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26S proteasome non-ATPase regulatory subunit 6

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A060W5I1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene psd6, Length 389 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
1M35.7Very low44.6Very low222 Ų222109.4 Ų109.4100%1.09456%0.559SS**  0130.70-74.9175.9-109.900106.3
2P35.2Very low46.2Very low83 Ų83105.1 Ų105.154%0.53954%0.544SS..  trans-61.9141.8-176.525.7-31.6000110.2E4 N5P2-E4 HydrophobicContact CB-CB 4.4Å; P2-E4 PolarHBondContact O-N 2.73Å; P2-N5 PolarHBondContact O-N 3Å
3L41.9Very low47.7Very low127 Ų127103.5 Ų103.567%0.66553%0.531SS*.G310 helixtrans-54.1-13.9174.8-84.4143.2000113.3N5L3-N5 VanDerWaalsContact C-N 3.32Å; L3-N5 PolarHBondContact O-N 3.47Å
4E39.2Very low48.8Very low147 Ų14798.6 Ų98.669%0.68751%0.506SS*.G310 helixtrans-68-23.2-179.3-65.3171.5167.600113.6P2 L6P2-E4 HydrophobicContact CB-CB 4.4Å; P2-E4 PolarHBondContact O-N 2.73Å; E4-L6 VanDerWaalsContact C-N 3.28Å; E4-L6 PolarHBondContact O-N 3.37Å
5N35.9Very low49.8Very low100 Ų10092.6 Ų92.654%0.53548%0.476SS..G310 helixtrans-74.5-12.2179.5-99.625000114.7P2 L3P2-N5 PolarHBondContact O-N 3Å; L3-N5 VanDerWaalsContact C-N 3.32Å; L3-N5 PolarHBondContact O-N 3.47Å
6L43.9Very low51Low65 Ų6589 Ų8934%0.3446%0.458SS..G310 helixtrans-84.4-24.1-178.2-75.8149.4000112.8E4 E8 E9 Y211E4-L6 VanDerWaalsContact C-N 3.28Å; E4-L6 PolarHBondContact O-N 3.37Å; L6-E8 PolarHBondContact O-N 3.36Å; L6-E9 PolarHBondContact O-N 3.11Å; L6-Y211 HydrophobicContact CB-CE2 3.79Å; L6-Y211 VanDerWaalsContact CB-OH 3.24Å; L6-Y211 WeakPolarHBondContact CB-OH 3.27Å; L6-Y211 WeakPolarHBondContact O-CD2 3.5Å; L6-Y211 WeakPolarHBondContact O-CE2 3.47Å
7E45Very low52.2Low118 Ų11884.4 Ų84.455%0.55143%0.434SS*.G310 helixtrans-68.4-24.4178.9-65.2-171.9173.900112.4Y211E7-Y211 HydrophobicContact CG-CD1 4.26Å; E7-Y211 HydrophobicContact CG-CE1 4.46Å
8E46.3Very low53.4Low163 Ų16387.6 Ų87.676%0.76244%0.44SS*.G310 helixtrans-76.4-18.1178.5-63.3-171.416300113.5L6 G10L6-E8 PolarHBondContact O-N 3.36Å; E8-G10 VanDerWaalsContact C-N 3.31Å
9E51.6Low54.5Low122 Ų12283 Ų8357%0.5742%0.417SS*.G310 helixtrans-86.1-1.5178.6-66.7-174.1161.200113.5L6 R179L6-E9 PolarHBondContact O-N 3.11Å; E9-R179 PolarHBondContact O-NH2 3.01Å
10G55.2Low55.4Low23 Ų2379.4 Ų79.424%0.23740%0.4CS..SBendtrans-73146.3177.700000113.1E8E8-G10 VanDerWaalsContact C-N 3.31Å
11L60.8Low56.4Low33 Ų3379 Ų7917%0.17340%0.397CS..PPolyproline II helixtrans-60.5160.1167.6-80.3168.2000111.3K13 R179 E212L11-K13 PolarHBondContact O-N 2.97Å; L11-R179 VanDerWaalsContact CD1-NH1 3.35Å; L11-R179 VanDerWaalsContact CG-NH1 3.29Å; L11-E212 HydrophobicContact CB-CB 4.43Å; L11-E212 WeakPolarHBondContact CB-OE2 3.37Å; L11-E212 WeakPolarHBondContact CD1-OE2 3.35Å
12P63.8Low58.2Low58 Ų5869.2 Ų69.238%0.37735%0.349SS..PPolyproline II helixtrans-53.4132.7175.6-20.830.2000110.8N14 Y143 R146P12-N14 PolarHBondContact O-N 3.48Å; P12-Y143 WeakPolarHBondContact CG-OH 3.34Å; P12-R146 PolarHBondContact O-NH1 3.02Å
13K65.6Low60.2Low85 Ų8567.4 Ų67.437%0.3733%0.333SS..  trans-74.155.4178.7-66.5179.1-179.9169.50112L11 D16L11-K13 PolarHBondContact O-N 2.97Å; K13-D16 PolarHBondContact O-N 2.97Å
14N63.6Low62Low34 Ų3464 Ų6418%0.18231%0.313CS..  trans-125.4111.9-179.6-68.7-27.6000108.9P12 I112 Y143 R146P12-N14 PolarHBondContact O-N 3.48Å; N14-I112 HydrophobicContact CB-CG2 4.37Å; N14-Y143 HydrophobicContact CB-CE1 4.35Å; N14-Y143 VanDerWaalsContact O-CD1 3.25Å; N14-Y143 WeakPolarHBondContact O-CD1 3.36Å; N14-Y143 WeakPolarHBondContact O-CE1 3.49Å; N14-R146 PolarHBondContact O-NH1 3.46Å
15P63Low63.8Low9 Ų958.3 Ų58.36%0.05829%0.287CS..SBendcis-79.8144.2-4.121.3-13.6000112.8L17 I112 R146 I147 F150P15-L17 PolarHBondContact O-N 3.01Å; P15-I112 HydrophobicContact CB-CG2 3.56Å; P15-I112 HydrophobicContact CG-CG2 3.55Å; P15-I112 VanDerWaalsContact N-CG2 3.31Å; P15-R146 HydrophobicContact CG-CB 4.37Å; P15-I147 HydrophobicContact CG-CG1 4.26Å; P15-F150 HydrophobicContact CB-CD2 4.46Å
16D69.6Low65.5Low35 Ų3553.7 Ų53.719%0.18726%0.262CS..  trans-72.3113.6177.8-171.9-1.8000110.9K13 R18 I19K13-D16 PolarHBondContact O-N 2.97Å; D16-R18 PolarHBondContact O-N 2.82Å; D16-R18 VanDerWaalsContact OD1-CB 3.27Å; D16-R18 WeakPolarHBondContact OD1-CB 3.37Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 PolarHBondContact OD1-N 2.76Å; D16-I19 HydrophobicContact CB-CD1 3.89Å; D16-I19 HydrophobicContact CB-CG1 3.99Å; D16-I19 WeakPolarHBondContact O-CB 3.49Å; D16-I19 PolarHBondContact O-N 3.35Å
17L71.1Confident67Low11 Ų1154.2 Ų54.26%0.05827%0.268CS..Hα-helixtrans-66.2-25.2177.8-69.1-172.5000112.3P15 I19 A20 Q21 F150 L213 W286P15-L17 PolarHBondContact O-N 3.01Å; L17-I19 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.23Å; L17-Q21 PolarHBondContact O-N 3.24Å; L17-F150 HydrophobicContact CD2-CB 4.07Å; L17-F150 HydrophobicContact CD2-CD2 4.25Å; L17-L213 HydrophobicContact CD1-CD2 3.36Å; L17-W286 HydrophobicContact CB-CH2 3.53Å; L17-W286 HydrophobicContact CB-CZ2 3.9Å; L17-W286 HydrophobicContact CD1-CZ2 4.43Å; L17-W286 HydrophobicContact CD2-CH2 3.8Å; L17-W286 HydrophobicContact CD2-CZ2 4.37Å; L17-W286 HydrophobicContact CG-CH2 4.12Å; L17-W286 HydrophobicContact CG-CZ2 4.46Å; L17-W286 WeakPolarHBondContact O-CH2 3.17Å; L17-W286 WeakPolarHBondContact O-CZ3 3.37Å
18R73.5Confident68.3Low141 Ų14150.2 Ų50.253%0.53225%0.25SS..Hα-helixtrans-59.9-34.8175.8-62.4177.3-179-168.7-0.3111.7D16 A20 Q21 L22D16-R18 PolarHBondContact O-N 2.82Å; D16-R18 VanDerWaalsContact OD1-CB 3.27Å; D16-R18 WeakPolarHBondContact OD1-CB 3.37Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 PolarHBondContact OD1-N 2.76Å; R18-A20 VanDerWaalsContact C-N 3.35Å; R18-A20 PolarHBondContact O-N 3.32Å; R18-Q21 WeakPolarHBondContact O-CB 3.46Å; R18-Q21 PolarHBondContact O-N 3.43Å; R18-Q21 VanDerWaalsContact O-N 3.13Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 2.8Å
19I74.6Confident69.1Low1 Ų149 Ų491%0.00525%0.248CC..Hα-helixtrans-61.3-43-179.3-64.6179000111.4D16 L17 L22 K23 L41 M50 Y53 F150D16-I19 HydrophobicContact CB-CD1 3.89Å; D16-I19 HydrophobicContact CB-CG1 3.99Å; D16-I19 WeakPolarHBondContact O-CB 3.49Å; D16-I19 PolarHBondContact O-N 3.35Å; L17-I19 PolarHBondContact O-N 3.4Å; I19-L22 PolarHBondContact O-N 3.36Å; I19-K23 PolarHBondContact O-N 3.01Å; I19-L41 HydrophobicContact CG2-CD1 3.77Å; I19-M50 HydrophobicContact CD1-CE 4.22Å; I19-M50 HydrophobicContact CD1-SD 3.61Å; I19-Y53 HydrophobicContact CG2-CD1 4.31Å; I19-Y53 HydrophobicContact CG2-CE1 3.47Å; I19-Y53 VanDerWaalsContact CG2-CE1 3.47Å; I19-F150 HydrophobicContact CB-CE2 4.38Å
20A72.9Confident69.5Low10 Ų1046.5 Ų46.58%0.08326%0.256CS..Hα-helixtrans-80.3-19.6178.300000112.5L17 R18 K23 F24 F150 W286L17-A20 PolarHBondContact O-N 3.23Å; R18-A20 VanDerWaalsContact C-N 3.35Å; R18-A20 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 3.31Å; A20-F24 WeakPolarHBondContact O-CB 3.29Å; A20-F24 PolarHBondContact O-N 3.31Å; A20-F150 HydrophobicContact CB-CD2 3.71Å; A20-F150 HydrophobicContact CB-CE1 4.48Å; A20-F150 HydrophobicContact CB-CE2 3.38Å; A20-F150 HydrophobicContact CB-CG 4.4Å; A20-F150 HydrophobicContact CB-CZ 3.82Å; A20-W286 HydrophobicContact CB-CE3 3.88Å; A20-W286 HydrophobicContact CB-CH2 4.36Å; A20-W286 HydrophobicContact CB-CZ3 3.3Å
21Q75.9Confident69.7Low72 Ų7248 Ų4834%0.33626%0.256SS..Hα-helixtrans-65.7-45166.4-174.9-178.73.300110.6L17 R18 K23 F24 L25 W286L17-Q21 PolarHBondContact O-N 3.24Å; R18-Q21 WeakPolarHBondContact O-CB 3.46Å; R18-Q21 PolarHBondContact O-N 3.43Å; R18-Q21 VanDerWaalsContact O-N 3.13Å; Q21-K23 PolarHBondContact O-N 3.4Å; Q21-F24 WeakPolarHBondContact O-CB 3.32Å; Q21-F24 PolarHBondContact O-N 3.45Å; Q21-F24 VanDerWaalsContact O-N 3.16Å; Q21-L25 WeakPolarHBondContact O-CG 3.24Å; Q21-L25 PolarHBondContact O-N 3.38Å; Q21-W286 HydrophobicContact CB-CD2 4.19Å; Q21-W286 HydrophobicContact CB-CE3 4.08Å; Q21-W286 HydrophobicContact CB-CZ3 4.42Å
22L74.3Confident69.5Low16 Ų1651.8 Ų51.88%0.08427%0.268CS..Hα-helixtrans-61.7-42.8174.5-66.5169.7000111.6R18 I19 F24 L25 L26 V37 E40 L41R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 2.8Å; I19-L22 PolarHBondContact O-N 3.36Å; L22-F24 VanDerWaalsContact C-N 3.28Å; L22-F24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-L26 WeakPolarHBondContact O-CG 3.15Å; L22-L26 PolarHBondContact O-N 3.31Å; L22-L26 VanDerWaalsContact O-N 3.14Å; L22-V37 HydrophobicContact CB-CG1 4.35Å; L22-V37 HydrophobicContact CD2-CG1 3.8Å; L22-E40 HydrophobicContact CD1-CB 4.48Å; L22-E40 HydrophobicContact CD1-CG 3.99Å; L22-L41 HydrophobicContact CB-CB 4.33Å; L22-L41 HydrophobicContact CB-CD1 4.21Å; L22-L41 HydrophobicContact CD1-CB 4.44Å
23K77.6Confident69.2Low45 Ų4557.5 Ų57.520%0.19629%0.29CS..Hα-helixtrans-56.5-44.1172.4178.9-178.2176.1175.50111.5I19 A20 Q21 L26 T27 Y53 L57 D60I19-K23 PolarHBondContact O-N 3.01Å; A20-K23 PolarHBondContact O-N 3.31Å; Q21-K23 PolarHBondContact O-N 3.4Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-N 2.79Å; K23-T27 PolarHBondContact O-OG1 2.94Å; K23-Y53 VanDerWaalsContact CD-OH 3.27Å; K23-Y53 WeakPolarHBondContact CD-OH 3.25Å; K23-L57 HydrophobicContact CB-CD1 4.15Å; K23-L57 HydrophobicContact CD-CD1 4.05Å; K23-L57 HydrophobicContact CG-CD1 3.92Å; K23-D60 VanDerWaalsContact CE-OD2 3.31Å; K23-D60 WeakPolarHBondContact CE-OD2 3.5Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 3.11Å
24F78.1Confident69.4Low56 Ų5656.6 Ų56.625%0.24629%0.289CS..Hα-helixtrans-64.9-44.7-179.2-178.1-107.5000112.2A20 Q21 L22 L26 T27 M28 W286 A289A20-F24 WeakPolarHBondContact O-CB 3.29Å; A20-F24 PolarHBondContact O-N 3.31Å; Q21-F24 WeakPolarHBondContact O-CB 3.32Å; Q21-F24 PolarHBondContact O-N 3.45Å; Q21-F24 VanDerWaalsContact O-N 3.16Å; L22-F24 VanDerWaalsContact C-N 3.28Å; L22-F24 PolarHBondContact O-N 2.98Å; F24-L26 VanDerWaalsContact C-N 3.29Å; F24-L26 PolarHBondContact O-N 3.31Å; F24-T27 WeakPolarHBondContact O-CB 3.38Å; F24-T27 PolarHBondContact O-N 2.95Å; F24-M28 HydrophobicContact CD1-CE 3.44Å; F24-M28 VanDerWaalsContact CD1-CE 3.44Å; F24-M28 HydrophobicContact CE1-CE 2.88Å; F24-M28 HydrophobicContact CE2-CE 4.47Å; F24-M28 HydrophobicContact CG-CE 4.46Å; F24-M28 HydrophobicContact CZ-CE 3.47Å; F24-M28 VanDerWaalsContact CZ-CE 3.47Å; F24-M28 PolarHBondContact O-N 2.82Å; F24-W286 HydrophobicContact CB-CB 3.75Å; F24-W286 HydrophobicContact CD1-CB 3.61Å; F24-W286 HydrophobicContact CD2-CB 4.35Å; F24-W286 VanDerWaalsContact CE1-CA 3.43Å; F24-W286 HydrophobicContact CE1-CB 4.27Å; F24-W286 HydrophobicContact CG-CB 3.63Å; F24-A289 HydrophobicContact CE1-CB 3.4Å; F24-A289 HydrophobicContact CZ-CB 3.27Å
25L77.3Confident69.7Low28 Ų2860.6 Ų60.615%0.14731%0.311CS..Hα-helixtrans-56.4-43.9175.7-72.5170.9000111.9Q21 L22 T27 M28 H31 V37 K284Q21-L25 WeakPolarHBondContact O-CG 3.24Å; Q21-L25 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 2.87Å; L25-T27 PolarHBondContact O-N 3.33Å; L25-M28 WeakPolarHBondContact O-CB 3.4Å; L25-M28 PolarHBondContact O-N 3.1Å; L25-M28 VanDerWaalsContact O-N 3.14Å; L25-H31 WeakPolarHBondContact O-CB 3.36Å; L25-V37 HydrophobicContact CB-CG1 4.21Å; L25-K284 HydrophobicContact CD2-CB 3.94Å; L25-K284 HydrophobicContact CD2-CG 4.47Å; L25-K284 WeakPolarHBondContact CD2-O 3.2Å
26L73Confident70.4Confident2 Ų268.5 Ų68.51%0.0134%0.344CS..Hα-helixtrans-68.9-18.7178.3-69.1165.9000114L22 K23 F24 M28 V37 K38 L41 L61 W63L22-L26 WeakPolarHBondContact O-CG 3.15Å; L22-L26 PolarHBondContact O-N 3.31Å; L22-L26 VanDerWaalsContact O-N 3.14Å; K23-L26 PolarHBondContact O-N 3.36Å; F24-L26 VanDerWaalsContact C-N 3.29Å; F24-L26 PolarHBondContact O-N 3.31Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-V37 HydrophobicContact CD1-CG1 4.17Å; L26-V37 HydrophobicContact CD2-CB 4.14Å; L26-V37 HydrophobicContact CD2-CG1 3.94Å; L26-V37 HydrophobicContact CG-CB 4.47Å; L26-V37 HydrophobicContact CG-CG1 3.73Å; L26-K38 HydrophobicContact CD2-CB 4.35Å; L26-L41 HydrophobicContact CD1-CB 4.4Å; L26-L41 HydrophobicContact CD1-CD2 3.4Å; L26-L61 HydrophobicContact CB-CD1 4.3Å; L26-L61 HydrophobicContact CB-CD2 4.08Å; L26-L61 HydrophobicContact CD1-CD1 4.41Å; L26-W63 HydrophobicContact CD1-CH2 3.69Å; L26-W63 HydrophobicContact CD1-CZ2 4.09Å; L26-W63 HydrophobicContact CD2-CZ2 4.29Å
27T74.3Confident70.7Confident77 Ų7767.9 Ų67.947%0.47234%0.342SS..Hα-helixtrans-78.3-21.3175.4-52.60000111.5K23 F24 L25K23-T27 PolarHBondContact O-N 2.79Å; K23-T27 PolarHBondContact O-OG1 2.94Å; F24-T27 WeakPolarHBondContact O-CB 3.38Å; F24-T27 PolarHBondContact O-N 2.95Å; L25-T27 PolarHBondContact O-N 3.33Å
28M72.9Confident71Confident34 Ų3471.3 Ų71.317%0.16736%0.356CS..SBendtrans-77.7131.7178.7-67.2-173.1-155.800112.5F24 L25 L26 G30 H31 R32 K283F24-M28 HydrophobicContact CD1-CE 3.44Å; F24-M28 VanDerWaalsContact CD1-CE 3.44Å; F24-M28 HydrophobicContact CE1-CE 2.88Å; F24-M28 HydrophobicContact CE2-CE 4.47Å; F24-M28 HydrophobicContact CG-CE 4.46Å; F24-M28 HydrophobicContact CZ-CE 3.47Å; F24-M28 VanDerWaalsContact CZ-CE 3.47Å; F24-M28 PolarHBondContact O-N 2.82Å; L25-M28 WeakPolarHBondContact O-CB 3.4Å; L25-M28 PolarHBondContact O-N 3.1Å; L25-M28 VanDerWaalsContact O-N 3.14Å; L26-M28 VanDerWaalsContact C-N 3.33Å; M28-G30 PolarHBondContact O-N 3.03Å; M28-H31 PolarHBondContact O-N 3.29Å; M28-R32 WeakPolarHBondContact O-CB 3.49Å; M28-R32 PolarHBondContact O-N 3.5Å; M28-K283 WeakPolarHBondContact CE-O 3.18Å
29D61.6Low71.3Confident136 Ų13668.2 Ų68.273%0.72735%0.353SS*.THydrogen-bonded Turntrans-57.8-23.3-178.5-66.1-45.7000114.8R32D29-R32 IonicContact OD1-NH1 3.29Å; D29-R32 PolarHBondContact OD1-NH1 2.88Å
30G61.1Low71.6Confident70 Ų7073.4 Ų73.472%0.72238%0.377SS*.THydrogen-bonded Turntrans-83.5-22.5177.100000115.5M28M28-G30 PolarHBondContact O-N 3.03Å
31H58.8Low71.9Confident55 Ų5573 Ų7326%0.25537%0.373SS..THydrogen-bonded Turntrans-118.43.3-177.5-70.4-66.7000112.4L25 M28 Q33 D34L25-H31 WeakPolarHBondContact O-CB 3.36Å; M28-H31 PolarHBondContact O-N 3.29Å; H31-Q33 PolarHBondContact O-N 2.88Å; H31-D34 IonicContact CE1-OD2 3.64Å; H31-D34 IonicContact CG-OD2 3.77Å; H31-D34 IonicContact ND1-OD2 3.8Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 PolarHBondContact O-N 3.01Å; H31-D34 VanDerWaalsContact O-N 3.08Å
32R56.4Low72Confident112 Ų11270.9 Ų70.942%0.42336%0.364SS..THydrogen-bonded Turntrans-59.1-20.5-177.5-165.2166.6-175.6162.65.2114.4M28 D29M28-R32 WeakPolarHBondContact O-CB 3.49Å; M28-R32 PolarHBondContact O-N 3.5Å; D29-R32 IonicContact OD1-NH1 3.29Å; D29-R32 PolarHBondContact OD1-NH1 2.88Å
33Q57.5Low72.4Confident178 Ų17874 Ų7483%0.83238%0.381SS*.THydrogen-bonded Turntrans-113.510.4-179.3-67.8-172-14.500113.4H31 D35H31-Q33 PolarHBondContact O-N 2.88Å; Q33-D35 PolarHBondContact O-N 2.77Å
34D70.2Confident72.2Confident66 Ų6672.9 Ų72.935%0.35338%0.379SS..  trans-71.398.7176.9-78.7-24.2000110.2H31 K36 V37 K38H31-D34 IonicContact CE1-OD2 3.64Å; H31-D34 IonicContact CG-OD2 3.77Å; H31-D34 IonicContact ND1-OD2 3.8Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 PolarHBondContact O-N 3.01Å; H31-D34 VanDerWaalsContact O-N 3.08Å; D34-K36 PolarHBondContact O-N 3.43Å; D34-K36 VanDerWaalsContact O-N 3.13Å; D34-V37 HydrophobicContact CB-CB 4.24Å; D34-V37 HydrophobicContact CB-CG2 3.89Å; D34-V37 PolarHBondContact O-N 2.7Å; D34-V37 VanDerWaalsContact O-N 3.11Å; D34-K38 PolarHBondContact O-N 2.9Å; D34-K38 VanDerWaalsContact O-N 3.13Å
35D70.9Confident72.3Confident119 Ų11970.2 Ų70.264%0.63637%0.367SS*.Hα-helixtrans-56.5-31-179.3-77.5-30.5000112.4Q33 K38 T39Q33-D35 PolarHBondContact O-N 2.77Å; D35-K38 PolarHBondContact O-N 3.03Å; D35-T39 WeakPolarHBondContact O-CG2 3.14Å; D35-T39 PolarHBondContact O-N 3.06Å; D35-T39 PolarHBondContact O-OG1 3.45Å; D35-T39 VanDerWaalsContact O-OG1 3.11Å
36K76.9Confident72.3Confident175 Ų17573.4 Ų73.476%0.76138%0.38SS*.Hα-helixtrans-64.7-45177.1-65.8-177.8179.9179.90113D34 K38 T39 E40D34-K36 PolarHBondContact O-N 3.43Å; D34-K36 VanDerWaalsContact O-N 3.13Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-T39 WeakPolarHBondContact CA-OG1 3.31Å; K36-T39 PolarHBondContact O-N 3.49Å; K36-T39 PolarHBondContact O-OG1 3.03Å; K36-E40 WeakPolarHBondContact O-CB 3.44Å; K36-E40 PolarHBondContact O-N 3.33Å
37V76Confident72.6Confident22 Ų2280.6 Ų80.613%0.13341%0.413CS..Hα-helixtrans-68.4-36.1179.1-179.70000109.6L22 L25 L26 D34 L41L22-V37 HydrophobicContact CB-CG1 4.35Å; L22-V37 HydrophobicContact CD2-CG1 3.8Å; L25-V37 HydrophobicContact CB-CG1 4.21Å; L26-V37 HydrophobicContact CD1-CG1 4.17Å; L26-V37 HydrophobicContact CD2-CB 4.14Å; L26-V37 HydrophobicContact CD2-CG1 3.94Å; L26-V37 HydrophobicContact CG-CB 4.47Å; L26-V37 HydrophobicContact CG-CG1 3.73Å; D34-V37 HydrophobicContact CB-CB 4.24Å; D34-V37 HydrophobicContact CB-CG2 3.89Å; D34-V37 PolarHBondContact O-N 2.7Å; D34-V37 VanDerWaalsContact O-N 3.11Å; V37-L41 VanDerWaalsContact O-CB 3.32Å; V37-L41 WeakPolarHBondContact O-CB 3.31Å; V37-L41 PolarHBondContact O-N 2.87Å
38K76.5Confident72.4Confident83 Ų8378.8 Ų78.836%0.36140%0.4SS..Hα-helixtrans-66.9-43.6174.4179.8172.1-178.3-170.40112.4L26 D34 D35 K36 M42 W63L26-K38 HydrophobicContact CD2-CB 4.35Å; D34-K38 PolarHBondContact O-N 2.9Å; D34-K38 VanDerWaalsContact O-N 3.13Å; D35-K38 PolarHBondContact O-N 3.03Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K38-M42 HydrophobicContact CG-CG 4.44Å; K38-M42 WeakPolarHBondContact O-CB 3.41Å; K38-M42 WeakPolarHBondContact O-CG 2.94Å; K38-M42 PolarHBondContact O-N 2.83Å; K38-W63 HydrophobicContact CB-CH2 4.18Å; K38-W63 HydrophobicContact CD-CH2 3.88Å; K38-W63 HydrophobicContact CD-CZ2 3.85Å; K38-W63 HydrophobicContact CD-CZ3 4.49Å; K38-W63 HydrophobicContact CG-CH2 3.56Å; K38-W63 HydrophobicContact CG-CZ2 4.02Å; K38-W63 HydrophobicContact CG-CZ3 4.16Å
39T80.5Confident72.4Confident76 Ų7679.6 Ų79.647%0.46641%0.406SS..Hα-helixtrans-64-45.9177.147.60000111.1D35 K36 L41 M42 D43D35-T39 WeakPolarHBondContact O-CG2 3.14Å; D35-T39 PolarHBondContact O-N 3.06Å; D35-T39 PolarHBondContact O-OG1 3.45Å; D35-T39 VanDerWaalsContact O-OG1 3.11Å; K36-T39 WeakPolarHBondContact CA-OG1 3.31Å; K36-T39 PolarHBondContact O-N 3.49Å; K36-T39 PolarHBondContact O-OG1 3.03Å; T39-L41 PolarHBondContact O-N 2.93Å; T39-M42 PolarHBondContact O-N 3.05Å; T39-M42 VanDerWaalsContact O-N 3.16Å; T39-D43 WeakPolarHBondContact O-CB 3.17Å; T39-D43 PolarHBondContact O-N 3.34Å
40E80.6Confident72.8Confident110 Ų11073.4 Ų73.451%0.51437%0.372SS..Hα-helixtrans-60.7-45.7179.3-171.2176-176.200111.5L22 K36 M42 D43 S44L22-E40 HydrophobicContact CD1-CB 4.48Å; L22-E40 HydrophobicContact CD1-CG 3.99Å; K36-E40 WeakPolarHBondContact O-CB 3.44Å; K36-E40 PolarHBondContact O-N 3.33Å; E40-M42 PolarHBondContact O-N 3.47Å; E40-D43 PolarHBondContact O-N 3.36Å; E40-S44 PolarHBondContact O-N 3.22Å; E40-S44 PolarHBondContact O-OG 2.93Å
41L79.3Confident73.3Confident0 Ų070.1 Ų70.10%034%0.338CS..Hα-helixtrans-61.9-43175.1179.265.4000112.2I19 L22 L26 V37 T39 D43 S44 I45 L57 W63I19-L41 HydrophobicContact CG2-CD1 3.77Å; L22-L41 HydrophobicContact CB-CB 4.33Å; L22-L41 HydrophobicContact CB-CD1 4.21Å; L22-L41 HydrophobicContact CD1-CB 4.44Å; L26-L41 HydrophobicContact CD1-CB 4.4Å; L26-L41 HydrophobicContact CD1-CD2 3.4Å; V37-L41 VanDerWaalsContact O-CB 3.32Å; V37-L41 WeakPolarHBondContact O-CB 3.31Å; V37-L41 PolarHBondContact O-N 2.87Å; T39-L41 PolarHBondContact O-N 2.93Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-I45 HydrophobicContact CD1-CD1 4.1Å; L41-I45 HydrophobicContact CD1-CG1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 3.86Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-L57 HydrophobicContact CD2-CD1 3.74Å; L41-L57 HydrophobicContact CD2-CD2 4.03Å; L41-W63 HydrophobicContact CD2-CH2 4.41Å
42M77.7Confident74Confident29 Ų2969.6 Ų69.614%0.14334%0.34CS..Hα-helixtrans-68.1-34.1179.9-74-62.6-61.600112.4K38 T39 E40 I45 K46 Y54 W63 L69K38-M42 HydrophobicContact CG-CG 4.44Å; K38-M42 WeakPolarHBondContact O-CB 3.41Å; K38-M42 WeakPolarHBondContact O-CG 2.94Å; K38-M42 PolarHBondContact O-N 2.83Å; T39-M42 PolarHBondContact O-N 3.05Å; T39-M42 VanDerWaalsContact O-N 3.16Å; E40-M42 PolarHBondContact O-N 3.47Å; M42-I45 PolarHBondContact O-N 3.09Å; M42-I45 HydrophobicContact SD-CD1 4.47Å; M42-K46 WeakPolarHBondContact O-CB 3.24Å; M42-K46 VanDerWaalsContact O-CG 3.23Å; M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 3.38Å; M42-Y54 HydrophobicContact CE-CE2 3.86Å; M42-Y54 HydrophobicContact SD-CD2 4.39Å; M42-Y54 HydrophobicContact SD-CE2 3.82Å; M42-W63 HydrophobicContact SD-CZ3 4.36Å; M42-L69 HydrophobicContact CE-CD2 3.85Å
43D82.3Confident74.7Confident80 Ų8064.4 Ų64.443%0.42832%0.32SS..Hα-helixtrans-69.1-44.5176.1-67.4-21.7000110.3T39 E40 L41 I45 K46 E47T39-D43 WeakPolarHBondContact O-CB 3.17Å; T39-D43 PolarHBondContact O-N 3.34Å; E40-D43 PolarHBondContact O-N 3.36Å; L41-D43 VanDerWaalsContact C-N 3.34Å; D43-I45 VanDerWaalsContact C-N 3.31Å; D43-I45 PolarHBondContact O-N 3.41Å; D43-K46 PolarHBondContact O-N 2.8Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.44Å
44S75.3Confident75.5Confident22 Ų2256.2 Ų56.215%0.15428%0.282CS..Hα-helixtrans-61.7-35.3173.1-57.90000113.4E40 L41 N48E40-S44 PolarHBondContact O-N 3.22Å; E40-S44 PolarHBondContact O-OG 2.93Å; L41-S44 PolarHBondContact O-N 3.09Å; S44-N48 WeakPolarHBondContact O-CB 3.48Å; S44-N48 PolarHBondContact O-N 2.88Å; S44-N48 PolarHBondContact O-ND2 3.19Å
45I78.4Confident75.8Confident0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-68.6-39.3175.9-71.8167.7000111L41 M42 D43 N49 M50 Y54 L57 M73L41-I45 HydrophobicContact CD1-CD1 4.1Å; L41-I45 HydrophobicContact CD1-CG1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 3.86Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 3.35Å; M42-I45 PolarHBondContact O-N 3.09Å; M42-I45 HydrophobicContact SD-CD1 4.47Å; D43-I45 VanDerWaalsContact C-N 3.31Å; D43-I45 PolarHBondContact O-N 3.41Å; I45-N49 WeakPolarHBondContact O-CA 3.37Å; I45-N49 PolarHBondContact O-N 2.94Å; I45-M50 HydrophobicContact CG2-CB 4.44Å; I45-M50 PolarHBondContact O-N 2.96Å; I45-M50 VanDerWaalsContact O-N 3.14Å; I45-Y54 HydrophobicContact CD1-CD2 4.22Å; I45-Y54 HydrophobicContact CG2-CD2 4.17Å; I45-Y54 HydrophobicContact CG2-CG 4.38Å; I45-L57 HydrophobicContact CD1-CD2 4.45Å; I45-M73 HydrophobicContact CG2-SD 4.12Å
46K79.1Confident76Confident96 Ų9652 Ų5242%0.41726%0.26SS..Hα-helixtrans-70.3-43.3177.9-74.2169.4-173.3168.90112.1M42 D43 N48 N49 L69M42-K46 WeakPolarHBondContact O-CB 3.24Å; M42-K46 VanDerWaalsContact O-CG 3.23Å; M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 3.38Å; D43-K46 PolarHBondContact O-N 2.8Å; D43-K46 VanDerWaalsContact O-N 3.15Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 3.09Å; K46-N49 PolarHBondContact O-N 3.39Å; K46-N49 PolarHBondContact O-OD1 3Å; K46-L69 HydrophobicContact CG-CD1 4.34Å; K46-L69 HydrophobicContact CG-CD2 4.4Å
47E78.2Confident75.9Confident153 Ų15343.6 Ų43.672%0.71522%0.224SC*.Hα-helixtrans-61.6-39.3178.1-75.1179.3172.300111.8D43D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.44Å
48N70.6Confident75.9Confident38 Ų3842.8 Ų42.820%0.20322%0.219CC..THydrogen-bonded Turntrans-95.8-0.1-177.1-67.3-56.3000114.5S44 K46 M50 R113S44-N48 WeakPolarHBondContact O-CB 3.48Å; S44-N48 PolarHBondContact O-N 2.88Å; S44-N48 PolarHBondContact O-ND2 3.19Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 3.09Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 HydrophobicContact CB-CG 3.53Å; N48-M50 HydrophobicContact CB-SD 4.16Å; N48-M50 PolarHBondContact O-N 3.04Å; N48-R113 HydrophobicContact CB-CG 3.94Å
49N71.8Confident76Confident52 Ų5246.2 Ų46.228%0.27823%0.234SC..THydrogen-bonded Turntrans47.446.6-175.6-63.9-63.1000113.5I45 K46 A51 N77I45-N49 WeakPolarHBondContact O-CA 3.37Å; I45-N49 PolarHBondContact O-N 2.94Å; K46-N49 PolarHBondContact O-N 3.39Å; K46-N49 PolarHBondContact O-OD1 3Å; N49-A51 VanDerWaalsContact C-N 3.26Å; N49-A51 PolarHBondContact O-N 3.02Å; N49-N77 VanDerWaalsContact CB-OD1 3.25Å; N49-N77 WeakPolarHBondContact CB-OD1 3.48Å; N49-N77 PolarHBondContact O-ND2 2.96Å; N49-N77 PolarHBondContact O-OD1 2.84Å
50M71.8Confident75.7Confident5 Ų547.3 Ų47.33%0.02524%0.237CC..  trans-78.962.3-172.1-46.2-173.586.100113.5I19 I45 N48 Y53 Y54 R113 I114I19-M50 HydrophobicContact CD1-CE 4.22Å; I19-M50 HydrophobicContact CD1-SD 3.61Å; I45-M50 HydrophobicContact CG2-CB 4.44Å; I45-M50 PolarHBondContact O-N 2.96Å; I45-M50 VanDerWaalsContact O-N 3.14Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 HydrophobicContact CB-CG 3.53Å; N48-M50 HydrophobicContact CB-SD 4.16Å; N48-M50 PolarHBondContact O-N 3.04Å; M50-Y53 HydrophobicContact CE-CD1 4.5Å; M50-Y53 PolarHBondContact O-N 3.48Å; M50-Y53 HydrophobicContact SD-CD1 4.28Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 2.72Å; M50-R113 WeakPolarHBondContact CE-O 3.36Å; M50-R113 VanDerWaalsContact CG-O 3.31Å; M50-R113 WeakPolarHBondContact CG-O 3.36Å; M50-I114 WeakPolarHBondContact CA-O 3.42Å
