicContact CB-CG2 4.32Å; I216-V220 HydrophobicContact CG2-CG2 3.96Å; I216-V220 WeakPolarHBondContact O-CB 3.38Å; I216-V220 WeakPolarHBondContact O-CG2 3.21Å; I216-V220 PolarHBondContact O-N 2.87Å; V220-A224 VanDerWaalsContact O-CB 3.24Å; V220-A224 WeakPolarHBondContact O-CB 3.28Å; V220-A224 PolarHBondContact O-N 3.16Å
221T93.5Very high92.1Very high50 Ų5045 Ų4531%0.30726%0.255SS..Hα-helixtrans-64.1-41.9179-60.40000111.8A217 Q218 T219 G225A217-T221 WeakPolarHBondContact O-CB 3.33Å; A217-T221 PolarHBondContact O-N 3.18Å; A217-T221 PolarHBondContact O-OG1 2.96Å; Q218-T221 PolarHBondContact O-N 3.07Å; T219-T221 VanDerWaalsContact C-N 3.32Å; T219-T221 PolarHBondContact O-N 3.31Å; T221-G225 WeakPolarHBondContact O-CA 3.4Å; T221-G225 PolarHBondContact O-N 2.86Å
222A94.6Very high92.8Very high29 Ų2941.7 Ų41.724%0.2424%0.239CC..Hα-helixtrans-65.9-48.217900000111.5Q218 T219 G225 L226 V278Q218-A222 VanDerWaalsContact O-CB 3.28Å; Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 3.48Å; T219-A222 PolarHBondContact O-N 3.29Å; A222-G225 PolarHBondContact O-N 3.49Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.15Å; A222-L226 PolarHBondContact O-N 3.34Å; A222-V278 HydrophobicContact CB-CG1 4.38Å; A222-V278 HydrophobicContact CB-CG2 4.39Å
223V95.5Very high93.5Very high55 Ų5539.3 Ų39.333%0.33322%0.224SC..Hα-helixtrans-65-48.5179.91770000111V194 T219 G225 L226 V227V194-V223 HydrophobicContact CG1-CB 4.32Å; V194-V223 HydrophobicContact CG1-CG1 4.47Å; V194-V223 HydrophobicContact CG2-CB 4.22Å; V194-V223 HydrophobicContact CG2-CG1 3.65Å; T219-V223 HydrophobicContact CG2-CG2 4.35Å; T219-V223 WeakPolarHBondContact O-CG2 3.35Å; T219-V223 PolarHBondContact O-N 3.29Å; V223-G225 VanDerWaalsContact C-N 3.25Å; V223-G225 PolarHBondContact O-N 3.38Å; V223-L226 PolarHBondContact O-N 2.8Å; V223-L226 VanDerWaalsContact O-N 3.11Å; V223-V227 HydrophobicContact CG1-CG2 4.4Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.01Å
224A96.4Very high94.2Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-60.7-38.6175.900000112Y187 A190 Y191 V220 S228Y187-A224 HydrophobicContact CD2-CB 3.91Å; Y187-A224 HydrophobicContact CE2-CB 3.75Å; A190-A224 HydrophobicContact CB-CB 4.06Å; Y191-A224 HydrophobicContact CD2-CB 4.33Å; V220-A224 VanDerWaalsContact O-CB 3.24Å; V220-A224 WeakPolarHBondContact O-CB 3.28Å; V220-A224 PolarHBondContact O-N 3.16Å; A224-S228 WeakPolarHBondContact O-CB 3.23Å; A224-S228 PolarHBondContact O-N 3.18Å; A224-S228 VanDerWaalsContact O-N 3.08Å; A224-S228 PolarHBondContact O-OG 3.4Å
225G96.5Very high94.9Very high10 Ų1032.9 Ų32.910%0.10319%0.191CC..Hα-helixtrans-60.9-42173.800000112.5T221 A222 V223 S228 Y229T221-G225 WeakPolarHBondContact O-CA 3.4Å; T221-G225 PolarHBondContact O-N 2.86Å; A222-G225 PolarHBondContact O-N 3.49Å; V223-G225 VanDerWaalsContact C-N 3.25Å; V223-G225 PolarHBondContact O-N 3.38Å; G225-S228 PolarHBondContact O-OG 2.86Å; G225-Y229 WeakPolarHBondContact O-CA 3.25Å; G225-Y229 VanDerWaalsContact O-CB 3.23Å; G225-Y229 WeakPolarHBondContact O-CB 3.39Å; G225-Y229 PolarHBondContact O-N 2.97Å
226L97.2Very high95.5Very high72 Ų7229 Ų2938%0.37717%0.172SC..Hα-helixtrans-68.7-46.6176.7-72.9169.8000111.9A222 V223 S228 Y229 F271 A274A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.15Å; A222-L226 PolarHBondContact O-N 3.34Å; V223-L226 PolarHBondContact O-N 2.8Å; V223-L226 VanDerWaalsContact O-N 3.11Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.48Å; L226-Y229 VanDerWaalsContact O-CB 3.28Å; L226-Y229 WeakPolarHBondContact O-CB 3.34Å; L226-Y229 PolarHBondContact O-N 3.09Å; L226-Y229 VanDerWaalsContact O-N 3.11Å; L226-F271 WeakPolarHBondContact O-CE1 3.43Å; L226-A274 HydrophobicContact CD2-CB 3.89Å
227V97.4Very high96Very high77 Ų7727.8 Ų27.847%0.46717%0.165SC..Hα-helixtrans-59.7-40.9179.5171.70000111.6I186 A190 V223I186-V227 HydrophobicContact CG2-CG1 4.03Å; A190-V227 HydrophobicContact CB-CB 3.98Å; A190-V227 HydrophobicContact CB-CG1 3.88Å; A190-V227 HydrophobicContact CB-CG2 4.37Å; V223-V227 HydrophobicContact CG1-CG2 4.4Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.01Å
228S97.6Very high96.5Very high14 Ų1426.2 Ų26.210%0.09815%0.152CC..Hα-helixtrans-86.3-8.2178.3610000114.2Y187 A224 G225 L226 P230 F231 D232Y187-S228 WeakPolarHBondContact CD2-OG 3.4Å; A224-S228 WeakPolarHBondContact O-CB 3.23Å; A224-S228 PolarHBondContact O-N 3.18Å; A224-S228 VanDerWaalsContact O-N 3.08Å; A224-S228 PolarHBondContact O-OG 3.4Å; G225-S228 PolarHBondContact O-OG 2.86Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.48Å; S228-P230 VanDerWaalsContact C-CD 3.48Å; S228-F231 WeakPolarHBondContact O-CB 3.37Å; S228-F231 PolarHBondContact O-N 3.48Å; S228-F231 VanDerWaalsContact O-N 3.07Å; S228-D232 PolarHBondContact O-N 2.87Å
229Y98.1Very high96.8Very high4 Ų424.5 Ų24.52%0.01614%0.144CC..Hα-helixtrans-58.4-39-172.9-156.3-95.4000114.4K33 Q37 G225 L226 F231 D232 T233 F270 F271 K272 G273 A274 N277K33-Y229 VanDerWaalsContact CE-OH 3.27Å; K33-Y229 WeakPolarHBondContact CE-OH 3.39Å; Q37-Y229 PolarHBondContact NE2-OH 2.81Å; G225-Y229 WeakPolarHBondContact O-CA 3.25Å; G225-Y229 VanDerWaalsContact O-CB 3.23Å; G225-Y229 WeakPolarHBondContact O-CB 3.39Å; G225-Y229 PolarHBondContact O-N 2.97Å; L226-Y229 VanDerWaalsContact O-CB 3.28Å; L226-Y229 WeakPolarHBondContact O-CB 3.34Å; L226-Y229 PolarHBondContact O-N 3.09Å; L226-Y229 VanDerWaalsContact O-N 3.11Å; Y229-F231 PolarHBondContact O-N 2.93Å; Y229-D232 WeakPolarHBondContact O-CA 3.26Å; Y229-D232 WeakPolarHBondContact O-CB 3.13Å; Y229-D232 PolarHBondContact O-N 2.98Å; Y229-T233 WeakPolarHBondContact CE1-OG1 3.23Å; Y229-T233 PolarHBondContact O-N 3.31Å; Y229-T233 PolarHBondContact O-OG1 3.38Å; Y229-F270 WeakPolarHBondContact CD1-O 2.99Å; Y229-F271 HydrophobicContact CD1-CD1 4.4Å; Y229-K272 WeakPolarHBondContact CE1-O 3.39Å; Y229-K272 PolarHBondContact OH-O 2.9Å; Y229-G273 PolarHBondContact OH-O 2.79Å; Y229-A274 HydrophobicContact CD1-CB 3.91Å; Y229-A274 HydrophobicContact CD2-CB 4.23Å; Y229-A274 HydrophobicContact CE1-CB 3.85Å; Y229-A274 HydrophobicContact CE2-CB 4.17Å; Y229-A274 HydrophobicContact CG-CB 4.11Å; Y229-A274 VanDerWaalsContact CZ-CA 3.47Å; Y229-A274 PolarHBondContact OH-N 2.87Å; Y229-N277 HydrophobicContact CD2-CB 4.49Å; Y229-N277 HydrophobicContact CE2-CB 3.69Å