51A70.4Confident75.4Confident1 Ų142.4 Ų42.41%0.00821%0.214CC..Hα-helixtrans-60.4-50.3-17300000114.5N49 Y53 Y54 E55 M73 K74N49-A51 VanDerWaalsContact C-N 3.26Å; N49-A51 PolarHBondContact O-N 3.02Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 2.9Å; A51-Y54 PolarHBondContact O-N 3.14Å; A51-E55 PolarHBondContact O-N 3.41Å; A51-E55 VanDerWaalsContact O-N 3.09Å; A51-M73 HydrophobicContact CB-CB 3.97Å; A51-K74 HydrophobicContact CB-CG 4.08Å
52P73.3Confident75.1Confident44 Ų4451 Ų5129%0.28625%0.252SS..Hα-helixtrans-61-39.9176.5-24.733.6000113.4E55 S56 I114 N116P52-E55 PolarHBondContact O-N 3.08Å; P52-S56 PolarHBondContact O-N 3Å; P52-I114 WeakPolarHBondContact CD-O 3.4Å; P52-N116 HydrophobicContact CG-CB 4.33Å
53Y71.9Confident75.1Confident3 Ų352.2 Ų52.21%0.01226%0.255CS..Hα-helixtrans-66.3-41.5177.4-173.2-111.2000111.4I19 K23 M50 A51 E55 S56 L57 F150I19-Y53 HydrophobicContact CG2-CD1 4.31Å; I19-Y53 HydrophobicContact CG2-CE1 3.47Å; I19-Y53 VanDerWaalsContact CG2-CE1 3.47Å; K23-Y53 VanDerWaalsContact CD-OH 3.27Å; K23-Y53 WeakPolarHBondContact CD-OH 3.25Å; M50-Y53 HydrophobicContact CE-CD1 4.5Å; M50-Y53 PolarHBondContact O-N 3.48Å; M50-Y53 HydrophobicContact SD-CD1 4.28Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 2.9Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 3.24Å; Y53-S56 PolarHBondContact O-N 3.44Å; Y53-S56 PolarHBondContact O-OG 3.28Å; Y53-L57 HydrophobicContact CE1-CD1 3.86Å; Y53-L57 VanDerWaalsContact O-CB 3.29Å; Y53-L57 WeakPolarHBondContact O-CB 3.44Å; Y53-L57 PolarHBondContact O-N 3.08Å; Y53-F150 HydrophobicContact CD2-CE1 4Å; Y53-F150 HydrophobicContact CD2-CZ 4.13Å; Y53-F150 HydrophobicContact CE1-CZ 4.32Å; Y53-F150 AromaticContact CE2-CE1 3.45Å; Y53-F150 HydrophobicContact CE2-CE1 3.45Å; Y53-F150 VanDerWaalsContact CE2-CE1 3.45Å; Y53-F150 AromaticContact CE2-CZ 3.43Å; Y53-F150 HydrophobicContact CE2-CZ 3.43Å; Y53-F150 VanDerWaalsContact CE2-CZ 3.43Å; Y53-F150 AromaticContact CZ-CZ 3.52Å
54Y73.9Confident74.6Confident7 Ų757.5 Ų57.53%0.02728%0.277CS..Hα-helixtrans-60.5-39.6175.7180-110.4000112.6M42 I45 M50 A51 L57 C58 L65 D66 L70 M73M42-Y54 HydrophobicContact CE-CE2 3.86Å; M42-Y54 HydrophobicContact SD-CD2 4.39Å; M42-Y54 HydrophobicContact SD-CE2 3.82Å; I45-Y54 HydrophobicContact CD1-CD2 4.22Å; I45-Y54 HydrophobicContact CG2-CD2 4.17Å; I45-Y54 HydrophobicContact CG2-CG 4.38Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 2.72Å; A51-Y54 PolarHBondContact O-N 3.14Å; Y54-L57 PolarHBondContact O-N 3.37Å; Y54-C58 VanDerWaalsContact CE2-SG 3.51Å; Y54-C58 WeakPolarHBondContact O-CB 3.47Å; Y54-C58 PolarHBondContact O-N 3.4Å; Y54-C58 PolarHBondContact O-SG 3.31Å; Y54-L65 HydrophobicContact CD1-CD2 4.47Å; Y54-L65 HydrophobicContact CE1-CD2 3.93Å; Y54-D66 PolarHBondContact OH-N 3.21Å; Y54-L70 HydrophobicContact CD1-CD1 4.29Å; Y54-M73 HydrophobicContact CD1-CE 3.94Å; Y54-M73 HydrophobicContact CE1-CE 4.48Å; Y54-M73 HydrophobicContact CG-CE 4.22Å
55E76.4Confident74.5Confident56 Ų5660.1 Ų60.126%0.26229%0.289SS..Hα-helixtrans-62.1-45173.8-71.4-177.2-176.400112.1A51 P52 Y53 L57 K59 L70 K74A51-E55 PolarHBondContact O-N 3.41Å; A51-E55 VanDerWaalsContact O-N 3.09Å; P52-E55 PolarHBondContact O-N 3.08Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 3.24Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.34Å; E55-L70 HydrophobicContact CG-CD1 3.49Å; E55-L70 VanDerWaalsContact CG-CD1 3.49Å; E55-K74 WeakPolarHBondContact OE1-CE 3.38Å; E55-K74 IonicContact OE1-NZ 2.67Å; E55-K74 PolarHBondContact OE1-NZ 3.37Å
56S75.6Confident74.5Confident39 Ų3963.9 Ų63.927%0.27331%0.309SS..Hα-helixtrans-64.1-39.9176.175.30000112P52 Y53 K59 D60P52-S56 PolarHBondContact O-N 3Å; Y53-S56 PolarHBondContact O-N 3.44Å; Y53-S56 PolarHBondContact O-OG 3.28Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-D60 VanDerWaalsContact O-CG 3.3Å; S56-D60 PolarHBondContact O-N 3.46Å
57L74.9Confident74.4Confident0 Ų063.3 Ų63.30%031%0.314CS..Hα-helixtrans-68.5-40.5-178.8-171.2126.2000111.7K23 L41 I45 Y53 Y54 E55 K59 D60 L61 W63K23-L57 HydrophobicContact CB-CD1 4.15Å; K23-L57 HydrophobicContact CD-CD1 4.05Å; K23-L57 HydrophobicContact CG-CD1 3.92Å; L41-L57 HydrophobicContact CD2-CD1 3.74Å; L41-L57 HydrophobicContact CD2-CD2 4.03Å; I45-L57 HydrophobicContact CD1-CD2 4.45Å; Y53-L57 HydrophobicContact CE1-CD1 3.86Å; Y53-L57 VanDerWaalsContact O-CB 3.29Å; Y53-L57 WeakPolarHBondContact O-CB 3.44Å; Y53-L57 PolarHBondContact O-N 3.08Å; Y54-L57 PolarHBondContact O-N 3.37Å; E55-L57 VanDerWaalsContact C-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.84Å; L57-D60 PolarHBondContact O-N 3.13Å; L57-L61 HydrophobicContact CD1-CD1 4.28Å; L57-L61 HydrophobicContact CD2-CD1 3.6Å; L57-L61 HydrophobicContact CG-CD1 3.68Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.24Å; L57-L61 PolarHBondContact O-N 2.84Å; L57-W63 HydrophobicContact CD2-CE3 3.9Å; L57-W63 HydrophobicContact CD2-CZ3 3.74Å
58C76.1Confident74.5Confident5 Ų561.2 Ų61.23%0.03431%0.307CS..Hα-helixtrans-63.8-36.1174.6-70.80000112Y54 K62 W63 L65Y54-C58 VanDerWaalsContact CE2-SG 3.51Å; Y54-C58 WeakPolarHBondContact O-CB 3.47Å; Y54-C58 PolarHBondContact O-N 3.4Å; Y54-C58 PolarHBondContact O-SG 3.31Å; C58-K62 CarbonylContact O-C 3.37Å; C58-K62 VanDerWaalsContact O-CA 3.25Å; C58-K62 WeakPolarHBondContact O-CA 3.44Å; C58-K62 PolarHBondContact O-N 3.39Å; C58-W63 PolarHBondContact O-N 3.11Å; C58-W63 VanDerWaalsContact O-N 3.09Å; C58-L65 HydrophobicContact CB-CD1 4.29Å; C58-L65 HydrophobicContact CB-CG 4.12Å
59K77Confident74.9Confident155 Ų15560.9 Ų60.967%0.67431%0.305SS*.Hα-helixtrans-66.2-47.4173.6-71.2172.6-176173.50111.6E55 S56 L57E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.34Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.84Å
60D75.4Confident75.2Confident98 Ų9859 Ų5952%0.52430%0.295SS..Hα-helixtrans-66.7-44.4-177.5-69.8-13.9000112.2K23 S56 L57K23-D60 VanDerWaalsContact CE-OD2 3.31Å; K23-D60 WeakPolarHBondContact CE-OD2 3.5Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 3.11Å; S56-D60 VanDerWaalsContact O-CG 3.3Å; S56-D60 PolarHBondContact O-N 3.46Å; L57-D60 PolarHBondContact O-N 3.13Å
61L73.2Confident75.7Confident8 Ų863.3 Ų63.34%0.04232%0.318CS..Hα-helixtrans-88-5.1-177.4-65.3171.7000113.5L26 L57 W63L26-L61 HydrophobicContact CB-CD1 4.3Å; L26-L61 HydrophobicContact CB-CD2 4.08Å; L26-L61 HydrophobicContact CD1-CD1 4.41Å; L57-L61 HydrophobicContact CD1-CD1 4.28Å; L57-L61 HydrophobicContact CD2-CD1 3.6Å; L57-L61 HydrophobicContact CG-CD1 3.68Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.24Å; L57-L61 PolarHBondContact O-N 2.84Å; L61-W63 VanDerWaalsContact C-N 3.25Å; L61-W63 HydrophobicContact CB-CD2 4.06Å; L61-W63 HydrophobicContact CB-CG 4.01Å; L61-W63 HydrophobicContact CD1-CD2 4.15Å; L61-W63 HydrophobicContact CD1-CE3 4.22Å; L61-W63 HydrophobicContact CD1-CH2 3.88Å; L61-W63 HydrophobicContact CD1-CZ2 3.8Å; L61-W63 HydrophobicContact CD1-CZ3 4.09Å; L61-W63 PolarHBondContact O-N 3.13Å
62K73.9Confident76.4Confident179 Ų17970.6 Ų70.678%0.77835%0.35SS*.THydrogen-bonded Turntrans53.340.5-173.3-56.8-178.9179.9-179.60112.7C58C58-K62 CarbonylContact O-C 3.37Å; C58-K62 VanDerWaalsContact O-CA 3.25Å; C58-K62 WeakPolarHBondContact O-CA 3.44Å; C58-K62 PolarHBondContact O-N 3.39Å
63W77.5Confident76.8Confident55 Ų5568.6 Ų68.621%0.20834%0.337CS..  trans-82.6153177.1-74-3000111.6L26 K38 L41 M42 L57 C58 L61 L65L26-W63 HydrophobicContact CD1-CH2 3.69Å; L26-W63 HydrophobicContact CD1-CZ2 4.09Å; L26-W63 HydrophobicContact CD2-CZ2 4.29Å; K38-W63 HydrophobicContact CB-CH2 4.18Å; K38-W63 HydrophobicContact CD-CH2 3.88Å; K38-W63 HydrophobicContact CD-CZ2 3.85Å; K38-W63 HydrophobicContact CD-CZ3 4.49Å; K38-W63 HydrophobicContact CG-CH2 3.56Å; K38-W63 HydrophobicContact CG-CZ2 4.02Å; K38-W63 HydrophobicContact CG-CZ3 4.16Å; L41-W63 HydrophobicContact CD2-CH2 4.41Å; M42-W63 HydrophobicContact SD-CZ3 4.36Å; L57-W63 HydrophobicContact CD2-CE3 3.9Å; L57-W63 HydrophobicContact CD2-CZ3 3.74Å; C58-W63 PolarHBondContact O-N 3.11Å; C58-W63 VanDerWaalsContact O-N 3.09Å; L61-W63 VanDerWaalsContact C-N 3.25Å; L61-W63 HydrophobicContact CB-CD2 4.06Å; L61-W63 HydrophobicContact CB-CG 4.01Å; L61-W63 HydrophobicContact CD1-CD2 4.15Å; L61-W63 HydrophobicContact CD1-CE3 4.22Å; L61-W63 HydrophobicContact CD1-CH2 3.88Å; L61-W63 HydrophobicContact CD1-CZ2 3.8Å; L61-W63 HydrophobicContact CD1-CZ3 4.09Å; L61-W63 PolarHBondContact O-N 3.13Å; W63-L65 PolarHBondContact O-N 3.43Å
64Q71.3Confident77.4Confident191 Ų19172.2 Ų72.289%0.89335%0.353SS*.  trans-67.8129.4170.8-75-175.4-23.800109.4D66Q64-D66 PolarHBondContact O-N 3.35Å
65L73.1Confident78Confident78 Ų7878.4 Ų78.441%0.40838%0.379SS..  trans-81.9115.9-175.3-134.2158.3000108.7Y54 C58 W63 T67 L70Y54-L65 HydrophobicContact CD1-CD2 4.47Å; Y54-L65 HydrophobicContact CE1-CD2 3.93Å; C58-L65 HydrophobicContact CB-CD1 4.29Å; C58-L65 HydrophobicContact CB-CG 4.12Å; W63-L65 PolarHBondContact O-N 3.43Å; L65-T67 PolarHBondContact O-N 2.8Å; L65-T67 VanDerWaalsContact O-N 3.17Å; L65-L70 HydrophobicContact CD2-CB 4.32Å; L65-L70 HydrophobicContact CD2-CD1 3.46Å; L65-L70 VanDerWaalsContact CD2-CD1 3.46Å; L65-L70 HydrophobicContact CD2-CG 4.48Å
66D78.5Confident78.4Confident78 Ų7877.5 Ų77.542%0.41738%0.382SS..  trans-78.598.8173.6-168.8-18.9000109Y54 Q64 D68 L69 L70Y54-D66 PolarHBondContact OH-N 3.21Å; Q64-D66 PolarHBondContact O-N 3.35Å; D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.31Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D66-L69 HydrophobicContact CB-CB 4.06Å; D66-L69 PolarHBondContact OD1-N 3.44Å; D66-L70 WeakPolarHBondContact O-CB 3.12Å; D66-L70 PolarHBondContact O-N 3.36Å
67T77.5Confident78.9Confident85 Ų8576.1 Ų76.152%0.52137%0.371SS..Hα-helixtrans-65.9-31-175.350.40000112.4L65 N71L65-T67 PolarHBondContact O-N 2.8Å; L65-T67 VanDerWaalsContact O-N 3.17Å; T67-N71 WeakPolarHBondContact O-CB 3.19Å; T67-N71 PolarHBondContact O-N 3.5Å; T67-N71 PolarHBondContact O-ND2 3.21Å; T67-N71 VanDerWaalsContact O-ND2 3.13Å
68D80.8Confident79.4Confident108 Ų10881.3 Ų81.358%0.57840%0.396SS*.Hα-helixtrans-75.9-40.3-177.5-68.4-14.7000110.9D66 K72D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.31Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D68-K72 VanDerWaalsContact O-CG 3.31Å; D68-K72 WeakPolarHBondContact O-CG 3.33Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.15Å
69L78.1Confident80Confident31 Ų3185 Ų8516%0.16242%0.415CS..Hα-helixtrans-65.7-43.5173.8-172.464.9000111.1M42 K46 D66 N71 K72 M73M42-L69 HydrophobicContact CE-CD2 3.85Å; K46-L69 HydrophobicContact CG-CD1 4.34Å; K46-L69 HydrophobicContact CG-CD2 4.4Å; D66-L69 HydrophobicContact CB-CB 4.06Å; D66-L69 PolarHBondContact OD1-N 3.44Å; L69-N71 PolarHBondContact O-N 3.44Å; L69-K72 PolarHBondContact O-N 3.45Å; L69-M73 HydrophobicContact CD2-CE 4.36Å; L69-M73 HydrophobicContact CG-CE 3.93Å; L69-M73 HydrophobicContact CG-SD 4.46Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å
70L79.6Confident80.3Confident13 Ų1380.6 Ų80.67%0.06840%0.397CS..Hα-helixtrans-62.6-42.2178.7179.5144.5000112.4Y54 E55 L65 D66 M73 K74Y54-L70 HydrophobicContact CD1-CD1 4.29Å; E55-L70 HydrophobicContact CG-CD1 3.49Å; E55-L70 VanDerWaalsContact CG-CD1 3.49Å; L65-L70 HydrophobicContact CD2-CB 4.32Å; L65-L70 HydrophobicContact CD2-CD1 3.46Å; L65-L70 VanDerWaalsContact CD2-CD1 3.46Å; L65-L70 HydrophobicContact CD2-CG 4.48Å; D66-L70 WeakPolarHBondContact O-CB 3.12Å; D66-L70 PolarHBondContact O-N 3.36Å; L70-M73 PolarHBondContact O-N 2.81Å; L70-K74 HydrophobicContact CD2-CD 3.69Å; L70-K74 VanDerWaalsContact CD2-CE 3.45Å; L70-K74 HydrophobicContact CD2-CG 4.29Å; L70-K74 HydrophobicContact CG-CD 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.34Å; L70-K74 WeakPolarHBondContact O-CG 3.24Å; L70-K74 PolarHBondContact O-N 3.29Å
71N82.4Confident80.8Confident95 Ų9577.8 Ų77.851%0.50838%0.382SS..Hα-helixtrans-67-37177.4-73-24.9000112.3T67 L69 K75T67-N71 WeakPolarHBondContact O-CB 3.19Å; T67-N71 PolarHBondContact O-N 3.5Å; T67-N71 PolarHBondContact O-ND2 3.21Å; T67-N71 VanDerWaalsContact O-ND2 3.13Å; L69-N71 PolarHBondContact O-N 3.44Å; N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 PolarHBondContact O-N 3.04Å
72K84.6Confident81.6Confident154 Ų15482.8 Ų82.867%0.6740%0.403SS*.Hα-helixtrans-62.4-46.1172.7-74172.3-177174.80111.6D68 L69 K75 A76D68-K72 VanDerWaalsContact O-CG 3.31Å; D68-K72 WeakPolarHBondContact O-CG 3.33Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.15Å; L69-K72 PolarHBondContact O-N 3.45Å; K72-K75 PolarHBondContact O-N 3.21Å; K72-A76 PolarHBondContact O-N 3.38Å
73M81.6Confident82.4Confident3 Ų381.7 Ų81.72%0.01539%0.394CS..Hα-helixtrans-65.3-42.5178-68.7-175.4-66.400112I45 A51 Y54 L69 L70 K75 A76 N77I45-M73 HydrophobicContact CG2-SD 4.12Å; A51-M73 HydrophobicContact CB-CB 3.97Å; Y54-M73 HydrophobicContact CD1-CE 3.94Å; Y54-M73 HydrophobicContact CE1-CE 4.48Å; Y54-M73 HydrophobicContact CG-CE 4.22Å; L69-M73 HydrophobicContact CD2-CE 4.36Å; L69-M73 HydrophobicContact CG-CE 3.93Å; L69-M73 HydrophobicContact CG-SD 4.46Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å; L70-M73 PolarHBondContact O-N 2.81Å; M73-K75 PolarHBondContact O-N 3.26Å; M73-A76 PolarHBondContact O-N 3.43Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 2.88Å; M73-N77 PolarHBondContact O-OD1 3.11Å
74K84.1Confident82.8Confident79 Ų7980.1 Ų80.134%0.34339%0.39SS..Hα-helixtrans-61-44.1176-77.2-174.1178.6179.60112.1A51 E55 L70 N77 E78A51-K74 HydrophobicContact CB-CG 4.08Å; E55-K74 WeakPolarHBondContact OE1-CE 3.38Å; E55-K74 IonicContact OE1-NZ 2.67Å; E55-K74 PolarHBondContact OE1-NZ 3.37Å; L70-K74 HydrophobicContact CD2-CD 3.69Å; L70-K74 VanDerWaalsContact CD2-CE 3.45Å; L70-K74 HydrophobicContact CD2-CG 4.29Å; L70-K74 HydrophobicContact CG-CD 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.34Å; L70-K74 WeakPolarHBondContact O-CG 3.24Å; L70-K74 PolarHBondContact O-N 3.29Å; K74-N77 PolarHBondContact O-N 2.88Å; K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.82Å
75K86.6Confident83.6Confident136 Ų13673.4 Ų73.459%0.59136%0.36SS*.Hα-helixtrans-62.3-46.6177.8-172.4175.6179179.70111.9N71 K72 M73 N77 E78 D79N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 PolarHBondContact O-N 3.04Å; K72-K75 PolarHBondContact O-N 3.21Å; M73-K75 PolarHBondContact O-N 3.26Å; K75-N77 VanDerWaalsContact C-N 3.28Å; K75-N77 PolarHBondContact O-N 3.33Å; K75-E78 PolarHBondContact O-N 3.05Å; K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 3.45Å
76A85.3Confident84.3Confident38 Ų3874.7 Ų74.731%0.31437%0.367SS..Hα-helixtrans-60.6-38.5175.700000112.2K72 M73 E80K72-A76 PolarHBondContact O-N 3.38Å; M73-A76 PolarHBondContact O-N 3.43Å; A76-E80 PolarHBondContact O-N 3.33Å; A76-E80 VanDerWaalsContact O-N 3.11Å
77N84.9Confident84.7Confident9 Ų974.4 Ų74.45%0.04837%0.368CS..Hα-helixtrans-68.1-40.9177.1-71.50.1000112.6N49 M73 K74 K75 L81 Y110 I114N49-N77 VanDerWaalsContact CB-OD1 3.25Å; N49-N77 WeakPolarHBondContact CB-OD1 3.48Å; N49-N77 PolarHBondContact O-ND2 2.96Å; N49-N77 PolarHBondContact O-OD1 2.84Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 2.88Å; M73-N77 PolarHBondContact O-OD1 3.11Å; K74-N77 PolarHBondContact O-N 2.88Å; K75-N77 VanDerWaalsContact C-N 3.28Å; K75-N77 PolarHBondContact O-N 3.33Å; N77-L81 VanDerWaalsContact O-CB 3.23Å; N77-L81 WeakPolarHBondContact O-CB 3.42Å; N77-L81 WeakPolarHBondContact O-CD1 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.21Å; N77-Y110 WeakPolarHBondContact CA-OH 3.35Å; N77-Y110 PolarHBondContact OD1-OH 3.35Å; N77-I114 WeakPolarHBondContact ND2-CG2 3.4Å
78E85.8Confident85Confident109 Ų10971.1 Ų71.151%0.50935%0.347SS..Hα-helixtrans-64.9-41.2175.8-75.5177.7-163.200112K74 K75 K82K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.82Å; K75-E78 PolarHBondContact O-N 3.05Å; E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.17Å
79D88.1Confident85.3Confident83 Ų8370.6 Ų70.644%0.44434%0.341SS..Hα-helixtrans-66-43-179.9-69.2-22.6000111.3K75 R83K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 3.45Å; D79-R83 PolarHBondContact O-N 2.93Å; D79-R83 VanDerWaalsContact O-N 3.08Å
80E84.8Confident85.6Confident62 Ų6273.2 Ų73.229%0.2936%0.355SS..Hα-helixtrans-75.1-34.3178.4-16763.8-170.500112.5A76 R83 L84 Y110A76-E80 PolarHBondContact O-N 3.33Å; A76-E80 VanDerWaalsContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 3.27Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 IonicContact OE2-NH1 2.94Å; E80-L84 HydrophobicContact CG-CD1 4.34Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.34Å; E80-Y110 HydrophobicContact CB-CE1 4.42Å; E80-Y110 HydrophobicContact CB-CE2 3.96Å; E80-Y110 WeakPolarHBondContact CB-OH 3.42Å; E80-Y110 HydrophobicContact CG-CD2 4.05Å; E80-Y110 HydrophobicContact CG-CE2 3.46Å; E80-Y110 VanDerWaalsContact CG-CE2 3.46Å
81L85.9Confident85.8Confident39 Ų3972.7 Ų72.720%0.20435%0.353CS..Hα-helixtrans-63.1-41.9172.3-79.1170.4000111.6N77 L84 D85 Y110 L111N77-L81 VanDerWaalsContact O-CB 3.23Å; N77-L81 WeakPolarHBondContact O-CB 3.42Å; N77-L81 WeakPolarHBondContact O-CD1 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.21Å; L81-L84 PolarHBondContact O-N 3.47Å; L81-D85 WeakPolarHBondContact O-CB 3.36Å; L81-D85 PolarHBondContact O-N 3.18Å; L81-Y110 HydrophobicContact CD2-CD1 3.9Å; L81-Y110 HydrophobicContact CD2-CE1 4.24Å; L81-Y110 HydrophobicContact CG-CD1 4.2Å; L81-Y110 HydrophobicContact CG-CE1 4.01Å; L81-L111 HydrophobicContact CD2-CD2 3.93Å; L81-L111 HydrophobicContact CD2-CG 4.5Å
82K89.4Confident85.8Confident114 Ų11472.9 Ų72.950%0.49635%0.351SS..Hα-helixtrans-60.7-45.4174-75.4168.9-170.5163.90111.3E78 L84 D85 D86E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.17Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.17Å; K82-D85 PolarHBondContact O-N 2.97Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.26Å
83R90.7Very high85.7Confident155 Ų15572.5 Ų72.559%0.58535%0.349SS*.Hα-helixtrans-58.4-42.9176.2-174.3-173176.8-171.3-0.5112.1D79 E80 D86 V87D79-R83 PolarHBondContact O-N 2.93Å; D79-R83 VanDerWaalsContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 3.27Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 IonicContact OE2-NH1 2.94Å; R83-D86 PolarHBondContact O-N 3.17Å; R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.02Å; R83-V87 PolarHBondContact O-N 3.46Å
84L86.9Confident85.6Confident23 Ų2377.8 Ų77.812%0.1238%0.378CS..Hα-helixtrans-69.5-35.6178.1-71.5166.1000112.2E80 L81 K82 L88 A106 Y110E80-L84 HydrophobicContact CG-CD1 4.34Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.34Å; L81-L84 PolarHBondContact O-N 3.47Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.17Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.34Å; L84-A106 HydrophobicContact CD2-CB 4.28Å; L84-Y110 HydrophobicContact CD1-CD1 4.19Å; L84-Y110 HydrophobicContact CD1-CD2 4.15Å; L84-Y110 HydrophobicContact CD1-CG 3.77Å
85D86.9Confident85.3Confident50 Ų5078.4 Ų78.427%0.26738%0.384SS..Hα-helixtrans-68.2-39.8173.6-76.6-32.7000111.4L81 K82 V87 L88 E89 R107L81-D85 WeakPolarHBondContact O-CB 3.36Å; L81-D85 PolarHBondContact O-N 3.18Å; K82-D85 PolarHBondContact O-N 2.97Å; D85-V87 PolarHBondContact O-N 3.43Å; D85-L88 WeakPolarHBondContact O-CB 3.09Å; D85-L88 PolarHBondContact O-N 2.89Å; D85-E89 PolarHBondContact O-N 2.86Å; D85-R107 IonicContact OD1-CZ 2.69Å; D85-R107 IonicContact OD1-NE 3.48Å; D85-R107 PolarHBondContact OD1-NE 3.28Å; D85-R107 IonicContact OD1-NH1 3.12Å; D85-R107 PolarHBondContact OD1-NH1 3.24Å; D85-R107 IonicContact OD1-NH2 2.91Å; D85-R107 PolarHBondContact OD1-NH2 3.32Å; D85-R107 VanDerWaalsContact OD1-NH2 3.17Å; D85-R107 IonicContact OD2-NH2 3.26Å
86D87.9Confident85Confident104 Ų10473.6 Ų73.656%0.55637%0.374SS*.Hα-helixtrans-63.1-41.8174.6-69-26.4000111.6K82 R83 L88 E89 D90K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.26Å; R83-D86 PolarHBondContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.31Å; D86-E89 PolarHBondContact O-N 3.03Å; D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.35Å
87V85.9Confident84.6Confident73 Ų7379.6 Ų79.644%0.44240%0.395SS..Hα-helixtrans-64.6-37.9174.9169.70000111.1R83 D85 D90 A91 A103R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.02Å; R83-V87 PolarHBondContact O-N 3.46Å; D85-V87 PolarHBondContact O-N 3.43Å; V87-D90 PolarHBondContact O-N 2.99Å; V87-A91 VanDerWaalsContact O-CB 3.29Å; V87-A91 WeakPolarHBondContact O-CB 3.49Å; V87-A91 PolarHBondContact O-N 3.34Å; V87-A103 HydrophobicContact CG1-CB 4.26Å
88L84.4Confident84.3Confident16 Ų1681.8 Ų81.88%0.08441%0.411CS..Hα-helixtrans-68-42.5176.3-174.4152.8000111.1L84 D85 D86 A91 E92 A103 M104L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.34Å; D85-L88 WeakPolarHBondContact O-CB 3.09Å; D85-L88 PolarHBondContact O-N 2.89Å; D86-L88 VanDerWaalsContact C-N 3.31Å; L88-A91 PolarHBondContact O-N 2.9Å; L88-E92 HydrophobicContact CD2-CG 4.18Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E92 WeakPolarHBondContact O-CB 3.42Å; L88-E92 WeakPolarHBondContact O-CG 3.37Å; L88-E92 PolarHBondContact O-N 3.21Å; L88-A103 HydrophobicContact CB-CB 4.3Å; L88-M104 HydrophobicContact CD1-CE 4.06Å; L88-M104 HydrophobicContact CD1-CG 3.64Å; L88-M104 HydrophobicContact CD2-CE 4.35Å; L88-M104 HydrophobicContact CG-CE 4.33Å; L88-M104 HydrophobicContact CG-CG 4.48Å
89E86.5Confident84.1Confident96 Ų9680.6 Ų80.645%0.44941%0.406SS..Hα-helixtrans-63.7-39.8174.5-78-160.8-166.800112.6D85 D86 E92 K93D85-E89 PolarHBondContact O-N 2.86Å; D86-E89 PolarHBondContact O-N 3.03Å; E89-E92 PolarHBondContact O-N 3.4Å; E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.25Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 IonicContact OE2-NZ 2.78Å; E89-K93 PolarHBondContact OE2-NZ 2.96Å
90D85.5Confident84Confident86 Ų8677.9 Ų77.946%0.4639%0.391SS..Hα-helixtrans-65-44.4175.5-17150.2000110.9D86 V87 E92 K93 N94D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.35Å; V87-D90 PolarHBondContact O-N 2.99Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.31Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-N94 WeakPolarHBondContact O-CB 3.01Å; D90-N94 PolarHBondContact O-N 3.42Å; D90-N94 PolarHBondContact OD1-ND2 2.96Å
91A82.9Confident83.8Confident3 Ų377 Ų773%0.02539%0.385CS..Hα-helixtrans-63.1-38.3175.600000112.5V87 L88 L95 I100V87-A91 VanDerWaalsContact O-CB 3.29Å; V87-A91 WeakPolarHBondContact O-CB 3.49Å; V87-A91 PolarHBondContact O-N 3.34Å; L88-A91 PolarHBondContact O-N 2.9Å; A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 CarbonylContact O-C 3.55Å; A91-L95 WeakPolarHBondContact O-CA 2.88Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.02Å; A91-I100 HydrophobicContact CB-CG1 4.14Å; A91-I100 WeakPolarHBondContact O-CG1 3.36Å
92E82.3Confident83.8Confident98 Ų9879 Ų7946%0.45840%0.396SS..Hα-helixtrans-69.8-30.5176.7-75.9-174.9168.100113.1L88 E89 D90 I100 M104L88-E92 HydrophobicContact CD2-CG 4.18Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E92 WeakPolarHBondContact O-CB 3.42Å; L88-E92 WeakPolarHBondContact O-CG 3.37Å; L88-E92 PolarHBondContact O-N 3.21Å; E89-E92 PolarHBondContact O-N 3.4Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.31Å; E92-I100 HydrophobicContact CG-CD1 4.13Å; E92-I100 HydrophobicContact CG-CG1 4.08Å; E92-I100 HydrophobicContact CG-CG2 4.16Å; E92-M104 WeakPolarHBondContact OE1-CE 3.38Å
93K84.3Confident83.6Confident146 Ų14674 Ų7464%0.63538%0.376SS*.Hα-helixtrans-86.1-36.5180-70.5167.6-166.91580112.8E89 D90E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.25Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 IonicContact OE2-NZ 2.78Å; E89-K93 PolarHBondContact OE2-NZ 2.96Å; D90-K93 PolarHBondContact O-N 3.4Å
94N78.3Confident83.4Confident115 Ų11567.8 Ų67.862%0.61535%0.354SS*.Hα-helixtrans-117-19.4-165.5-66.9-31.2000115.1D90D90-N94 WeakPolarHBondContact O-CB 3.01Å; D90-N94 PolarHBondContact O-N 3.42Å; D90-N94 PolarHBondContact OD1-ND2 2.96Å
95L77.9Confident83.3Confident91 Ų9168.2 Ų68.248%0.47636%0.356SS..SBendtrans-122.2179.3-169.2-58.8171.3000112.8A91 E99A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 CarbonylContact O-C 3.55Å; A91-L95 WeakPolarHBondContact O-CA 2.88Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.02Å; L95-E99 HydrophobicContact CB-CB 3.73Å; L95-E99 HydrophobicContact CB-CG 4.06Å; L95-E99 HydrophobicContact CD1-CB 3.75Å; L95-E99 HydrophobicContact CD1-CG 3.94Å; L95-E99 HydrophobicContact CG-CB 4.33Å; L95-E99 HydrophobicContact CG-CG 4.42Å
96G81.4Confident83.3Confident36 Ų3667.8 Ų67.837%0.37136%0.359SS..  trans-89.6179.9-178.200000113.6S98 E99 I100G96-S98 PolarHBondContact O-N 3.42Å; G96-E99 WeakPolarHBondContact CA-OE2 3.42Å; G96-E99 PolarHBondContact N-OE2 2.92Å; G96-E99 VanDerWaalsContact N-OE2 3.11Å; G96-E99 PolarHBondContact O-N 3.37Å; G96-I100 WeakPolarHBondContact O-CG1 3.38Å; G96-I100 PolarHBondContact O-N 3.17Å
97E76.4Confident83.2Confident163 Ų16366.7 Ų66.776%0.76235%0.347SS*.Hα-helixtrans-60.8-25.3179.7-68.8-175.6161.600113.6R101E97-R101 WeakPolarHBondContact O-CB 3.25Å; E97-R101 PolarHBondContact O-N 2.96Å; E97-R101 VanDerWaalsContact O-N 3.12Å
98S79.1Confident83.2Confident56 Ų5663.2 Ų63.239%0.39233%0.326SS..Hα-helixtrans-70.7-45.1179.2-167.50000111.7G96 R101 D102G96-S98 PolarHBondContact O-N 3.42Å; S98-R101 WeakPolarHBondContact O-CB 3.44Å; S98-R101 PolarHBondContact O-N 3.28Å; S98-R101 PolarHBondContact OG-NH2 3Å; S98-D102 PolarHBondContact O-N 3.07Å
99E81.6Confident83.1Confident84 Ų8464.8 Ų64.839%0.39333%0.333SS..Hα-helixtrans-72.3-35.4-179.6-63.682-175.700111.5L95 G96 R101 D102 A103L95-E99 HydrophobicContact CB-CB 3.73Å; L95-E99 HydrophobicContact CB-CG 4.06Å; L95-E99 HydrophobicContact CD1-CB 3.75Å; L95-E99 HydrophobicContact CD1-CG 3.94Å; L95-E99 HydrophobicContact CG-CB 4.33Å; L95-E99 HydrophobicContact CG-CG 4.42Å; G96-E99 WeakPolarHBondContact CA-OE2 3.42Å; G96-E99 PolarHBondContact N-OE2 2.92Å; G96-E99 VanDerWaalsContact N-OE2 3.11Å; G96-E99 PolarHBondContact O-N 3.37Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 3.4Å; E99-D102 PolarHBondContact O-N 2.94Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.43Å
100I84.2Confident83.1Confident25 Ų2561 Ų6113%0.12832%0.315CS..Hα-helixtrans-59.8-42.9171.8-64.5167.3000110.3A91 E92 G96 M104A91-I100 HydrophobicContact CB-CG1 4.14Å; A91-I100 WeakPolarHBondContact O-CG1 3.36Å; E92-I100 HydrophobicContact CG-CD1 4.13Å; E92-I100 HydrophobicContact CG-CG1 4.08Å; E92-I100 HydrophobicContact CG-CG2 4.16Å; G96-I100 WeakPolarHBondContact O-CG1 3.38Å; G96-I100 PolarHBondContact O-N 3.17Å; I100-M104 HydrophobicContact CG2-CE 3.55Å; I100-M104 HydrophobicContact CG2-SD 4.09Å; I100-M104 WeakPolarHBondContact O-CB 3.29Å; I100-M104 VanDerWaalsContact O-CG 3.23Å; I100-M104 WeakPolarHBondContact O-CG 3.19Å; I100-M104 PolarHBondContact O-N 3.39Å
101R82.4Confident83Confident43 Ų4357.4 Ų57.416%0.16230%0.295CS..Hα-helixtrans-62.7-46.2176.6179.3-155.665.5-147.8-2.1111.3E97 S98 E99 A103 M104 M105 T127E97-R101 WeakPolarHBondContact O-CB 3.25Å; E97-R101 PolarHBondContact O-N 2.96Å; E97-R101 VanDerWaalsContact O-N 3.12Å; S98-R101 WeakPolarHBondContact O-CB 3.44Å; S98-R101 PolarHBondContact O-N 3.28Å; S98-R101 PolarHBondContact OG-NH2 3Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 3.4Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 3.31Å; R101-M104 CarbonylContact O-C 3.58Å; R101-M104 PolarHBondContact O-N 2.82Å; R101-M105 WeakPolarHBondContact O-CB 3.41Å; R101-M105 PolarHBondContact O-N 3.43Å; R101-T127 HydrophobicContact CG-CG2 4.24Å
102D83.9Confident82.9Confident82 Ų8257.6 Ų57.644%0.43930%0.296SS..Hα-helixtrans-66.1-38.2-177-66-17.3000111.3S98 E99 M105 A106S98-D102 PolarHBondContact O-N 3.07Å; E99-D102 PolarHBondContact O-N 2.94Å; D102-M105 PolarHBondContact O-N 2.88Å; D102-A106 WeakPolarHBondContact O-CB 3.4Å; D102-A106 PolarHBondContact O-N 3.39Å
103A85.9Confident82.9Confident9 Ų957.1 Ų57.17%0.07429%0.29CS..Hα-helixtrans-62.6-43.8170.600000112.2V87 L88 E99 R101 M105 A106 R107V87-A103 HydrophobicContact CG1-CB 4.26Å; L88-A103 HydrophobicContact CB-CB 4.3Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.43Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 3.31Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 2.94Å; A103-R107 WeakPolarHBondContact O-CB 3.46Å; A103-R107 PolarHBondContact O-N 3.49Å
104M86Confident82.6Confident24 Ų2450.4 Ų50.412%0.11826%0.261CS..Hα-helixtrans-64.6-35.7175.6-73.8-176.9-176.300112.8L88 E92 I100 R101 A108 T127 K130L88-M104 HydrophobicContact CD1-CE 4.06Å; L88-M104 HydrophobicContact CD1-CG 3.64Å; L88-M104 HydrophobicContact CD2-CE 4.35Å; L88-M104 HydrophobicContact CG-CE 4.33Å; L88-M104 HydrophobicContact CG-CG 4.48Å; E92-M104 WeakPolarHBondContact OE1-CE 3.38Å; I100-M104 HydrophobicContact CG2-CE 3.55Å; I100-M104 HydrophobicContact CG2-SD 4.09Å; I100-M104 WeakPolarHBondContact O-CB 3.29Å; I100-M104 VanDerWaalsContact O-CG 3.23Å; I100-M104 WeakPolarHBondContact O-CG 3.19Å; I100-M104 PolarHBondContact O-N 3.39Å; R101-M104 CarbonylContact O-C 3.58Å; R101-M104 PolarHBondContact O-N 2.82Å; M104-A108 WeakPolarHBondContact O-CB 3.45Å; M104-A108 PolarHBondContact O-N 3.5Å; M104-T127 HydrophobicContact CB-CG2 4.28Å; M104-K130 HydrophobicContact CE-CD 4.25Å; M104-K130 HydrophobicContact SD-CD 3.67Å
105M85.6Confident82.5Confident33 Ų3345.4 Ų45.416%0.16324%0.237CC..Hα-helixtrans-68.1-49.4176.3-171.765.5179.800111R101 D102 A103 R107 A108 E109 F124 T127 I140 Y143R101-M105 WeakPolarHBondContact O-CB 3.41Å; R101-M105 PolarHBondContact O-N 3.43Å; D102-M105 PolarHBondContact O-N 2.88Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.39Å; M105-R107 VanDerWaalsContact C-N 3.27Å; M105-R107 PolarHBondContact O-N 3.21Å; M105-A108 PolarHBondContact O-N 3.28Å; M105-E109 HydrophobicContact CE-CG 4.21Å; M105-E109 WeakPolarHBondContact CE-OE1 3.2Å; M105-E109 WeakPolarHBondContact O-CG 3.24Å; M105-E109 PolarHBondContact O-N 3.38Å; M105-F124 HydrophobicContact CE-CE1 4.31Å; M105-F124 HydrophobicContact SD-CE1 4.12Å; M105-T127 HydrophobicContact CB-CG2 4.43Å; M105-T127 HydrophobicContact SD-CG2 4.42Å; M105-I140 HydrophobicContact CE-CG1 4.29Å; M105-I140 HydrophobicContact SD-CG1 3.98Å; M105-Y143 HydrophobicContact CE-CD2 3.52Å; M105-Y143 HydrophobicContact CE-CE2 3.18Å
106A85.9Confident82.7Confident41 Ų4143 Ų4334%0.33922%0.224SC..Hα-helixtrans-58-41177.300000111.7L84 D102 A103 Y110L84-A106 HydrophobicContact CD2-CB 4.28Å; D102-A106 WeakPolarHBondContact O-CB 3.4Å; D102-A106 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 2.94Å; A106-Y110 WeakPolarHBondContact O-CB 3.37Å; A106-Y110 PolarHBondContact O-N 3.1Å
107R86.4Confident82.7Confident81 Ų8143.6 Ų43.631%0.30622%0.217SC..Hα-helixtrans-61.3-46.6172.7-176.7-177.4174.6168.614112.1D85 A103 M105 Y110 L111D85-R107 IonicContact OD1-CZ 2.69Å; D85-R107 IonicContact OD1-NE 3.48Å; D85-R107 PolarHBondContact OD1-NE 3.28Å; D85-R107 IonicContact OD1-NH1 3.12Å; D85-R107 PolarHBondContact OD1-NH1 3.24Å; D85-R107 IonicContact OD1-NH2 2.91Å; D85-R107 PolarHBondContact OD1-NH2 3.32Å; D85-R107 VanDerWaalsContact OD1-NH2 3.17Å; D85-R107 IonicContact OD2-NH2 3.26Å; A103-R107 WeakPolarHBondContact O-CB 3.46Å; A103-R107 PolarHBondContact O-N 3.49Å; M105-R107 VanDerWaalsContact C-N 3.27Å; M105-R107 PolarHBondContact O-N 3.21Å; R107-Y110 PolarHBondContact O-N 3.29Å; R107-L111 HydrophobicContact CG-CD1 4.38Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.33Å
108A85.9Confident83.1Confident0 Ų041.6 Ų41.60%021%0.207CC..Hα-helixtrans-65.1-41-179.600000112M104 M105 Y110 L111 I112 A123 F124M104-A108 WeakPolarHBondContact O-CB 3.45Å; M104-A108 PolarHBondContact O-N 3.5Å; M105-A108 PolarHBondContact O-N 3.28Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.83Å; A108-L111 PolarHBondContact O-N 3.2Å; A108-I112 PolarHBondContact O-N 3.32Å; A108-A123 HydrophobicContact CB-CB 3.89Å; A108-F124 HydrophobicContact CB-CD1 3.85Å; A108-F124 HydrophobicContact CB-CD2 4.25Å; A108-F124 HydrophobicContact CB-CE1 3.49Å; A108-F124 VanDerWaalsContact CB-CE1 3.49Å; A108-F124 HydrophobicContact CB-CE2 3.83Å; A108-F124 HydrophobicContact CB-CG 4.21Å; A108-F124 HydrophobicContact CB-CZ 3.45Å; A108-F124 VanDerWaalsContact CB-CZ 3.45Å
109E83.6Confident83.4Confident49 Ų4942.8 Ų42.823%0.22921%0.209CC..Hα-helixtrans-62.4-40.5173.9-71.3-175.6169.600111.9M105 I112 R113 Y143M105-E109 HydrophobicContact CE-CG 4.21Å; M105-E109 WeakPolarHBondContact CE-OE1 3.2Å; M105-E109 WeakPolarHBondContact O-CG 3.24Å; M105-E109 PolarHBondContact O-N 3.38Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.01Å; E109-R113 PolarHBondContact O-N 2.82Å; E109-Y143 HydrophobicContact CG-CE1 4.28Å; E109-Y143 VanDerWaalsContact OE1-CZ 3.26Å; E109-Y143 PolarHBondContact OE1-OH 3.26Å
110Y84.6Confident83.6Confident16 Ų1638.8 Ų38.86%0.06319%0.191CC..Hα-helixtrans-62.5-43.1174.4-170.3-91.9000111.9N77 E80 L81 L84 A106 R107 A108 I112 R113 I114N77-Y110 WeakPolarHBondContact CA-OH 3.35Å; N77-Y110 PolarHBondContact OD1-OH 3.35Å; E80-Y110 HydrophobicContact CB-CE1 4.42Å; E80-Y110 HydrophobicContact CB-CE2 3.96Å; E80-Y110 WeakPolarHBondContact CB-OH 3.42Å; E80-Y110 HydrophobicContact CG-CD2 4.05Å; E80-Y110 HydrophobicContact CG-CE2 3.46Å; E80-Y110 VanDerWaalsContact CG-CE2 3.46Å; L81-Y110 HydrophobicContact CD2-CD1 3.9Å; L81-Y110 HydrophobicContact CD2-CE1 4.24Å; L81-Y110 HydrophobicContact CG-CD1 4.2Å; L81-Y110 HydrophobicContact CG-CE1 4.01Å; L84-Y110 HydrophobicContact CD1-CD1 4.19Å; L84-Y110 HydrophobicContact CD1-CD2 4.15Å; L84-Y110 HydrophobicContact CD1-CG 3.77Å; A106-Y110 WeakPolarHBondContact O-CB 3.37Å; A106-Y110 PolarHBondContact O-N 3.1Å; R107-Y110 PolarHBondContact O-N 3.29Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.83Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.24Å; Y110-R113 WeakPolarHBondContact O-CB 3.38Å; Y110-R113 PolarHBondContact O-N 3.08Å; Y110-R113 VanDerWaalsContact O-N 3.08Å; Y110-I114 HydrophobicContact CD1-CG2 4.12Å; Y110-I114 HydrophobicContact CE1-CG2 3.64Å; Y110-I114 PolarHBondContact O-N 3.37Å
111L83.5Confident83.8Confident11 Ų1138.2 Ų38.26%0.05819%0.188CC..Hα-helixtrans-62.9-34.7176.9-71.6172.8000112.9L81 R107 A108 I114 G115 N116 D119 A120 A123L81-L111 HydrophobicContact CD2-CD2 3.93Å; L81-L111 HydrophobicContact CD2-CG 4.5Å; R107-L111 HydrophobicContact CG-CD1 4.38Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.33Å; A108-L111 PolarHBondContact O-N 3.2Å; L111-I114 HydrophobicContact CD2-CD1 3.81Å; L111-I114 WeakPolarHBondContact O-CG1 3.48Å; L111-G115 PolarHBondContact O-N 3.25Å; L111-N116 PolarHBondContact O-N 2.99Å; L111-N116 VanDerWaalsContact O-N 3.14Å; L111-D119 HydrophobicContact CD1-CB 4.35Å; L111-D119 HydrophobicContact CD2-CB 4.48Å; L111-A120 HydrophobicContact CB-CB 4.01Å; L111-A123 HydrophobicContact CD1-CB 3.94Å
112I81.9Confident84.1Confident7 Ų739.3 Ų39.34%0.03620%0.199CC..Hα-helixtrans-64.4-48.3169.5-69.6-176.1000110.5N14 P15 A108 E109 Y110 I114 G115 A120 F124 Y143 I147N14-I112 HydrophobicContact CB-CG2 4.37Å; P15-I112 HydrophobicContact CB-CG2 3.56Å; P15-I112 HydrophobicContact CG-CG2 3.55Å; P15-I112 VanDerWaalsContact N-CG2 3.31Å; A108-I112 PolarHBondContact O-N 3.32Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.01Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.24Å; I112-I114 PolarHBondContact O-N 3.03Å; I112-G115 WeakPolarHBondContact O-CA 3.1Å; I112-G115 PolarHBondContact O-N 2.96Å; I112-A120 HydrophobicContact CG1-CB 4.14Å; I112-F124 HydrophobicContact CD1-CD2 4.37Å; I112-F124 HydrophobicContact CD1-CE1 4.42Å; I112-F124 HydrophobicContact CD1-CE2 3.23Å; I112-F124 HydrophobicContact CD1-CZ 3.24Å; I112-F124 HydrophobicContact CG1-CE2 3.41Å; I112-F124 VanDerWaalsContact CG1-CE2 3.41Å; I112-F124 HydrophobicContact CG1-CZ 3.76Å; I112-Y143 HydrophobicContact CD1-CD1 3.59Å; I112-Y143 HydrophobicContact CD1-CE1 4.46Å; I112-Y143 HydrophobicContact CD1-CG 4.16Å; I112-I147 HydrophobicContact CD1-CD1 3.69Å; I112-I147 HydrophobicContact CD1-CG1 3.98Å; I112-I147 HydrophobicContact CG1-CD1 3.77Å; I112-I147 HydrophobicContact CG1-CG1 4.19Å
113R81.1Confident84.3Confident88 Ų8836 Ų3633%0.33218%0.183SC..Hα-helixtrans-60.3-36.6-174.6-173.9172.264.3-1750.1111.6N48 M50 E109 Y110 G115N48-R113 HydrophobicContact CB-CG 3.94Å; M50-R113 WeakPolarHBondContact CE-O 3.36Å; M50-R113 VanDerWaalsContact CG-O 3.31Å; M50-R113 WeakPolarHBondContact CG-O 3.36Å; E109-R113 PolarHBondContact O-N 2.82Å; Y110-R113 WeakPolarHBondContact O-CB 3.38Å; Y110-R113 PolarHBondContact O-N 3.08Å; Y110-R113 VanDerWaalsContact O-N 3.08Å; R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 3.4Å
114I79.4Confident84.4Confident5 Ų535.6 Ų35.63%0.02618%0.18CC..THydrogen-bonded Turntrans-74.5-15.2174.165.4173.9000113.3M50 P52 N77 Y110 L111 I112 N116M50-I114 WeakPolarHBondContact CA-O 3.42Å; P52-I114 WeakPolarHBondContact CD-O 3.4Å; N77-I114 WeakPolarHBondContact ND2-CG2 3.4Å; Y110-I114 HydrophobicContact CD1-CG2 4.12Å; Y110-I114 HydrophobicContact CE1-CG2 3.64Å; Y110-I114 PolarHBondContact O-N 3.37Å; L111-I114 HydrophobicContact CD2-CD1 3.81Å; L111-I114 WeakPolarHBondContact O-CG1 3.48Å; I112-I114 PolarHBondContact O-N 3.03Å; I114-N116 HydrophobicContact CD1-CB 3.98Å; I114-N116 HydrophobicContact CG1-CB 4.08Å
115G75.9Confident84.5Confident10 Ų1040.7 Ų40.710%0.10320%0.198CC..THydrogen-bonded Turntrans83.923.5179.300000114.9L111 I112 R113 K117 Y151L111-G115 PolarHBondContact O-N 3.25Å; I112-G115 WeakPolarHBondContact O-CA 3.1Å; I112-G115 PolarHBondContact O-N 2.96Å; R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 3.4Å; G115-K117 PolarHBondContact O-N 2.72Å; G115-Y151 PolarHBondContact O-OH 3.34Å
116N80.9Confident84.6Confident41 Ų4145.8 Ų45.822%0.21922%0.219CC..  trans-87.597.6177.1-170.7-11.7000111.1P52 L111 I114 D119 A120P52-N116 HydrophobicContact CG-CB 4.33Å; L111-N116 PolarHBondContact O-N 2.99Å; L111-N116 VanDerWaalsContact O-N 3.14Å; I114-N116 HydrophobicContact CD1-CB 3.98Å; I114-N116 HydrophobicContact CG1-CB 4.08Å; N116-D119 PolarHBondContact ND2-OD2 3.02Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.37Å
117K81.6Confident84.7Confident48 Ų4844 Ų4421%0.20920%0.204CC..Hα-helixtrans-60.1-54.3-172.6-175.2-176.5176.5-176.50113.1G115 L121 I147 Y151 D153G115-K117 PolarHBondContact O-N 2.72Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 2.99Å; K117-I147 HydrophobicContact CG-CG2 4.31Å; K117-Y151 HydrophobicContact CB-CE2 3.89Å; K117-Y151 HydrophobicContact CD-CD2 3.91Å; K117-Y151 HydrophobicContact CD-CE2 4.15Å; K117-Y151 HydrophobicContact CD-CG 4.14Å; K117-Y151 HydrophobicContact CG-CD2 4.13Å; K117-Y151 HydrophobicContact CG-CE2 3.99Å; K117-D153 IonicContact NZ-OD2 3.55Å; K117-D153 PolarHBondContact NZ-OD2 3.08Å
118E85.8Confident84.7Confident120 Ų12042.4 Ų42.456%0.56120%0.199SC*.Hα-helixtrans-69.2-46.9-169.3-63.7-56.913900111.7A120 L121 T122E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.88Å; E118-L121 PolarHBondContact O-N 2.63Å; E118-T122 WeakPolarHBondContact O-CG2 3.5Å; E118-T122 PolarHBondContact O-N 3.4Å; E118-T122 VanDerWaalsContact O-N 3.08Å
119D85.3Confident84.8Confident81 Ų8148.5 Ų48.543%0.43323%0.232SC..Hα-helixtrans-65.7-39.4179.8-67-25.2000111.2L111 N116 L121 T122 A123L111-D119 HydrophobicContact CD1-CB 4.35Å; L111-D119 HydrophobicContact CD2-CB 4.48Å; N116-D119 PolarHBondContact ND2-OD2 3.02Å; D119-L121 PolarHBondContact O-N 3.32Å; D119-T122 PolarHBondContact O-N 3.4Å; D119-T122 PolarHBondContact O-OG1 3.39Å; D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 3.46Å
120A85.9Confident84.9Confident1 Ų151.2 Ų51.21%0.00824%0.243CC..Hα-helixtrans-60.1-46.4173.600000111.6L111 I112 N116 E118 T122 A123 F124 I147L111-A120 HydrophobicContact CB-CB 4.01Å; I112-A120 HydrophobicContact CG1-CB 4.14Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.37Å; E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.88Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 2.82Å; A120-A123 PolarHBondContact O-N 3.09Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.4Å; A120-I147 HydrophobicContact CB-CD1 4.45Å
121L87.3Confident84.8Confident12 Ų1250.5 Ų50.56%0.06324%0.24CC..Hα-helixtrans-60.1-39.1178.7-73.1175.4000112.3K117 E118 D119 R125 L144 L156K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 2.99Å; E118-L121 PolarHBondContact O-N 2.63Å; D119-L121 PolarHBondContact O-N 3.32Å; L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.29Å; L121-R125 PolarHBondContact O-N 2.9Å; L121-L144 HydrophobicContact CD2-CD2 3.53Å; L121-L156 HydrophobicContact CD1-CD2 4.46Å; L121-L156 HydrophobicContact CD2-CD1 4.32Å; L121-L156 HydrophobicContact CD2-CD2 4Å
122T88.9Confident84.7Confident66 Ų6655.4 Ų55.441%0.40527%0.271SS..Hα-helixtrans-69.9-39.7176.167.40000112.1E118 D119 A120 R125 K126E118-T122 WeakPolarHBondContact O-CG2 3.5Å; E118-T122 PolarHBondContact O-N 3.4Å; E118-T122 VanDerWaalsContact O-N 3.08Å; D119-T122 PolarHBondContact O-N 3.4Å; D119-T122 PolarHBondContact O-OG1 3.39Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 2.82Å; T122-R125 PolarHBondContact O-N 3.09Å; T122-K126 WeakPolarHBondContact O-CG 3.31Å; T122-K126 PolarHBondContact O-N 3.01Å; T122-K126 VanDerWaalsContact O-N 3.12Å
123A87.8Confident84.8Confident13 Ų1357.2 Ų57.211%0.10729%0.287CS..Hα-helixtrans-61.7-49.7176.700000111.3A108 L111 D119 A120 R125 K126 T127A108-A123 HydrophobicContact CB-CB 3.89Å; L111-A123 HydrophobicContact CD1-CB 3.94Å; D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 3.46Å; A120-A123 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact C-N 3.31Å; A123-R125 PolarHBondContact O-N 3.14Å; A123-K126 PolarHBondContact O-N 2.67Å; A123-T127 PolarHBondContact O-N 3.45Å; A123-T127 PolarHBondContact O-OG1 3.41Å
124F88.4Confident85Confident0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-63-34.6178-75.9-65.1000113.7M105 A108 I112 A120 T127 F128 I140 Y143 L144 I147M105-F124 HydrophobicContact CE-CE1 4.31Å; M105-F124 HydrophobicContact SD-CE1 4.12Å; A108-F124 HydrophobicContact CB-CD1 3.85Å; A108-F124 HydrophobicContact CB-CD2 4.25Å; A108-F124 HydrophobicContact CB-CE1 3.49Å; A108-F124 VanDerWaalsContact CB-CE1 3.49Å; A108-F124 HydrophobicContact CB-CE2 3.83Å; A108-F124 HydrophobicContact CB-CG 4.21Å; A108-F124 HydrophobicContact CB-CZ 3.45Å; A108-F124 VanDerWaalsContact CB-CZ 3.45Å; I112-F124 HydrophobicContact CD1-CD2 4.37Å; I112-F124 HydrophobicContact CD1-CE1 4.42Å; I112-F124 HydrophobicContact CD1-CE2 3.23Å; I112-F124 HydrophobicContact CD1-CZ 3.24Å; I112-F124 HydrophobicContact CG1-CE2 3.41Å; I112-F124 VanDerWaalsContact CG1-CE2 3.41Å; I112-F124 HydrophobicContact CG1-CZ 3.76Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.4Å; F124-T127 PolarHBondContact O-N 3.19Å; F124-F128 VanDerWaalsContact O-CB 3.22Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 PolarHBondContact O-N 3.26Å; F124-I140 HydrophobicContact CB-CG2 4.05Å; F124-I140 HydrophobicContact CD1-CG2 3.86Å; F124-I140 HydrophobicContact CG-CG2 4.33Å; F124-Y143 HydrophobicContact CE1-CD2 4.27Å; F124-Y143 HydrophobicContact CE1-CG 4.11Å; F124-Y143 HydrophobicContact CZ-CG 4.23Å; F124-L144 HydrophobicContact CB-CD2 3.78Å; F124-L144 HydrophobicContact CB-CG 4.25Å; F124-L144 HydrophobicContact CD2-CD2 4.18Å; F124-L144 HydrophobicContact CG-CD2 4.19Å; F124-I147 HydrophobicContact CD2-CD1 4.26Å; F124-I147 HydrophobicContact CE2-CD1 4.15Å
125R88.1Confident85.2Confident131 Ų13155.8 Ų55.849%0.49429%0.29SS..Hα-helixtrans-63.6-46.6174.7-74.3175.3-171.3-179.27.8111.1L121 T122 A123 T127 F128 D129L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.29Å; L121-R125 PolarHBondContact O-N 2.9Å; T122-R125 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact C-N 3.31Å; A123-R125 PolarHBondContact O-N 3.14Å; R125-T127 VanDerWaalsContact C-N 3.34Å; R125-T127 PolarHBondContact O-N 3.19Å; R125-F128 WeakPolarHBondContact O-CB 3.34Å; R125-F128 PolarHBondContact O-N 3.25Å; R125-D129 PolarHBondContact O-N 2.9Å; R125-D129 VanDerWaalsContact O-N 3.1Å
126K88.6Confident85.6Confident140 Ų14059.3 Ų59.361%0.60930%0.304SS*.Hα-helixtrans-60.6-43.2176-69.6175.8-179.2178.80111.9T122 A123 D129 K130T122-K126 WeakPolarHBondContact O-CG 3.31Å; T122-K126 PolarHBondContact O-N 3.01Å; T122-K126 VanDerWaalsContact O-N 3.12Å; A123-K126 PolarHBondContact O-N 2.67Å; K126-D129 PolarHBondContact O-N 3.48Å; K126-K130 PolarHBondContact O-N 3.2Å
127T87.3Confident85.9Confident3 Ų360.9 Ų60.92%0.01831%0.306CS..Hα-helixtrans-66.5-38.4177.6-49.20000111.4R101 M104 M105 A123 F124 R125 K130 T131 I140R101-T127 HydrophobicContact CG-CG2 4.24Å; M104-T127 HydrophobicContact CB-CG2 4.28Å; M105-T127 HydrophobicContact CB-CG2 4.43Å; M105-T127 HydrophobicContact SD-CG2 4.42Å; A123-T127 PolarHBondContact O-N 3.45Å; A123-T127 PolarHBondContact O-OG1 3.41Å; F124-T127 PolarHBondContact O-N 3.19Å; R125-T127 VanDerWaalsContact C-N 3.34Å; R125-T127 PolarHBondContact O-N 3.19Å; T127-K130 PolarHBondContact O-N 3.34Å; T127-T131 WeakPolarHBondContact O-CB 3.27Å; T127-T131 PolarHBondContact O-N 2.71Å; T127-T131 PolarHBondContact O-OG1 3.42Å; T127-I140 HydrophobicContact CG2-CD1 3.87Å
128F87.8Confident86.1Confident49 Ų4958.6 Ų58.622%0.21530%0.297CS..Hα-helixtrans-61.2-46177.6-175.4-89.4000111.7F124 R125 K130 T131 R137 I140 V141 L167F124-F128 VanDerWaalsContact O-CB 3.22Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 PolarHBondContact O-N 3.26Å; R125-F128 WeakPolarHBondContact O-CB 3.34Å; R125-F128 PolarHBondContact O-N 3.25Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 2.85Å; F128-T131 PolarHBondContact O-N 3.09Å; F128-R137 HydrophobicContact CD2-CB 4.28Å; F128-R137 HydrophobicContact CD2-CG 4.32Å; F128-R137 HydrophobicContact CE2-CB 3.76Å; F128-R137 HydrophobicContact CE2-CG 4.02Å; F128-R137 HydrophobicContact CZ-CB 4.43Å; F128-R137 HydrophobicContact CZ-CG 4.42Å; F128-I140 HydrophobicContact CB-CG2 4.22Å; F128-I140 HydrophobicContact CD2-CB 4.47Å; F128-I140 HydrophobicContact CD2-CG2 4.17Å; F128-V141 HydrophobicContact CD2-CG2 4.27Å; F128-V141 HydrophobicContact CE2-CG2 3.78Å; F128-L167 HydrophobicContact CE2-CD1 4.07Å; F128-L167 HydrophobicContact CZ-CD1 4.15Å
129D87.6Confident86.1Confident128 Ų12853.9 Ų53.968%0.68428%0.275SS*.Hα-helixtrans-64.1-34.8-179-65.3-25.2000112.3R125 K126R125-D129 PolarHBondContact O-N 2.9Å; R125-D129 VanDerWaalsContact O-N 3.1Å; K126-D129 PolarHBondContact O-N 3.48Å
130K84.8Confident86.2Confident106 Ų10650.1 Ų50.146%0.46126%0.255SS..Hα-helixtrans-81.1-17.4176.9-70.6-172.9175.2-169.80114M104 K126 T127 F128M104-K130 HydrophobicContact CE-CD 4.25Å; M104-K130 HydrophobicContact SD-CD 3.67Å; K126-K130 PolarHBondContact O-N 3.2Å; T127-K130 PolarHBondContact O-N 3.34Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 2.85Å
131T83Confident86.4Confident1 Ų150.2 Ų50.21%0.00626%0.256CS..  trans-81.7127.7-176.3-62.60000110.2T127 F128 H136 R137T127-T131 WeakPolarHBondContact O-CB 3.27Å; T127-T131 PolarHBondContact O-N 2.71Å; T127-T131 PolarHBondContact O-OG1 3.42Å; F128-T131 PolarHBondContact O-N 3.09Å; T131-H136 HydrophobicContact CG2-CB 3.57Å; T131-R137 HydrophobicContact CG2-CG 3.91Å; T131-R137 PolarHBondContact O-NE 2.7Å; T131-R137 PolarHBondContact O-NH2 3.16Å
132V80.8Confident86.4Confident114 Ų11449.7 Ų49.769%0.69125%0.253SS*.  trans-95.2-39.6178.7-1770000112.1L134V132-L134 PolarHBondContact O-N 2.95Å
133A85.2Confident86.4Confident45 Ų4546.7 Ų46.737%0.37223%0.234SC..  trans-70.8130.2-176.600000112.3G135 H136 R137A133-G135 PolarHBondContact O-N 3.13Å; A133-H136 PolarHBondContact O-N 3.01Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 VanDerWaalsContact O-N 3.11Å
134L84.2Confident86.4Confident43 Ų4346.7 Ų46.723%0.22523%0.232CC..Hα-helixtrans-61.5-40.6-176.9-171.670.6000112.9V132 H136 R137 L138 L167 G171V132-L134 PolarHBondContact O-N 2.95Å; L134-H136 PolarHBondContact O-N 3.48Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.28Å; L134-L138 PolarHBondContact O-N 3.48Å; L134-L167 HydrophobicContact CD1-CB 4.22Å; L134-L167 HydrophobicContact CD1-CD2 3.76Å; L134-G171 VanDerWaalsContact CD2-C 3.41Å; L134-G171 WeakPolarHBondContact CD2-O 3.4Å
135G84.3Confident86.4Confident20 Ų2046.8 Ų46.821%0.20623%0.233CC..Hα-helixtrans-58.3-47.4178.300000112.4A133 R137 L138 D139A133-G135 PolarHBondContact O-N 3.13Å; G135-R137 PolarHBondContact O-N 2.95Å; G135-L138 WeakPolarHBondContact O-CB 3.43Å; G135-L138 PolarHBondContact O-N 2.98Å; G135-D139 PolarHBondContact O-N 3.5Å
136H84.4Confident86.3Confident84 Ų8440.7 Ų40.739%0.38921%0.21SC..Hα-helixtrans-68.4-33.7177.9-61.8-42000112.8T131 A133 L134 L138 D139 I140T131-H136 HydrophobicContact CG2-CB 3.57Å; A133-H136 PolarHBondContact O-N 3.01Å; L134-H136 PolarHBondContact O-N 3.48Å; H136-L138 VanDerWaalsContact C-N 3.33Å; H136-D139 PolarHBondContact O-N 3.06Å; H136-I140 WeakPolarHBondContact O-CG1 3.47Å; H136-I140 PolarHBondContact O-N 2.88Å