230P98.5Very high97.1Very high17 Ų1720.8 Ų20.811%0.1112%0.121CC..Hα-helixtrans-54.7-37.2175.1-30.839.8000113.6S228 T233 V234 W258 F270 F271S228-P230 VanDerWaalsContact C-CD 3.48Å; P230-T233 PolarHBondContact O-N 2.97Å; P230-V234 WeakPolarHBondContact O-CG2 3.45Å; P230-V234 PolarHBondContact O-N 2.97Å; P230-W258 HydrophobicContact CB-CH2 3.47Å; P230-W258 VanDerWaalsContact CB-CH2 3.47Å; P230-W258 HydrophobicContact CB-CZ3 3.71Å; P230-F270 HydrophobicContact CB-CB 3.93Å; P230-F270 HydrophobicContact CB-CD1 4.08Å; P230-F270 HydrophobicContact CB-CG 4.16Å; P230-F270 HydrophobicContact CG-CB 4.03Å; P230-F271 HydrophobicContact CG-CE1 4.02Å; P230-F271 HydrophobicContact CG-CE2 4.14Å; P230-F271 HydrophobicContact CG-CZ 3.65Å
231F98.2Very high97.3Very high40 Ų4021.2 Ų21.218%0.17512%0.123CC..Hα-helixtrans-67.2-39.3175-67.2-97.6000112V179 Q182 I186 S228 Y229 T233 R235 W258V179-F231 HydrophobicContact CG1-CB 4.09Å; V179-F231 HydrophobicContact CG1-CD1 4.01Å; V179-F231 VanDerWaalsContact CG1-O 3.28Å; V179-F231 WeakPolarHBondContact CG1-O 3.27Å; Q182-F231 HydrophobicContact CB-CD1 3.88Å; Q182-F231 HydrophobicContact CB-CE1 3.81Å; I186-F231 HydrophobicContact CB-CE2 4.39Å; I186-F231 HydrophobicContact CG1-CE2 3.91Å; I186-F231 HydrophobicContact CG1-CZ 3.93Å; I186-F231 HydrophobicContact CG2-CE2 4.26Å; S228-F231 WeakPolarHBondContact O-CB 3.37Å; S228-F231 PolarHBondContact O-N 3.48Å; S228-F231 VanDerWaalsContact O-N 3.07Å; Y229-F231 PolarHBondContact O-N 2.93Å; F231-T233 VanDerWaalsContact C-N 3.35Å; F231-R235 WeakPolarHBondContact O-CB 3.41Å; F231-R235 PolarHBondContact O-N 3.43Å; F231-W258 HydrophobicContact CD1-CZ2 4.01Å; F231-W258 HydrophobicContact CD2-CH2 4.38Å; F231-W258 HydrophobicContact CD2-CZ2 4.44Å; F231-W258 HydrophobicContact CE1-CZ2 4.15Å; F231-W258 HydrophobicContact CE2-CH2 4.48Å; F231-W258 HydrophobicContact CG-CH2 4.48Å; F231-W258 HydrophobicContact CG-CZ2 4.15Å; F231-W258 HydrophobicContact CZ-CZ2 4.43Å
232D98.1Very high97.5Very high28 Ų2818.9 Ų18.915%0.1511%0.108CC..Hα-helixtrans-63.1-43173.4-173.252.9000110.4K33 Q37 S228 Y229 R235 R236K33-D232 WeakPolarHBondContact CE-OD2 3.41Å; K33-D232 IonicContact NZ-OD2 2.9Å; K33-D232 PolarHBondContact NZ-OD2 3.18Å; Q37-D232 PolarHBondContact NE2-OD2 2.93Å; Q37-D232 PolarHBondContact OE1-OD2 3.44Å; S228-D232 PolarHBondContact O-N 2.87Å; Y229-D232 WeakPolarHBondContact O-CA 3.26Å; Y229-D232 WeakPolarHBondContact O-CB 3.13Å; Y229-D232 PolarHBondContact O-N 2.98Å; D232-R235 WeakPolarHBondContact O-CB 3.24Å; D232-R235 PolarHBondContact O-N 3.23Å; D232-R236 VanDerWaalsContact O-CG 3.27Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.04Å; D232-R236 IonicContact OD1-CZ 2.78Å; D232-R236 IonicContact OD1-NE 3.49Å; D232-R236 PolarHBondContact OD1-NE 3.46Å; D232-R236 IonicContact OD1-NH2 3.6Å; D232-R236 PolarHBondContact OD1-NH2 3.3Å
233T98.4Very high97.5Very high0 Ų018.6 Ų18.60%011%0.108CC..Hα-helixtrans-61.5-51177.9-63.70000111.9Q37 Y229 P230 F231 R235 R236 R237 F270Q37-T233 HydrophobicContact CG-CG2 4.05Å; Q37-T233 VanDerWaalsContact NE2-CA 3.29Å; Q37-T233 PolarHBondContact NE2-OG1 3.33Å; Y229-T233 WeakPolarHBondContact CE1-OG1 3.23Å; Y229-T233 PolarHBondContact O-N 3.31Å; Y229-T233 PolarHBondContact O-OG1 3.38Å; P230-T233 PolarHBondContact O-N 2.97Å; F231-T233 VanDerWaalsContact C-N 3.35Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 2.89Å; T233-R236 PolarHBondContact O-N 3.27Å; T233-R237 HydrophobicContact CG2-CG 4.29Å; T233-R237 WeakPolarHBondContact O-CB 3.28Å; T233-R237 WeakPolarHBondContact O-CG 3.46Å; T233-R237 PolarHBondContact O-N 3.12Å; T233-F270 WeakPolarHBondContact CB-O 3.27Å; T233-F270 PolarHBondContact OG1-O 3.42Å
234V98.4Very high97.4Very high0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-60.7-42.8177.2173.70000111.2V179 P230 R236 R237 M238 T254 C257 W258 I261 F270V179-V234 HydrophobicContact CG1-CB 4.14Å; V179-V234 HydrophobicContact CG1-CG1 4.12Å; V179-V234 HydrophobicContact CG2-CG1 4.19Å; P230-V234 WeakPolarHBondContact O-CG2 3.45Å; P230-V234 PolarHBondContact O-N 2.97Å; V234-R236 PolarHBondContact O-N 3.26Å; V234-R237 PolarHBondContact O-N 3.39Å; V234-M238 HydrophobicContact CG1-CG 4.19Å; V234-M238 WeakPolarHBondContact O-CB 3.39Å; V234-M238 VanDerWaalsContact O-CG 3.25Å; V234-M238 WeakPolarHBondContact O-CG 3.48Å; V234-M238 PolarHBondContact O-N 3.41Å; V234-T254 HydrophobicContact CG1-CG2 4.31Å; V234-C257 HydrophobicContact CG1-CB 4.15Å; V234-W258 HydrophobicContact CB-CD2 4.48Å; V234-W258 HydrophobicContact CB-CZ2 4.24Å; V234-W258 HydrophobicContact CG1-CG 4.46Å; V234-W258 HydrophobicContact CG2-CD2 3.52Å; V234-W258 VanDerWaalsContact CG2-CE2 3.48Å; V234-W258 HydrophobicContact CG2-CE3 3.86Å; V234-W258 HydrophobicContact CG2-CG 3.99Å; V234-W258 HydrophobicContact CG2-CH2 4.13Å; V234-W258 HydrophobicContact CG2-CZ2 3.8Å; V234-W258 HydrophobicContact CG2-CZ3 4.15Å; V234-I261 HydrophobicContact CG2-CD1 4.03Å; V234-F270 HydrophobicContact CG2-CD1 4.17Å; V234-F270 HydrophobicContact CG2-CE1 3.76Å
235R98.3Very high97.2Very high23 Ų2324.2 Ų24.29%0.08713%0.128CC..Hα-helixtrans-53.6-53.8173.7172.1-168.2-171.1-165.32.8111.3Y132 D135 V179 S180 F231 D232 T233 R237 M238 M239Y132-R235 PolarHBondContact OH-NE 3.27Å; D135-R235 IonicContact OD2-CZ 2.96Å; D135-R235 IonicContact OD2-NH1 3.37Å; D135-R235 PolarHBondContact OD2-NH1 2.91Å; D135-R235 IonicContact OD2-NH2 2.79Å; D135-R235 PolarHBondContact OD2-NH2 3.26Å; V179-R235 HydrophobicContact CB-CB 4.45Å; V179-R235 HydrophobicContact CG1-CB 4.33Å; S180-R235 WeakPolarHBondContact OG-CD 3.38Å; S180-R235 VanDerWaalsContact OG-CG 3.26Å; S180-R235 WeakPolarHBondContact OG-CG 3.49Å; S180-R235 PolarHBondContact OG-NE 3.4Å; F231-R235 WeakPolarHBondContact O-CB 3.41Å; F231-R235 PolarHBondContact O-N 3.43Å; D232-R235 WeakPolarHBondContact O-CB 3.24Å; D232-R235 PolarHBondContact O-N 3.23Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 2.89Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.31Å; R235-M238 PolarHBondContact O-N 2.95Å; R235-M239 HydrophobicContact CG-CE 4Å; R235-M239 WeakPolarHBondContact O-CG 3.3Å; R235-M239 PolarHBondContact O-N 3.47Å
236R98.3Very high96.8Very high10 Ų1026.7 Ų26.74%0.03815%0.153CC..Hα-helixtrans-65.5-37.2-177.2-59.8-39.9175.5159.9-6.6111.7L34 Q37 V38 D135 T139 D232 T233 V234 M239 M240L34-R236 HydrophobicContact CD2-CG 4.24Å; Q37-R236 VanDerWaalsContact OE1-CG 3.28Å; V38-R236 HydrophobicContact CG1-CB 3.5Å; V38-R236 VanDerWaalsContact CG1-CB 3.5Å; D135-R236 VanDerWaalsContact CG-NH1 3.28Å; D135-R236 IonicContact OD1-CZ 2.76Å; D135-R236 IonicContact OD1-NH1 3.63Å; D135-R236 PolarHBondContact OD1-NH1 3.02Å; D135-R236 IonicContact OD1-NH2 2.77Å; D135-R236 PolarHBondContact OD1-NH2 3.22Å; D135-R236 IonicContact OD2-CZ 3.92Å; D135-R236 IonicContact OD2-NH1 3.74Å; D135-R236 PolarHBondContact OD2-NH1 3.4Å; D135-R236 IonicContact OD2-NH2 2.97Å; D135-R236 PolarHBondContact OD2-NH2 3.34Å; T139-R236 HydrophobicContact CG2-CB 4.19Å; T139-R236 HydrophobicContact CG2-CG 4.43Å; T139-R236 WeakPolarHBondContact OG1-CD 3.42Å; T139-R236 PolarHBondContact OG1-NH1 2.96Å; D232-R236 VanDerWaalsContact O-CG 3.27Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.04Å; D232-R236 IonicContact OD1-CZ 2.78Å; D232-R236 IonicContact OD1-NE 3.49Å; D232-R236 PolarHBondContact OD1-NE 3.46Å; D232-R236 IonicContact OD1-NH2 3.6Å; D232-R236 PolarHBondContact OD1-NH2 3.3Å; T233-R236 PolarHBondContact O-N 3.27Å; V234-R236 PolarHBondContact O-N 3.26Å; R236-M239 WeakPolarHBondContact O-CB 3.48Å; R236-M239 PolarHBondContact O-N 3.01Å; R236-M240 WeakPolarHBondContact O-CG 3.4Å; R236-M240 PolarHBondContact O-N 3.08Å
237R98.1Very high96.5Very high0 Ų028.5 Ų28.50%018%0.178CC..Hα-helixtrans-65-38174.6-70-64.4-171.1105.74.2112.9Q37 T233 V234 R235 M240 Q241 Y251 I261 E265Q37-R237 PolarHBondContact O-NE 3.31Å; Q37-R237 PolarHBondContact O-NH2 3.4Å; T233-R237 HydrophobicContact CG2-CG 4.29Å; T233-R237 WeakPolarHBondContact O-CB 3.28Å; T233-R237 WeakPolarHBondContact O-CG 3.46Å; T233-R237 PolarHBondContact O-N 3.12Å; V234-R237 PolarHBondContact O-N 3.39Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.31Å; R237-M240 PolarHBondContact O-N 3.29Å; R237-Q241 PolarHBondContact O-NE2 2.88Å; R237-Y251 HydrophobicContact CB-CE2 3.84Å; R237-Y251 PolarHBondContact NH1-OH 3.47Å; R237-I261 HydrophobicContact CB-CD1 4.36Å; R237-I261 HydrophobicContact CG-CD1 4.03Å; R237-E265 IonicContact CZ-OE1 3.41Å; R237-E265 IonicContact CZ-OE2 3.84Å; R237-E265 IonicContact NH1-OE1 3.79Å; R237-E265 PolarHBondContact NH1-OE1 3.39Å; R237-E265 IonicContact NH1-OE2 2.91Å; R237-E265 IonicContact NH2-OE1 3.63Å; R237-E265 PolarHBondContact NH2-OE1 2.94Å; R237-E265 IonicContact NH2-OE2 2.79Å; R237-E265 PolarHBondContact NH2-OE2 2.9Å
238M98.1Very high96.2Very high3 Ų328.9 Ų28.92%0.01518%0.178CC..Hα-helixtrans-65.7-42.7173.3-73.7-56.9-65.100111.6Q175 V234 R235 M240 Q241 Y251 C257Q175-M238 HydrophobicContact CG-CB 4.34Å; Q175-M238 HydrophobicContact CG-CE 4.34Å; Q175-M238 WeakPolarHBondContact CG-O 3.41Å; Q175-M238 VanDerWaalsContact NE2-CE 3.33Å; V234-M238 HydrophobicContact CG1-CG 4.19Å; V234-M238 WeakPolarHBondContact O-CB 3.39Å; V234-M238 VanDerWaalsContact O-CG 3.25Å; V234-M238 WeakPolarHBondContact O-CG 3.48Å; V234-M238 PolarHBondContact O-N 3.41Å; R235-M238 PolarHBondContact O-N 2.95Å; M238-M240 PolarHBondContact O-N 2.98Å; M238-Q241 WeakPolarHBondContact O-CB 3.32Å; M238-Q241 PolarHBondContact O-N 3.06Å; M238-Y251 HydrophobicContact SD-CD2 4.46Å; M238-C257 HydrophobicContact CG-CB 4.27Å; M238-C257 HydrophobicContact SD-CB 3.6Å; M238-C257 VanDerWaalsContact SD-CB 3.6Å
239M98.1Very high96Very high0 Ų031.8 Ų31.80%019%0.191CC..Hα-helixtrans-56.1-34175.2-66.6173.516600112.4Y132 F136 T139 R140 Q175 R235 R236 Q241 S242Y132-M239 HydrophobicContact CD1-CE 4.49Å; Y132-M239 HydrophobicContact CE1-CE 3.63Å; Y132-M239 HydrophobicContact CE2-CE 4.16Å; Y132-M239 VanDerWaalsContact CZ-CE 3.44Å; Y132-M239 VanDerWaalsContact OH-CE 3.26Å; Y132-M239 WeakPolarHBondContact OH-CE 3.48Å; F136-M239 HydrophobicContact CB-CE 4.4Å; F136-M239 HydrophobicContact CD2-CB 3.85Å; F136-M239 HydrophobicContact CD2-CG 3.86Å; F136-M239 HydrophobicContact CE2-CB 4.02Å; F136-M239 HydrophobicContact CE2-CG 4.49Å; F136-M239 WeakPolarHBondContact CE2-O 3.44Å; T139-M239 HydrophobicContact CG2-CB 4.4Å; T139-M239 HydrophobicContact CG2-SD 3.94Å; R140-M239 WeakPolarHBondContact CD-O 3.25Å; Q175-M239 WeakPolarHBondContact O-CG 3.46Å; R235-M239 HydrophobicContact CG-CE 4Å; R235-M239 WeakPolarHBondContact O-CG 3.3Å; R235-M239 PolarHBondContact O-N 3.47Å; R236-M239 WeakPolarHBondContact O-CB 3.48Å; R236-M239 PolarHBondContact O-N 3.01Å; M239-Q241 PolarHBondContact O-N 2.96Å; M239-S242 PolarHBondContact O-N 3.34Å
240M97.5Very high95.9Very high4 Ų434.5 Ų34.52%0.0221%0.205CC..THydrogen-bonded Turntrans-71.6-7.1178.3-62.6-58.6-71.200114.5V38 A41 R140 A143 R236 R237 M238 R244V38-M240 HydrophobicContact CB-CG 3.95Å; V38-M240 HydrophobicContact CB-SD 4.46Å; V38-M240 HydrophobicContact CG1-CG 4.3Å; V38-M240 HydrophobicContact CG2-CE 4.41Å; V38-M240 HydrophobicContact CG2-CG 4.4Å; V38-M240 HydrophobicContact CG2-SD 4.29Å; A41-M240 HydrophobicContact CB-CB 4Å; A41-M240 HydrophobicContact CB-CG 4.42Å; A41-M240 WeakPolarHBondContact O-CB 3.24Å; R140-M240 PolarHBondContact NH1-SD 2.87Å; R140-M240 VanDerWaalsContact NH1-SD 3.41Å; A143-M240 HydrophobicContact CB-CE 3.49Å; A143-M240 VanDerWaalsContact CB-CE 3.49Å; A143-M240 HydrophobicContact CB-SD 3.6Å; A143-M240 VanDerWaalsContact CB-SD 3.6Å; R236-M240 WeakPolarHBondContact O-CG 3.4Å; R236-M240 PolarHBondContact O-N 3.08Å; R237-M240 PolarHBondContact O-N 3.29Å; M238-M240 PolarHBondContact O-N 2.98Å; M240-R244 PolarHBondContact O-NE 3.12Å
241Q96.8Very high95.7Very high9 Ų934 Ų344%0.04220%0.201CC..THydrogen-bonded Turntrans-81.7-19.8175.3-57.6-49.6-64.400112.8R237 M238 M239 R244 Y251R237-Q241 PolarHBondContact O-NE2 2.88Å; M238-Q241 WeakPolarHBondContact O-CB 3.32Å; M238-Q241 PolarHBondContact O-N 3.06Å; M239-Q241 PolarHBondContact O-N 2.96Å; Q241-R244 VanDerWaalsContact O-CB 3.27Å; Q241-R244 WeakPolarHBondContact O-CB 3.38Å; Q241-R244 VanDerWaalsContact O-CG 3.28Å; Q241-R244 WeakPolarHBondContact O-CG 3.23Å; Q241-R244 PolarHBondContact O-N 3.35Å; Q241-Y251 VanDerWaalsContact CD-CD2 3.49Å; Q241-Y251 HydrophobicContact CG-CD2 3.78Å; Q241-Y251 HydrophobicContact CG-CG 4.48Å; Q241-Y251 VanDerWaalsContact NE2-CD2 3.27Å
242S96.4Very high95.5Very high1 Ų137.9 Ų37.91%0.00723%0.228CC..THydrogen-bonded Turntrans-71.5135.8179.6-540000111.3R140 D168 G172 Q175 M239R140-S242 PolarHBondContact NH2-O 3.13Å; D168-S242 WeakPolarHBondContact OD2-CA 2.9Å; D168-S242 WeakPolarHBondContact OD2-CB 3.25Å; G172-S242 WeakPolarHBondContact O-CB 3.37Å; G172-S242 PolarHBondContact O-OG 3.37Å; Q175-S242 VanDerWaalsContact CB-OG 3.3Å; Q175-S242 WeakPolarHBondContact CB-OG 3.41Å; M239-S242 PolarHBondContact O-N 3.34Å
243G94.5Very high95.4Very high23 Ų2337.6 Ų37.624%0.23723%0.232CC..THydrogen-bonded Turntrans84.29-171.100000114D168D168-G243 PolarHBondContact OD1-N 3.08Å; D168-G243 PolarHBondContact OD2-N 2.91Å
244R94.6Very high95.3Very high22 Ų2239.4 Ų39.48%0.08324%0.243CC..  trans-101.4148.3174.9-54-164.7176.8-150.3-3.2111.1A41 M240 Q241 D248 I249 M250A41-R244 PolarHBondContact O-NH2 2.87Å; M240-R244 PolarHBondContact O-NE 3.12Å; Q241-R244 VanDerWaalsContact O-CB 3.27Å; Q241-R244 WeakPolarHBondContact O-CB 3.38Å; Q241-R244 VanDerWaalsContact O-CG 3.28Å; Q241-R244 WeakPolarHBondContact O-CG 3.23Å; Q241-R244 PolarHBondContact O-N 3.35Å; R244-D248 HydrophobicContact CB-CB 4.08Å; R244-D248 WeakPolarHBondContact CD-O 3.34Å; R244-D248 PolarHBondContact NH1-O 3.36Å; R244-I249 HydrophobicContact CB-CG1 3.97Å; R244-M250 VanDerWaalsContact NH1-CG 3.27Å; R244-M250 PolarHBondContact NH1-SD 3.11Å