137R86.1Confident86.1Confident73 Ų7334.3 Ų34.328%0.27518%0.182SC..Hα-helixtrans-60.8-43.2171.4-74.1-176-178.6174.62.2111.6F128 T131 A133 L134 G135 I140 V141 L167F128-R137 HydrophobicContact CD2-CB 4.28Å; F128-R137 HydrophobicContact CD2-CG 4.32Å; F128-R137 HydrophobicContact CE2-CB 3.76Å; F128-R137 HydrophobicContact CE2-CG 4.02Å; F128-R137 HydrophobicContact CZ-CB 4.43Å; F128-R137 HydrophobicContact CZ-CG 4.42Å; T131-R137 HydrophobicContact CG2-CG 3.91Å; T131-R137 PolarHBondContact O-NE 2.7Å; T131-R137 PolarHBondContact O-NH2 3.16Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 VanDerWaalsContact O-N 3.11Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.28Å; G135-R137 PolarHBondContact O-N 2.95Å; R137-I140 PolarHBondContact O-N 3.38Å; R137-V141 WeakPolarHBondContact O-CG2 3.38Å; R137-V141 PolarHBondContact O-N 3.16Å; R137-V141 VanDerWaalsContact O-N 3.09Å; R137-L167 HydrophobicContact CB-CD1 4.47Å
138L86.3Confident86.1Confident1 Ų134.1 Ų34.11%0.00518%0.181CC..Hα-helixtrans-63.3-43.7176.2-76.5169.9000111.5L134 G135 H136 I140 V141 F142 L167 I168 R176L134-L138 PolarHBondContact O-N 3.48Å; G135-L138 WeakPolarHBondContact O-CB 3.43Å; G135-L138 PolarHBondContact O-N 2.98Å; H136-L138 VanDerWaalsContact C-N 3.33Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 PolarHBondContact O-N 3.46Å; L138-V141 PolarHBondContact O-N 2.96Å; L138-F142 HydrophobicContact CB-CE2 4.22Å; L138-F142 VanDerWaalsContact O-CD2 3.25Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 WeakPolarHBondContact O-CG 3.31Å; L138-F142 PolarHBondContact O-N 2.99Å; L138-L167 HydrophobicContact CD2-CB 3.55Å; L138-L167 HydrophobicContact CD2-CD1 4.22Å; L138-L167 HydrophobicContact CG-CB 4.16Å; L138-I168 HydrophobicContact CD1-CG1 4.11Å; L138-I168 HydrophobicContact CD2-CD1 4.41Å; L138-I168 HydrophobicContact CD2-CG1 3.69Å; L138-R176 HydrophobicContact CD1-CB 4.45Å
139D85.5Confident85.9Confident20 Ų2032.4 Ų32.411%0.10717%0.174CC..Hα-helixtrans-61.1-40.8179.5-60-22.7000111.4G135 H136 V141 F142 Y143 R176G135-D139 PolarHBondContact O-N 3.5Å; H136-D139 PolarHBondContact O-N 3.06Å; D139-V141 PolarHBondContact O-N 3.46Å; D139-F142 PolarHBondContact O-N 3.45Å; D139-Y143 WeakPolarHBondContact O-CD2 3.49Å; D139-Y143 PolarHBondContact O-N 2.92Å; D139-R176 IonicContact OD1-CZ 3.82Å; D139-R176 IonicContact OD1-NE 3.25Å; D139-R176 PolarHBondContact OD1-NE 3.21Å; D139-R176 IonicContact OD1-NH2 2.88Å; D139-R176 PolarHBondContact OD1-NH2 3.13Å; D139-R176 IonicContact OD2-CZ 2.77Å; D139-R176 IonicContact OD2-NE 3.84Å; D139-R176 IonicContact OD2-NH2 3.83Å; D139-R176 PolarHBondContact OD2-NH2 3.23Å
140I87.8Confident85.8Confident3 Ų327 Ų272%0.01514%0.144CC..Hα-helixtrans-60.9-43.7172.2-68.2164.4000111.6M105 F124 T127 F128 H136 R137 L138 F142 Y143 L144M105-I140 HydrophobicContact CE-CG1 4.29Å; M105-I140 HydrophobicContact SD-CG1 3.98Å; F124-I140 HydrophobicContact CB-CG2 4.05Å; F124-I140 HydrophobicContact CD1-CG2 3.86Å; F124-I140 HydrophobicContact CG-CG2 4.33Å; T127-I140 HydrophobicContact CG2-CD1 3.87Å; F128-I140 HydrophobicContact CB-CG2 4.22Å; F128-I140 HydrophobicContact CD2-CB 4.47Å; F128-I140 HydrophobicContact CD2-CG2 4.17Å; H136-I140 WeakPolarHBondContact O-CG1 3.47Å; H136-I140 PolarHBondContact O-N 2.88Å; R137-I140 PolarHBondContact O-N 3.38Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 PolarHBondContact O-N 3.46Å; I140-F142 VanDerWaalsContact C-N 3.28Å; I140-F142 PolarHBondContact O-N 2.97Å; I140-Y143 WeakPolarHBondContact O-CB 3.28Å; I140-Y143 PolarHBondContact O-N 3.45Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.95Å
141V89.5Confident85.6Confident3 Ų325.8 Ų25.82%0.01814%0.138CC..Hα-helixtrans-64.3-35.3177.61760000111.1F128 R137 L138 D139 L144 L145 N160 A164 L167F128-V141 HydrophobicContact CD2-CG2 4.27Å; F128-V141 HydrophobicContact CE2-CG2 3.78Å; R137-V141 WeakPolarHBondContact O-CG2 3.38Å; R137-V141 PolarHBondContact O-N 3.16Å; R137-V141 VanDerWaalsContact O-N 3.09Å; L138-V141 PolarHBondContact O-N 2.96Å; D139-V141 PolarHBondContact O-N 3.46Å; V141-L144 PolarHBondContact O-N 2.97Å; V141-L145 HydrophobicContact CG1-CD1 4.25Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 3.3Å; V141-N160 HydrophobicContact CG1-CB 4.29Å; V141-N160 WeakPolarHBondContact CG1-O 3.39Å; V141-A164 HydrophobicContact CG1-CB 3.78Å; V141-L167 HydrophobicContact CG2-CD1 3.99Å
142F88.3Confident85.6Confident0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-65.3-37.6172.5-65.1-46.9000112.7L138 D139 I140 L145 R146 R176 R179 L180 Y183L138-F142 HydrophobicContact CB-CE2 4.22Å; L138-F142 VanDerWaalsContact O-CD2 3.25Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 WeakPolarHBondContact O-CG 3.31Å; L138-F142 PolarHBondContact O-N 2.99Å; D139-F142 PolarHBondContact O-N 3.45Å; I140-F142 VanDerWaalsContact C-N 3.28Å; I140-F142 PolarHBondContact O-N 2.97Å; F142-L145 HydrophobicContact CD1-CD1 4.09Å; F142-L145 PolarHBondContact O-N 3.35Å; F142-R146 WeakPolarHBondContact O-CG 3.1Å; F142-R146 PolarHBondContact O-N 2.84Å; F142-R146 PolarHBondContact O-NE 3.43Å; F142-R176 HydrophobicContact CE2-CB 4.09Å; F142-R176 HydrophobicContact CE2-CG 4.17Å; F142-R176 HydrophobicContact CZ-CB 4.27Å; F142-R176 WeakPolarHBondContact CZ-O 3.2Å; F142-R179 HydrophobicContact CZ-CB 4.4Å; F142-L180 HydrophobicContact CE1-CB 3.92Å; F142-L180 HydrophobicContact CE1-CD1 4.11Å; F142-L180 HydrophobicContact CZ-CB 4.25Å; F142-Y183 HydrophobicContact CB-CE2 4.37Å; F142-Y183 AromaticContact CD1-CD2 3.78Å; F142-Y183 HydrophobicContact CD1-CD2 3.78Å; F142-Y183 AromaticContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CE1-CD2 4.12Å; F142-Y183 HydrophobicContact CE1-CE2 4.42Å; F142-Y183 HydrophobicContact CG-CE2 4.24Å
143Y87.7Confident85.8Confident4 Ų427.2 Ų27.22%0.01614%0.139CC..Hα-helixtrans-59.3-45.7169.8-79.6-72.4000111.7P12 N14 M105 E109 I112 F124 D139 I140 L145 R146 I147P12-Y143 WeakPolarHBondContact CG-OH 3.34Å; N14-Y143 HydrophobicContact CB-CE1 4.35Å; N14-Y143 VanDerWaalsContact O-CD1 3.25Å; N14-Y143 WeakPolarHBondContact O-CD1 3.36Å; N14-Y143 WeakPolarHBondContact O-CE1 3.49Å; M105-Y143 HydrophobicContact CE-CD2 3.52Å; M105-Y143 HydrophobicContact CE-CE2 3.18Å; E109-Y143 HydrophobicContact CG-CE1 4.28Å; E109-Y143 VanDerWaalsContact OE1-CZ 3.26Å; E109-Y143 PolarHBondContact OE1-OH 3.26Å; I112-Y143 HydrophobicContact CD1-CD1 3.59Å; I112-Y143 HydrophobicContact CD1-CE1 4.46Å; I112-Y143 HydrophobicContact CD1-CG 4.16Å; F124-Y143 HydrophobicContact CE1-CD2 4.27Å; F124-Y143 HydrophobicContact CE1-CG 4.11Å; F124-Y143 HydrophobicContact CZ-CG 4.23Å; D139-Y143 WeakPolarHBondContact O-CD2 3.49Å; D139-Y143 PolarHBondContact O-N 2.92Å; I140-Y143 WeakPolarHBondContact O-CB 3.28Å; I140-Y143 PolarHBondContact O-N 3.45Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 2.56Å; Y143-R146 VanDerWaalsContact CD1-CZ 3.44Å; Y143-R146 VanDerWaalsContact CE2-NH2 3.31Å; Y143-R146 PolarHBondContact O-N 3.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.41Å; Y143-I147 PolarHBondContact O-N 3.31Å
144L88Confident85.8Confident13 Ų1327.8 Ų27.87%0.06814%0.141CC..Hα-helixtrans-63.9-37.1178.2-66.5174.9000112.9L121 F124 I140 V141 G148 N160L121-L144 HydrophobicContact CD2-CD2 3.53Å; F124-L144 HydrophobicContact CB-CD2 3.78Å; F124-L144 HydrophobicContact CB-CG 4.25Å; F124-L144 HydrophobicContact CD2-CD2 4.18Å; F124-L144 HydrophobicContact CG-CD2 4.19Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.95Å; V141-L144 PolarHBondContact O-N 2.97Å; L144-G148 PolarHBondContact O-N 2.9Å; L144-N160 WeakPolarHBondContact CB-ND2 3.33Å
145L88.4Confident86Confident2 Ų231.1 Ų31.11%0.0116%0.158CC..Hα-helixtrans-65.3-42.6173.8-77.5167.1000111.6V141 F142 Y143 G148 L149 I157 N160 T161 A164 L180 Y183V141-L145 HydrophobicContact CG1-CD1 4.25Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 3.3Å; F142-L145 HydrophobicContact CD1-CD1 4.09Å; F142-L145 PolarHBondContact O-N 3.35Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 2.56Å; L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.99Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-I157 HydrophobicContact CD2-CG2 4.02Å; L145-N160 HydrophobicContact CD2-CB 3.8Å; L145-N160 HydrophobicContact CG-CB 3.96Å; L145-T161 WeakPolarHBondContact CD2-OG1 3.46Å; L145-A164 HydrophobicContact CD1-CB 4.48Å; L145-L180 HydrophobicContact CD1-CD1 4.02Å; L145-Y183 HydrophobicContact CB-CD1 4.27Å
146R85.9Confident86.3Confident2 Ų230.4 Ų30.41%0.00815%0.15CC..Hα-helixtrans-62.1-44.9175.7-75.1175.7-81.2175.91.9112.5P12 N14 P15 F142 Y143 G148 L149 F150 Y183 E212P12-R146 PolarHBondContact O-NH1 3.02Å; N14-R146 PolarHBondContact O-NH1 3.46Å; P15-R146 HydrophobicContact CG-CB 4.37Å; F142-R146 WeakPolarHBondContact O-CG 3.1Å; F142-R146 PolarHBondContact O-N 2.84Å; F142-R146 PolarHBondContact O-NE 3.43Å; Y143-R146 VanDerWaalsContact CD1-CZ 3.44Å; Y143-R146 VanDerWaalsContact CE2-NH2 3.31Å; Y143-R146 PolarHBondContact O-N 3.29Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.23Å; R146-L149 PolarHBondContact O-N 3.26Å; R146-F150 WeakPolarHBondContact O-CB 3.42Å; R146-F150 PolarHBondContact O-N 3.16Å; R146-Y183 WeakPolarHBondContact CD-OH 3.01Å; R146-Y183 HydrophobicContact CG-CE1 3.5Å; R146-Y183 WeakPolarHBondContact CG-OH 3.44Å; R146-E212 IonicContact CZ-OE2 3.76Å; R146-E212 IonicContact NE-OE2 2.7Å; R146-E212 PolarHBondContact NE-OE2 3.17Å; R146-E212 IonicContact NH1-OE2 2.69Å; R146-E212 PolarHBondContact NH1-OE2 2.95Å; R146-E212 IonicContact NH2-OE2 2.72Å
147I86.2Confident86.5Confident6 Ų626.5 Ų26.53%0.03113%0.132CC..Hα-helixtrans-58.5-44.5173.2-63.2169.9000109.9P15 I112 K117 A120 F124 Y143 L149 F150 Y151P15-I147 HydrophobicContact CG-CG1 4.26Å; I112-I147 HydrophobicContact CD1-CD1 3.69Å; I112-I147 HydrophobicContact CD1-CG1 3.98Å; I112-I147 HydrophobicContact CG1-CD1 3.77Å; I112-I147 HydrophobicContact CG1-CG1 4.19Å; K117-I147 HydrophobicContact CG-CG2 4.31Å; A120-I147 HydrophobicContact CB-CD1 4.45Å; F124-I147 HydrophobicContact CD2-CD1 4.26Å; F124-I147 HydrophobicContact CE2-CD1 4.15Å; Y143-I147 WeakPolarHBondContact O-CG1 3.41Å; Y143-I147 PolarHBondContact O-N 3.31Å; I147-L149 PolarHBondContact O-N 3.37Å; I147-F150 PolarHBondContact O-N 3.34Å; I147-Y151 HydrophobicContact CG2-CD2 3.83Å; I147-Y151 HydrophobicContact CG2-CE2 4.08Å; I147-Y151 WeakPolarHBondContact O-CD2 3.47Å; I147-Y151 PolarHBondContact O-N 2.87Å; I147-Y151 VanDerWaalsContact O-N 3.11Å
148G85.7Confident86.7Confident0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-57-45.9176.300000112.8L144 L145 R146 M152 D153L144-G148 PolarHBondContact O-N 2.9Å; L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.99Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.23Å; G148-M152 CarbonylContact O-C 3.49Å; G148-M152 WeakPolarHBondContact O-CA 3.28Å; G148-M152 PolarHBondContact O-N 3.42Å; G148-D153 PolarHBondContact O-N 3.31Å
149L85Confident86.9Confident12 Ų1232.2 Ų32.26%0.06316%0.16CC..Hα-helixtrans-67.3-43177.4-73.7171.5000112.5L145 R146 I147 Y151 M152 I157 Y183 L213L145-L149 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 3.26Å; I147-L149 PolarHBondContact O-N 3.37Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.97Å; L149-M152 WeakPolarHBondContact O-CG 3.23Å; L149-M152 PolarHBondContact O-N 3.28Å; L149-M152 VanDerWaalsContact O-N 3.08Å; L149-M152 VanDerWaalsContact O-SD 3.38Å; L149-I157 HydrophobicContact CD2-CD1 3.86Å; L149-I157 HydrophobicContact CG-CD1 4.25Å; L149-Y183 HydrophobicContact CD1-CD1 3.69Å; L149-Y183 HydrophobicContact CD1-CE1 4.16Å; L149-L213 HydrophobicContact CD1-CD2 4.33Å
150F83.9Confident87.1Confident15 Ų1531.6 Ų31.67%0.06616%0.157CC..Hα-helixtrans-59.5-40.6179.1-177-92.9000112.5P15 L17 I19 A20 Y53 R146 I147P15-F150 HydrophobicContact CB-CD2 4.46Å; L17-F150 HydrophobicContact CD2-CB 4.07Å; L17-F150 HydrophobicContact CD2-CD2 4.25Å; I19-F150 HydrophobicContact CB-CE2 4.38Å; A20-F150 HydrophobicContact CB-CD2 3.71Å; A20-F150 HydrophobicContact CB-CE1 4.48Å; A20-F150 HydrophobicContact CB-CE2 3.38Å; A20-F150 HydrophobicContact CB-CG 4.4Å; A20-F150 HydrophobicContact CB-CZ 3.82Å; Y53-F150 HydrophobicContact CD2-CE1 4Å; Y53-F150 HydrophobicContact CD2-CZ 4.13Å; Y53-F150 HydrophobicContact CE1-CZ 4.32Å; Y53-F150 AromaticContact CE2-CE1 3.45Å; Y53-F150 HydrophobicContact CE2-CE1 3.45Å; Y53-F150 VanDerWaalsContact CE2-CE1 3.45Å; Y53-F150 AromaticContact CE2-CZ 3.43Å; Y53-F150 HydrophobicContact CE2-CZ 3.43Å; Y53-F150 VanDerWaalsContact CE2-CZ 3.43Å; Y53-F150 AromaticContact CZ-CZ 3.52Å; R146-F150 WeakPolarHBondContact O-CB 3.42Å; R146-F150 PolarHBondContact O-N 3.16Å; I147-F150 PolarHBondContact O-N 3.34Å
151Y82.3Confident87.3Confident81 Ų8132 Ų3232%0.31816%0.16SC..THydrogen-bonded Turntrans-91.9-1176.2-69.8-73000114G115 K117 I147 L149 D153G115-Y151 PolarHBondContact O-OH 3.34Å; K117-Y151 HydrophobicContact CB-CE2 3.89Å; K117-Y151 HydrophobicContact CD-CD2 3.91Å; K117-Y151 HydrophobicContact CD-CE2 4.15Å; K117-Y151 HydrophobicContact CD-CG 4.14Å; K117-Y151 HydrophobicContact CG-CD2 4.13Å; K117-Y151 HydrophobicContact CG-CE2 3.99Å; I147-Y151 HydrophobicContact CG2-CD2 3.83Å; I147-Y151 HydrophobicContact CG2-CE2 4.08Å; I147-Y151 WeakPolarHBondContact O-CD2 3.47Å; I147-Y151 PolarHBondContact O-N 2.87Å; I147-Y151 VanDerWaalsContact O-N 3.11Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.97Å; Y151-D153 VanDerWaalsContact C-N 3.29Å; Y151-D153 PolarHBondContact O-N 3.46Å
152M81.8Confident87.3Confident99 Ų9937.7 Ų37.749%0.48819%0.186SC..THydrogen-bonded Turntrans5143.1-175.6-65.2-68.6-7400113.9G148 L149 S154 A190 L287G148-M152 CarbonylContact O-C 3.49Å; G148-M152 WeakPolarHBondContact O-CA 3.28Å; G148-M152 PolarHBondContact O-N 3.42Å; L149-M152 WeakPolarHBondContact O-CG 3.23Å; L149-M152 PolarHBondContact O-N 3.28Å; L149-M152 VanDerWaalsContact O-N 3.08Å; L149-M152 VanDerWaalsContact O-SD 3.38Å; M152-S154 PolarHBondContact O-N 3.49Å; M152-A190 HydrophobicContact CE-CB 3.78Å; M152-L287 HydrophobicContact CE-CD1 4.4Å
153D86.2Confident87.4Confident46 Ų4643.1 Ų43.125%0.24621%0.21CC..  trans-90.997179.7-171-26.2000111K117 G148 Y151 D155 L156 I157K117-D153 IonicContact NZ-OD2 3.55Å; K117-D153 PolarHBondContact NZ-OD2 3.08Å; G148-D153 PolarHBondContact O-N 3.31Å; Y151-D153 VanDerWaalsContact C-N 3.29Å; Y151-D153 PolarHBondContact O-N 3.46Å; D153-D155 VanDerWaalsContact C-N 3.32Å; D153-D155 PolarHBondContact O-N 3.18Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D153-L156 HydrophobicContact CB-CB 4.03Å; D153-L156 PolarHBondContact O-N 2.85Å; D153-L156 PolarHBondContact OD1-N 3.3Å; D153-I157 WeakPolarHBondContact O-CD1 3.49Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.45Å; D153-I157 PolarHBondContact O-N 3.29Å
154S85.4Confident87.4Confident57 Ų5743 Ų4340%0.39921%0.209SC..Hα-helixtrans-59-37.1-176-59.40000113.9M152 I157 T158 Y187M152-S154 PolarHBondContact O-N 3.49Å; S154-I157 PolarHBondContact O-N 3.4Å; S154-T158 WeakPolarHBondContact O-CB 3.34Å; S154-T158 VanDerWaalsContact O-CG2 3.27Å; S154-T158 WeakPolarHBondContact O-CG2 3.49Å; S154-T158 PolarHBondContact O-N 3.09Å; S154-T158 PolarHBondContact O-OG1 3.41Å; S154-Y187 WeakPolarHBondContact CB-OH 3.25Å
155D88.4Confident87.5Confident112 Ų11245.5 Ų45.560%0.59922%0.22SC*.Hα-helixtrans-73.8-33.9-177.7-68.8-27.4000111.6D153 T158 R159D153-D155 VanDerWaalsContact C-N 3.32Å; D153-D155 PolarHBondContact O-N 3.18Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D155-T158 WeakPolarHBondContact CA-OG1 3.3Å; D155-T158 PolarHBondContact O-OG1 3.38Å; D155-R159 WeakPolarHBondContact O-CG 3.32Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 PolarHBondContact O-NE 3.28Å
156L88.6Confident87.6Confident5 Ų547.9 Ų47.93%0.02624%0.236CC..Hα-helixtrans-69.5-44.8173.7-174.361.8000111.1L121 D153 N160L121-L156 HydrophobicContact CD1-CD2 4.46Å; L121-L156 HydrophobicContact CD2-CD1 4.32Å; L121-L156 HydrophobicContact CD2-CD2 4Å; D153-L156 HydrophobicContact CB-CB 4.03Å; D153-L156 PolarHBondContact O-N 2.85Å; D153-L156 PolarHBondContact OD1-N 3.3Å; L156-N160 VanDerWaalsContact CD1-ND2 3.32Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.38Å; L156-N160 WeakPolarHBondContact O-CB 3.5Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.33Å; L156-N160 VanDerWaalsContact O-N 3.14Å; L156-N160 PolarHBondContact O-ND2 2.81Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å
157I89.7Confident87.6Confident3 Ų348.3 Ų48.32%0.01524%0.239CC..Hα-helixtrans-63.9-47.7-178.6-63.2161.6000110.8L145 L149 D153 S154 R159 N160 T161 Y187L145-I157 HydrophobicContact CD2-CG2 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.86Å; L149-I157 HydrophobicContact CG-CD1 4.25Å; D153-I157 WeakPolarHBondContact O-CD1 3.49Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.45Å; D153-I157 PolarHBondContact O-N 3.29Å; S154-I157 PolarHBondContact O-N 3.4Å; I157-R159 PolarHBondContact O-N 3.44Å; I157-N160 PolarHBondContact O-N 3.45Å; I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.35Å; I157-T161 PolarHBondContact O-N 2.86Å; I157-T161 PolarHBondContact O-OG1 3.46Å; I157-Y187 HydrophobicContact CB-CD2 4.05Å; I157-Y187 HydrophobicContact CB-CE2 4.05Å; I157-Y187 HydrophobicContact CB-CG 4.44Å; I157-Y187 HydrophobicContact CD1-CD2 3.59Å; I157-Y187 HydrophobicContact CD1-CE2 3.8Å; I157-Y187 HydrophobicContact CG1-CD2 4.42Å; I157-Y187 HydrophobicContact CG2-CD1 3.9Å; I157-Y187 HydrophobicContact CG2-CD2 3.55Å; I157-Y187 HydrophobicContact CG2-CE1 4.31Å; I157-Y187 HydrophobicContact CG2-CE2 3.99Å; I157-Y187 HydrophobicContact CG2-CG 3.5Å; I157-Y187 VanDerWaalsContact CG2-CG 3.5Å
158T89.8Confident87.7Confident60 Ų6048.6 Ų48.637%0.36824%0.24SC..Hα-helixtrans-60.6-47.2-178.347.40000112.5S154 D155 N160 T161 E162 Y187S154-T158 WeakPolarHBondContact O-CB 3.34Å; S154-T158 VanDerWaalsContact O-CG2 3.27Å; S154-T158 WeakPolarHBondContact O-CG2 3.49Å; S154-T158 PolarHBondContact O-N 3.09Å; S154-T158 PolarHBondContact O-OG1 3.41Å; D155-T158 WeakPolarHBondContact CA-OG1 3.3Å; D155-T158 PolarHBondContact O-OG1 3.38Å; T158-N160 PolarHBondContact O-N 3.47Å; T158-T161 PolarHBondContact O-N 3.19Å; T158-E162 PolarHBondContact O-N 3.06Å; T158-E162 VanDerWaalsContact O-N 3.1Å; T158-Y187 HydrophobicContact CG2-CE1 3.7Å; T158-Y187 WeakPolarHBondContact CG2-OH 3.21Å
159R91.4Very high87.7Confident133 Ų13356.1 Ų56.150%0.50228%0.275SS..Hα-helixtrans-60.9-43.9177.3-73.7-178.4-68.7168.4-4.3112.5D155 I157 K163D155-R159 WeakPolarHBondContact O-CG 3.32Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 PolarHBondContact O-NE 3.28Å; I157-R159 PolarHBondContact O-N 3.44Å; R159-K163 WeakPolarHBondContact O-CG 3.31Å; R159-K163 PolarHBondContact O-N 3.03Å
160N90.3Very high87.7Confident8 Ų862 Ų624%0.04330%0.302CS..Hα-helixtrans-74.9-30-178.9-66.9-28.6000112.2V141 L144 L145 L156 I157 T158 K163 A164V141-N160 HydrophobicContact CG1-CB 4.29Å; V141-N160 WeakPolarHBondContact CG1-O 3.39Å; L144-N160 WeakPolarHBondContact CB-ND2 3.33Å; L145-N160 HydrophobicContact CD2-CB 3.8Å; L145-N160 HydrophobicContact CG-CB 3.96Å; L156-N160 VanDerWaalsContact CD1-ND2 3.32Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.38Å; L156-N160 WeakPolarHBondContact O-CB 3.5Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.33Å; L156-N160 VanDerWaalsContact O-N 3.14Å; L156-N160 PolarHBondContact O-ND2 2.81Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å; I157-N160 PolarHBondContact O-N 3.45Å; T158-N160 PolarHBondContact O-N 3.47Å; N160-K163 PolarHBondContact O-N 3.22Å; N160-A164 WeakPolarHBondContact O-CB 3.43Å; N160-A164 PolarHBondContact O-N 2.86Å
161T90.3Very high87.5Confident11 Ų1163.6 Ų63.67%0.06732%0.323CS..Hα-helixtrans-65.1-43.3174.5-56.40000110.7L145 I157 T158 A164 K165 Q184L145-T161 WeakPolarHBondContact CD2-OG1 3.46Å; I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.35Å; I157-T161 PolarHBondContact O-N 2.86Å; I157-T161 PolarHBondContact O-OG1 3.46Å; T158-T161 PolarHBondContact O-N 3.19Å; T161-A164 PolarHBondContact O-N 3.18Å; T161-K165 WeakPolarHBondContact O-CG 3.48Å; T161-K165 PolarHBondContact O-N 3.39Å; T161-Q184 HydrophobicContact CG2-CB 4.46Å; T161-Q184 HydrophobicContact CG2-CG 4.25Å
162E90.8Very high87.1Confident123 Ų12360.8 Ų60.858%0.57532%0.319SS*.Hα-helixtrans-65.8-43177.7-164.461.7-161.200111.7T158 A164 K165 S166T158-E162 PolarHBondContact O-N 3.06Å; T158-E162 VanDerWaalsContact O-N 3.1Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.4Å; E162-K165 WeakPolarHBondContact O-CB 3.39Å; E162-K165 PolarHBondContact O-N 2.95Å; E162-S166 PolarHBondContact O-N 3.32Å; E162-S166 VanDerWaalsContact O-N 3.12Å
163K89.3Confident86.9Confident114 Ų11460.3 Ų60.350%0.49632%0.318SS..Hα-helixtrans-60.6-39.8172.8-72.5179.1177.8-170.30112.7R159 N160 K165 S166 L167R159-K163 WeakPolarHBondContact O-CG 3.31Å; R159-K163 PolarHBondContact O-N 3.03Å; N160-K163 PolarHBondContact O-N 3.22Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K163-S166 PolarHBondContact O-N 2.92Å; K163-S166 PolarHBondContact O-OG 2.74Å; K163-L167 VanDerWaalsContact O-CG 3.26Å; K163-L167 WeakPolarHBondContact O-CG 3.22Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.13Å
164A89.3Confident86.8Confident0 Ų065.6 Ų65.60%034%0.335CS..Hα-helixtrans-64.4-40.7176.600000111.1V141 L145 N160 T161 E162 L167 I168 L180V141-A164 HydrophobicContact CG1-CB 3.78Å; L145-A164 HydrophobicContact CD1-CB 4.48Å; N160-A164 WeakPolarHBondContact O-CB 3.43Å; N160-A164 PolarHBondContact O-N 2.86Å; T161-A164 PolarHBondContact O-N 3.18Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.4Å; A164-L167 PolarHBondContact O-N 2.69Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.14Å; A164-I168 PolarHBondContact O-N 3.41Å; A164-L180 HydrophobicContact CB-CD1 3.5Å; A164-L180 HydrophobicContact CB-CD2 3.77Å; A164-L180 HydrophobicContact CB-CG 4.28Å
165K89.6Confident86.7Confident67 Ų6765.3 Ų65.329%0.29133%0.329SS..Hα-helixtrans-60.3-47.6176.7-73.1175.7-176.4171.50112.1T161 E162 K163 L167 I168 E169 L180T161-K165 WeakPolarHBondContact O-CG 3.48Å; T161-K165 PolarHBondContact O-N 3.39Å; E162-K165 WeakPolarHBondContact O-CB 3.39Å; E162-K165 PolarHBondContact O-N 2.95Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.99Å; K165-I168 PolarHBondContact O-N 3.31Å; K165-E169 WeakPolarHBondContact O-CG 3.42Å; K165-E169 PolarHBondContact O-N 3Å; K165-L180 HydrophobicContact CG-CD2 4.05Å
166S89.9Confident86.4Confident52 Ų5262.4 Ų62.436%0.36431%0.31SS..Hα-helixtrans-61-44.2178.8660000111.8E162 K163 I168 E169 E170E162-S166 PolarHBondContact O-N 3.32Å; E162-S166 VanDerWaalsContact O-N 3.12Å; K163-S166 PolarHBondContact O-N 2.92Å; K163-S166 PolarHBondContact O-OG 2.74Å; S166-I168 VanDerWaalsContact C-N 3.3Å; S166-I168 PolarHBondContact O-N 3.39Å; S166-E169 PolarHBondContact O-N 3.46Å; S166-E170 WeakPolarHBondContact O-CG 3.07Å; S166-E170 PolarHBondContact O-N 2.88Å; S166-E170 VanDerWaalsContact O-N 3.1Å
167L87Confident86.4Confident11 Ų1168.1 Ų68.16%0.05833%0.331CS..Hα-helixtrans-65.7-31.4178.1-68.4170.9000112.8F128 L134 R137 L138 V141 K163 A164 K165F128-L167 HydrophobicContact CE2-CD1 4.07Å; F128-L167 HydrophobicContact CZ-CD1 4.15Å; L134-L167 HydrophobicContact CD1-CB 4.22Å; L134-L167 HydrophobicContact CD1-CD2 3.76Å; R137-L167 HydrophobicContact CB-CD1 4.47Å; L138-L167 HydrophobicContact CD2-CB 3.55Å; L138-L167 HydrophobicContact CD2-CD1 4.22Å; L138-L167 HydrophobicContact CG-CB 4.16Å; V141-L167 HydrophobicContact CG2-CD1 3.99Å; K163-L167 VanDerWaalsContact O-CG 3.26Å; K163-L167 WeakPolarHBondContact O-CG 3.22Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.13Å; A164-L167 PolarHBondContact O-N 2.69Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.99Å
168I87.6Confident86.3Confident12 Ų1268.3 Ų68.36%0.06233%0.332CS..Hα-helixtrans-74.2-35.2175.9-69.8-175.7000111.5L138 A164 K165 S166 E170 G171 G172 R177 L180L138-I168 HydrophobicContact CD1-CG1 4.11Å; L138-I168 HydrophobicContact CD2-CD1 4.41Å; L138-I168 HydrophobicContact CD2-CG1 3.69Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.14Å; A164-I168 PolarHBondContact O-N 3.41Å; K165-I168 PolarHBondContact O-N 3.31Å; S166-I168 VanDerWaalsContact C-N 3.3Å; S166-I168 PolarHBondContact O-N 3.39Å; I168-E170 VanDerWaalsContact C-N 3.3Å; I168-G171 PolarHBondContact O-N 3.48Å; I168-G172 PolarHBondContact O-N 3.47Å; I168-R177 HydrophobicContact CD1-CB 4.46Å; I168-R177 HydrophobicContact CG2-CB 4.14Å; I168-R177 HydrophobicContact CG2-CG 3.98Å; I168-L180 HydrophobicContact CD1-CB 3.72Å; I168-L180 HydrophobicContact CD1-CD2 3.41Å; I168-L180 VanDerWaalsContact CD1-CD2 3.41Å; I168-L180 HydrophobicContact CD1-CG 4.17Å; I168-L180 HydrophobicContact CG1-CD2 4.39Å
169E86.1Confident86.1Confident157 Ų15766.5 Ų66.573%0.73432%0.318SS*.Hα-helixtrans-66.1-33.3174.2-72.3178.3-176.700112.5K165 S166 G171K165-E169 WeakPolarHBondContact O-CG 3.42Å; K165-E169 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 3.46Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.46Å
170E85Confident86.1Confident135 Ų13560.6 Ų60.663%0.63130%0.296SS*.Hα-helixtrans-68.4-22.5177-74.1173.9-167.200113.8S166 I168S166-E170 WeakPolarHBondContact O-CG 3.07Å; S166-E170 PolarHBondContact O-N 2.88Å; S166-E170 VanDerWaalsContact O-N 3.1Å; I168-E170 VanDerWaalsContact C-N 3.3Å
171G78.3Confident86.1Confident49 Ų4962.7 Ų62.751%0.50531%0.305SS..Hα-helixtrans154.635.2178.300000115.5L134 I168 E169L134-G171 VanDerWaalsContact CD2-C 3.41Å; L134-G171 WeakPolarHBondContact CD2-O 3.4Å; I168-G171 PolarHBondContact O-N 3.48Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.46Å
172G74.9Confident86.2Confident22 Ų2262.2 Ų62.223%0.22730%0.302CS..  trans-73.1137.2-178.800000113.1I168I168-G172 PolarHBondContact O-N 3.47Å
173D78.1Confident86.1Confident89 Ų8956.5 Ų56.548%0.47628%0.275SS..  trans-58.1149.1172.3-61.5-48.5000111.8D175 R176 R177D173-D175 VanDerWaalsContact C-N 3.3Å; D173-D175 PolarHBondContact O-N 3.34Å; D173-R176 HydrophobicContact CB-CG 4.49Å; D173-R176 PolarHBondContact O-N 3.29Å; D173-R176 IonicContact OD2-CZ 3.7Å; D173-R176 IonicContact OD2-NH1 3.75Å; D173-R176 PolarHBondContact OD2-NH1 3.37Å; D173-R177 PolarHBondContact O-N 3.03Å
174W82.9Confident86.2Confident158 Ų15852.1 Ų52.160%0.59826%0.257SS*.Hα-helixtrans-59-38.9-178.5-170.989000112.9R177 N178 T207W174-R177 WeakPolarHBondContact O-CB 3.33Å; W174-R177 PolarHBondContact O-N 3.11Å; W174-N178 VanDerWaalsContact CE3-ND2 3.35Å; W174-N178 WeakPolarHBondContact CH2-ND2 3.38Å; W174-N178 WeakPolarHBondContact CZ2-ND2 3.41Å; W174-N178 WeakPolarHBondContact CZ3-ND2 3.44Å; W174-N178 PolarHBondContact O-N 3.08Å; W174-T207 HydrophobicContact CH2-CG2 3.34Å; W174-T207 WeakPolarHBondContact CH2-OG1 3.45Å; W174-T207 HydrophobicContact CZ3-CG2 3.63Å
175D82.9Confident86.3Confident51 Ų5152.1 Ų52.127%0.27326%0.257SS..Hα-helixtrans-62.8-47176.1178.868.2000112.1D173 R177 N178 R179 T209D173-D175 VanDerWaalsContact C-N 3.3Å; D173-D175 PolarHBondContact O-N 3.34Å; D175-R177 PolarHBondContact O-N 3.35Å; D175-N178 PolarHBondContact O-N 2.91Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 3.48Å; D175-R179 IonicContact OD2-CZ 3.17Å; D175-R179 IonicContact OD2-NE 2.77Å; D175-R179 PolarHBondContact OD2-NE 3.06Å; D175-R179 IonicContact OD2-NH1 2.9Å; D175-R179 IonicContact OD2-NH2 2.65Å; D175-R179 PolarHBondContact OD2-NH2 2.69Å; D175-T209 WeakPolarHBondContact OD1-CB 3.25Å; D175-T209 WeakPolarHBondContact OD1-CG2 3.34Å; D175-T209 PolarHBondContact OD1-OG1 3.16Å
176R83.6Confident86.3Confident51 Ų5149.5 Ų49.519%0.19225%0.246CC..Hα-helixtrans-61-32.3176.5-69.7-177.216891.42112L138 D139 F142 D173 R179 L180L138-R176 HydrophobicContact CD1-CB 4.45Å; D139-R176 IonicContact OD1-CZ 3.82Å; D139-R176 IonicContact OD1-NE 3.25Å; D139-R176 PolarHBondContact OD1-NE 3.21Å; D139-R176 IonicContact OD1-NH2 2.88Å; D139-R176 PolarHBondContact OD1-NH2 3.13Å; D139-R176 IonicContact OD2-CZ 2.77Å; D139-R176 IonicContact OD2-NE 3.84Å; D139-R176 IonicContact OD2-NH2 3.83Å; D139-R176 PolarHBondContact OD2-NH2 3.23Å; F142-R176 HydrophobicContact CE2-CB 4.09Å; F142-R176 HydrophobicContact CE2-CG 4.17Å; F142-R176 HydrophobicContact CZ-CB 4.27Å; F142-R176 WeakPolarHBondContact CZ-O 3.2Å; D173-R176 HydrophobicContact CB-CG 4.49Å; D173-R176 PolarHBondContact O-N 3.29Å; D173-R176 IonicContact OD2-CZ 3.7Å; D173-R176 IonicContact OD2-NH1 3.75Å; D173-R176 PolarHBondContact OD2-NH1 3.37Å; R176-R179 PolarHBondContact O-N 3.42Å; R176-L180 PolarHBondContact O-N 3.09Å
177R86.8Confident86.3Confident125 Ų12548.4 Ų48.447%0.47223%0.234SC..Hα-helixtrans-63.9-42172.9-168.1175.6-139.2164.97.1112.4I168 D173 W174 D175 L180 K181I168-R177 HydrophobicContact CD1-CB 4.46Å; I168-R177 HydrophobicContact CG2-CB 4.14Å; I168-R177 HydrophobicContact CG2-CG 3.98Å; D173-R177 PolarHBondContact O-N 3.03Å; W174-R177 WeakPolarHBondContact O-CB 3.33Å; W174-R177 PolarHBondContact O-N 3.11Å; D175-R177 PolarHBondContact O-N 3.35Å; R177-L180 PolarHBondContact O-N 3.12Å; R177-K181 WeakPolarHBondContact O-CG 3.08Å; R177-K181 PolarHBondContact O-N 3.22Å; R177-K181 VanDerWaalsContact O-N 3.08Å
178N87.8Confident86.5Confident6 Ų648 Ų483%0.03223%0.232CC..Hα-helixtrans-68.2-41.3177.3-67.4-14.7000111.6W174 D175 L180 K181 V182 T204 T207W174-N178 VanDerWaalsContact CE3-ND2 3.35Å; W174-N178 WeakPolarHBondContact CH2-ND2 3.38Å; W174-N178 WeakPolarHBondContact CZ2-ND2 3.41Å; W174-N178 WeakPolarHBondContact CZ3-ND2 3.44Å; W174-N178 PolarHBondContact O-N 3.08Å; D175-N178 PolarHBondContact O-N 2.91Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.83Å; N178-K181 WeakPolarHBondContact O-CB 3.49Å; N178-K181 PolarHBondContact O-N 2.87Å; N178-K181 VanDerWaalsContact O-N 3.11Å; N178-V182 WeakPolarHBondContact O-CG2 3.39Å; N178-V182 PolarHBondContact O-N 3.15Å; N178-T204 HydrophobicContact CB-CG2 4.2Å; N178-T207 PolarHBondContact ND2-OG1 3.27Å
179R87.2Confident86.7Confident22 Ų2247.5 Ų47.58%0.08323%0.229CC..Hα-helixtrans-57.5-47.1173.6-62.3-173.9-177.5177.8-2.7111.2E9 L11 F142 D175 R176 K181 V182 Y183 T209 S210E9-R179 PolarHBondContact O-NH2 3.01Å; L11-R179 VanDerWaalsContact CD1-NH1 3.35Å; L11-R179 VanDerWaalsContact CG-NH1 3.29Å; F142-R179 HydrophobicContact CZ-CB 4.4Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 3.48Å; D175-R179 IonicContact OD2-CZ 3.17Å; D175-R179 IonicContact OD2-NE 2.77Å; D175-R179 PolarHBondContact OD2-NE 3.06Å; D175-R179 IonicContact OD2-NH1 2.9Å; D175-R179 IonicContact OD2-NH2 2.65Å; D175-R179 PolarHBondContact OD2-NH2 2.69Å; R176-R179 PolarHBondContact O-N 3.42Å; R179-K181 VanDerWaalsContact C-N 3.29Å; R179-K181 PolarHBondContact O-N 3.35Å; R179-V182 WeakPolarHBondContact O-CB 3.33Å; R179-V182 PolarHBondContact O-N 3.01Å; R179-Y183 HydrophobicContact CB-CE2 4.48Å; R179-Y183 WeakPolarHBondContact O-CD2 3.47Å; R179-Y183 PolarHBondContact O-N 2.88Å; R179-T209 PolarHBondContact NE-OG1 3.08Å; R179-S210 WeakPolarHBondContact CG-OG 3.36Å
180L89.9Confident86.8Confident9 Ų940.8 Ų40.85%0.04720%0.201CC..Hα-helixtrans-57.7-41.5176.1-177.462.2000112.3F142 L145 A164 K165 I168 R176 R177 N178 V182 Y183 Q184F142-L180 HydrophobicContact CE1-CB 3.92Å; F142-L180 HydrophobicContact CE1-CD1 4.11Å; F142-L180 HydrophobicContact CZ-CB 4.25Å; L145-L180 HydrophobicContact CD1-CD1 4.02Å; A164-L180 HydrophobicContact CB-CD1 3.5Å; A164-L180 HydrophobicContact CB-CD2 3.77Å; A164-L180 HydrophobicContact CB-CG 4.28Å; K165-L180 HydrophobicContact CG-CD2 4.05Å; I168-L180 HydrophobicContact CD1-CB 3.72Å; I168-L180 HydrophobicContact CD1-CD2 3.41Å; I168-L180 VanDerWaalsContact CD1-CD2 3.41Å; I168-L180 HydrophobicContact CD1-CG 4.17Å; I168-L180 HydrophobicContact CG1-CD2 4.39Å; R176-L180 PolarHBondContact O-N 3.09Å; R177-L180 PolarHBondContact O-N 3.12Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.83Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.35Å; L180-Y183 PolarHBondContact O-N 2.85Å; L180-Q184 WeakPolarHBondContact O-CB 2.91Å; L180-Q184 PolarHBondContact O-N 3.39Å
181K91.1Very high86.9Confident52 Ų5238.2 Ų38.223%0.22619%0.191CC..Hα-helixtrans-59.9-40.6175.7-74.1-174.2177.3-170.70111.8R177 N178 R179 Q184 G185 L200 D203 T204R177-K181 WeakPolarHBondContact O-CG 3.08Å; R177-K181 PolarHBondContact O-N 3.22Å; R177-K181 VanDerWaalsContact O-N 3.08Å; N178-K181 WeakPolarHBondContact O-CB 3.49Å; N178-K181 PolarHBondContact O-N 2.87Å; N178-K181 VanDerWaalsContact O-N 3.11Å; R179-K181 VanDerWaalsContact C-N 3.29Å; R179-K181 PolarHBondContact O-N 3.35Å; K181-Q184 PolarHBondContact O-N 3.25Å; K181-G185 PolarHBondContact O-N 3.42Å; K181-L200 HydrophobicContact CB-CD2 4.17Å; K181-L200 HydrophobicContact CD-CD2 4.35Å; K181-L200 HydrophobicContact CG-CD2 3.93Å; K181-D203 HydrophobicContact CD-CB 4.3Å; K181-D203 IonicContact NZ-OD2 3.71Å; K181-D203 PolarHBondContact NZ-OD2 3.3Å; K181-T204 HydrophobicContact CB-CG2 3.51Å; K181-T204 HydrophobicContact CD-CG2 3.76Å; K181-T204 HydrophobicContact CG-CG2 4.29Å
182V91.3Very high87.5Confident1 Ų142 Ų421%0.00619%0.19CC..Hα-helixtrans-64.3-46.6175.9179.90000111N178 R179 L180 Q184 G185 L186 T204 F208 L213 F219N178-V182 WeakPolarHBondContact O-CG2 3.39Å; N178-V182 PolarHBondContact O-N 3.15Å; R179-V182 WeakPolarHBondContact O-CB 3.33Å; R179-V182 PolarHBondContact O-N 3.01Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.32Å; V182-G185 PolarHBondContact O-N 2.97Å; V182-L186 HydrophobicContact CG1-CD1 4.26Å; V182-L186 PolarHBondContact O-N 3.05Å; V182-T204 HydrophobicContact CG2-CG2 4.2Å; V182-F208 HydrophobicContact CG1-CE2 4.11Å; V182-F208 HydrophobicContact CG2-CD2 4.19Å; V182-F208 HydrophobicContact CG2-CE2 4.24Å; V182-L213 HydrophobicContact CB-CD1 4.36Å; V182-L213 HydrophobicContact CG1-CD1 3.63Å; V182-F219 HydrophobicContact CG1-CD2 4.36Å; V182-F219 HydrophobicContact CG1-CE2 3.96Å; V182-F219 HydrophobicContact CG2-CE2 4.17Å; V182-F219 HydrophobicContact CG2-CZ 4.29Å
183Y90.4Very high88.2Confident3 Ų343.8 Ų43.81%0.01219%0.194CC..Hα-helixtrans-57.9-47175.4-80.4-72000112.5F142 L145 R146 L149 R179 L180 L186 Y187 E212 L213F142-Y183 HydrophobicContact CB-CE2 4.37Å; F142-Y183 AromaticContact CD1-CD2 3.78Å; F142-Y183 HydrophobicContact CD1-CD2 3.78Å; F142-Y183 AromaticContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CE1-CD2 4.12Å; F142-Y183 HydrophobicContact CE1-CE2 4.42Å; F142-Y183 HydrophobicContact CG-CE2 4.24Å; L145-Y183 HydrophobicContact CB-CD1 4.27Å; R146-Y183 WeakPolarHBondContact CD-OH 3.01Å; R146-Y183 HydrophobicContact CG-CE1 3.5Å; R146-Y183 WeakPolarHBondContact CG-OH 3.44Å; L149-Y183 HydrophobicContact CD1-CD1 3.69Å; L149-Y183 HydrophobicContact CD1-CE1 4.16Å; R179-Y183 HydrophobicContact CB-CE2 4.48Å; R179-Y183 WeakPolarHBondContact O-CD2 3.47Å; R179-Y183 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 2.85Å; Y183-L186 PolarHBondContact O-N 3.4Å; Y183-Y187 PolarHBondContact O-N 3.48Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å; Y183-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y183-E212 PolarHBondContact OH-OE1 3.25Å; Y183-E212 PolarHBondContact OH-OE2 3.03Å; Y183-L213 HydrophobicContact CD1-CD1 3.93Å; Y183-L213 HydrophobicContact CD1-CD2 4.02Å; Y183-L213 HydrophobicContact CD1-CG 4.46Å; Y183-L213 HydrophobicContact CD2-CD1 4.28Å; Y183-L213 HydrophobicContact CE1-CD1 3.73Å; Y183-L213 HydrophobicContact CE1-CD2 3.41Å; Y183-L213 VanDerWaalsContact CE1-CD2 3.41Å; Y183-L213 HydrophobicContact CE1-CG 3.84Å; Y183-L213 HydrophobicContact CE2-CD1 4.05Å; Y183-L213 HydrophobicContact CG-CD1 4.19Å
184Q90.3Very high88.9Confident22 Ų2239.9 Ų39.910%0.10317%0.173CC..Hα-helixtrans-65.2-41.8177.9-173.6-179.5-14.300110.9T161 L180 K181 V182 Y187 C188 L200T161-Q184 HydrophobicContact CG2-CB 4.46Å; T161-Q184 HydrophobicContact CG2-CG 4.25Å; L180-Q184 WeakPolarHBondContact O-CB 2.91Å; L180-Q184 PolarHBondContact O-N 3.39Å; K181-Q184 PolarHBondContact O-N 3.25Å; V182-Q184 PolarHBondContact O-N 3.32Å; Q184-Y187 PolarHBondContact O-N 3.14Å; Q184-C188 WeakPolarHBondContact O-CB 3.45Å; Q184-C188 PolarHBondContact O-N 3.15Å; Q184-C188 PolarHBondContact O-SG 2.99Å; Q184-L200 HydrophobicContact CB-CD1 3.98Å; Q184-L200 HydrophobicContact CG-CD1 3.7Å
185G91.3Very high89.3Confident0 Ų039.9 Ų39.90%018%0.177CC..Hα-helixtrans-60.6-45.417700000112.4K181 V182 Y187 C188 V189K181-G185 PolarHBondContact O-N 3.42Å; V182-G185 PolarHBondContact O-N 2.97Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.3Å; G185-C188 WeakPolarHBondContact O-CB 3.41Å; G185-C188 PolarHBondContact O-N 3.01Å; G185-V189 WeakPolarHBondContact O-CG2 3.37Å; G185-V189 PolarHBondContact O-N 3.34Å
186L89.8Confident89.8Confident13 Ų1341 Ų417%0.06818%0.181CC..Hα-helixtrans-57.1-46.2173.4-90.3160.3000112.3V182 Y183 V189 A190 F201 L213 M214 L287V182-L186 HydrophobicContact CG1-CD1 4.26Å; V182-L186 PolarHBondContact O-N 3.05Å; Y183-L186 PolarHBondContact O-N 3.4Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 3.45Å; L186-A190 PolarHBondContact O-N 3.28Å; L186-A190 VanDerWaalsContact O-N 3.08Å; L186-F201 HydrophobicContact CG-CZ 4.49Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 3.62Å; L186-L213 HydrophobicContact CD1-CD2 3.89Å; L186-L213 HydrophobicContact CD1-CG 4.16Å; L186-M214 HydrophobicContact CD1-CE 3.74Å; L186-M214 HydrophobicContact CD2-CE 3.58Å; L186-M214 HydrophobicContact CG-CE 3.88Å; L186-L287 HydrophobicContact CD2-CD2 3.57Å
187Y90.9Very high90.3Very high29 Ų2938.6 Ų38.611%0.11417%0.172CC..Hα-helixtrans-65.5-39.9176.6-178.7-115.4000112.3S154 I157 T158 Y183 Q184 G185 V189 A190 I191S154-Y187 WeakPolarHBondContact CB-OH 3.25Å; I157-Y187 HydrophobicContact CB-CD2 4.05Å; I157-Y187 HydrophobicContact CB-CE2 4.05Å; I157-Y187 HydrophobicContact CB-CG 4.44Å; I157-Y187 HydrophobicContact CD1-CD2 3.59Å; I157-Y187 HydrophobicContact CD1-CE2 3.8Å; I157-Y187 HydrophobicContact CG1-CD2 4.42Å; I157-Y187 HydrophobicContact CG2-CD1 3.9Å; I157-Y187 HydrophobicContact CG2-CD2 3.55Å; I157-Y187 HydrophobicContact CG2-CE1 4.31Å; I157-Y187 HydrophobicContact CG2-CE2 3.99Å; I157-Y187 HydrophobicContact CG2-CG 3.5Å; I157-Y187 VanDerWaalsContact CG2-CG 3.5Å; T158-Y187 HydrophobicContact CG2-CE1 3.7Å; T158-Y187 WeakPolarHBondContact CG2-OH 3.21Å; Y183-Y187 PolarHBondContact O-N 3.48Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å; Q184-Y187 PolarHBondContact O-N 3.14Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.3Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.21Å; Y187-A190 WeakPolarHBondContact O-CA 3.4Å; Y187-A190 VanDerWaalsContact O-CB 3.32Å; Y187-A190 WeakPolarHBondContact O-CB 3.41Å; Y187-A190 PolarHBondContact O-N 3.24Å; Y187-I191 HydrophobicContact CD2-CG2 4.48Å; Y187-I191 HydrophobicContact CE1-CD1 4.34Å; Y187-I191 HydrophobicContact CE1-CG2 4.17Å; Y187-I191 HydrophobicContact CE2-CG2 3.89Å; Y187-I191 PolarHBondContact O-N 3.37Å; Y187-I191 VanDerWaalsContact O-N 3.09Å
188C91Very high90.6Very high3 Ų332.7 Ų32.72%0.0215%0.149CC..Hα-helixtrans-58.6-39.3174-73.20000111.6Q184 G185 I191 R192 D193 Q196 A197Q184-C188 WeakPolarHBondContact O-CB 3.45Å; Q184-C188 PolarHBondContact O-N 3.15Å; Q184-C188 PolarHBondContact O-SG 2.99Å; G185-C188 WeakPolarHBondContact O-CB 3.41Å; G185-C188 PolarHBondContact O-N 3.01Å; C188-I191 VanDerWaalsContact O-CG1 3.29Å; C188-I191 WeakPolarHBondContact O-CG1 3.43Å; C188-I191 PolarHBondContact O-N 2.89Å; C188-R192 PolarHBondContact O-N 3.44Å; C188-D193 HydrophobicContact CB-CB 4.39Å; C188-D193 PolarHBondContact O-N 3.04Å; C188-Q196 PolarHBondContact SG-OE1 3Å; C188-A197 HydrophobicContact CB-CB 3.81Å
189V90.6Very high90.9Very high0 Ų038.3 Ų38.30%018%0.176CC..Hα-helixtrans-62.6-43.7172.4174.60000111.3G185 L186 Y187 I191 R192 F194 A197 F201 V226 L287 F288G185-V189 WeakPolarHBondContact O-CG2 3.37Å; G185-V189 PolarHBondContact O-N 3.34Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 3.45Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.21Å; V189-I191 PolarHBondContact O-N 2.94Å; V189-R192 PolarHBondContact O-N 3Å; V189-R192 VanDerWaalsContact O-N 3.09Å; V189-F194 HydrophobicContact CG1-CE1 4.25Å; V189-A197 HydrophobicContact CG2-CB 3.73Å; V189-F201 HydrophobicContact CG2-CE2 3.72Å; V189-F201 HydrophobicContact CG2-CZ 4.1Å; V189-V226 HydrophobicContact CG2-CG2 3.8Å; V189-L287 HydrophobicContact CB-CD2 4.19Å; V189-L287 HydrophobicContact CG1-CD2 3.79Å; V189-L287 HydrophobicContact CG1-CG 3.97Å; V189-F288 HydrophobicContact CG1-CD1 4.04Å; V189-F288 HydrophobicContact CG1-CE1 3.43Å; V189-F288 VanDerWaalsContact CG1-CE1 3.43Å; V189-F288 HydrophobicContact CG1-CE2 4.2Å; V189-F288 HydrophobicContact CG1-CZ 3.53Å
190A87.8Confident91.2Very high16 Ų1638.2 Ų38.213%0.13218%0.177CC..Hα-helixtrans-60.6-29.617800000113.8M152 L186 Y187 L287 H291M152-A190 HydrophobicContact CE-CB 3.78Å; L186-A190 PolarHBondContact O-N 3.28Å; L186-A190 VanDerWaalsContact O-N 3.08Å; Y187-A190 WeakPolarHBondContact O-CA 3.4Å; Y187-A190 VanDerWaalsContact O-CB 3.32Å; Y187-A190 WeakPolarHBondContact O-CB 3.41Å; Y187-A190 PolarHBondContact O-N 3.24Å; A190-L287 HydrophobicContact CB-CD1 3.79Å; A190-H291 PolarHBondContact O-NE2 2.86Å
191I89.1Confident91.3Very high82 Ų8237.9 Ų37.942%0.42118%0.175SC..THydrogen-bonded Turntrans-96.64.6177.966.1173.4000113.7Y187 C188 V189 D193Y187-I191 HydrophobicContact CD2-CG2 4.48Å; Y187-I191 HydrophobicContact CE1-CD1 4.34Å; Y187-I191 HydrophobicContact CE1-CG2 4.17Å; Y187-I191 HydrophobicContact CE2-CG2 3.89Å; Y187-I191 PolarHBondContact O-N 3.37Å; Y187-I191 VanDerWaalsContact O-N 3.09Å; C188-I191 VanDerWaalsContact O-CG1 3.29Å; C188-I191 WeakPolarHBondContact O-CG1 3.43Å; C188-I191 PolarHBondContact O-N 2.89Å; V189-I191 PolarHBondContact O-N 2.94Å; I191-D193 HydrophobicContact CD1-CB 4.37Å; I191-D193 HydrophobicContact CG1-CB 4.23Å
192R88.9Confident91.3Very high127 Ų12736.5 Ų36.548%0.47917%0.17SC..THydrogen-bonded Turntrans69.418.6-175.7-49.8176.9-175.91663116.1C188 V189 F194 H291C188-R192 PolarHBondContact O-N 3.44Å; V189-R192 PolarHBondContact O-N 3Å; V189-R192 VanDerWaalsContact O-N 3.09Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 HydrophobicContact CB-CE2 4.04Å; R192-F194 WeakPolarHBondContact O-CD2 3.18Å; R192-F194 PolarHBondContact O-N 3.44Å; R192-F194 VanDerWaalsContact O-N 3.12Å; R192-H291 HydrophobicContact CG-CB 4.47Å; R192-H291 PolarHBondContact NE-CE1 3.47Å; R192-H291 PolarHBondContact NE-ND1 3.45Å; R192-H291 PolarHBondContact NH2-ND1 3.24Å
193D91.1Very high91.2Very high60 Ų6040.3 Ų40.332%0.32119%0.19SC..  trans-85.877.1170.1-163.3-18.4000111C188 I191 K195 Q196 A197C188-D193 HydrophobicContact CB-CB 4.39Å; C188-D193 PolarHBondContact O-N 3.04Å; I191-D193 HydrophobicContact CD1-CB 4.37Å; I191-D193 HydrophobicContact CG1-CB 4.23Å; D193-K195 PolarHBondContact O-N 3.45Å; D193-K195 PolarHBondContact OD1-N 3.35Å; D193-Q196 PolarHBondContact OD1-N 3.28Å; D193-Q196 VanDerWaalsContact OD1-N 3.15Å; D193-A197 VanDerWaalsContact O-CB 3.31Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.4Å; D193-A197 VanDerWaalsContact O-N 3.15Å
194F91.7Very high91.2Very high7 Ų740.1 Ų40.13%0.03119%0.189CC..Hα-helixtrans-67.9-23.8179.3-62-69.3000113V189 R192 A198 V226 I229 A230 F288 Y294V189-F194 HydrophobicContact CG1-CE1 4.25Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 HydrophobicContact CB-CE2 4.04Å; R192-F194 WeakPolarHBondContact O-CD2 3.18Å; R192-F194 PolarHBondContact O-N 3.44Å; R192-F194 VanDerWaalsContact O-N 3.12Å; F194-A198 WeakPolarHBondContact O-CB 3.33Å; F194-A198 PolarHBondContact O-N 2.9Å; F194-V226 HydrophobicContact CB-CG1 4.14Å; F194-V226 HydrophobicContact CD1-CG1 4.15Å; F194-V226 HydrophobicContact CD1-CG2 4.08Å; F194-V226 WeakPolarHBondContact O-CG1 3.25Å; F194-I229 HydrophobicContact CB-CG2 4.21Å; F194-I229 HydrophobicContact CD2-CG2 4.44Å; F194-I229 HydrophobicContact CG-CG2 4.45Å; F194-A230 WeakPolarHBondContact O-CB 3.27Å; F194-F288 HydrophobicContact CE1-CE1 4.21Å; F194-Y294 HydrophobicContact CD2-CD1 4.45Å; F194-Y294 AromaticContact CD2-CE1 3.81Å; F194-Y294 HydrophobicContact CD2-CE1 3.81Å; F194-Y294 AromaticContact CE2-CD1 3.66Å; F194-Y294 HydrophobicContact CE2-CD1 3.66Å; F194-Y294 AromaticContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CE2-CE1 3.46Å; F194-Y294 VanDerWaalsContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CZ-CD1 4.47Å
195K92.5Very high91.1Very high159 Ų15939.3 Ų39.369%0.69119%0.186SC*.Hα-helixtrans-70.6-51.9-178.3-70-175.9179.8-179.10110.8D193 A197 A198 E199 A230D193-K195 PolarHBondContact O-N 3.45Å; D193-K195 PolarHBondContact OD1-N 3.35Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A198 PolarHBondContact O-N 2.92Å; K195-E199 PolarHBondContact O-N 3.49Å; K195-A230 HydrophobicContact CG-CB 4.46Å
196Q92.8Very high90.7Very high75 Ų7542.7 Ų42.735%0.3521%0.21SC..Hα-helixtrans-66.1-39176.9-169.9173.224.100111.1C188 D193 A198 E199 L200C188-Q196 PolarHBondContact SG-OE1 3Å; D193-Q196 PolarHBondContact OD1-N 3.28Å; D193-Q196 VanDerWaalsContact OD1-N 3.15Å; Q196-A198 PolarHBondContact O-N 2.9Å; Q196-E199 PolarHBondContact O-N 3.34Å; Q196-L200 HydrophobicContact CG-CD1 4.02Å; Q196-L200 HydrophobicContact CG-CG 4.46Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.44Å; Q196-L200 PolarHBondContact O-N 2.97Å; Q196-L200 VanDerWaalsContact O-N 3.1Å
197A93.3Very high90.5Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-61.2-41.6176.600000112.7C188 V189 D193 K195 E199 L200 F201 V226C188-A197 HydrophobicContact CB-CB 3.81Å; V189-A197 HydrophobicContact CG2-CB 3.73Å; D193-A197 VanDerWaalsContact O-CB 3.31Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.4Å; D193-A197 VanDerWaalsContact O-N 3.15Å; K195-A197 VanDerWaalsContact C-N 3.32Å; A197-E199 PolarHBondContact O-N 2.91Å; A197-L200 PolarHBondContact O-N 3.08Å; A197-F201 HydrophobicContact CB-CE2 4.32Å; A197-F201 WeakPolarHBondContact O-CB 3.4Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 VanDerWaalsContact O-CG 3.27Å; A197-F201 WeakPolarHBondContact O-CG 3.37Å; A197-F201 PolarHBondContact O-N 3.13Å; A197-V226 HydrophobicContact CB-CG1 3.72Å
198A93.6Very high90.1Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-61.4-43.9178.600000112.3F194 K195 Q196 L202 V226 A230F194-A198 WeakPolarHBondContact O-CB 3.33Å; F194-A198 PolarHBondContact O-N 2.9Å; K195-A198 PolarHBondContact O-N 2.92Å; Q196-A198 PolarHBondContact O-N 2.9Å; A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.36Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3.16Å; A198-V226 HydrophobicContact CB-CG1 3.92Å; A198-A230 HydrophobicContact CB-CB 3.39Å
199E93.7Very high89.6Confident125 Ų12544.1 Ų44.158%0.58422%0.221SC*.Hα-helixtrans-63.8-48.1179.1-173.5173-170.700111.1K195 Q196 A197 F201 L202 D203K195-E199 PolarHBondContact O-N 3.49Å; Q196-E199 PolarHBondContact O-N 3.34Å; A197-E199 PolarHBondContact O-N 2.91Å; E199-F201 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 2.88Å; E199-D203 PolarHBondContact O-N 2.82Å
200L93.5Very high88.9Confident20 Ų2044.2 Ų44.211%0.10522%0.221CC..Hα-helixtrans-63.3-41.4178.7-67.7172.2000112.6K181 Q184 Q196 A197 T204K181-L200 HydrophobicContact CB-CD2 4.17Å; K181-L200 HydrophobicContact CD-CD2 4.35Å; K181-L200 HydrophobicContact CG-CD2 3.93Å; Q184-L200 HydrophobicContact CB-CD1 3.98Å; Q184-L200 HydrophobicContact CG-CD1 3.7Å; Q196-L200 HydrophobicContact CG-CD1 4.02Å; Q196-L200 HydrophobicContact CG-CG 4.46Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.44Å; Q196-L200 PolarHBondContact O-N 2.97Å; Q196-L200 VanDerWaalsContact O-N 3.1Å; A197-L200 PolarHBondContact O-N 3.08Å; L200-T204 WeakPolarHBondContact O-CG2 3.03Å; L200-T204 PolarHBondContact O-OG1 3.1Å
201F92.1Very high88.5Confident1 Ų144.5 Ų44.50%0.00422%0.219CC..Hα-helixtrans-69.2-45.2179-70.2-26.3000112.1L186 V189 A197 E199 D203 T204 V205 F219 T223 V226L186-F201 HydrophobicContact CG-CZ 4.49Å; V189-F201 HydrophobicContact CG2-CE2 3.72Å; V189-F201 HydrophobicContact CG2-CZ 4.1Å; A197-F201 HydrophobicContact CB-CE2 4.32Å; A197-F201 WeakPolarHBondContact O-CB 3.4Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 VanDerWaalsContact O-CG 3.27Å; A197-F201 WeakPolarHBondContact O-CG 3.37Å; A197-F201 PolarHBondContact O-N 3.13Å; E199-F201 PolarHBondContact O-N 3.47Å; F201-D203 VanDerWaalsContact C-N 3.28Å; F201-D203 PolarHBondContact O-N 3.16Å; F201-T204 WeakPolarHBondContact CA-OG1 3.34Å; F201-T204 PolarHBondContact O-N 2.97Å; F201-T204 PolarHBondContact O-OG1 2.87Å; F201-V205 WeakPolarHBondContact O-CG2 3.37Å; F201-V205 PolarHBondContact O-N 3.4Å; F201-V205 VanDerWaalsContact O-N 3.09Å; F201-F219 HydrophobicContact CB-CZ 4.17Å; F201-F219 AromaticContact CD1-CE2 3.5Å; F201-F219 HydrophobicContact CD1-CE2 3.5Å; F201-F219 AromaticContact CD1-CZ 3.82Å; F201-F219 HydrophobicContact CD1-CZ 3.82Å; F201-F219 AromaticContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CG-CE2 4.14Å; F201-F219 HydrophobicContact CG-CZ 4.24Å; F201-T223 HydrophobicContact CB-CG2 3.89Å; F201-V226 HydrophobicContact CD2-CB 4.45Å; F201-V226 HydrophobicContact CD2-CG2 4.41Å; F201-V226 HydrophobicContact CE2-CG2 4.21Å