245K91Very high95.3Very high152 Ų15245.2 Ų45.266%0.66128%0.278SS*.  trans-136.1149.3179.2-63.2-173179.4-174.60110.5A247 D248K245-A247 PolarHBondContact O-N 2.96Å; K245-D248 WeakPolarHBondContact O-CB 3.21Å; K245-D248 PolarHBondContact O-N 3.46Å; K245-D248 VanDerWaalsContact O-N 3.16Å
246G90.1Very high95.2Very high62 Ų6244.8 Ų44.864%0.63928%0.277SS*.G310 helixtrans53.1-129.6174.200000113.1D248 I249G246-D248 PolarHBondContact O-N 3.26Å; G246-D248 VanDerWaalsContact O-N 3.13Å; G246-I249 PolarHBondContact O-N 2.83Å; G246-I249 VanDerWaalsContact O-N 3.16Å
247A89.3Confident95.2Very high109 Ų10944.3 Ų44.390%0.90128%0.276SS*.G310 helixtrans-62.4-16.5-177.300000114.7K245 I249K245-A247 PolarHBondContact O-N 2.96Å; A247-I249 VanDerWaalsContact C-N 3.26Å; A247-I249 PolarHBondContact O-N 3.32Å
248D91.2Very high95.2Very high85 Ų8547.5 Ų47.546%0.45529%0.288SS..G310 helixtrans-72.2-19.7176.6-73.4-20.3000113.1K43 R244 K245 G246 M250K43-D248 WeakPolarHBondContact CE-OD2 3.39Å; K43-D248 IonicContact NZ-OD2 3.43Å; K43-D248 PolarHBondContact NZ-OD2 2.93Å; R244-D248 HydrophobicContact CB-CB 4.08Å; R244-D248 WeakPolarHBondContact CD-O 3.34Å; R244-D248 PolarHBondContact NH1-O 3.36Å; K245-D248 WeakPolarHBondContact O-CB 3.21Å; K245-D248 PolarHBondContact O-N 3.46Å; K245-D248 VanDerWaalsContact O-N 3.16Å; G246-D248 PolarHBondContact O-N 3.26Å; G246-D248 VanDerWaalsContact O-N 3.13Å; D248-M250 PolarHBondContact O-N 3.49Å
249I94.5Very high95.2Very high75 Ų7555 Ų5539%0.38532%0.316SS..  trans-71.8116.6-177.3-61.8173.1000109R244 G246 A247 Y251R244-I249 HydrophobicContact CB-CG1 3.97Å; G246-I249 PolarHBondContact O-N 2.83Å; G246-I249 VanDerWaalsContact O-N 3.16Å; A247-I249 VanDerWaalsContact C-N 3.26Å; A247-I249 PolarHBondContact O-N 3.32Å; I249-Y251 WeakPolarHBondContact CG2-O 3.46Å
250M94.8Very high95.2Very high61 Ų6157.9 Ų57.930%0.333%0.328SS..  trans-85.8-34.7-179.5-70.9177.770.800112.9H40 A41 R244 D248 K260H40-M250 WeakPolarHBondContact O-CE 3.35Å; A41-M250 HydrophobicContact CB-SD 4.16Å; R244-M250 VanDerWaalsContact NH1-CG 3.27Å; R244-M250 PolarHBondContact NH1-SD 3.11Å; D248-M250 PolarHBondContact O-N 3.49Å; M250-K260 WeakPolarHBondContact O-CD 3.44Å; M250-K260 PolarHBondContact O-NZ 2.79Å
251Y96Very high95.2Very high7 Ų757.7 Ų57.73%0.02733%0.327CS..  trans-126.3120.3-176.5-45.4-59.7000109.5A41 R237 M238 Q241 I249 G253 C257 K260A41-Y251 HydrophobicContact CB-CE2 4.16Å; R237-Y251 HydrophobicContact CB-CE2 3.84Å; R237-Y251 PolarHBondContact NH1-OH 3.47Å; M238-Y251 HydrophobicContact SD-CD2 4.46Å; Q241-Y251 VanDerWaalsContact CD-CD2 3.49Å; Q241-Y251 HydrophobicContact CG-CD2 3.78Å; Q241-Y251 HydrophobicContact CG-CG 4.48Å; Q241-Y251 VanDerWaalsContact NE2-CD2 3.27Å; I249-Y251 WeakPolarHBondContact CG2-O 3.46Å; Y251-G253 PolarHBondContact O-N 3.45Å; Y251-C257 HydrophobicContact CD1-CB 3.93Å; Y251-C257 HydrophobicContact CD2-CB 4.13Å; Y251-C257 HydrophobicContact CG-CB 3.7Å; Y251-K260 HydrophobicContact CD1-CB 4.21Å; Y251-K260 HydrophobicContact CD1-CD 3.97Å; Y251-K260 HydrophobicContact CE1-CB 4Å; Y251-K260 HydrophobicContact CE1-CD 4.36Å
252T93.8Very high95.3Very high121 Ų12159.4 Ų59.474%0.74234%0.344SS*.SBendtrans-73.4-20.9178.457.40000112.2D256T252-D256 PolarHBondContact N-OD2 3.03Å; T252-D256 WeakPolarHBondContact OG1-CB 3.46Å; T252-D256 PolarHBondContact OG1-OD2 3.4Å
253G94.7Very high95.3Very high22 Ų2267.7 Ų67.723%0.22738%0.379CS..SBendtrans-173.7-179176.500000111.9Y251 V255 D256 C257Y251-G253 PolarHBondContact O-N 3.45Å; G253-V255 PolarHBondContact O-N 3.22Å; G253-D256 PolarHBondContact O-N 2.98Å; G253-C257 WeakPolarHBondContact O-CB 3.3Å; G253-C257 PolarHBondContact O-N 2.93Å
254T96.7Very high95.3Very high39 Ų3971.8 Ų71.824%0.23940%0.396CS..Hα-helixtrans-55.6-47.5-178.6-66.40000113V179 V234 C257 W258V179-T254 HydrophobicContact CG2-CG2 3.25Å; V179-T254 WeakPolarHBondContact CG2-OG1 3.41Å; V234-T254 HydrophobicContact CG1-CG2 4.31Å; T254-C257 WeakPolarHBondContact O-CB 3.37Å; T254-C257 PolarHBondContact O-N 3.43Å; T254-W258 PolarHBondContact O-N 3.42Å
255V97.7Very high95.4Very high121 Ų12173 Ų7373%0.73340%0.402SS*.Hα-helixtrans-66.2-40.9-177.7178.30000110.9G253 C257 W258 R259G253-V255 PolarHBondContact O-N 3.22Å; V255-C257 VanDerWaalsContact C-N 3.31Å; V255-C257 PolarHBondContact O-N 2.85Å; V255-W258 PolarHBondContact O-N 3.16Å; V255-R259 WeakPolarHBondContact O-CB 3.48Å; V255-R259 PolarHBondContact O-N 3.12Å
256D97.6Very high95.6Very high14 Ų1466.7 Ų66.78%0.07538%0.381CS..Hα-helixtrans-63.8-37.8174.4-173.153.7000111.5T252 G253 R259 K260T252-D256 PolarHBondContact N-OD2 3.03Å; T252-D256 WeakPolarHBondContact OG1-CB 3.46Å; T252-D256 PolarHBondContact OG1-OD2 3.4Å; G253-D256 PolarHBondContact O-N 2.98Å; D256-R259 PolarHBondContact O-N 2.89Å; D256-R259 IonicContact OD1-CZ 3.35Å; D256-R259 IonicContact OD1-NE 2.7Å; D256-R259 IonicContact OD1-NH2 3.93Å; D256-R259 PolarHBondContact OD1-NH2 3.14Å; D256-K260 WeakPolarHBondContact O-CB 3.49Å; D256-K260 WeakPolarHBondContact O-CG 3.21Å; D256-K260 PolarHBondContact O-N 2.73Å; D256-K260 WeakPolarHBondContact OD1-CE 3.33Å; D256-K260 IonicContact OD1-NZ 2.67Å; D256-K260 WeakPolarHBondContact OD2-CD 3.43Å; D256-K260 VanDerWaalsContact OD2-CE 3.29Å; D256-K260 WeakPolarHBondContact OD2-CE 3.28Å; D256-K260 IonicContact OD2-NZ 3.62Å; D256-K260 PolarHBondContact OD2-NZ 3.36Å
257C98.1Very high95.9Very high0 Ų068.4 Ų68.40%038%0.381CS..Hα-helixtrans-60.2-48.9173.7-1720000112.1V234 M238 Y251 G253 T254 V255 R259 K260 I261V234-C257 HydrophobicContact CG1-CB 4.15Å; M238-C257 HydrophobicContact CG-CB 4.27Å; M238-C257 HydrophobicContact SD-CB 3.6Å; M238-C257 VanDerWaalsContact SD-CB 3.6Å; Y251-C257 HydrophobicContact CD1-CB 3.93Å; Y251-C257 HydrophobicContact CD2-CB 4.13Å; Y251-C257 HydrophobicContact CG-CB 3.7Å; G253-C257 WeakPolarHBondContact O-CB 3.3Å; G253-C257 PolarHBondContact O-N 2.93Å; T254-C257 WeakPolarHBondContact O-CB 3.37Å; T254-C257 PolarHBondContact O-N 3.43Å; V255-C257 VanDerWaalsContact C-N 3.31Å; V255-C257 PolarHBondContact O-N 2.85Å; C257-R259 PolarHBondContact O-N 2.9Å; C257-K260 PolarHBondContact O-N 3.43Å; C257-I261 WeakPolarHBondContact O-CB 3.11Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 VanDerWaalsContact O-CG1 3.22Å; C257-I261 WeakPolarHBondContact O-CG1 3.49Å; C257-I261 PolarHBondContact O-N 3.42Å
258W98.3Very high96.2Very high67 Ų6771.9 Ų71.925%0.25438%0.375SS..Hα-helixtrans-55.2-51.1173.3-81105.7000111.8P230 F231 V234 T254 V255 A262 F270P230-W258 HydrophobicContact CB-CH2 3.47Å; P230-W258 VanDerWaalsContact CB-CH2 3.47Å; P230-W258 HydrophobicContact CB-CZ3 3.71Å; F231-W258 HydrophobicContact CD1-CZ2 4.01Å; F231-W258 HydrophobicContact CD2-CH2 4.38Å; F231-W258 HydrophobicContact CD2-CZ2 4.44Å; F231-W258 HydrophobicContact CE1-CZ2 4.15Å; F231-W258 HydrophobicContact CE2-CH2 4.48Å; F231-W258 HydrophobicContact CG-CH2 4.48Å; F231-W258 HydrophobicContact CG-CZ2 4.15Å; F231-W258 HydrophobicContact CZ-CZ2 4.43Å; V234-W258 HydrophobicContact CB-CD2 4.48Å; V234-W258 HydrophobicContact CB-CZ2 4.24Å; V234-W258 HydrophobicContact CG1-CG 4.46Å; V234-W258 HydrophobicContact CG2-CD2 3.52Å; V234-W258 VanDerWaalsContact CG2-CE2 3.48Å; V234-W258 HydrophobicContact CG2-CE3 3.86Å; V234-W258 HydrophobicContact CG2-CG 3.99Å; V234-W258 HydrophobicContact CG2-CH2 4.13Å; V234-W258 HydrophobicContact CG2-CZ2 3.8Å; V234-W258 HydrophobicContact CG2-CZ3 4.15Å; T254-W258 PolarHBondContact O-N 3.42Å; V255-W258 PolarHBondContact O-N 3.16Å; W258-A262 WeakPolarHBondContact O-CB 3.4Å; W258-A262 PolarHBondContact O-N 3.38Å; W258-F270 HydrophobicContact CD2-CE1 4.15Å; W258-F270 HydrophobicContact CE3-CD1 4.02Å; W258-F270 AromaticContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE2 4.46Å; W258-F270 AromaticContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CE3-CZ 3.5Å; W258-F270 VanDerWaalsContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CH2-CE1 4.47Å; W258-F270 AromaticContact CZ3-CD1 3.72Å; W258-F270 HydrophobicContact CZ3-CD1 3.72Å; W258-F270 AromaticContact CZ3-CE1 3.42Å; W258-F270 HydrophobicContact CZ3-CE1 3.42Å; W258-F270 VanDerWaalsContact CZ3-CE1 3.42Å; W258-F270 HydrophobicContact CZ3-CG 4.43Å; W258-F270 AromaticContact CZ3-CZ 3.91Å; W258-F270 HydrophobicContact CZ3-CZ 3.91Å
259R98.1Very high96.5Very high161 Ų16167.9 Ų67.961%0.60835%0.354SS*.Hα-helixtrans-61.3-48.5-177.5-175.6-178.464.8163-1.1112V255 D256 C257 A262 K263V255-R259 WeakPolarHBondContact O-CB 3.48Å; V255-R259 PolarHBondContact O-N 3.12Å; D256-R259 PolarHBondContact O-N 2.89Å; D256-R259 IonicContact OD1-CZ 3.35Å; D256-R259 IonicContact OD1-NE 2.7Å; D256-R259 IonicContact OD1-NH2 3.93Å; D256-R259 PolarHBondContact OD1-NH2 3.14Å; C257-R259 PolarHBondContact O-N 2.9Å; R259-A262 PolarHBondContact O-N 3Å; R259-K263 VanDerWaalsContact O-CB 3.22Å; R259-K263 WeakPolarHBondContact O-CB 3.07Å; R259-K263 PolarHBondContact O-N 3.23Å
260K97.8Very high96.6Very high60 Ų6065.2 Ų65.226%0.26134%0.34SS..Hα-helixtrans-67.5-40.6-178.6-77176.8171.1161.80112.4M250 Y251 D256 C257 A262 K263 D264M250-K260 WeakPolarHBondContact O-CD 3.44Å; M250-K260 PolarHBondContact O-NZ 2.79Å; Y251-K260 HydrophobicContact CD1-CB 4.21Å; Y251-K260 HydrophobicContact CD1-CD 3.97Å; Y251-K260 HydrophobicContact CE1-CB 4Å; Y251-K260 HydrophobicContact CE1-CD 4.36Å; D256-K260 WeakPolarHBondContact O-CB 3.49Å; D256-K260 WeakPolarHBondContact O-CG 3.21Å; D256-K260 PolarHBondContact O-N 2.73Å; D256-K260 WeakPolarHBondContact OD1-CE 3.33Å; D256-K260 IonicContact OD1-NZ 2.67Å; D256-K260 WeakPolarHBondContact OD2-CD 3.43Å; D256-K260 VanDerWaalsContact OD2-CE 3.29Å; D256-K260 WeakPolarHBondContact OD2-CE 3.28Å; D256-K260 IonicContact OD2-NZ 3.62Å; D256-K260 PolarHBondContact OD2-NZ 3.36Å; C257-K260 PolarHBondContact O-N 3.43Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 2.94Å; K260-K263 PolarHBondContact O-N 3.49Å; K260-D264 WeakPolarHBondContact O-CA 3.36Å; K260-D264 WeakPolarHBondContact O-CB 3.23Å; K260-D264 VanDerWaalsContact O-CG 3.26Å; K260-D264 PolarHBondContact O-N 2.7Å
261I97.8Very high96.8Very high0 Ų066.5 Ų66.50%034%0.344CS..Iπ-helixtrans-60.3-47.4174.3-67.2165.9000110.3V234 R237 C257 E265 G266 A269 F270V234-I261 HydrophobicContact CG2-CD1 4.03Å; R237-I261 HydrophobicContact CB-CD1 4.36Å; R237-I261 HydrophobicContact CG-CD1 4.03Å; C257-I261 WeakPolarHBondContact O-CB 3.11Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 VanDerWaalsContact O-CG1 3.22Å; C257-I261 WeakPolarHBondContact O-CG1 3.49Å; C257-I261 PolarHBondContact O-N 3.42Å; I261-E265 WeakPolarHBondContact O-CB 3.49Å; I261-E265 PolarHBondContact O-N 2.83Å; I261-E265 VanDerWaalsContact O-N 3.09Å; I261-G266 PolarHBondContact O-N 3.34Å; I261-G266 VanDerWaalsContact O-N 3.14Å; I261-A269 HydrophobicContact CG2-CB 3.74Å; I261-F270 HydrophobicContact CB-CE1 3.84Å; I261-F270 HydrophobicContact CB-CE2 4.48Å; I261-F270 HydrophobicContact CB-CZ 3.76Å; I261-F270 HydrophobicContact CD1-CE1 4.13Å; I261-F270 HydrophobicContact CG2-CD1 3.87Å; I261-F270 HydrophobicContact CG2-CD2 4.19Å; I261-F270 HydrophobicContact CG2-CE1 3.54Å; I261-F270 HydrophobicContact CG2-CE2 3.89Å; I261-F270 HydrophobicContact CG2-CG 4.17Å; I261-F270 HydrophobicContact CG2-CZ 3.55Å
262A97.8Very high96.7Very high46 Ų4668.8 Ų68.838%0.3835%0.354SS..Iπ-helixtrans-64.7-42.1-179.800000112.7W258 R259 K260 G266 F270W258-A262 WeakPolarHBondContact O-CB 3.4Å; W258-A262 PolarHBondContact O-N 3.38Å; R259-A262 PolarHBondContact O-N 3Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 2.94Å; A262-G266 VanDerWaalsContact O-CA 3.25Å; A262-G266 WeakPolarHBondContact O-CA 3.34Å; A262-G266 PolarHBondContact O-N 2.85Å; A262-F270 HydrophobicContact CB-CE2 3.93Å; A262-F270 HydrophobicContact CB-CZ 4.13Å
263K97.1Very high96.8Very high174 Ų17463.5 Ų63.576%0.75732%0.323SS*.Iπ-helixtrans-76.6-46-176.7-174.5-177.1176.4-1760112.8R259 K260R259-K263 VanDerWaalsContact O-CB 3.22Å; R259-K263 WeakPolarHBondContact O-CB 3.07Å; R259-K263 PolarHBondContact O-N 3.23Å; K260-K263 PolarHBondContact O-N 3.49Å
264D95.6Very high96.9Very high110 Ų11062.8 Ų62.859%0.58832%0.315SS*.Iπ-helixtrans-93.9-30.4-167.4-50.7-24.6000112K260K260-D264 WeakPolarHBondContact O-CA 3.36Å; K260-D264 WeakPolarHBondContact O-CB 3.23Å; K260-D264 VanDerWaalsContact O-CG 3.26Å; K260-D264 PolarHBondContact O-N 2.7Å