202L91Very high87.7Confident23 Ų2341 Ų4112%0.1220%0.201CC..Hα-helixtrans-60.6-37.4179.3-74.5170000113.3A198 E199 T204 T223 C227 L231 K239 V240 I246A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.36Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3.16Å; E199-L202 PolarHBondContact O-N 2.88Å; L202-T204 PolarHBondContact O-N 3.11Å; L202-T223 HydrophobicContact CD2-CG2 4.03Å; L202-T223 HydrophobicContact CG-CG2 4.39Å; L202-C227 VanDerWaalsContact CD1-SG 3.53Å; L202-C227 WeakPolarHBondContact CG-SG 3.31Å; L202-L231 HydrophobicContact CD1-CD1 3.58Å; L202-L231 HydrophobicContact CD1-CG 4.47Å; L202-K239 HydrophobicContact CD1-CB 4.26Å; L202-K239 HydrophobicContact CD1-CD 3.96Å; L202-K239 HydrophobicContact CD2-CB 4.46Å; L202-V240 HydrophobicContact CD2-CG2 3.92Å; L202-I246 HydrophobicContact CD2-CD1 4.24Å
203D89.8Confident87.2Confident81 Ų8135.7 Ų35.743%0.43318%0.182SC..Hα-helixtrans-65.1-22.4175.9-80.14.8000113.5K181 E199 F201K181-D203 HydrophobicContact CD-CB 4.3Å; K181-D203 IonicContact NZ-OD2 3.71Å; K181-D203 PolarHBondContact NZ-OD2 3.3Å; E199-D203 PolarHBondContact O-N 2.82Å; F201-D203 VanDerWaalsContact C-N 3.28Å; F201-D203 PolarHBondContact O-N 3.16Å
204T89.8Confident86.7Confident0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-108.2-9.9-171.251.30000113.9N178 K181 V182 L200 F201 L202 S206 T207 F208 F219N178-T204 HydrophobicContact CB-CG2 4.2Å; K181-T204 HydrophobicContact CB-CG2 3.51Å; K181-T204 HydrophobicContact CD-CG2 3.76Å; K181-T204 HydrophobicContact CG-CG2 4.29Å; V182-T204 HydrophobicContact CG2-CG2 4.2Å; L200-T204 WeakPolarHBondContact O-CG2 3.03Å; L200-T204 PolarHBondContact O-OG1 3.1Å; F201-T204 WeakPolarHBondContact CA-OG1 3.34Å; F201-T204 PolarHBondContact O-N 2.97Å; F201-T204 PolarHBondContact O-OG1 2.87Å; L202-T204 PolarHBondContact O-N 3.11Å; T204-S206 VanDerWaalsContact C-N 3.27Å; T204-S206 PolarHBondContact O-N 2.71Å; T204-T207 CarbonylContact O-C 3.6Å; T204-T207 PolarHBondContact O-N 3.42Å; T204-F208 PolarHBondContact O-N 3.5Å; T204-F208 VanDerWaalsContact O-N 3.16Å; T204-F219 WeakPolarHBondContact OG1-CZ 3.41Å
205V88.2Confident86.4Confident4 Ų435.8 Ų35.82%0.02418%0.183CC..G310 helixtrans-53.2-45177.51740000111.6F201 T207 F219 T223 E245 I246F201-V205 WeakPolarHBondContact O-CG2 3.37Å; F201-V205 PolarHBondContact O-N 3.4Å; F201-V205 VanDerWaalsContact O-N 3.09Å; V205-T207 PolarHBondContact O-N 3.25Å; V205-F219 HydrophobicContact CG2-CE1 3.97Å; V205-T223 HydrophobicContact CG2-CG2 3.78Å; V205-E245 HydrophobicContact CG1-CB 4.02Å; V205-I246 HydrophobicContact CG1-CG1 3.9Å
206S83.9Confident86.2Confident72 Ų7230 Ų3050%0.50316%0.157SC..G310 helixtrans-69-20.1-174.1-48.10000115.3T204 E245T204-S206 VanDerWaalsContact C-N 3.27Å; T204-S206 PolarHBondContact O-N 2.71Å; S206-E245 VanDerWaalsContact CA-OE1 3.22Å; S206-E245 WeakPolarHBondContact CA-OE1 3.09Å; S206-E245 WeakPolarHBondContact CA-OE2 3.26Å; S206-E245 VanDerWaalsContact CB-CD 3.47Å; S206-E245 WeakPolarHBondContact CB-OE1 3.49Å; S206-E245 WeakPolarHBondContact CB-OE2 3.49Å; S206-E245 PolarHBondContact N-OE2 3.47Å; S206-E245 PolarHBondContact OG-OE1 2.97Å; S206-E245 PolarHBondContact OG-OE2 3.18Å
207T85.3Confident86Confident44 Ų4431.5 Ų31.527%0.2716%0.162SC..G310 helixtrans-139.140.8-172.149.70000111.2W174 N178 T204 V205 T209W174-T207 HydrophobicContact CH2-CG2 3.34Å; W174-T207 WeakPolarHBondContact CH2-OG1 3.45Å; W174-T207 HydrophobicContact CZ3-CG2 3.63Å; N178-T207 PolarHBondContact ND2-OG1 3.27Å; T204-T207 CarbonylContact O-C 3.6Å; T204-T207 PolarHBondContact O-N 3.42Å; V205-T207 PolarHBondContact O-N 3.25Å; T207-T209 PolarHBondContact O-N 3.32Å
208F82.6Confident85.8Confident10 Ų1034 Ų344%0.04418%0.177CC..  trans-70.8115.2178.1-176.1-93.9000110.9V182 T204 S210 Y211 M214 Y216 F219V182-F208 HydrophobicContact CG1-CE2 4.11Å; V182-F208 HydrophobicContact CG2-CD2 4.19Å; V182-F208 HydrophobicContact CG2-CE2 4.24Å; T204-F208 PolarHBondContact O-N 3.5Å; T204-F208 VanDerWaalsContact O-N 3.16Å; F208-S210 WeakPolarHBondContact CZ-O 3.49Å; F208-Y211 HydrophobicContact CE1-CD1 4.41Å; F208-Y211 HydrophobicContact CE1-CE1 4.35Å; F208-M214 HydrophobicContact CZ-CG 4.08Å; F208-Y216 HydrophobicContact CB-CD2 3.82Å; F208-Y216 HydrophobicContact CB-CE2 3.88Å; F208-Y216 AromaticContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CG 4.38Å; F208-Y216 HydrophobicContact CE1-CD2 4.46Å; F208-Y216 AromaticContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CE2 4.38Å; F208-F219 HydrophobicContact CB-CD1 4.44Å; F208-F219 HydrophobicContact CD2-CB 4.3Å; F208-F219 AromaticContact CD2-CD1 3.49Å; F208-F219 HydrophobicContact CD2-CD1 3.49Å; F208-F219 VanDerWaalsContact CD2-CD1 3.49Å; F208-F219 AromaticContact CD2-CD2 3.91Å; F208-F219 HydrophobicContact CD2-CD2 3.91Å; F208-F219 AromaticContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE2 4.11Å; F208-F219 AromaticContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CZ 4.02Å; F208-F219 HydrophobicContact CE2-CB 3.9Å; F208-F219 AromaticContact CE2-CD1 3.87Å; F208-F219 HydrophobicContact CE2-CD1 3.87Å; F208-F219 AromaticContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CE1 4.31Å; F208-F219 AromaticContact CE2-CE2 3.99Å; F208-F219 HydrophobicContact CE2-CE2 3.99Å; F208-F219 AromaticContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CG 3.45Å; F208-F219 VanDerWaalsContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CZ 4.37Å; F208-F219 HydrophobicContact CG-CD1 4.01Å; F208-F219 HydrophobicContact CG-CE1 4.4Å; F208-F219 HydrophobicContact CG-CG 4.34Å; F208-F219 HydrophobicContact CZ-CB 4.01Å; F208-F219 HydrophobicContact CZ-CD2 4.35Å; F208-F219 HydrophobicContact CZ-CG 4.09Å
209T79.8Confident85.6Confident20 Ų2034 Ų3412%0.12318%0.177CC..  trans-121.47.4176.659.90000112.6D175 R179 T207 Y211D175-T209 WeakPolarHBondContact OD1-CB 3.25Å; D175-T209 WeakPolarHBondContact OD1-CG2 3.34Å; D175-T209 PolarHBondContact OD1-OG1 3.16Å; R179-T209 PolarHBondContact NE-OG1 3.08Å; T207-T209 PolarHBondContact O-N 3.32Å; T209-Y211 PolarHBondContact O-N 3.02Å; T209-Y211 VanDerWaalsContact O-N 3.16Å
210S77.3Confident85.5Confident2 Ų228.1 Ų28.11%0.01415%0.15CC..  trans-91.654.4-170.9-54.40000113.7R179 F208 E212 L213R179-S210 WeakPolarHBondContact CG-OG 3.36Å; F208-S210 WeakPolarHBondContact CZ-O 3.49Å; S210-E212 PolarHBondContact O-N 3.43Å; S210-E212 VanDerWaalsContact O-N 3.15Å; S210-L213 PolarHBondContact O-N 2.98Å
211Y78.6Confident85.4Confident23 Ų2328.2 Ų28.29%0.0915%0.151CC..THydrogen-bonded Turntrans-65.7-12.8177.8-64.1-78.5000114.3L6 E7 F208 T209 L213L6-Y211 HydrophobicContact CB-CE2 3.79Å; L6-Y211 VanDerWaalsContact CB-OH 3.24Å; L6-Y211 WeakPolarHBondContact CB-OH 3.27Å; L6-Y211 WeakPolarHBondContact O-CD2 3.5Å; L6-Y211 WeakPolarHBondContact O-CE2 3.47Å; E7-Y211 HydrophobicContact CG-CD1 4.26Å; E7-Y211 HydrophobicContact CG-CE1 4.46Å; F208-Y211 HydrophobicContact CE1-CD1 4.41Å; F208-Y211 HydrophobicContact CE1-CE1 4.35Å; T209-Y211 PolarHBondContact O-N 3.02Å; T209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-L213 VanDerWaalsContact C-N 3.28Å
212E73.3Confident85.3Confident7 Ų729.1 Ų29.13%0.03316%0.155CC..THydrogen-bonded Turntrans-67-28.4170.959.5177.7174.400113.1L11 R146 Y183 S210L11-E212 HydrophobicContact CB-CB 4.43Å; L11-E212 WeakPolarHBondContact CB-OE2 3.37Å; L11-E212 WeakPolarHBondContact CD1-OE2 3.35Å; R146-E212 IonicContact CZ-OE2 3.76Å; R146-E212 IonicContact NE-OE2 2.7Å; R146-E212 PolarHBondContact NE-OE2 3.17Å; R146-E212 IonicContact NH1-OE2 2.69Å; R146-E212 PolarHBondContact NH1-OE2 2.95Å; R146-E212 IonicContact NH2-OE2 2.72Å; Y183-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y183-E212 PolarHBondContact OH-OE1 3.25Å; Y183-E212 PolarHBondContact OH-OE2 3.03Å; S210-E212 PolarHBondContact O-N 3.43Å; S210-E212 VanDerWaalsContact O-N 3.15Å
213L77.3Confident85.4Confident16 Ų1628 Ų288%0.08415%0.149CC..THydrogen-bonded Turntrans-91.7-52.1-176.5-76.8171.3000111.5L17 L149 V182 Y183 L186 S210 Y211L17-L213 HydrophobicContact CD1-CD2 3.36Å; L149-L213 HydrophobicContact CD1-CD2 4.33Å; V182-L213 HydrophobicContact CB-CD1 4.36Å; V182-L213 HydrophobicContact CG1-CD1 3.63Å; Y183-L213 HydrophobicContact CD1-CD1 3.93Å; Y183-L213 HydrophobicContact CD1-CD2 4.02Å; Y183-L213 HydrophobicContact CD1-CG 4.46Å; Y183-L213 HydrophobicContact CD2-CD1 4.28Å; Y183-L213 HydrophobicContact CE1-CD1 3.73Å; Y183-L213 HydrophobicContact CE1-CD2 3.41Å; Y183-L213 VanDerWaalsContact CE1-CD2 3.41Å; Y183-L213 HydrophobicContact CE1-CG 3.84Å; Y183-L213 HydrophobicContact CE2-CD1 4.05Å; Y183-L213 HydrophobicContact CG-CD1 4.19Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 3.62Å; L186-L213 HydrophobicContact CD1-CD2 3.89Å; L186-L213 HydrophobicContact CD1-CG 4.16Å; S210-L213 PolarHBondContact O-N 2.98Å; Y211-L213 VanDerWaalsContact C-N 3.28Å
214M80.6Confident85.5Confident21 Ų2124.1 Ų24.110%0.10313%0.128CC..  trans-160161.7-177.166.4-172.478.800111L186 F208 T218 F219 Y222L186-M214 HydrophobicContact CD1-CE 3.74Å; L186-M214 HydrophobicContact CD2-CE 3.58Å; L186-M214 HydrophobicContact CG-CE 3.88Å; F208-M214 HydrophobicContact CZ-CG 4.08Å; M214-T218 HydrophobicContact CB-CG2 4.39Å; M214-T218 HydrophobicContact SD-CG2 4.39Å; M214-F219 HydrophobicContact CE-CD2 4.47Å; M214-F219 HydrophobicContact CG-CB 3.92Å; M214-F219 WeakPolarHBondContact SD-CA 3.27Å; M214-F219 HydrophobicContact SD-CB 3.64Å; M214-F219 HydrophobicContact SD-CD2 3.79Å; M214-F219 HydrophobicContact SD-CG 4.24Å; M214-Y222 HydrophobicContact CE-CD2 3.86Å; M214-Y222 HydrophobicContact CE-CE2 3.91Å; M214-Y222 HydrophobicContact SD-CD2 3.57Å; M214-Y222 VanDerWaalsContact SD-CD2 3.57Å; M214-Y222 HydrophobicContact SD-CE2 3.78Å
215D86.4Confident85.7Confident48 Ų4824.8 Ų24.826%0.25713%0.131SC..  trans-68149169.6179.533.4000110.9K217 T218 F219D215-K217 PolarHBondContact O-N 3.23Å; D215-K217 WeakPolarHBondContact OD2-CB 3.29Å; D215-T218 WeakPolarHBondContact O-CA 3.35Å; D215-T218 WeakPolarHBondContact O-CB 3.36Å; D215-T218 PolarHBondContact O-N 2.96Å; D215-F219 PolarHBondContact O-N 3.43Å
216Y87.3Confident85.9Confident37 Ų3724.6 Ų24.615%0.14513%0.13CC..Hα-helixtrans-57.3-37-178.6-178.1-122.4000112.2F208 T218 F219 V220 V249F208-Y216 HydrophobicContact CB-CD2 3.82Å; F208-Y216 HydrophobicContact CB-CE2 3.88Å; F208-Y216 AromaticContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CG 4.38Å; F208-Y216 HydrophobicContact CE1-CD2 4.46Å; F208-Y216 AromaticContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CE2 4.38Å; Y216-T218 VanDerWaalsContact C-N 3.31Å; Y216-T218 PolarHBondContact O-N 3.07Å; Y216-F219 HydrophobicContact CD2-CD1 4.5Å; Y216-F219 WeakPolarHBondContact O-CB 3.48Å; Y216-F219 PolarHBondContact O-N 2.85Å; Y216-V220 HydrophobicContact CD2-CG2 4.33Å; Y216-V220 HydrophobicContact CE1-CG2 4.26Å; Y216-V220 HydrophobicContact CE2-CG2 3.91Å; Y216-V220 WeakPolarHBondContact O-CG2 3.43Å; Y216-V220 PolarHBondContact O-N 3.24Å; Y216-V249 HydrophobicContact CD1-CG2 3.91Å; Y216-V249 HydrophobicContact CE1-CG2 3.34Å
217K89.6Confident86.3Confident108 Ų10821.2 Ų21.247%0.4711%0.106SC..Hα-helixtrans-62.3-39175.3-64.6176.2-176.4167.10112.6D215 T221 V249 L253D215-K217 PolarHBondContact O-N 3.23Å; D215-K217 WeakPolarHBondContact OD2-CB 3.29Å; K217-T221 PolarHBondContact O-N 3.49Å; K217-T221 VanDerWaalsContact O-N 3.11Å; K217-T221 PolarHBondContact O-OG1 2.99Å; K217-V249 HydrophobicContact CG-CG1 4.26Å; K217-L253 HydrophobicContact CB-CD1 4.34Å
218T87.9Confident86.6Confident51 Ų5119.4 Ų19.431%0.31310%0.095SC..Hα-helixtrans-69.5-41.6177.4-53.50000110.1M214 D215 Y216 V220 T221 Y222M214-T218 HydrophobicContact CB-CG2 4.39Å; M214-T218 HydrophobicContact SD-CG2 4.39Å; D215-T218 WeakPolarHBondContact O-CA 3.35Å; D215-T218 WeakPolarHBondContact O-CB 3.36Å; D215-T218 PolarHBondContact O-N 2.96Å; Y216-T218 VanDerWaalsContact C-N 3.31Å; Y216-T218 PolarHBondContact O-N 3.07Å; T218-V220 PolarHBondContact O-N 3.34Å; T218-T221 WeakPolarHBondContact O-CB 3.31Å; T218-T221 PolarHBondContact O-N 3.49Å; T218-T221 VanDerWaalsContact O-N 3.16Å; T218-Y222 HydrophobicContact CG2-CD2 4.34Å; T218-Y222 HydrophobicContact CG2-CE1 4.05Å; T218-Y222 HydrophobicContact CG2-CE2 3.75Å; T218-Y222 PolarHBondContact O-N 2.88Å
219F90.3Very high87Confident0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-59.5-46.5176-177.5-106.2000112.9V182 F201 T204 V205 F208 M214 D215 Y216 T221 Y222 T223V182-F219 HydrophobicContact CG1-CD2 4.36Å; V182-F219 HydrophobicContact CG1-CE2 3.96Å; V182-F219 HydrophobicContact CG2-CE2 4.17Å; V182-F219 HydrophobicContact CG2-CZ 4.29Å; F201-F219 HydrophobicContact CB-CZ 4.17Å; F201-F219 AromaticContact CD1-CE2 3.5Å; F201-F219 HydrophobicContact CD1-CE2 3.5Å; F201-F219 AromaticContact CD1-CZ 3.82Å; F201-F219 HydrophobicContact CD1-CZ 3.82Å; F201-F219 AromaticContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CG-CE2 4.14Å; F201-F219 HydrophobicContact CG-CZ 4.24Å; T204-F219 WeakPolarHBondContact OG1-CZ 3.41Å; V205-F219 HydrophobicContact CG2-CE1 3.97Å; F208-F219 HydrophobicContact CB-CD1 4.44Å; F208-F219 HydrophobicContact CD2-CB 4.3Å; F208-F219 AromaticContact CD2-CD1 3.49Å; F208-F219 HydrophobicContact CD2-CD1 3.49Å; F208-F219 VanDerWaalsContact CD2-CD1 3.49Å; F208-F219 AromaticContact CD2-CD2 3.91Å; F208-F219 HydrophobicContact CD2-CD2 3.91Å; F208-F219 AromaticContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE2 4.11Å; F208-F219 AromaticContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CZ 4.02Å; F208-F219 HydrophobicContact CE2-CB 3.9Å; F208-F219 AromaticContact CE2-CD1 3.87Å; F208-F219 HydrophobicContact CE2-CD1 3.87Å; F208-F219 AromaticContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CE1 4.31Å; F208-F219 AromaticContact CE2-CE2 3.99Å; F208-F219 HydrophobicContact CE2-CE2 3.99Å; F208-F219 AromaticContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CG 3.45Å; F208-F219 VanDerWaalsContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CZ 4.37Å; F208-F219 HydrophobicContact CG-CD1 4.01Å; F208-F219 HydrophobicContact CG-CE1 4.4Å; F208-F219 HydrophobicContact CG-CG 4.34Å; F208-F219 HydrophobicContact CZ-CB 4.01Å; F208-F219 HydrophobicContact CZ-CD2 4.35Å; F208-F219 HydrophobicContact CZ-CG 4.09Å; M214-F219 HydrophobicContact CE-CD2 4.47Å; M214-F219 HydrophobicContact CG-CB 3.92Å; M214-F219 WeakPolarHBondContact SD-CA 3.27Å; M214-F219 HydrophobicContact SD-CB 3.64Å; M214-F219 HydrophobicContact SD-CD2 3.79Å; M214-F219 HydrophobicContact SD-CG 4.24Å; D215-F219 PolarHBondContact O-N 3.43Å; Y216-F219 HydrophobicContact CD2-CD1 4.5Å; Y216-F219 WeakPolarHBondContact O-CB 3.48Å; Y216-F219 PolarHBondContact O-N 2.85Å; F219-T221 VanDerWaalsContact C-N 3.3Å; F219-T221 PolarHBondContact O-N 3.42Å; F219-Y222 PolarHBondContact O-N 3.24Å; F219-T223 WeakPolarHBondContact O-CB 3.42Å; F219-T223 PolarHBondContact O-N 3.36Å; F219-T223 PolarHBondContact O-OG1 2.92Å
220V91Very high87.6Confident2 Ų220 Ų201%0.01210%0.1CC..Hα-helixtrans-62.8-39.5175.9174.20000111Y216 T218 T223 V224 I246 V249Y216-V220 HydrophobicContact CD2-CG2 4.33Å; Y216-V220 HydrophobicContact CE1-CG2 4.26Å; Y216-V220 HydrophobicContact CE2-CG2 3.91Å; Y216-V220 WeakPolarHBondContact O-CG2 3.43Å; Y216-V220 PolarHBondContact O-N 3.24Å; T218-V220 PolarHBondContact O-N 3.34Å; V220-T223 PolarHBondContact O-N 3.33Å; V220-V224 HydrophobicContact CG1-CG2 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 3.02Å; V220-I246 HydrophobicContact CG1-CG2 3.97Å; V220-V249 HydrophobicContact CB-CB 4.37Å; V220-V249 HydrophobicContact CB-CG1 3.94Å; V220-V249 HydrophobicContact CG1-CB 4.11Å; V220-V249 HydrophobicContact CG1-CG1 4.02Å; V220-V249 HydrophobicContact CG2-CB 4.21Å; V220-V249 HydrophobicContact CG2-CG1 4.11Å; V220-V249 HydrophobicContact CG2-CG2 4.13Å
221T90.9Very high88.2Confident22 Ų2221.6 Ų21.614%0.13511%0.109CC..Hα-helixtrans-59.8-48.4176.7-58.70000111.6K217 T218 F219 T223 V224 Y225 L253 V256K217-T221 PolarHBondContact O-N 3.49Å; K217-T221 VanDerWaalsContact O-N 3.11Å; K217-T221 PolarHBondContact O-OG1 2.99Å; T218-T221 WeakPolarHBondContact O-CB 3.31Å; T218-T221 PolarHBondContact O-N 3.49Å; T218-T221 VanDerWaalsContact O-N 3.16Å; F219-T221 VanDerWaalsContact C-N 3.3Å; F219-T221 PolarHBondContact O-N 3.42Å; T221-T223 PolarHBondContact O-N 2.91Å; T221-V224 PolarHBondContact O-N 3.49Å; T221-Y225 HydrophobicContact CG2-CD2 4.19Å; T221-Y225 HydrophobicContact CG2-CE1 4.09Å; T221-Y225 HydrophobicContact CG2-CE2 3.55Å; T221-Y225 VanDerWaalsContact CG2-CZ 3.49Å; T221-Y225 PolarHBondContact O-N 3.35Å; T221-L253 WeakPolarHBondContact OG1-CD1 3.45Å; T221-V256 HydrophobicContact CG2-CG2 3.78Å
222Y91.4Very high88.7Confident20 Ų2028.1 Ų28.18%0.07814%0.138CC..Hα-helixtrans-63.4-41.4176.1-65.7-15.2000112.4M214 T218 F219 V224 Y225 V226 D285 F288M214-Y222 HydrophobicContact CE-CD2 3.86Å; M214-Y222 HydrophobicContact CE-CE2 3.91Å; M214-Y222 HydrophobicContact SD-CD2 3.57Å; M214-Y222 VanDerWaalsContact SD-CD2 3.57Å; M214-Y222 HydrophobicContact SD-CE2 3.78Å; T218-Y222 HydrophobicContact CG2-CD2 4.34Å; T218-Y222 HydrophobicContact CG2-CE1 4.05Å; T218-Y222 HydrophobicContact CG2-CE2 3.75Å; T218-Y222 PolarHBondContact O-N 2.88Å; F219-Y222 PolarHBondContact O-N 3.24Å; Y222-V224 VanDerWaalsContact C-N 3.34Å; Y222-V224 PolarHBondContact O-N 3.14Å; Y222-Y225 PolarHBondContact O-N 3.36Å; Y222-V226 WeakPolarHBondContact O-CB 3.41Å; Y222-V226 VanDerWaalsContact O-CG2 3.25Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.87Å; Y222-D285 WeakPolarHBondContact CE1-OD2 3.15Å; Y222-D285 VanDerWaalsContact OH-CG 3.25Å; Y222-D285 PolarHBondContact OH-OD1 3.18Å; Y222-D285 PolarHBondContact OH-OD2 3.48Å; Y222-F288 HydrophobicContact CD1-CD2 4.28Å; Y222-F288 AromaticContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CE2 3.41Å; Y222-F288 VanDerWaalsContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CZ 4.07Å; Y222-F288 HydrophobicContact CD2-CE2 4.28Å; Y222-F288 AromaticContact CE1-CD2 3.97Å; Y222-F288 HydrophobicContact CE1-CD2 3.97Å; Y222-F288 AromaticContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE2-CE2 4.37Å; Y222-F288 AromaticContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CZ 4.26Å; Y222-F288 AromaticContact CZ-CE2 4Å
223T92.2Very high89.3Confident0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-58.1-48.2176.9-57.50000110.4F201 L202 V205 F219 V220 T221 Y225 V226 C227F201-T223 HydrophobicContact CB-CG2 3.89Å; L202-T223 HydrophobicContact CD2-CG2 4.03Å; L202-T223 HydrophobicContact CG-CG2 4.39Å; V205-T223 HydrophobicContact CG2-CG2 3.78Å; F219-T223 WeakPolarHBondContact O-CB 3.42Å; F219-T223 PolarHBondContact O-N 3.36Å; F219-T223 PolarHBondContact O-OG1 2.92Å; V220-T223 PolarHBondContact O-N 3.33Å; T221-T223 PolarHBondContact O-N 2.91Å; T223-Y225 PolarHBondContact O-N 3.45Å; T223-V226 PolarHBondContact O-N 3.23Å; T223-C227 WeakPolarHBondContact O-CB 3.43Å; T223-C227 PolarHBondContact O-N 3.18Å; T223-C227 PolarHBondContact O-SG 3.06Å
224V92.7Very high89.9Confident0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-60.3-46.6177.3173.60000111.1V220 T221 Y222 V226 C227 M228 V240 I246 V256 L260V220-V224 HydrophobicContact CG1-CG2 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 3.02Å; T221-V224 PolarHBondContact O-N 3.49Å; Y222-V224 VanDerWaalsContact C-N 3.34Å; Y222-V224 PolarHBondContact O-N 3.14Å; V224-V226 PolarHBondContact O-N 2.88Å; V224-C227 PolarHBondContact O-N 3Å; V224-M228 HydrophobicContact CG1-CG 4.39Å; V224-M228 HydrophobicContact CG1-SD 3.92Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.11Å; V224-M228 PolarHBondContact O-N 3.37Å; V224-V240 HydrophobicContact CG2-CG1 4.32Å; V224-I246 HydrophobicContact CG2-CG2 3.84Å; V224-V256 HydrophobicContact CB-CG1 3.96Å; V224-V256 HydrophobicContact CG1-CG1 3.75Å; V224-V256 HydrophobicContact CG2-CG1 4.25Å; V224-L260 HydrophobicContact CG1-CB 4.2Å; V224-L260 HydrophobicContact CG1-CD1 4.27Å; V224-L260 HydrophobicContact CG1-CD2 4.31Å; V224-L260 HydrophobicContact CG1-CG 4.49Å
225Y92.4Very high90.3Very high14 Ų1439.1 Ų39.16%0.05519%0.194CC..Hα-helixtrans-60.5-46.2-179.2-68.1-11.7000112.8T221 Y222 T223 V256 Y259 V278 M282 Y295T221-Y225 HydrophobicContact CG2-CD2 4.19Å; T221-Y225 HydrophobicContact CG2-CE1 4.09Å; T221-Y225 HydrophobicContact CG2-CE2 3.55Å; T221-Y225 VanDerWaalsContact CG2-CZ 3.49Å; T221-Y225 PolarHBondContact O-N 3.35Å; Y222-Y225 PolarHBondContact O-N 3.36Å; T223-Y225 PolarHBondContact O-N 3.45Å; Y225-V256 HydrophobicContact CE1-CG1 4.33Å; Y225-V256 HydrophobicContact CE1-CG2 4.43Å; Y225-Y259 HydrophobicContact CD1-CD1 4.25Å; Y225-Y259 HydrophobicContact CD1-CE1 4.07Å; Y225-Y259 HydrophobicContact CE1-CD1 4.08Å; Y225-Y259 HydrophobicContact CE1-CE1 4.25Å; Y225-V278 HydrophobicContact CD1-CG1 4.45Å; Y225-V278 HydrophobicContact CE1-CG1 3.88Å; Y225-V278 HydrophobicContact CE1-CG2 4.14Å; Y225-V278 HydrophobicContact CE2-CG1 4.03Å; Y225-M282 HydrophobicContact CE2-CG 4.33Å; Y225-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y225-Y295 VanDerWaalsContact O-CE2 3.28Å; Y225-Y295 WeakPolarHBondContact O-CE2 3.33Å; Y225-Y295 PolarHBondContact O-OH 2.97Å
226V92.9Very high90.5Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-69.3-41.5-179.1176.50000110.7V189 F194 A197 A198 F201 Y222 T223 V224 M228 I229 A230 F288V189-V226 HydrophobicContact CG2-CG2 3.8Å; F194-V226 HydrophobicContact CB-CG1 4.14Å; F194-V226 HydrophobicContact CD1-CG1 4.15Å; F194-V226 HydrophobicContact CD1-CG2 4.08Å; F194-V226 WeakPolarHBondContact O-CG1 3.25Å; A197-V226 HydrophobicContact CB-CG1 3.72Å; A198-V226 HydrophobicContact CB-CG1 3.92Å; F201-V226 HydrophobicContact CD2-CB 4.45Å; F201-V226 HydrophobicContact CD2-CG2 4.41Å; F201-V226 HydrophobicContact CE2-CG2 4.21Å; Y222-V226 WeakPolarHBondContact O-CB 3.41Å; Y222-V226 VanDerWaalsContact O-CG2 3.25Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.87Å; T223-V226 PolarHBondContact O-N 3.23Å; V224-V226 PolarHBondContact O-N 2.88Å; V226-M228 VanDerWaalsContact C-N 3.34Å; V226-M228 PolarHBondContact O-N 3.41Å; V226-I229 PolarHBondContact O-N 3.27Å; V226-A230 WeakPolarHBondContact O-CB 3.36Å; V226-A230 PolarHBondContact O-N 2.83Å; V226-F288 HydrophobicContact CG2-CE1 4.42Å; V226-F288 HydrophobicContact CG2-CZ 4.3Å
227C92.4Very high90.6Very high0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-63.3-36.3177.5-72.70000113.2L202 T223 V224 I229 A230 L231 L236 V240L202-C227 VanDerWaalsContact CD1-SG 3.53Å; L202-C227 WeakPolarHBondContact CG-SG 3.31Å; T223-C227 WeakPolarHBondContact O-CB 3.43Å; T223-C227 PolarHBondContact O-N 3.18Å; T223-C227 PolarHBondContact O-SG 3.06Å; V224-C227 PolarHBondContact O-N 3Å; C227-I229 PolarHBondContact O-N 2.96Å; C227-A230 PolarHBondContact O-N 3.2Å; C227-L231 HydrophobicContact CB-CD1 4.29Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 PolarHBondContact O-N 3.26Å; C227-L236 HydrophobicContact CB-CD1 4.24Å; C227-V240 HydrophobicContact CB-CG2 3.94Å
228M91.2Very high90.7Very high6 Ų643.1 Ų43.13%0.0321%0.209CC..Hα-helixtrans-63.9-27.6178.1-76178.371.900113.4V224 V226 L236 Y259 L260 L263 F271 M299V224-M228 HydrophobicContact CG1-CG 4.39Å; V224-M228 HydrophobicContact CG1-SD 3.92Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.11Å; V224-M228 PolarHBondContact O-N 3.37Å; V226-M228 VanDerWaalsContact C-N 3.34Å; V226-M228 PolarHBondContact O-N 3.41Å; M228-L236 HydrophobicContact CG-CD1 4.48Å; M228-Y259 HydrophobicContact CE-CD1 3.7Å; M228-Y259 HydrophobicContact CE-CD2 4.39Å; M228-Y259 HydrophobicContact CE-CE1 3.37Å; M228-Y259 HydrophobicContact CE-CE2 4.1Å; M228-Y259 HydrophobicContact CE-CG 4.2Å; M228-Y259 HydrophobicContact SD-CD1 3.47Å; M228-Y259 WeakPolarHBondContact SD-CD1 3.37Å; M228-Y259 HydrophobicContact SD-CE1 3.26Å; M228-Y259 WeakPolarHBondContact SD-CE1 3.44Å; M228-Y259 HydrophobicContact SD-CG 4.44Å; M228-L260 HydrophobicContact CG-CD1 3.84Å; M228-L260 HydrophobicContact SD-CB 4.32Å; M228-L260 HydrophobicContact SD-CD1 3.89Å; M228-L263 HydrophobicContact CE-CB 4.17Å; M228-L263 HydrophobicContact CE-CD2 3.66Å; M228-F271 HydrophobicContact CE-CE2 4.12Å; M228-M299 HydrophobicContact CB-CE 4.16Å; M228-M299 HydrophobicContact CB-SD 4.16Å; M228-M299 HydrophobicContact CE-CE 3.83Å
229I91.8Very high90.7Very high18 Ų1845.9 Ų45.99%0.09222%0.216CC..Hα-helixtrans-86.3-43.5174.3-70.1-170.9000111.5F194 V226 C227 Y295 E298 M299F194-I229 HydrophobicContact CB-CG2 4.21Å; F194-I229 HydrophobicContact CD2-CG2 4.44Å; F194-I229 HydrophobicContact CG-CG2 4.45Å; V226-I229 PolarHBondContact O-N 3.27Å; C227-I229 PolarHBondContact O-N 2.96Å; I229-Y295 HydrophobicContact CD1-CD2 3.07Å; I229-Y295 HydrophobicContact CD1-CE2 3.22Å; I229-Y295 HydrophobicContact CD1-CG 3.75Å; I229-Y295 HydrophobicContact CG1-CD2 4.08Å; I229-Y295 HydrophobicContact CG1-CE2 3.71Å; I229-E298 HydrophobicContact CD1-CB 4.44Å; I229-M299 HydrophobicContact CD1-CG 4.33Å; I229-M299 HydrophobicContact CD1-SD 4.34Å; I229-M299 HydrophobicContact CG1-CG 4.1Å; I229-M299 HydrophobicContact CG1-SD 3.47Å; I229-M299 WeakPolarHBondContact CG1-SD 3.27Å