265E95.1Very high96.8Very high47 Ų4768.5 Ų68.522%0.2233%0.333CS..Iπ-helixtrans-113.3-12.7-179.5-56.7-179.1-126.800113.8H40 R237 I261 A269 K272H40-E265 IonicContact CD2-OE1 2.79Å; H40-E265 IonicContact CD2-OE2 3.22Å; H40-E265 PolarHBondContact CD2-OE2 3.29Å; H40-E265 IonicContact CE1-OE2 2.82Å; H40-E265 IonicContact CG-OE1 3.99Å; H40-E265 IonicContact CG-OE2 2.75Å; H40-E265 VanDerWaalsContact CG-OE2 3.27Å; H40-E265 IonicContact ND1-OE2 3.91Å; H40-E265 IonicContact NE2-OE2 3.45Å; H40-E265 PolarHBondContact NE2-OE2 3.49Å; R237-E265 IonicContact CZ-OE1 3.41Å; R237-E265 IonicContact CZ-OE2 3.84Å; R237-E265 IonicContact NH1-OE1 3.79Å; R237-E265 PolarHBondContact NH1-OE1 3.39Å; R237-E265 IonicContact NH1-OE2 2.91Å; R237-E265 IonicContact NH2-OE1 3.63Å; R237-E265 PolarHBondContact NH2-OE1 2.94Å; R237-E265 IonicContact NH2-OE2 2.79Å; R237-E265 PolarHBondContact NH2-OE2 2.9Å; I261-E265 WeakPolarHBondContact O-CB 3.49Å; I261-E265 PolarHBondContact O-N 2.83Å; I261-E265 VanDerWaalsContact O-N 3.09Å; E265-A269 HydrophobicContact CB-CB 3.34Å; E265-A269 HydrophobicContact CG-CB 4.31Å; E265-K272 IonicContact OE2-NZ 2.8Å; E265-K272 PolarHBondContact OE2-NZ 3.34Å
266G96.3Very high96.7Very high20 Ų2062.8 Ų62.821%0.20630%0.298CS..  trans79.9167.7-176.500000114.7I261 A262 K268 A269I261-G266 PolarHBondContact O-N 3.34Å; I261-G266 VanDerWaalsContact O-N 3.14Å; A262-G266 VanDerWaalsContact O-CA 3.25Å; A262-G266 WeakPolarHBondContact O-CA 3.34Å; A262-G266 PolarHBondContact O-N 2.85Å; G266-K268 VanDerWaalsContact C-N 3.26Å; G266-K268 PolarHBondContact O-N 2.89Å; G266-A269 WeakPolarHBondContact O-CB 3.21Å; G266-A269 PolarHBondContact O-N 2.85Å
267P95.3Very high96.6Very high98 Ų9863.3 Ų63.364%0.63630%0.301SS*.G310 helixtrans-63.7-26.6-173.123.8-34.2000114.1A269 F270P267-A269 PolarHBondContact O-N 3.29Å; P267-F270 WeakPolarHBondContact O-CD2 3.1Å; P267-F270 PolarHBondContact O-N 3.01Å
268K96Very high96.4Very high182 Ų18264.3 Ų64.379%0.79131%0.307SS*.G310 helixtrans-65-23.4176.1-66.8-176.8-179.2177.90112.4G266 F270 F271G266-K268 VanDerWaalsContact C-N 3.26Å; G266-K268 PolarHBondContact O-N 2.89Å; K268-F270 PolarHBondContact O-N 3.35Å; K268-F271 PolarHBondContact O-N 3.38Å
269A96.6Very high96.2Very high1 Ų164.1 Ų64.11%0.00831%0.311CS..G310 helixtrans-62.9-30.6-179.400000113.1I261 E265 G266 P267 F271 K272I261-A269 HydrophobicContact CG2-CB 3.74Å; E265-A269 HydrophobicContact CB-CB 3.34Å; E265-A269 HydrophobicContact CG-CB 4.31Å; G266-A269 WeakPolarHBondContact O-CB 3.21Å; G266-A269 PolarHBondContact O-N 2.85Å; P267-A269 PolarHBondContact O-N 3.29Å; A269-F271 PolarHBondContact O-N 2.96Å; A269-F271 VanDerWaalsContact O-N 3.14Å; A269-K272 PolarHBondContact O-N 3.41Å
270F98Very high95.9Very high18 Ų1859.8 Ų59.88%0.07929%0.294CS..G310 helixtrans-60.5-22.7174.7-68.8-69.9000113.1Y229 P230 T233 V234 W258 I261 A262 P267 K268Y229-F270 WeakPolarHBondContact CD1-O 2.99Å; P230-F270 HydrophobicContact CB-CB 3.93Å; P230-F270 HydrophobicContact CB-CD1 4.08Å; P230-F270 HydrophobicContact CB-CG 4.16Å; P230-F270 HydrophobicContact CG-CB 4.03Å; T233-F270 WeakPolarHBondContact CB-O 3.27Å; T233-F270 PolarHBondContact OG1-O 3.42Å; V234-F270 HydrophobicContact CG2-CD1 4.17Å; V234-F270 HydrophobicContact CG2-CE1 3.76Å; W258-F270 HydrophobicContact CD2-CE1 4.15Å; W258-F270 HydrophobicContact CE3-CD1 4.02Å; W258-F270 AromaticContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE1 3.22Å; W258-F270 HydrophobicContact CE3-CE2 4.46Å; W258-F270 AromaticContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CE3-CZ 3.5Å; W258-F270 VanDerWaalsContact CE3-CZ 3.5Å; W258-F270 HydrophobicContact CH2-CE1 4.47Å; W258-F270 AromaticContact CZ3-CD1 3.72Å; W258-F270 HydrophobicContact CZ3-CD1 3.72Å; W258-F270 AromaticContact CZ3-CE1 3.42Å; W258-F270 HydrophobicContact CZ3-CE1 3.42Å; W258-F270 VanDerWaalsContact CZ3-CE1 3.42Å; W258-F270 HydrophobicContact CZ3-CG 4.43Å; W258-F270 AromaticContact CZ3-CZ 3.91Å; W258-F270 HydrophobicContact CZ3-CZ 3.91Å; I261-F270 HydrophobicContact CB-CE1 3.84Å; I261-F270 HydrophobicContact CB-CE2 4.48Å; I261-F270 HydrophobicContact CB-CZ 3.76Å; I261-F270 HydrophobicContact CD1-CE1 4.13Å; I261-F270 HydrophobicContact CG2-CD1 3.87Å; I261-F270 HydrophobicContact CG2-CD2 4.19Å; I261-F270 HydrophobicContact CG2-CE1 3.54Å; I261-F270 HydrophobicContact CG2-CE2 3.89Å; I261-F270 HydrophobicContact CG2-CG 4.17Å; I261-F270 HydrophobicContact CG2-CZ 3.55Å; A262-F270 HydrophobicContact CB-CE2 3.93Å; A262-F270 HydrophobicContact CB-CZ 4.13Å; P267-F270 WeakPolarHBondContact O-CD2 3.1Å; P267-F270 PolarHBondContact O-N 3.01Å; K268-F270 PolarHBondContact O-N 3.35Å
271F97.9Very high95.5Very high89 Ų8958.1 Ų58.139%0.3929%0.294SS..G310 helixtrans-105.911.2-175.9-60.6-87.5000113.6L226 Y229 P230 K268 A269 G273 A274L226-F271 WeakPolarHBondContact O-CE1 3.43Å; Y229-F271 HydrophobicContact CD1-CD1 4.4Å; P230-F271 HydrophobicContact CG-CE1 4.02Å; P230-F271 HydrophobicContact CG-CE2 4.14Å; P230-F271 HydrophobicContact CG-CZ 3.65Å; K268-F271 PolarHBondContact O-N 3.38Å; A269-F271 PolarHBondContact O-N 2.96Å; A269-F271 VanDerWaalsContact O-N 3.14Å; F271-G273 PolarHBondContact O-N 3.48Å; F271-A274 HydrophobicContact CB-CB 4.15Å; F271-A274 WeakPolarHBondContact O-CB 3.47Å; F271-A274 PolarHBondContact O-N 3.44Å
272K95.6Very high95Very high55 Ų5561.7 Ų61.724%0.23931%0.312CS..THydrogen-bonded Turntrans-60123.1174.5-76174.8-178.8160.20110.4L36 H40 Y229 E265 A269 A274L36-K272 WeakPolarHBondContact O-CB 3.36Å; H40-K272 PolarHBondContact CE1-NZ 2.95Å; H40-K272 PolarHBondContact NE2-NZ 2.85Å; Y229-K272 WeakPolarHBondContact CE1-O 3.39Å; Y229-K272 PolarHBondContact OH-O 2.9Å; E265-K272 IonicContact OE2-NZ 2.8Å; E265-K272 PolarHBondContact OE2-NZ 3.34Å; A269-K272 PolarHBondContact O-N 3.41Å; K272-A274 VanDerWaalsContact C-N 3.33Å
273G95.4Very high94.5Very high9 Ų960.7 Ų60.79%0.09331%0.306CS..THydrogen-bonded Turntrans82.3-0-175.200000115.2Y229 F271 W275 S276 N277Y229-G273 PolarHBondContact OH-O 2.79Å; F271-G273 PolarHBondContact O-N 3.48Å; G273-W275 VanDerWaalsContact C-N 3.28Å; G273-W275 PolarHBondContact O-N 3.24Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.03Å; G273-N277 PolarHBondContact O-N 3.41Å
274A96.3Very high94Very high8 Ų853 Ų537%0.06628%0.275CS..Hα-helixtrans-57.7-41.5-178.500000112.2L226 Y229 F271 K272 N277 V278L226-A274 HydrophobicContact CD2-CB 3.89Å; Y229-A274 HydrophobicContact CD1-CB 3.91Å; Y229-A274 HydrophobicContact CD2-CB 4.23Å; Y229-A274 HydrophobicContact CE1-CB 3.85Å; Y229-A274 HydrophobicContact CE2-CB 4.17Å; Y229-A274 HydrophobicContact CG-CB 4.11Å; Y229-A274 VanDerWaalsContact CZ-CA 3.47Å; Y229-A274 PolarHBondContact OH-N 2.87Å; F271-A274 HydrophobicContact CB-CB 4.15Å; F271-A274 WeakPolarHBondContact O-CB 3.47Å; F271-A274 PolarHBondContact O-N 3.44Å; K272-A274 VanDerWaalsContact C-N 3.33Å; A274-N277 VanDerWaalsContact O-CB 3.32Å; A274-N277 WeakPolarHBondContact O-CB 3.4Å; A274-N277 PolarHBondContact O-N 3.49Å; A274-N277 VanDerWaalsContact O-N 3.13Å; A274-V278 PolarHBondContact O-N 2.88Å