230A91.9Very high90.7Very high24 Ų2445.9 Ų45.920%0.19822%0.216CC..Hα-helixtrans-78.8-41-16900000113.7F194 K195 A198 V226 C227F194-A230 WeakPolarHBondContact O-CB 3.27Å; K195-A230 HydrophobicContact CG-CB 4.46Å; A198-A230 HydrophobicContact CB-CB 3.39Å; V226-A230 WeakPolarHBondContact O-CB 3.36Å; V226-A230 PolarHBondContact O-N 2.83Å; C227-A230 PolarHBondContact O-N 3.2Å
231L90.1Very high90.6Very high36 Ų3646.6 Ų46.619%0.18822%0.22CC..SBendtrans-89.7148.6-170.6-65.5-173.3000112.5L202 C227 D235 L236 K239 V240L202-L231 HydrophobicContact CD1-CD1 3.58Å; L202-L231 HydrophobicContact CD1-CG 4.47Å; C227-L231 HydrophobicContact CB-CD1 4.29Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 PolarHBondContact O-N 3.26Å; L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD1-CB 4.36Å; L231-D235 HydrophobicContact CD2-CB 4.32Å; L231-L236 HydrophobicContact CB-CB 4.4Å; L231-K239 HydrophobicContact CD1-CD 4.49Å; L231-V240 HydrophobicContact CD1-CG2 4.48Å
232K88.4Confident90.5Very high161 Ų16152 Ų5270%0.724%0.242SC*.  trans-78.7161.9169.4-64.7-178.7-178.2178.10110.1D235 L236K232-D235 PolarHBondContact O-N 3.45Å; K232-D235 VanDerWaalsContact O-N 3.16Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.1Å
233R86.4Confident90.3Very high115 Ų11552 Ų5243%0.43425%0.247SC..Hα-helixtrans-53.7-42-175.6-165.9176.7-178.2-151.64.1115R237 Y264R233-R237 PolarHBondContact O-N 3.15Å; R233-R237 VanDerWaalsContact O-N 3.13Å; R233-Y264 HydrophobicContact CG-CD2 4.34Å; R233-Y264 HydrophobicContact CG-CE2 4.27Å; R233-Y264 PolarHBondContact NH2-O 3.32Å
234P89.3Confident90Very high93 Ų9355.7 Ų55.760%0.60428%0.278SS*.Hα-helixtrans-64.3-47.3176.9-21.734.8000112.3L236 R237 E238P234-L236 VanDerWaalsContact C-N 3.33Å; P234-L236 PolarHBondContact O-N 3.27Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.37Å; P234-R237 VanDerWaalsContact O-N 3.15Å; P234-E238 PolarHBondContact O-N 3.23Å; P234-E238 VanDerWaalsContact O-N 3.11Å
235D90.3Very high89.6Confident66 Ų6659 Ų5935%0.35329%0.293SS..Hα-helixtrans-65-39.3-179-51.7-31.3000111.1L231 K232 R237 E238 K239L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD1-CB 4.36Å; L231-D235 HydrophobicContact CD2-CB 4.32Å; K232-D235 PolarHBondContact O-N 3.45Å; K232-D235 VanDerWaalsContact O-N 3.16Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.15Å; D235-E238 PolarHBondContact O-N 3.37Å; D235-K239 WeakPolarHBondContact O-CB 3.24Å; D235-K239 PolarHBondContact O-N 3.4Å
236L90.3Very high89.3Confident11 Ų1158.6 Ų58.66%0.05829%0.292CS..Hα-helixtrans-62.2-38.9175.4-171.271.7000111.6C227 M228 L231 K232 P234 V240 I241 L260C227-L236 HydrophobicContact CB-CD1 4.24Å; M228-L236 HydrophobicContact CG-CD1 4.48Å; L231-L236 HydrophobicContact CB-CB 4.4Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.1Å; P234-L236 VanDerWaalsContact C-N 3.33Å; P234-L236 PolarHBondContact O-N 3.27Å; L236-V240 HydrophobicContact CD1-CB 3.96Å; L236-V240 HydrophobicContact CD1-CG1 4.46Å; L236-V240 HydrophobicContact CD1-CG2 3.75Å; L236-V240 WeakPolarHBondContact O-CB 3.34Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.07Å; L236-I241 PolarHBondContact O-N 2.93Å; L236-I241 VanDerWaalsContact O-N 3.08Å; L236-L260 HydrophobicContact CD1-CD1 4.33Å; L236-L260 HydrophobicContact CD2-CD1 4.2Å; L236-L260 HydrophobicContact CG-CD1 4.43Å
237R90.2Very high89.1Confident125 Ų12561 Ų6147%0.47231%0.305SS..Iπ-helixtrans-63.5-47.8176.7-173.4-168.3-174162.5-2.8111.3R233 P234 D235 K242 Y264R233-R237 PolarHBondContact O-N 3.15Å; R233-R237 VanDerWaalsContact O-N 3.13Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.37Å; P234-R237 VanDerWaalsContact O-N 3.15Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.15Å; R237-K242 WeakPolarHBondContact O-CG 3.37Å; R237-K242 PolarHBondContact O-N 3.29Å; R237-Y264 HydrophobicContact CB-CE2 3.82Å; R237-Y264 WeakPolarHBondContact CD-OH 3.36Å; R237-Y264 HydrophobicContact CG-CE2 3.97Å; R237-Y264 WeakPolarHBondContact CG-OH 3.5Å; R237-Y264 PolarHBondContact NE-OH 3.46Å; R237-Y264 VanDerWaalsContact NE-OH 3.1Å; R237-Y264 PolarHBondContact NH1-OH 3.37Å
238E90.9Very high88.9Confident141 Ų14167.6 Ų67.666%0.65934%0.336SS*.Iπ-helixtrans-73.7-48.9-173.9-172171.5-17200111.9P234 D235P234-E238 PolarHBondContact O-N 3.23Å; P234-E238 VanDerWaalsContact O-N 3.11Å; D235-E238 PolarHBondContact O-N 3.37Å
239K88.6Confident88.7Confident109 Ų10968 Ų6847%0.47434%0.338SS..Iπ-helixtrans-82.2-37.9-173.4-61.8-170.6177.4-170.60113.6L202 L231 D235L202-K239 HydrophobicContact CD1-CB 4.26Å; L202-K239 HydrophobicContact CD1-CD 3.96Å; L202-K239 HydrophobicContact CD2-CB 4.46Å; L231-K239 HydrophobicContact CD1-CD 4.49Å; D235-K239 WeakPolarHBondContact O-CB 3.24Å; D235-K239 PolarHBondContact O-N 3.4Å
240V88.8Confident88.5Confident0 Ų067.3 Ų67.30%034%0.335CS..Iπ-helixtrans-102.1-55.9-172.7-175.20000111.8L202 V224 C227 L231 L236 K242 G243 I246 L260L202-V240 HydrophobicContact CD2-CG2 3.92Å; V224-V240 HydrophobicContact CG2-CG1 4.32Å; C227-V240 HydrophobicContact CB-CG2 3.94Å; L231-V240 HydrophobicContact CD1-CG2 4.48Å; L236-V240 HydrophobicContact CD1-CB 3.96Å; L236-V240 HydrophobicContact CD1-CG1 4.46Å; L236-V240 HydrophobicContact CD1-CG2 3.75Å; L236-V240 WeakPolarHBondContact O-CB 3.34Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.07Å; V240-K242 PolarHBondContact O-N 3.39Å; V240-G243 PolarHBondContact O-N 3.25Å; V240-I246 HydrophobicContact CB-CD1 4.42Å; V240-I246 HydrophobicContact CG1-CD1 4.13Å; V240-I246 HydrophobicContact CG1-CG2 4.13Å; V240-I246 HydrophobicContact CG2-CD1 4.47Å; V240-L260 HydrophobicContact CG1-CD1 4.35Å; V240-L260 HydrophobicContact CG1-CD2 3.73Å
241I89.4Confident88.2Confident18 Ų1872.2 Ų72.29%0.09235%0.353CS..Iπ-helixtrans-71.4-34.9-172.1-60.5176.6000112L236 L247 L260 F261 Y264L236-I241 PolarHBondContact O-N 2.93Å; L236-I241 VanDerWaalsContact O-N 3.08Å; I241-L247 WeakPolarHBondContact O-CD1 3.4Å; I241-L247 WeakPolarHBondContact O-CD2 3.36Å; I241-L247 WeakPolarHBondContact O-CG 3.37Å; I241-L260 HydrophobicContact CG1-CD2 4.29Å; I241-L260 HydrophobicContact CG1-CG 4.43Å; I241-F261 HydrophobicContact CG2-CE1 3.77Å; I241-F261 HydrophobicContact CG2-CZ 4.17Å; I241-Y264 HydrophobicContact CD1-CD1 3.72Å; I241-Y264 HydrophobicContact CD1-CD2 3.28Å; I241-Y264 HydrophobicContact CD1-CE1 4.24Å; I241-Y264 HydrophobicContact CD1-CE2 3.86Å; I241-Y264 HydrophobicContact CD1-CG 3.21Å
242K89Confident88.1Confident136 Ų13673.5 Ų73.559%0.59137%0.365SS*.SBendtrans-90.4-6.3175.6-71.6-177.2175.9-174.40113.6R237 V240 A244R237-K242 WeakPolarHBondContact O-CG 3.37Å; R237-K242 PolarHBondContact O-N 3.29Å; V240-K242 PolarHBondContact O-N 3.39Å; K242-A244 PolarHBondContact O-N 3.48Å
243G87.1Confident88.1Confident19 Ų1968 Ų6820%0.19634%0.343CS..  trans-69.1119.6179.300000110.8V240 E245 L247V240-G243 PolarHBondContact O-N 3.25Å; G243-E245 PolarHBondContact O-N 3Å; G243-L247 WeakPolarHBondContact O-CB 3.44Å; G243-L247 VanDerWaalsContact O-CG 3.31Å; G243-L247 WeakPolarHBondContact O-CG 3.48Å; G243-L247 PolarHBondContact O-N 3.3Å; G243-L247 VanDerWaalsContact O-N 3.08Å
244A85.3Confident88.2Confident77 Ų7767 Ų6764%0.63635%0.351SS*.Hα-helixtrans-62.7-42.4-174.900000112.7K242 L247 E248K242-A244 PolarHBondContact O-N 3.48Å; A244-L247 PolarHBondContact O-N 3.14Å; A244-E248 PolarHBondContact O-N 2.89Å
245E85.5Confident88.2Confident69 Ų6964.9 Ų64.932%0.32234%0.342SS..Hα-helixtrans-65.4-42.4-177.3-65.5158.3179.300112.2V205 S206 G243 V249V205-E245 HydrophobicContact CG1-CB 4.02Å; S206-E245 VanDerWaalsContact CA-OE1 3.22Å; S206-E245 WeakPolarHBondContact CA-OE1 3.09Å; S206-E245 WeakPolarHBondContact CA-OE2 3.26Å; S206-E245 VanDerWaalsContact CB-CD 3.47Å; S206-E245 WeakPolarHBondContact CB-OE1 3.49Å; S206-E245 WeakPolarHBondContact CB-OE2 3.49Å; S206-E245 PolarHBondContact N-OE2 3.47Å; S206-E245 PolarHBondContact OG-OE1 2.97Å; S206-E245 PolarHBondContact OG-OE2 3.18Å; G243-E245 PolarHBondContact O-N 3Å; E245-V249 PolarHBondContact O-N 3.43Å
246I86.6Confident88.1Confident6 Ų662.1 Ų62.13%0.03133%0.327CS..Hα-helixtrans-68.3-43.3178.3-55.6176.6000108.9L202 V205 V220 V224 V240 E248 V249 L250L202-I246 HydrophobicContact CD2-CD1 4.24Å; V205-I246 HydrophobicContact CG1-CG1 3.9Å; V220-I246 HydrophobicContact CG1-CG2 3.97Å; V224-I246 HydrophobicContact CG2-CG2 3.84Å; V240-I246 HydrophobicContact CB-CD1 4.42Å; V240-I246 HydrophobicContact CG1-CD1 4.13Å; V240-I246 HydrophobicContact CG1-CG2 4.13Å; V240-I246 HydrophobicContact CG2-CD1 4.47Å; I246-E248 PolarHBondContact O-N 3.4Å; I246-V249 PolarHBondContact O-N 3.33Å; I246-L250 HydrophobicContact CG2-CD1 3.56Å; I246-L250 HydrophobicContact CG2-CG 4.08Å; I246-L250 VanDerWaalsContact O-CB 3.26Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CD1 3.41Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å
247L87.6Confident88.2Confident51 Ų5166.5 Ų66.527%0.26734%0.343SS..Hα-helixtrans-59.4-44.7177.3-76.4175.1000112.5I241 G243 A244 V249 L250 H251 F261I241-L247 WeakPolarHBondContact O-CD1 3.4Å; I241-L247 WeakPolarHBondContact O-CD2 3.36Å; I241-L247 WeakPolarHBondContact O-CG 3.37Å; G243-L247 WeakPolarHBondContact O-CB 3.44Å; G243-L247 VanDerWaalsContact O-CG 3.31Å; G243-L247 WeakPolarHBondContact O-CG 3.48Å; G243-L247 PolarHBondContact O-N 3.3Å; G243-L247 VanDerWaalsContact O-N 3.08Å; A244-L247 PolarHBondContact O-N 3.14Å; L247-V249 PolarHBondContact O-N 3.42Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L247-H251 PolarHBondContact O-CD2 3.43Å; L247-H251 PolarHBondContact O-N 3.3Å; L247-H251 VanDerWaalsContact O-N 3.16Å; L247-F261 HydrophobicContact CD2-CE2 4.31Å; L247-F261 HydrophobicContact CD2-CZ 3.89Å
248E87.8Confident88.4Confident139 Ų13965.3 Ų65.365%0.6534%0.343SS*.Hα-helixtrans-57.2-48.2178.6-174.2175.2-177.900111.4A244 I246 H251A244-E248 PolarHBondContact O-N 2.89Å; I246-E248 PolarHBondContact O-N 3.4Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 2.91Å
249V87.9Confident88.5Confident14 Ų1458.6 Ų58.69%0.08531%0.312CS..Hα-helixtrans-70.3-36.7178.8179.70000111.8Y216 K217 V220 E245 I246 L247 H251 S252 L253Y216-V249 HydrophobicContact CD1-CG2 3.91Å; Y216-V249 HydrophobicContact CE1-CG2 3.34Å; K217-V249 HydrophobicContact CG-CG1 4.26Å; V220-V249 HydrophobicContact CB-CB 4.37Å; V220-V249 HydrophobicContact CB-CG1 3.94Å; V220-V249 HydrophobicContact CG1-CB 4.11Å; V220-V249 HydrophobicContact CG1-CG1 4.02Å; V220-V249 HydrophobicContact CG2-CB 4.21Å; V220-V249 HydrophobicContact CG2-CG1 4.11Å; V220-V249 HydrophobicContact CG2-CG2 4.13Å; E245-V249 PolarHBondContact O-N 3.43Å; I246-V249 PolarHBondContact O-N 3.33Å; L247-V249 PolarHBondContact O-N 3.42Å; V249-H251 PolarHBondContact O-N 2.91Å; V249-S252 PolarHBondContact O-N 3.46Å; V249-S252 PolarHBondContact O-OG 2.95Å; V249-L253 HydrophobicContact CG1-CD1 4.34Å; V249-L253 PolarHBondContact O-N 3.42Å
250L86.8Confident88.6Confident3 Ų353.4 Ų53.42%0.01629%0.289CS..Hα-helixtrans-60.7-23.3176-77.8164.6000113I246 L247 S252 L253 V256 R257 L260I246-L250 HydrophobicContact CG2-CD1 3.56Å; I246-L250 HydrophobicContact CG2-CG 4.08Å; I246-L250 VanDerWaalsContact O-CB 3.26Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CD1 3.41Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.99Å; L250-L253 CarbonylContact O-C 3.58Å; L250-L253 PolarHBondContact O-N 3.43Å; L250-V256 HydrophobicContact CD2-CB 4.02Å; L250-V256 HydrophobicContact CD2-CG1 3.75Å; L250-R257 HydrophobicContact CB-CB 4.31Å; L250-R257 HydrophobicContact CD2-CB 4.09Å; L250-L260 HydrophobicContact CD1-CD2 4.02Å
251H85.9Confident88.8Confident127 Ų12755 Ų5559%0.58830%0.296SS*.Hα-helixtrans-64.6-33.4172.3-79.4-79.6000112.6L247 E248 V249 R257L247-H251 PolarHBondContact O-CD2 3.43Å; L247-H251 PolarHBondContact O-N 3.3Å; L247-H251 VanDerWaalsContact O-N 3.16Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 2.91Å; V249-H251 PolarHBondContact O-N 2.91Å; H251-R257 PolarHBondContact ND1-NH1 3.15Å
252S88.1Confident89Confident63 Ų6354.1 Ų54.144%0.44129%0.292SS..Hα-helixtrans-80.5-1917772.90000113.6V249 L250 P254V249-S252 PolarHBondContact O-N 3.46Å; V249-S252 PolarHBondContact O-OG 2.95Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.99Å; S252-P254 WeakPolarHBondContact O-CD 3.31Å
253L88.7Confident89.1Confident46 Ų4648.2 Ų48.224%0.24127%0.266CS..  trans-118.581.1-175.9-63.5178.1000111.6K217 T221 V249 L250 A255 V256 R257K217-L253 HydrophobicContact CB-CD1 4.34Å; T221-L253 WeakPolarHBondContact OG1-CD1 3.45Å; V249-L253 HydrophobicContact CG1-CD1 4.34Å; V249-L253 PolarHBondContact O-N 3.42Å; L250-L253 CarbonylContact O-C 3.58Å; L250-L253 PolarHBondContact O-N 3.43Å; L253-A255 VanDerWaalsContact C-N 3.29Å; L253-A255 PolarHBondContact O-N 3.32Å; L253-V256 HydrophobicContact CB-CB 4.41Å; L253-V256 HydrophobicContact CB-CG2 4.29Å; L253-V256 PolarHBondContact O-N 3.35Å; L253-R257 PolarHBondContact O-N 3.24Å; L253-R257 VanDerWaalsContact O-N 3.16Å
254P88.1Confident89.3Confident93 Ų9349.5 Ų49.560%0.60427%0.266SS*.Hα-helixtrans-63.1-31.9-174.624.2-33.8000113.4S252 R257 Q258S252-P254 WeakPolarHBondContact O-CD 3.31Å; P254-R257 PolarHBondContact O-N 3.44Å; P254-Q258 VanDerWaalsContact O-CB 3.31Å; P254-Q258 WeakPolarHBondContact O-CB 3.34Å; P254-Q258 PolarHBondContact O-N 3.23Å
255A89.3Confident89.6Confident50 Ų5050.4 Ų50.441%0.41326%0.257SS..Hα-helixtrans-63.8-47.7179.700000112.3L253 Q258 Y259L253-A255 VanDerWaalsContact C-N 3.29Å; L253-A255 PolarHBondContact O-N 3.32Å; A255-Q258 PolarHBondContact O-N 2.82Å; A255-Y259 WeakPolarHBondContact O-CB 3.46Å; A255-Y259 PolarHBondContact O-N 2.88Å
256V89.6Confident89.9Confident7 Ų749.5 Ų49.54%0.04226%0.258CS..Hα-helixtrans-68.2-39.2179-174.50000110.4T221 V224 Y225 L250 L253 Y259 L260T221-V256 HydrophobicContact CG2-CG2 3.78Å; V224-V256 HydrophobicContact CB-CG1 3.96Å; V224-V256 HydrophobicContact CG1-CG1 3.75Å; V224-V256 HydrophobicContact CG2-CG1 4.25Å; Y225-V256 HydrophobicContact CE1-CG1 4.33Å; Y225-V256 HydrophobicContact CE1-CG2 4.43Å; L250-V256 HydrophobicContact CD2-CB 4.02Å; L250-V256 HydrophobicContact CD2-CG1 3.75Å; L253-V256 HydrophobicContact CB-CB 4.41Å; L253-V256 HydrophobicContact CB-CG2 4.29Å; L253-V256 PolarHBondContact O-N 3.35Å; V256-Y259 PolarHBondContact O-N 3.44Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.08Å
257R91.7Very high90.3Very high103 Ų10355.4 Ų55.439%0.38928%0.279SS..Hα-helixtrans-59.9-51.8174.7-174.5179.1174.3-178.5-1.8111.8L250 H251 L253 P254 Y259 L260 F261L250-R257 HydrophobicContact CB-CB 4.31Å; L250-R257 HydrophobicContact CD2-CB 4.09Å; H251-R257 PolarHBondContact ND1-NH1 3.15Å; L253-R257 PolarHBondContact O-N 3.24Å; L253-R257 VanDerWaalsContact O-N 3.16Å; P254-R257 PolarHBondContact O-N 3.44Å; R257-Y259 VanDerWaalsContact C-N 3.27Å; R257-Y259 PolarHBondContact O-N 2.94Å; R257-L260 PolarHBondContact O-N 3.29Å; R257-F261 HydrophobicContact CG-CD2 3.53Å; R257-F261 HydrophobicContact CG-CE2 3.73Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 VanDerWaalsContact O-CD2 3.3Å; R257-F261 WeakPolarHBondContact O-CD2 3.33Å; R257-F261 PolarHBondContact O-N 3.11Å
258Q93.1Very high90.5Very high100 Ų10053.4 Ų53.447%0.46727%0.269SS..Hα-helixtrans-60.3-40.4179.1-173.8171.62.100111.4P254 A255 S262 V270P254-Q258 VanDerWaalsContact O-CB 3.31Å; P254-Q258 WeakPolarHBondContact O-CB 3.34Å; P254-Q258 PolarHBondContact O-N 3.23Å; A255-Q258 PolarHBondContact O-N 2.82Å; Q258-S262 WeakPolarHBondContact O-CB 3.31Å; Q258-S262 PolarHBondContact O-N 2.96Å; Q258-S262 PolarHBondContact O-OG 3.07Å; Q258-V270 HydrophobicContact CG-CG1 3.72Å
259Y93.3Very high90.8Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-62-47.6176.3179.6-120.4000113.1Y225 M228 A255 V256 R257 S262 F271 L275 V278 Y295 M299Y225-Y259 HydrophobicContact CD1-CD1 4.25Å; Y225-Y259 HydrophobicContact CD1-CE1 4.07Å; Y225-Y259 HydrophobicContact CE1-CD1 4.08Å; Y225-Y259 HydrophobicContact CE1-CE1 4.25Å; M228-Y259 HydrophobicContact CE-CD1 3.7Å; M228-Y259 HydrophobicContact CE-CD2 4.39Å; M228-Y259 HydrophobicContact CE-CE1 3.37Å; M228-Y259 HydrophobicContact CE-CE2 4.1Å; M228-Y259 HydrophobicContact CE-CG 4.2Å; M228-Y259 HydrophobicContact SD-CD1 3.47Å; M228-Y259 WeakPolarHBondContact SD-CD1 3.37Å; M228-Y259 HydrophobicContact SD-CE1 3.26Å; M228-Y259 WeakPolarHBondContact SD-CE1 3.44Å; M228-Y259 HydrophobicContact SD-CG 4.44Å; A255-Y259 WeakPolarHBondContact O-CB 3.46Å; A255-Y259 PolarHBondContact O-N 2.88Å; V256-Y259 PolarHBondContact O-N 3.44Å; R257-Y259 VanDerWaalsContact C-N 3.27Å; R257-Y259 PolarHBondContact O-N 2.94Å; Y259-S262 PolarHBondContact O-OG 3.04Å; Y259-F271 AromaticContact CD2-CD2 3.97Å; Y259-F271 HydrophobicContact CD2-CD2 3.97Å; Y259-F271 AromaticContact CD2-CE2 3.82Å; Y259-F271 HydrophobicContact CD2-CE2 3.82Å; Y259-F271 AromaticContact CE2-CD2 3.86Å; Y259-F271 HydrophobicContact CE2-CD2 3.86Å; Y259-F271 AromaticContact CE2-CE2 3.26Å; Y259-F271 HydrophobicContact CE2-CE2 3.26Å; Y259-F271 AromaticContact CE2-CZ 3.96Å; Y259-F271 HydrophobicContact CE2-CZ 3.96Å; Y259-F271 AromaticContact CZ-CE2 3.95Å; Y259-L275 HydrophobicContact CE2-CB 4.12Å; Y259-L275 HydrophobicContact CE2-CD1 3.89Å; Y259-V278 HydrophobicContact CD1-CG2 4.21Å; Y259-V278 HydrophobicContact CD2-CG2 4.33Å; Y259-V278 HydrophobicContact CG-CG2 4.08Å; Y259-Y295 WeakPolarHBondContact OH-CE1 3.26Å; Y259-Y295 PolarHBondContact OH-OH 3.25Å; Y259-M299 WeakPolarHBondContact OH-CE 3.32Å; Y259-M299 WeakPolarHBondContact OH-CG 3.49Å
260L92.2Very high91.1Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-66.9-50.5179.5177.764.8000112.5V224 M228 L236 V240 I241 L250 V256 R257 Y264V224-L260 HydrophobicContact CG1-CB 4.2Å; V224-L260 HydrophobicContact CG1-CD1 4.27Å; V224-L260 HydrophobicContact CG1-CD2 4.31Å; V224-L260 HydrophobicContact CG1-CG 4.49Å; M228-L260 HydrophobicContact CG-CD1 3.84Å; M228-L260 HydrophobicContact SD-CB 4.32Å; M228-L260 HydrophobicContact SD-CD1 3.89Å; L236-L260 HydrophobicContact CD1-CD1 4.33Å; L236-L260 HydrophobicContact CD2-CD1 4.2Å; L236-L260 HydrophobicContact CG-CD1 4.43Å; V240-L260 HydrophobicContact CG1-CD1 4.35Å; V240-L260 HydrophobicContact CG1-CD2 3.73Å; I241-L260 HydrophobicContact CG1-CD2 4.29Å; I241-L260 HydrophobicContact CG1-CG 4.43Å; L250-L260 HydrophobicContact CD1-CD2 4.02Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.08Å; R257-L260 PolarHBondContact O-N 3.29Å; L260-Y264 PolarHBondContact O-N 3.48Å
261F92.2Very high91.5Very high34 Ų3449.8 Ų49.815%0.14926%0.258CS..Hα-helixtrans-70.4-34.3-175.6-80-78.1000112.4I241 L247 R257 L263 Y264 E265I241-F261 HydrophobicContact CG2-CE1 3.77Å; I241-F261 HydrophobicContact CG2-CZ 4.17Å; L247-F261 HydrophobicContact CD2-CE2 4.31Å; L247-F261 HydrophobicContact CD2-CZ 3.89Å; R257-F261 HydrophobicContact CG-CD2 3.53Å; R257-F261 HydrophobicContact CG-CE2 3.73Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 VanDerWaalsContact O-CD2 3.3Å; R257-F261 WeakPolarHBondContact O-CD2 3.33Å; R257-F261 PolarHBondContact O-N 3.11Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.29Å; F261-Y264 PolarHBondContact O-N 3.08Å; F261-E265 VanDerWaalsContact O-CB 3.31Å; F261-E265 WeakPolarHBondContact O-CB 3.44Å; F261-E265 WeakPolarHBondContact O-CG 3.45Å; F261-E265 PolarHBondContact O-N 3.45Å
262S93.3Very high91.9Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-60.8-40.1177.957.40000112.7Q258 Y259 C266 R267 F271Q258-S262 WeakPolarHBondContact O-CB 3.31Å; Q258-S262 PolarHBondContact O-N 2.96Å; Q258-S262 PolarHBondContact O-OG 3.07Å; Y259-S262 PolarHBondContact O-OG 3.04Å; S262-C266 PolarHBondContact O-N 3.45Å; S262-R267 PolarHBondContact O-N 3.29Å; S262-F271 WeakPolarHBondContact OG-CA 3.36Å
263L91.3Very high92.1Very high11 Ų1148.6 Ų48.66%0.05825%0.245CC..Hα-helixtrans-67.2-43.2175.2-175.462.9000111.9M228 F261 C266 F271 M299 A303 Q306M228-L263 HydrophobicContact CE-CB 4.17Å; M228-L263 HydrophobicContact CE-CD2 3.66Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.29Å; L263-C266 PolarHBondContact O-N 2.96Å; L263-F271 HydrophobicContact CB-CD2 3.84Å; L263-F271 HydrophobicContact CB-CE2 3.94Å; L263-F271 HydrophobicContact CD1-CD2 4.32Å; L263-F271 HydrophobicContact CD1-CE1 4.39Å; L263-F271 HydrophobicContact CD1-CE2 4.1Å; L263-F271 HydrophobicContact CD1-CZ 4.16Å; L263-F271 HydrophobicContact CD2-CE2 4.21Å; L263-F271 HydrophobicContact CG-CE2 4.31Å; L263-M299 HydrophobicContact CD2-CE 3.68Å; L263-A303 HydrophobicContact CD1-CB 4.18Å; L263-Q306 PolarHBondContact O-NE2 3.01Å
264Y91.2Very high92.3Very high46 Ų4646.9 Ų46.918%0.1824%0.237CC..Hα-helixtrans-69.7-41.1-176.3-176.9-99.3000113.2R233 R237 I241 L260 F261 C266R233-Y264 HydrophobicContact CG-CD2 4.34Å; R233-Y264 HydrophobicContact CG-CE2 4.27Å; R233-Y264 PolarHBondContact NH2-O 3.32Å; R237-Y264 HydrophobicContact CB-CE2 3.82Å; R237-Y264 WeakPolarHBondContact CD-OH 3.36Å; R237-Y264 HydrophobicContact CG-CE2 3.97Å; R237-Y264 WeakPolarHBondContact CG-OH 3.5Å; R237-Y264 PolarHBondContact NE-OH 3.46Å; R237-Y264 VanDerWaalsContact NE-OH 3.1Å; R237-Y264 PolarHBondContact NH1-OH 3.37Å; I241-Y264 HydrophobicContact CD1-CD1 3.72Å; I241-Y264 HydrophobicContact CD1-CD2 3.28Å; I241-Y264 HydrophobicContact CD1-CE1 4.24Å; I241-Y264 HydrophobicContact CD1-CE2 3.86Å; I241-Y264 HydrophobicContact CD1-CG 3.21Å; L260-Y264 PolarHBondContact O-N 3.48Å; F261-Y264 PolarHBondContact O-N 3.08Å; Y264-C266 PolarHBondContact O-N 2.89Å
265E92.3Very high92.6Very high97 Ų9742.7 Ų42.745%0.45321%0.21SC..THydrogen-bonded Turntrans-80.21.9178.2-65.1173.3-178.400113.4F261 R267F261-E265 VanDerWaalsContact O-CB 3.31Å; F261-E265 WeakPolarHBondContact O-CB 3.44Å; F261-E265 WeakPolarHBondContact O-CG 3.45Å; F261-E265 PolarHBondContact O-N 3.45Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 HydrophobicContact CB-CG 4.43Å; E265-R267 PolarHBondContact O-N 3.43Å; E265-R267 IonicContact OE2-CZ 3.55Å; E265-R267 IonicContact OE2-NE 3.07Å; E265-R267 PolarHBondContact OE2-NE 3.2Å; E265-R267 IonicContact OE2-NH2 3.99Å; E265-R267 PolarHBondContact OE2-NH2 3.48Å
266C91.7Very high92.8Very high50 Ų5042.8 Ų42.834%0.33821%0.21SC..THydrogen-bonded Turntrans61.930.3-178.5-53.30000114.3S262 L263 Y264 Y268 Q306S262-C266 PolarHBondContact O-N 3.45Å; L263-C266 PolarHBondContact O-N 2.96Å; Y264-C266 PolarHBondContact O-N 2.89Å; C266-Y268 HydrophobicContact CB-CE2 3.89Å; C266-Y268 WeakPolarHBondContact O-CD2 3.11Å; C266-Y268 WeakPolarHBondContact O-CE2 3.34Å; C266-Y268 PolarHBondContact O-N 2.86Å; C266-Q306 PolarHBondContact SG-NE2 2.86Å
267R94Very high92.9Very high129 Ų12946 Ų4649%0.48723%0.23SC..  trans-90.976174.3-67.7-169.1-73.5158.5-2.1110.6S262 E265 S269 V270 F271S262-R267 PolarHBondContact O-N 3.29Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 HydrophobicContact CB-CG 4.43Å; E265-R267 PolarHBondContact O-N 3.43Å; E265-R267 IonicContact OE2-CZ 3.55Å; E265-R267 IonicContact OE2-NE 3.07Å; E265-R267 PolarHBondContact OE2-NE 3.2Å; E265-R267 IonicContact OE2-NH2 3.99Å; E265-R267 PolarHBondContact OE2-NH2 3.48Å; R267-S269 PolarHBondContact O-N 2.7Å; R267-V270 PolarHBondContact O-N 3.31Å; R267-F271 PolarHBondContact O-N 3.08Å; R267-F271 VanDerWaalsContact O-N 3.16Å
268Y93.3Very high92.9Very high10 Ų1041.3 Ų41.34%0.03921%0.213CC..Hα-helixtrans-67.9-32.5-167.6-59.8-70.4000115.4C266 V270 F271 F272 A303 L307 A322 F323C266-Y268 HydrophobicContact CB-CE2 3.89Å; C266-Y268 WeakPolarHBondContact O-CD2 3.11Å; C266-Y268 WeakPolarHBondContact O-CE2 3.34Å; C266-Y268 PolarHBondContact O-N 2.86Å; Y268-V270 VanDerWaalsContact C-N 3.34Å; Y268-V270 PolarHBondContact O-N 3.49Å; Y268-F271 WeakPolarHBondContact O-CB 3.12Å; Y268-F271 PolarHBondContact O-N 3.44Å; Y268-F272 PolarHBondContact O-N 3.09Å; Y268-A303 HydrophobicContact CD1-CB 4.32Å; Y268-A303 HydrophobicContact CE1-CB 4.42Å; Y268-L307 HydrophobicContact CE2-CB 4.2Å; Y268-L307 HydrophobicContact CE2-CD1 3.88Å; Y268-L307 HydrophobicContact CE2-CG 4.49Å; Y268-A322 WeakPolarHBondContact CB-O 3.38Å; Y268-F323 HydrophobicContact CD1-CD1 4.47Å; Y268-F323 AromaticContact CD1-CE1 3.66Å; Y268-F323 HydrophobicContact CD1-CE1 3.66Å; Y268-F323 AromaticContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD2-CZ 4.4Å; Y268-F323 HydrophobicContact CE1-CZ 4.29Å; Y268-F323 HydrophobicContact CG-CD1 4.2Å; Y268-F323 AromaticContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE2 4.42Å; Y268-F323 AromaticContact CG-CZ 3.86Å; Y268-F323 HydrophobicContact CG-CZ 3.86Å