275W95.3Very high93.5Very high159 Ų15948.9 Ų48.960%0.60226%0.257SS*.Hα-helixtrans-64-41.9175.5-173.1-127.4000112.7I54 G273 N277 V278 L279I54-W275 HydrophobicContact CD1-CB 4.21Å; I54-W275 HydrophobicContact CD1-CG 4.25Å; G273-W275 VanDerWaalsContact C-N 3.28Å; G273-W275 PolarHBondContact O-N 3.24Å; W275-N277 PolarHBondContact O-N 2.89Å; W275-V278 HydrophobicContact CE3-CB 4.03Å; W275-V278 HydrophobicContact CE3-CG1 4.23Å; W275-V278 HydrophobicContact CE3-CG2 4.4Å; W275-V278 HydrophobicContact CZ3-CB 4.18Å; W275-V278 HydrophobicContact CZ3-CG1 3.85Å; W275-V278 PolarHBondContact O-N 3.24Å; W275-V278 VanDerWaalsContact O-N 3.12Å; W275-L279 HydrophobicContact CD2-CG 4.48Å; W275-L279 HydrophobicContact CZ2-CD2 3.98Å; W275-L279 HydrophobicContact CZ2-CG 4.39Å; W275-L279 WeakPolarHBondContact O-CG 3.41Å; W275-L279 PolarHBondContact O-N 3.18Å
276S95.7Very high92.9Very high0 Ų052.4 Ų52.40%027%0.271CS..Hα-helixtrans-59.3-35.6172.3-530000112.2I29 I54 G273 R280I29-S276 WeakPolarHBondContact CG1-O 3.42Å; I54-S276 WeakPolarHBondContact CD1-OG 3.38Å; I54-S276 WeakPolarHBondContact CG1-OG 3.35Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.03Å; S276-R280 WeakPolarHBondContact O-CB 3Å; S276-R280 PolarHBondContact O-N 2.9Å
277N94.9Very high92.3Very high26 Ų2652.9 Ų52.914%0.13927%0.27CS..Hα-helixtrans-67.1-38.2175.5-176.575.2000112.7K33 Y229 G273 A274 W275 R280 G281K33-N277 HydrophobicContact CD-CB 3.84Å; K33-N277 HydrophobicContact CG-CB 4.28Å; K33-N277 PolarHBondContact NZ-OD1 2.81Å; Y229-N277 HydrophobicContact CD2-CB 4.49Å; Y229-N277 HydrophobicContact CE2-CB 3.69Å; G273-N277 PolarHBondContact O-N 3.41Å; A274-N277 VanDerWaalsContact O-CB 3.32Å; A274-N277 WeakPolarHBondContact O-CB 3.4Å; A274-N277 PolarHBondContact O-N 3.49Å; A274-N277 VanDerWaalsContact O-N 3.13Å; W275-N277 PolarHBondContact O-N 2.89Å; N277-R280 PolarHBondContact OD1-NH2 3.41Å; N277-G281 PolarHBondContact O-N 2.98Å; N277-G281 VanDerWaalsContact O-N 3.08Å
278V94.5Very high91.7Very high21 Ų2151.6 Ų51.613%0.12726%0.258CS..Hα-helixtrans-65-51.2174.7175.40000110.3A222 A274 W275 R280 G281 M282A222-V278 HydrophobicContact CB-CG1 4.38Å; A222-V278 HydrophobicContact CB-CG2 4.39Å; A274-V278 PolarHBondContact O-N 2.88Å; W275-V278 HydrophobicContact CE3-CB 4.03Å; W275-V278 HydrophobicContact CE3-CG1 4.23Å; W275-V278 HydrophobicContact CE3-CG2 4.4Å; W275-V278 HydrophobicContact CZ3-CB 4.18Å; W275-V278 HydrophobicContact CZ3-CG1 3.85Å; W275-V278 PolarHBondContact O-N 3.24Å; W275-V278 VanDerWaalsContact O-N 3.12Å; V278-R280 VanDerWaalsContact C-N 3.28Å; V278-R280 PolarHBondContact O-N 3.35Å; V278-G281 WeakPolarHBondContact O-CA 3.47Å; V278-G281 PolarHBondContact O-N 3.23Å; V278-M282 HydrophobicContact CG1-SD 4.09Å; V278-M282 PolarHBondContact O-N 3.49Å
279L92.9Very high90.8Very high63 Ų6346.5 Ų46.533%0.3324%0.242SC..Hα-helixtrans-56.9-41.2177.5-68.7176.7000112.2I29 W275 G281 M282 G283I29-L279 HydrophobicContact CD1-CD1 4.38Å; I29-L279 HydrophobicContact CG1-CB 4.17Å; W275-L279 HydrophobicContact CD2-CG 4.48Å; W275-L279 HydrophobicContact CZ2-CD2 3.98Å; W275-L279 HydrophobicContact CZ2-CG 4.39Å; W275-L279 WeakPolarHBondContact O-CG 3.41Å; W275-L279 PolarHBondContact O-N 3.18Å; L279-G281 VanDerWaalsContact C-N 3.34Å; L279-G281 PolarHBondContact O-N 3.42Å; L279-M282 PolarHBondContact O-N 2.88Å; L279-G283 PolarHBondContact O-N 2.91Å
280R92.5Very high89.9Confident69 Ų6950 Ų5026%0.2626%0.26SS..Hα-helixtrans-59.8-43.5173.3-177-170.562.570.15.2112.2V26 I29 E30 S276 N277 V278 G284V26-R280 HydrophobicContact CB-CG 3.92Å; V26-R280 HydrophobicContact CG2-CG 3.68Å; I29-R280 HydrophobicContact CG2-CB 3.86Å; I29-R280 HydrophobicContact CG2-CG 4.27Å; E30-R280 VanDerWaalsContact CD-CD 3.49Å; E30-R280 WeakPolarHBondContact OE2-CD 3.05Å; E30-R280 IonicContact OE2-NE 2.73Å; E30-R280 PolarHBondContact OE2-NE 2.92Å; S276-R280 WeakPolarHBondContact O-CB 3Å; S276-R280 PolarHBondContact O-N 2.9Å; N277-R280 PolarHBondContact OD1-NH2 3.41Å; V278-R280 VanDerWaalsContact C-N 3.28Å; V278-R280 PolarHBondContact O-N 3.35Å; R280-G284 PolarHBondContact O-N 2.98Å
281G88.9Confident88.9Confident25 Ų2552.2 Ų52.226%0.25827%0.268SS..Hα-helixtrans-60-48.3178.500000111.7N277 V278 L279 G284 A285N277-G281 PolarHBondContact O-N 2.98Å; N277-G281 VanDerWaalsContact O-N 3.08Å; V278-G281 WeakPolarHBondContact O-CA 3.47Å; V278-G281 PolarHBondContact O-N 3.23Å; L279-G281 VanDerWaalsContact C-N 3.34Å; L279-G281 PolarHBondContact O-N 3.42Å; G281-G284 PolarHBondContact O-N 2.91Å; G281-A285 PolarHBondContact O-N 3.11Å; G281-A285 VanDerWaalsContact O-N 3.12Å
282M88.6Confident88Confident76 Ų7652.4 Ų52.437%0.37427%0.273SS..Hα-helixtrans-62.2-49.2177.7-64.8172.768.500111.8V278 L279 G284 A285 F286V278-M282 HydrophobicContact CG1-SD 4.09Å; V278-M282 PolarHBondContact O-N 3.49Å; L279-M282 PolarHBondContact O-N 2.88Å; M282-G284 VanDerWaalsContact C-N 3.31Å; M282-G284 PolarHBondContact O-N 2.82Å; M282-A285 PolarHBondContact O-N 2.94Å; M282-F286 WeakPolarHBondContact O-CB 3.48Å; M282-F286 PolarHBondContact O-N 3.34Å
283G87.2Confident87.1Confident25 Ų2553.9 Ų53.926%0.25828%0.281SS..Hα-helixtrans-62-38.1178.800000112.8L279 F286 V287L279-G283 PolarHBondContact O-N 2.91Å; G283-F286 PolarHBondContact O-N 3.34Å; G283-V287 VanDerWaalsContact O-CG2 3.28Å; G283-V287 WeakPolarHBondContact O-CG2 3.46Å; G283-V287 PolarHBondContact O-N 3.06Å
284G85.2Confident86.2Confident11 Ų1158.5 Ų58.511%0.11330%0.303CS..Hα-helixtrans-66-41.4178.400000112.2S22 R280 G281 M282 L288S22-G284 PolarHBondContact OG-O 2.97Å; R280-G284 PolarHBondContact O-N 2.98Å; G281-G284 PolarHBondContact O-N 2.91Å; M282-G284 VanDerWaalsContact C-N 3.31Å; M282-G284 PolarHBondContact O-N 2.82Å; G284-L288 WeakPolarHBondContact O-CG 3.48Å; G284-L288 PolarHBondContact O-N 3.06Å
285A84.7Confident85.2Confident24 Ų2463.7 Ų63.720%0.19832%0.324CS..Hα-helixtrans-65.6-43.9175.300000111.7G281 M282 V287 L288 V289G281-A285 PolarHBondContact O-N 3.11Å; G281-A285 VanDerWaalsContact O-N 3.12Å; M282-A285 PolarHBondContact O-N 2.94Å; A285-V287 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 3.44Å; A285-V289 WeakPolarHBondContact O-CG2 3.45Å; A285-V289 PolarHBondContact O-N 3.38Å
286F83.9Confident84.3Confident121 Ų12162.8 Ų62.853%0.53132%0.324SS..Hα-helixtrans-59.3-45.3177.5-178.9-108.9000112.3M282 G283 L288 V289 L290M282-F286 WeakPolarHBondContact O-CB 3.48Å; M282-F286 PolarHBondContact O-N 3.34Å; G283-F286 PolarHBondContact O-N 3.34Å; F286-L288 VanDerWaalsContact C-N 3.32Å; F286-L288 PolarHBondContact O-N 3.46Å; F286-V289 PolarHBondContact O-N 3.49Å; F286-L290 HydrophobicContact CD1-CD1 3.84Å; F286-L290 HydrophobicContact CD1-CG 4.39Å; F286-L290 HydrophobicContact CE1-CD1 3.3Å; F286-L290 HydrophobicContact CE1-CG 4.04Å; F286-L290 HydrophobicContact CE2-CD1 4.39Å; F286-L290 HydrophobicContact CE2-CD2 4.43Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.62Å; F286-L290 HydrophobicContact CZ-CD2 4.16Å; F286-L290 HydrophobicContact CZ-CG 3.98Å; F286-L290 WeakPolarHBondContact O-CG 3.42Å; F286-L290 PolarHBondContact O-N 2.88Å
287V83.4Confident83.5Confident30 Ų3071.3 Ų71.318%0.18236%0.361CS..Hα-helixtrans-63.3-37.6178.5173.60000112.1I21 A25 G283 A285 Y291I21-V287 HydrophobicContact CG2-CG1 4.16Å; A25-V287 HydrophobicContact CB-CG2 3.94Å; G283-V287 VanDerWaalsContact O-CG2 3.28Å; G283-V287 WeakPolarHBondContact O-CG2 3.46Å; G283-V287 PolarHBondContact O-N 3.06Å; A285-V287 PolarHBondContact O-N 3.48Å; V287-Y291 WeakPolarHBondContact O-CB 3.48Å; V287-Y291 PolarHBondContact O-N 3.2Å
288L81.8Confident82.4Confident72 Ų7278.2 Ų78.238%0.37740%0.404SS..Hα-helixtrans-67.5-42.5176.7-69.6173.5000111.7A18 G284 A285 F286 L290 Y291 D292A18-L288 HydrophobicContact CB-CD2 4.33Å; G284-L288 WeakPolarHBondContact O-CG 3.48Å; G284-L288 PolarHBondContact O-N 3.06Å; A285-L288 PolarHBondContact O-N 3.44Å; F286-L288 VanDerWaalsContact C-N 3.32Å; F286-L288 PolarHBondContact O-N 3.46Å; L288-L290 PolarHBondContact O-N 2.8Å; L288-Y291 WeakPolarHBondContact O-CB 3.32Å; L288-Y291 PolarHBondContact O-N 3.36Å; L288-D292 PolarHBondContact O-N 3.15Å
289V78.9Confident81.7Confident74 Ų7481.1 Ų81.145%0.44842%0.418SS..Hα-helixtrans-61.3-45.1175.5172.60000110.9A285 F286 Y291 D292 E293A285-V289 WeakPolarHBondContact O-CG2 3.45Å; A285-V289 PolarHBondContact O-N 3.38Å; F286-V289 PolarHBondContact O-N 3.49Å; V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 PolarHBondContact O-N 3.15Å; V289-D292 PolarHBondContact O-N 3.29Å; V289-E293 WeakPolarHBondContact O-CB 3.34Å; V289-E293 PolarHBondContact O-N 2.92Å
290L77.2Confident81.2Confident76 Ų7682.1 Ų82.140%0.39842%0.423SS..Hα-helixtrans-61-40.7175.7-73.5-178.9000112.5F286 L288 E293 I294F286-L290 HydrophobicContact CD1-CD1 3.84Å; F286-L290 HydrophobicContact CD1-CG 4.39Å; F286-L290 HydrophobicContact CE1-CD1 3.3Å; F286-L290 HydrophobicContact CE1-CG 4.04Å; F286-L290 HydrophobicContact CE2-CD1 4.39Å; F286-L290 HydrophobicContact CE2-CD2 4.43Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.62Å; F286-L290 HydrophobicContact CZ-CD2 4.16Å; F286-L290 HydrophobicContact CZ-CG 3.98Å; F286-L290 WeakPolarHBondContact O-CG 3.42Å; F286-L290 PolarHBondContact O-N 2.88Å; L288-L290 PolarHBondContact O-N 2.8Å; L290-E293 PolarHBondContact O-N 3.35Å; L290-I294 WeakPolarHBondContact O-CB 3.4Å; L290-I294 VanDerWaalsContact O-CG1 3.24Å; L290-I294 WeakPolarHBondContact O-CG1 3.24Å; L290-I294 PolarHBondContact O-N 2.9Å
291Y77Confident80.5Confident64 Ų6482.8 Ų82.825%0.25143%0.432SS..Hα-helixtrans-61.7-46.1176.6175.9-93.3000111.7A18 V287 L288 V289 E293 I294 K295A18-Y291 HydrophobicContact CB-CD1 3.91Å; A18-Y291 HydrophobicContact CB-CE1 3.76Å; A18-Y291 HydrophobicContact CB-CE2 4.39Å; A18-Y291 HydrophobicContact CB-CG 4.28Å; V287-Y291 WeakPolarHBondContact O-CB 3.48Å; V287-Y291 PolarHBondContact O-N 3.2Å; L288-Y291 WeakPolarHBondContact O-CB 3.32Å; L288-Y291 PolarHBondContact O-N 3.36Å; V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 PolarHBondContact O-N 3.15Å; Y291-E293 VanDerWaalsContact C-N 3.27Å; Y291-E293 PolarHBondContact O-N 2.94Å; Y291-I294 PolarHBondContact O-N 2.92Å; Y291-K295 HydrophobicContact CE1-CD 4.45Å; Y291-K295 WeakPolarHBondContact O-CB 3.36Å; Y291-K295 PolarHBondContact O-N 3.28Å
292D77.9Confident80Confident93 Ų9386.2 Ų86.250%0.49744%0.442SS..Hα-helixtrans-63.2-36.8177.2-70.4-22.2000111.4L288 V289 K295 K296L288-D292 PolarHBondContact O-N 3.15Å; V289-D292 PolarHBondContact O-N 3.29Å; D292-K295 PolarHBondContact O-N 3.46Å; D292-K296 PolarHBondContact O-N 2.94Å
293E77.5Confident79.5Confident85 Ų8586.8 Ų86.840%0.39745%0.446SS..Hα-helixtrans-69.5-43.6177.6-142.263-165.300112V289 L290 Y291 K295 K296 F297V289-E293 WeakPolarHBondContact O-CB 3.34Å; V289-E293 PolarHBondContact O-N 2.92Å; L290-E293 PolarHBondContact O-N 3.35Å; Y291-E293 VanDerWaalsContact C-N 3.27Å; Y291-E293 PolarHBondContact O-N 2.94Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.34Å; E293-K296 WeakPolarHBondContact O-CB 3.46Å; E293-K296 PolarHBondContact O-N 2.93Å; E293-K296 VanDerWaalsContact O-N 3.16Å; E293-K296 IonicContact OE1-NZ 3.03Å; E293-K296 PolarHBondContact OE1-NZ 3.15Å; E293-K296 WeakPolarHBondContact OE2-CE 3.25Å; E293-K296 IonicContact OE2-NZ 3.11Å; E293-K296 PolarHBondContact OE2-NZ 3.17Å; E293-F297 WeakPolarHBondContact O-CD2 3.37Å; E293-F297 WeakPolarHBondContact O-CE2 3.48Å
294I76Confident79Confident107 Ų10790.9 Ų90.955%0.54946%0.459SS..Hα-helixtrans-61.5-40.3174.6-69164.5000110.6L290 Y291 K296 F297L290-I294 WeakPolarHBondContact O-CB 3.4Å; L290-I294 VanDerWaalsContact O-CG1 3.24Å; L290-I294 WeakPolarHBondContact O-CG1 3.24Å; L290-I294 PolarHBondContact O-N 2.9Å; Y291-I294 PolarHBondContact O-N 2.92Å; I294-K296 PolarHBondContact O-N 3.2Å; I294-F297 PolarHBondContact O-N 2.77Å
295K75.7Confident78.6Confident117 Ų11796.6 Ų96.651%0.50948%0.483SS..Hα-helixtrans-61.6-22.6178.3-171.5-179.9175.8-171.80113Y291 D292 E293 F297Y291-K295 HydrophobicContact CE1-CD 4.45Å; Y291-K295 WeakPolarHBondContact O-CB 3.36Å; Y291-K295 PolarHBondContact O-N 3.28Å; D292-K295 PolarHBondContact O-N 3.46Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.34Å; K295-F297 PolarHBondContact O-N 3.45Å
296K76.6Confident78.1Confident140 Ų140102.2 Ų102.261%0.60951%0.505SS*.THydrogen-bonded Turntrans-70.8-19.5173.9-66170.4-178.2167.90113.2D292 E293 I294D292-K296 PolarHBondContact O-N 2.94Å; E293-K296 WeakPolarHBondContact O-CB 3.46Å; E293-K296 PolarHBondContact O-N 2.93Å; E293-K296 VanDerWaalsContact O-N 3.16Å; E293-K296 IonicContact OE1-NZ 3.03Å; E293-K296 PolarHBondContact OE1-NZ 3.15Å; E293-K296 WeakPolarHBondContact OE2-CE 3.25Å; E293-K296 IonicContact OE2-NZ 3.11Å; E293-K296 PolarHBondContact OE2-NZ 3.17Å; I294-K296 PolarHBondContact O-N 3.2Å
297F78.1Confident77.6Confident178 Ų178100.7 Ų100.778%0.78150%0.503SS*.THydrogen-bonded Turntrans-99.7-1.6-177.8-61.8-80.5000113.8E293 I294 K295E293-F297 WeakPolarHBondContact O-CD2 3.37Å; E293-F297 WeakPolarHBondContact O-CE2 3.48Å; I294-F297 PolarHBondContact O-N 2.77Å; K295-F297 PolarHBondContact O-N 3.45Å
298V71.1Confident77.1Confident172 Ų172107.1 Ų107.1100%1.04253%0.533SS*.  trans-116.60178.9-176.10000109.3

Retrieved 298 of 298 residues in 71.8 ms (Link to these results)

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