269S93.1Very high92.8Very high46 Ų4638.7 Ų38.732%0.32220%0.2SC..Hα-helixtrans-62.8-42.7177.6-17.70000111.6R267 F271 F272 Q273 A322 F323R267-S269 PolarHBondContact O-N 2.7Å; S269-F271 VanDerWaalsContact C-N 3.33Å; S269-F272 PolarHBondContact O-N 3.14Å; S269-Q273 PolarHBondContact O-N 2.66Å; S269-A322 PolarHBondContact N-O 2.88Å; S269-A322 VanDerWaalsContact N-O 3.11Å; S269-A322 PolarHBondContact OG-O 2.95Å; S269-F323 WeakPolarHBondContact CA-O 3.49Å
270V94.9Very high92.6Very high34 Ų3443.4 Ų43.421%0.20622%0.223CC..Hα-helixtrans-68.6-36.2176.4-178.90000111Q258 R267 Y268 F272 Q273 S274Q258-V270 HydrophobicContact CG-CG1 3.72Å; R267-V270 PolarHBondContact O-N 3.31Å; Y268-V270 VanDerWaalsContact C-N 3.34Å; Y268-V270 PolarHBondContact O-N 3.49Å; V270-F272 PolarHBondContact O-N 3.22Å; V270-Q273 PolarHBondContact O-N 3.1Å; V270-S274 WeakPolarHBondContact O-CB 3.44Å; V270-S274 PolarHBondContact O-N 3.35Å; V270-S274 PolarHBondContact O-OG 3.02Å
271F94.9Very high92.4Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-60.7-43.3176.5174.8-106.2000111.7M228 Y259 S262 L263 R267 Y268 S269 S274 L275 M299 A303M228-F271 HydrophobicContact CE-CE2 4.12Å; Y259-F271 AromaticContact CD2-CD2 3.97Å; Y259-F271 HydrophobicContact CD2-CD2 3.97Å; Y259-F271 AromaticContact CD2-CE2 3.82Å; Y259-F271 HydrophobicContact CD2-CE2 3.82Å; Y259-F271 AromaticContact CE2-CD2 3.86Å; Y259-F271 HydrophobicContact CE2-CD2 3.86Å; Y259-F271 AromaticContact CE2-CE2 3.26Å; Y259-F271 HydrophobicContact CE2-CE2 3.26Å; Y259-F271 AromaticContact CE2-CZ 3.96Å; Y259-F271 HydrophobicContact CE2-CZ 3.96Å; Y259-F271 AromaticContact CZ-CE2 3.95Å; S262-F271 WeakPolarHBondContact OG-CA 3.36Å; L263-F271 HydrophobicContact CB-CD2 3.84Å; L263-F271 HydrophobicContact CB-CE2 3.94Å; L263-F271 HydrophobicContact CD1-CD2 4.32Å; L263-F271 HydrophobicContact CD1-CE1 4.39Å; L263-F271 HydrophobicContact CD1-CE2 4.1Å; L263-F271 HydrophobicContact CD1-CZ 4.16Å; L263-F271 HydrophobicContact CD2-CE2 4.21Å; L263-F271 HydrophobicContact CG-CE2 4.31Å; R267-F271 PolarHBondContact O-N 3.08Å; R267-F271 VanDerWaalsContact O-N 3.16Å; Y268-F271 WeakPolarHBondContact O-CB 3.12Å; Y268-F271 PolarHBondContact O-N 3.44Å; S269-F271 VanDerWaalsContact C-N 3.33Å; F271-S274 PolarHBondContact O-N 3.46Å; F271-L275 HydrophobicContact CE1-CD2 4.25Å; F271-L275 HydrophobicContact CZ-CD2 4.45Å; F271-L275 VanDerWaalsContact O-CB 3.24Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 PolarHBondContact O-N 2.82Å; F271-M299 HydrophobicContact CE2-CE 3.95Å; F271-M299 HydrophobicContact CZ-CB 4.29Å; F271-M299 HydrophobicContact CZ-CE 3.65Å; F271-A303 HydrophobicContact CD1-CB 4.06Å; F271-A303 HydrophobicContact CE1-CB 3.66Å
272F93.3Very high92.2Very high31 Ų3145.3 Ų45.314%0.13623%0.234CC..Hα-helixtrans-65.7-40.2178.5-90.432.6000112.8Y268 S269 V270 L275 A276 R300 Y304 F323 V325 F329Y268-F272 PolarHBondContact O-N 3.09Å; S269-F272 PolarHBondContact O-N 3.14Å; V270-F272 PolarHBondContact O-N 3.22Å; F272-L275 PolarHBondContact O-N 3.33Å; F272-A276 PolarHBondContact O-N 3.41Å; F272-A276 VanDerWaalsContact O-N 3.1Å; F272-R300 HydrophobicContact CZ-CG 4.47Å; F272-Y304 HydrophobicContact CZ-CE1 4.19Å; F272-Y304 AromaticContact CZ-CZ 3.91Å; F272-Y304 WeakPolarHBondContact CZ-OH 3.06Å; F272-F323 AromaticContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CE1 4.4Å; F272-F323 AromaticContact CE1-CD1 3.41Å; F272-F323 HydrophobicContact CE1-CD1 3.41Å; F272-F323 VanDerWaalsContact CE1-CD1 3.41Å; F272-F323 AromaticContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE2-CD1 4.08Å; F272-F323 HydrophobicContact CG-CD1 4.47Å; F272-F323 AromaticContact CZ-CD1 3.51Å; F272-F323 HydrophobicContact CZ-CD1 3.51Å; F272-F323 AromaticContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CG 4.38Å; F272-V325 HydrophobicContact CD2-CG1 3.9Å; F272-V325 HydrophobicContact CE2-CG1 4.2Å; F272-F329 HydrophobicContact CE2-CE1 4.27Å
273Q93.1Very high91.9Very high133 Ų13349.7 Ų49.762%0.62125%0.253SS*.Hα-helixtrans-62.6-45.1174.2-67174.83.600111.3S269 V270 A276 T277S269-Q273 PolarHBondContact O-N 2.66Å; V270-Q273 PolarHBondContact O-N 3.1Å; Q273-A276 PolarHBondContact O-N 2.98Å; Q273-T277 PolarHBondContact O-N 2.96Å; Q273-T277 PolarHBondContact O-OG1 3.37Å
274S93.8Very high91.5Very high10 Ų1053.2 Ų53.27%0.0727%0.268CS..Hα-helixtrans-66.5-39.8179.1-53.50000111.6V270 F271 A276 T277 V278V270-S274 WeakPolarHBondContact O-CB 3.44Å; V270-S274 PolarHBondContact O-N 3.35Å; V270-S274 PolarHBondContact O-OG 3.02Å; F271-S274 PolarHBondContact O-N 3.46Å; S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.23Å; S274-T277 PolarHBondContact O-N 2.9Å; S274-V278 WeakPolarHBondContact O-CG2 3.45Å; S274-V278 PolarHBondContact O-N 3.48Å
275L93.8Very high91.1Very high6 Ų651.7 Ų51.73%0.03126%0.263CS..Hα-helixtrans-61.6-36.9177-178.663.1000111.7Y259 F271 F272 V278 E279 V296 M299 R300Y259-L275 HydrophobicContact CE2-CB 4.12Å; Y259-L275 HydrophobicContact CE2-CD1 3.89Å; F271-L275 HydrophobicContact CE1-CD2 4.25Å; F271-L275 HydrophobicContact CZ-CD2 4.45Å; F271-L275 VanDerWaalsContact O-CB 3.24Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 PolarHBondContact O-N 2.82Å; F272-L275 PolarHBondContact O-N 3.33Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-E279 WeakPolarHBondContact O-CB 3.23Å; L275-E279 PolarHBondContact O-N 3.18Å; L275-V296 HydrophobicContact CD1-CG2 4.43Å; L275-V296 HydrophobicContact CD2-CG1 4.25Å; L275-M299 HydrophobicContact CD1-CB 4.17Å; L275-M299 HydrophobicContact CD2-CB 4.48Å; L275-R300 HydrophobicContact CD2-CG 4.11Å
276A92.1Very high90.6Very high51 Ų5149.8 Ų49.842%0.42125%0.252SS..Hα-helixtrans-65.2-41175.900000112F272 Q273 S274 E279 Q280F272-A276 PolarHBondContact O-N 3.41Å; F272-A276 VanDerWaalsContact O-N 3.1Å; Q273-A276 PolarHBondContact O-N 2.98Å; S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.23Å; A276-E279 PolarHBondContact O-N 3.42Å; A276-Q280 WeakPolarHBondContact O-CG 3.23Å; A276-Q280 PolarHBondContact O-N 3.46Å
277T91.8Very high90.1Very high76 Ų7647.9 Ų47.947%0.46624%0.238SC..Hα-helixtrans-63.6-48.9174.2-53.40000111Q273 S274 E279 Q280 D281Q273-T277 PolarHBondContact O-N 2.96Å; Q273-T277 PolarHBondContact O-OG1 3.37Å; S274-T277 PolarHBondContact O-N 2.9Å; T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.1Å; T277-Q280 PolarHBondContact O-N 2.93Å; T277-Q280 VanDerWaalsContact O-N 3.08Å; T277-D281 PolarHBondContact O-N 2.99Å; T277-D281 VanDerWaalsContact O-N 3.08Å
278V91.7Very high89.7Confident3 Ų341.8 Ų41.82%0.01822%0.215CC..Hα-helixtrans-60-38.6177.61730000111.3Y225 Y259 S274 L275 Q280 D281 M282Y225-V278 HydrophobicContact CD1-CG1 4.45Å; Y225-V278 HydrophobicContact CE1-CG1 3.88Å; Y225-V278 HydrophobicContact CE1-CG2 4.14Å; Y225-V278 HydrophobicContact CE2-CG1 4.03Å; Y259-V278 HydrophobicContact CD1-CG2 4.21Å; Y259-V278 HydrophobicContact CD2-CG2 4.33Å; Y259-V278 HydrophobicContact CG-CG2 4.08Å; S274-V278 WeakPolarHBondContact O-CG2 3.45Å; S274-V278 PolarHBondContact O-N 3.48Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.11Å; V278-D281 PolarHBondContact O-N 3.27Å; V278-M282 HydrophobicContact CG1-CG 4.01Å; V278-M282 HydrophobicContact CG1-SD 3.85Å; V278-M282 WeakPolarHBondContact O-CB 3.49Å; V278-M282 VanDerWaalsContact O-CG 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.08Å
279E91.8Very high89.3Confident45 Ų4542 Ų4221%0.2122%0.219CC..Hα-helixtrans-59.3-41.9175.3179.5175.7-175.700112.1L275 A276 T277 K283 Y292 V296L275-E279 WeakPolarHBondContact O-CB 3.23Å; L275-E279 PolarHBondContact O-N 3.18Å; A276-E279 PolarHBondContact O-N 3.42Å; T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.1Å; E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; E279-Y292 HydrophobicContact CG-CD2 4.02Å; E279-V296 HydrophobicContact CB-CG2 3.84Å; E279-V296 HydrophobicContact CG-CG2 3.76Å
280Q90.1Very high89Confident100 Ų10043.5 Ų43.547%0.46723%0.228SC..Hα-helixtrans-67.1-39.5177-63.7-54.2-41.400111.9A276 T277 V278 K283 K284A276-Q280 WeakPolarHBondContact O-CG 3.23Å; A276-Q280 PolarHBondContact O-N 3.46Å; T277-Q280 PolarHBondContact O-N 2.93Å; T277-Q280 VanDerWaalsContact O-N 3.08Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.11Å; Q280-K283 PolarHBondContact O-N 3.08Å; Q280-K284 WeakPolarHBondContact O-CG 3.2Å; Q280-K284 PolarHBondContact O-N 2.98Å
281D87.4Confident88.7Confident71 Ų7142.9 Ų42.938%0.3822%0.223SC..Hα-helixtrans-68.6-44.6178.7-65.5-23.9000111.1T277 V278 K283 K284 D285T277-D281 PolarHBondContact O-N 2.99Å; T277-D281 VanDerWaalsContact O-N 3.08Å; V278-D281 PolarHBondContact O-N 3.27Å; D281-K283 PolarHBondContact O-N 3.31Å; D281-K284 WeakPolarHBondContact O-CB 3.25Å; D281-K284 PolarHBondContact O-N 3.05Å; D281-K284 VanDerWaalsContact O-N 3.1Å; D281-D285 PolarHBondContact O-N 3.44Å
282M87.6Confident88.5Confident3 Ų344.7 Ų44.72%0.01523%0.23CC..Hα-helixtrans-62.9-30.2174.6-71-175.678.800112.9Y225 V278 K284 D285 F288 A289 Y295Y225-M282 HydrophobicContact CE2-CG 4.33Å; V278-M282 HydrophobicContact CG1-CG 4.01Å; V278-M282 HydrophobicContact CG1-SD 3.85Å; V278-M282 WeakPolarHBondContact O-CB 3.49Å; V278-M282 VanDerWaalsContact O-CG 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.08Å; M282-K284 VanDerWaalsContact C-N 3.31Å; M282-D285 PolarHBondContact O-N 3.41Å; M282-F288 HydrophobicContact CB-CB 4.18Å; M282-F288 HydrophobicContact CE-CB 3.68Å; M282-F288 HydrophobicContact CE-CD1 3.28Å; M282-F288 HydrophobicContact CE-CE1 4.04Å; M282-F288 HydrophobicContact CE-CG 3.66Å; M282-F288 HydrophobicContact CG-CB 4.44Å; M282-A289 PolarHBondContact O-N 2.98Å; M282-Y295 HydrophobicContact CE-CD1 3.93Å; M282-Y295 HydrophobicContact CE-CD2 3.64Å; M282-Y295 HydrophobicContact CE-CE1 4.49Å; M282-Y295 HydrophobicContact CE-CE2 4.26Å; M282-Y295 HydrophobicContact CE-CG 3.5Å; M282-Y295 HydrophobicContact SD-CD1 3.44Å; M282-Y295 WeakPolarHBondContact SD-CD1 3.1Å; M282-Y295 HydrophobicContact SD-CD2 4.19Å; M282-Y295 HydrophobicContact SD-CE1 3.79Å; M282-Y295 HydrophobicContact SD-CG 3.71Å
283K86.7Confident88.4Confident92 Ų9252 Ų5240%0.426%0.256SS..Hα-helixtrans-69-32.1176.2-172.8179.4177.1-169.40111.8M28 E279 Q280 D281 D285 A289M28-K283 WeakPolarHBondContact CE-O 3.18Å; E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; Q280-K283 PolarHBondContact O-N 3.08Å; D281-K283 PolarHBondContact O-N 3.31Å; K283-D285 VanDerWaalsContact C-N 3.32Å; K283-A289 WeakPolarHBondContact O-CB 3.13Å
284K82.7Confident88.4Confident85 Ų8548.8 Ų48.837%0.3724%0.239SC..Hα-helixtrans-75.5-23.7176.6-68.8170.7-174.61700112.4L25 Q280 D281 M282L25-K284 HydrophobicContact CD2-CB 3.94Å; L25-K284 HydrophobicContact CD2-CG 4.47Å; L25-K284 WeakPolarHBondContact CD2-O 3.2Å; Q280-K284 WeakPolarHBondContact O-CG 3.2Å; Q280-K284 PolarHBondContact O-N 2.98Å; D281-K284 WeakPolarHBondContact O-CB 3.25Å; D281-K284 PolarHBondContact O-N 3.05Å; D281-K284 VanDerWaalsContact O-N 3.1Å; M282-K284 VanDerWaalsContact C-N 3.31Å
285D84.1Confident88.4Confident14 Ų1448.3 Ų48.38%0.07524%0.236CC..SBendtrans-83.8129.6-175.2-165.4-6.8000112.8Y222 D281 M282 K283 L287 F288 A289Y222-D285 WeakPolarHBondContact CE1-OD2 3.15Å; Y222-D285 VanDerWaalsContact OH-CG 3.25Å; Y222-D285 PolarHBondContact OH-OD1 3.18Å; Y222-D285 PolarHBondContact OH-OD2 3.48Å; D281-D285 PolarHBondContact O-N 3.44Å; M282-D285 PolarHBondContact O-N 3.41Å; K283-D285 VanDerWaalsContact C-N 3.32Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.26Å; D285-F288 HydrophobicContact CB-CB 4.49Å; D285-F288 PolarHBondContact O-N 2.56Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.5Å; D285-A289 WeakPolarHBondContact O-CB 3.49Å; D285-A289 PolarHBondContact O-N 3.36Å
286W80.1Confident88.4Confident56 Ų5648.3 Ų48.321%0.21224%0.236CC..THydrogen-bonded Turntrans-60-31.8-174.271.2-18.2000115.5L17 A20 Q21 F24 P290L17-W286 HydrophobicContact CB-CH2 3.53Å; L17-W286 HydrophobicContact CB-CZ2 3.9Å; L17-W286 HydrophobicContact CD1-CZ2 4.43Å; L17-W286 HydrophobicContact CD2-CH2 3.8Å; L17-W286 HydrophobicContact CD2-CZ2 4.37Å; L17-W286 HydrophobicContact CG-CH2 4.12Å; L17-W286 HydrophobicContact CG-CZ2 4.46Å; L17-W286 WeakPolarHBondContact O-CH2 3.17Å; L17-W286 WeakPolarHBondContact O-CZ3 3.37Å; A20-W286 HydrophobicContact CB-CE3 3.88Å; A20-W286 HydrophobicContact CB-CH2 4.36Å; A20-W286 HydrophobicContact CB-CZ3 3.3Å; Q21-W286 HydrophobicContact CB-CD2 4.19Å; Q21-W286 HydrophobicContact CB-CE3 4.08Å; Q21-W286 HydrophobicContact CB-CZ3 4.42Å; F24-W286 HydrophobicContact CB-CB 3.75Å; F24-W286 HydrophobicContact CD1-CB 3.61Å; F24-W286 HydrophobicContact CD2-CB 4.35Å; F24-W286 VanDerWaalsContact CE1-CA 3.43Å; F24-W286 HydrophobicContact CE1-CB 4.27Å; F24-W286 HydrophobicContact CG-CB 3.63Å; W286-P290 WeakPolarHBondContact O-CD 3.46Å
287L82.1Confident88.4Confident10 Ų1050.7 Ų50.75%0.05223%0.234CC..THydrogen-bonded Turntrans-87.4-38.1-170.8-175.468.9000109.5M152 L186 V189 A190 D285M152-L287 HydrophobicContact CE-CD1 4.4Å; L186-L287 HydrophobicContact CD2-CD2 3.57Å; V189-L287 HydrophobicContact CB-CD2 4.19Å; V189-L287 HydrophobicContact CG1-CD2 3.79Å; V189-L287 HydrophobicContact CG1-CG 3.97Å; A190-L287 HydrophobicContact CB-CD1 3.79Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.26Å
288F84.6Confident88.5Confident1 Ų147.3 Ų47.30%0.00421%0.213CC..THydrogen-bonded Turntrans-93.1-21.7-176.9-72.4-78.4000113.4V189 F194 Y222 V226 M282 D285 H291 Y292V189-F288 HydrophobicContact CG1-CD1 4.04Å; V189-F288 HydrophobicContact CG1-CE1 3.43Å; V189-F288 VanDerWaalsContact CG1-CE1 3.43Å; V189-F288 HydrophobicContact CG1-CE2 4.2Å; V189-F288 HydrophobicContact CG1-CZ 3.53Å; F194-F288 HydrophobicContact CE1-CE1 4.21Å; Y222-F288 HydrophobicContact CD1-CD2 4.28Å; Y222-F288 AromaticContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CE2 3.41Å; Y222-F288 VanDerWaalsContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CZ 4.07Å; Y222-F288 HydrophobicContact CD2-CE2 4.28Å; Y222-F288 AromaticContact CE1-CD2 3.97Å; Y222-F288 HydrophobicContact CE1-CD2 3.97Å; Y222-F288 AromaticContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE2-CE2 4.37Å; Y222-F288 AromaticContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CZ 4.26Å; Y222-F288 AromaticContact CZ-CE2 4Å; V226-F288 HydrophobicContact CG2-CE1 4.42Å; V226-F288 HydrophobicContact CG2-CZ 4.3Å; M282-F288 HydrophobicContact CB-CB 4.18Å; M282-F288 HydrophobicContact CE-CB 3.68Å; M282-F288 HydrophobicContact CE-CD1 3.28Å; M282-F288 HydrophobicContact CE-CE1 4.04Å; M282-F288 HydrophobicContact CE-CG 3.66Å; M282-F288 HydrophobicContact CG-CB 4.44Å; D285-F288 HydrophobicContact CB-CB 4.49Å; D285-F288 PolarHBondContact O-N 2.56Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.5Å; F288-H291 CarbonylContact O-C 3.49Å; F288-H291 WeakPolarHBondContact O-CA 3.14Å; F288-H291 PolarHBondContact O-N 2.81Å; F288-Y292 PolarHBondContact O-N 3.3Å
289A85.3Confident88.5Confident15 Ų1547.2 Ų47.212%0.12421%0.212CC..THydrogen-bonded Turntrans-61.9-27.3-177.500000115.9F24 M282 K283 D285 H291 Y292F24-A289 HydrophobicContact CE1-CB 3.4Å; F24-A289 HydrophobicContact CZ-CB 3.27Å; M282-A289 PolarHBondContact O-N 2.98Å; K283-A289 WeakPolarHBondContact O-CB 3.13Å; D285-A289 WeakPolarHBondContact O-CB 3.49Å; D285-A289 PolarHBondContact O-N 3.36Å; A289-H291 PolarHBondContact O-N 3.46Å; A289-Y292 WeakPolarHBondContact O-CD1 3.5Å
290P87.4Confident88.6Confident78 Ų7848 Ų4851%0.50621%0.214SC..THydrogen-bonded Turntrans-71.6-14.3169.3-22.936000113.2W286W286-P290 WeakPolarHBondContact O-CD 3.46Å
291H88.9Confident88.7Confident21 Ų2143.8 Ų43.810%0.09719%0.194CC..THydrogen-bonded Turntrans-126.9-3.2-165.2-56.6-19.4000114.2A190 R192 F288 A289 R293 Y294 Y295A190-H291 PolarHBondContact O-NE2 2.86Å; R192-H291 HydrophobicContact CG-CB 4.47Å; R192-H291 PolarHBondContact NE-CE1 3.47Å; R192-H291 PolarHBondContact NE-ND1 3.45Å; R192-H291 PolarHBondContact NH2-ND1 3.24Å; F288-H291 CarbonylContact O-C 3.49Å; F288-H291 WeakPolarHBondContact O-CA 3.14Å; F288-H291 PolarHBondContact O-N 2.81Å; A289-H291 PolarHBondContact O-N 3.46Å; H291-R293 VanDerWaalsContact C-N 3.29Å; H291-R293 PolarHBondContact O-N 2.99Å; H291-Y294 WeakPolarHBondContact O-CA 3.48Å; H291-Y294 WeakPolarHBondContact O-CB 3.5Å; H291-Y294 PolarHBondContact O-N 3.05Å; H291-Y295 PolarHBondContact O-N 3.2Å
292Y90.4Very high88.9Confident38 Ų3843.9 Ų43.915%0.14919%0.192CC..Hα-helixtrans-53-41.8-177.477.5-78.3000113.3E279 F288 A289 Y294 Y295 V296E279-Y292 HydrophobicContact CG-CD2 4.02Å; F288-Y292 PolarHBondContact O-N 3.3Å; A289-Y292 WeakPolarHBondContact O-CD1 3.5Å; Y292-Y294 VanDerWaalsContact C-N 3.28Å; Y292-Y294 PolarHBondContact O-N 3.05Å; Y292-Y295 WeakPolarHBondContact O-CB 3.4Å; Y292-Y295 PolarHBondContact O-N 3.48Å; Y292-Y295 VanDerWaalsContact O-N 3.17Å; Y292-V296 WeakPolarHBondContact O-CG2 3.01Å; Y292-V296 PolarHBondContact O-N 2.72Å
293R91.4Very high89.1Confident183 Ų18343.7 Ų43.769%0.69119%0.191SC*.Hα-helixtrans-61.9-36.8177.6-64.4-173.7178.6177.9-4.1112.7H291 R297H291-R293 VanDerWaalsContact C-N 3.29Å; H291-R293 PolarHBondContact O-N 2.99Å; R293-R297 VanDerWaalsContact O-CB 3.25Å; R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 3.43Å
294Y92.5Very high89.4Confident66 Ų6639.3 Ų39.326%0.25917%0.172SC..Hα-helixtrans-67.3-48175.8173.2-89.7000109.7F194 H291 Y292 V296 R297 E298F194-Y294 HydrophobicContact CD2-CD1 4.45Å; F194-Y294 AromaticContact CD2-CE1 3.81Å; F194-Y294 HydrophobicContact CD2-CE1 3.81Å; F194-Y294 AromaticContact CE2-CD1 3.66Å; F194-Y294 HydrophobicContact CE2-CD1 3.66Å; F194-Y294 AromaticContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CE2-CE1 3.46Å; F194-Y294 VanDerWaalsContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CZ-CD1 4.47Å; H291-Y294 WeakPolarHBondContact O-CA 3.48Å; H291-Y294 WeakPolarHBondContact O-CB 3.5Å; H291-Y294 PolarHBondContact O-N 3.05Å; Y292-Y294 VanDerWaalsContact C-N 3.28Å; Y292-Y294 PolarHBondContact O-N 3.05Å; Y294-V296 PolarHBondContact O-N 3.47Å; Y294-R297 PolarHBondContact O-N 3.31Å; Y294-E298 HydrophobicContact CD1-CG 4.17Å; Y294-E298 HydrophobicContact CD2-CG 4.28Å; Y294-E298 HydrophobicContact CE1-CG 3.69Å; Y294-E298 HydrophobicContact CE2-CG 3.83Å; Y294-E298 HydrophobicContact CG-CG 4.44Å; Y294-E298 WeakPolarHBondContact O-CG 3.39Å; Y294-E298 PolarHBondContact O-N 2.98Å
295Y93.3Very high89.8Confident1 Ų137.6 Ų37.60%0.00417%0.171CC..Hα-helixtrans-54.6-54.8179-173.3-85.7000112Y225 I229 Y259 M282 H291 Y292 R297 E298 M299Y225-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y225-Y295 VanDerWaalsContact O-CE2 3.28Å; Y225-Y295 WeakPolarHBondContact O-CE2 3.33Å; Y225-Y295 PolarHBondContact O-OH 2.97Å; I229-Y295 HydrophobicContact CD1-CD2 3.07Å; I229-Y295 HydrophobicContact CD1-CE2 3.22Å; I229-Y295 HydrophobicContact CD1-CG 3.75Å; I229-Y295 HydrophobicContact CG1-CD2 4.08Å; I229-Y295 HydrophobicContact CG1-CE2 3.71Å; Y259-Y295 WeakPolarHBondContact OH-CE1 3.26Å; Y259-Y295 PolarHBondContact OH-OH 3.25Å; M282-Y295 HydrophobicContact CE-CD1 3.93Å; M282-Y295 HydrophobicContact CE-CD2 3.64Å; M282-Y295 HydrophobicContact CE-CE1 4.49Å; M282-Y295 HydrophobicContact CE-CE2 4.26Å; M282-Y295 HydrophobicContact CE-CG 3.5Å; M282-Y295 HydrophobicContact SD-CD1 3.44Å; M282-Y295 WeakPolarHBondContact SD-CD1 3.1Å; M282-Y295 HydrophobicContact SD-CD2 4.19Å; M282-Y295 HydrophobicContact SD-CE1 3.79Å; M282-Y295 HydrophobicContact SD-CG 3.71Å; H291-Y295 PolarHBondContact O-N 3.2Å; Y292-Y295 WeakPolarHBondContact O-CB 3.4Å; Y292-Y295 PolarHBondContact O-N 3.48Å; Y292-Y295 VanDerWaalsContact O-N 3.17Å; Y295-R297 VanDerWaalsContact C-N 3.31Å; Y295-R297 PolarHBondContact O-N 3.06Å; Y295-E298 PolarHBondContact O-N 3.29Å; Y295-M299 HydrophobicContact CD1-CG 3.98Å; Y295-M299 HydrophobicContact CE1-CG 3.58Å; Y295-M299 WeakPolarHBondContact O-CG 3.43Å; Y295-M299 PolarHBondContact O-N 3.3Å
296V93.9Very high90.1Very high6 Ų638.5 Ų38.54%0.03618%0.175CC..Hα-helixtrans-59.6-42.7-179.3174.10000111.3L275 E279 Y292 Y294 M299 R300L275-V296 HydrophobicContact CD1-CG2 4.43Å; L275-V296 HydrophobicContact CD2-CG1 4.25Å; E279-V296 HydrophobicContact CB-CG2 3.84Å; E279-V296 HydrophobicContact CG-CG2 3.76Å; Y292-V296 WeakPolarHBondContact O-CG2 3.01Å; Y292-V296 PolarHBondContact O-N 2.72Å; Y294-V296 PolarHBondContact O-N 3.47Å; V296-M299 PolarHBondContact O-N 3.15Å; V296-R300 WeakPolarHBondContact O-CG 3.44Å; V296-R300 PolarHBondContact O-N 2.8Å
297R93.1Very high90.6Very high100 Ų10036.2 Ų36.238%0.37717%0.166SC..Hα-helixtrans-62.8-46.8179-172.1-170.769.1-166.70.8112.1R293 Y294 Y295 R300 I301 F337R293-R297 VanDerWaalsContact O-CB 3.25Å; R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 3.43Å; Y294-R297 PolarHBondContact O-N 3.31Å; Y295-R297 VanDerWaalsContact C-N 3.31Å; Y295-R297 PolarHBondContact O-N 3.06Å; R297-R300 PolarHBondContact O-N 2.97Å; R297-I301 HydrophobicContact CG-CD1 4.36Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.92Å; R297-F337 HydrophobicContact CG-CE1 3.61Å; R297-F337 HydrophobicContact CG-CZ 4.04Å
298E92.7Very high91Very high6 Ų636.2 Ų36.23%0.02817%0.166CC..Hα-helixtrans-65.8-40.4178.8-64.5-51.4135.900111.3I229 Y294 Y295 R300 I301 H302 R342I229-E298 HydrophobicContact CD1-CB 4.44Å; Y294-E298 HydrophobicContact CD1-CG 4.17Å; Y294-E298 HydrophobicContact CD2-CG 4.28Å; Y294-E298 HydrophobicContact CE1-CG 3.69Å; Y294-E298 HydrophobicContact CE2-CG 3.83Å; Y294-E298 HydrophobicContact CG-CG 4.44Å; Y294-E298 WeakPolarHBondContact O-CG 3.39Å; Y294-E298 PolarHBondContact O-N 2.98Å; Y295-E298 PolarHBondContact O-N 3.29Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.27Å; E298-I301 WeakPolarHBondContact O-CB 3.35Å; E298-I301 PolarHBondContact O-N 3.16Å; E298-I301 VanDerWaalsContact O-N 3.17Å; E298-H302 PolarHBondContact O-CD2 3.09Å; E298-H302 PolarHBondContact O-N 3.35Å; E298-R342 IonicContact OE1-NH2 3.7Å; E298-R342 IonicContact OE2-CZ 2.63Å; E298-R342 IonicContact OE2-NE 2.72Å; E298-R342 IonicContact OE2-NH2 2.82Å; E298-R342 PolarHBondContact OE2-NH2 2.98Å
299M93.4Very high91.1Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-62.3-38176.8-72.5-54.8-49.400113.1M228 I229 Y259 L263 F271 L275 Y295 V296 H302 A303M228-M299 HydrophobicContact CB-CE 4.16Å; M228-M299 HydrophobicContact CB-SD 4.16Å; M228-M299 HydrophobicContact CE-CE 3.83Å; I229-M299 HydrophobicContact CD1-CG 4.33Å; I229-M299 HydrophobicContact CD1-SD 4.34Å; I229-M299 HydrophobicContact CG1-CG 4.1Å; I229-M299 HydrophobicContact CG1-SD 3.47Å; I229-M299 WeakPolarHBondContact CG1-SD 3.27Å; Y259-M299 WeakPolarHBondContact OH-CE 3.32Å; Y259-M299 WeakPolarHBondContact OH-CG 3.49Å; L263-M299 HydrophobicContact CD2-CE 3.68Å; F271-M299 HydrophobicContact CE2-CE 3.95Å; F271-M299 HydrophobicContact CZ-CB 4.29Å; F271-M299 HydrophobicContact CZ-CE 3.65Å; L275-M299 HydrophobicContact CD1-CB 4.17Å; L275-M299 HydrophobicContact CD2-CB 4.48Å; Y295-M299 HydrophobicContact CD1-CG 3.98Å; Y295-M299 HydrophobicContact CE1-CG 3.58Å; Y295-M299 WeakPolarHBondContact O-CG 3.43Å; Y295-M299 PolarHBondContact O-N 3.3Å; V296-M299 PolarHBondContact O-N 3.15Å; M299-H302 PolarHBondContact O-N 3.34Å; M299-A303 PolarHBondContact O-N 3.16Å
300R92.9Very high91.2Very high63 Ų6345.9 Ų45.924%0.23822%0.218CC..Hα-helixtrans-63-44.9172.7-71-179.4-166-1780.9111.7F272 L275 V296 R297 E298 H302 A303 Y304 E333 F337F272-R300 HydrophobicContact CZ-CG 4.47Å; L275-R300 HydrophobicContact CD2-CG 4.11Å; V296-R300 WeakPolarHBondContact O-CG 3.44Å; V296-R300 PolarHBondContact O-N 2.8Å; R297-R300 PolarHBondContact O-N 2.97Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.27Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.43Å; R300-A303 PolarHBondContact O-N 3.2Å; R300-Y304 HydrophobicContact CB-CD2 4.48Å; R300-Y304 HydrophobicContact CB-CE2 4.19Å; R300-Y304 WeakPolarHBondContact O-CD2 3.44Å; R300-Y304 PolarHBondContact O-N 3.23Å; R300-E333 WeakPolarHBondContact CD-OE1 3.21Å; R300-E333 IonicContact CZ-OE1 3.92Å; R300-E333 IonicContact NE-OE1 3.16Å; R300-E333 IonicContact NH1-OE1 2.7Å; R300-E333 PolarHBondContact NH1-OE1 3.21Å; R300-E333 IonicContact NH1-OE2 3.82Å; R300-F337 HydrophobicContact CB-CE2 4.35Å; R300-F337 HydrophobicContact CB-CZ 4.41Å
301I92.5Very high91.3Very high11 Ų1146.9 Ų46.96%0.05621%0.212CC..Hα-helixtrans-59.5-43.7176.2-65.8164.4000110.5R297 E298 Y304 S305 F337 R342 L343R297-I301 HydrophobicContact CG-CD1 4.36Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.92Å; E298-I301 WeakPolarHBondContact O-CB 3.35Å; E298-I301 PolarHBondContact O-N 3.16Å; E298-I301 VanDerWaalsContact O-N 3.17Å; I301-Y304 PolarHBondContact O-N 2.96Å; I301-S305 VanDerWaalsContact O-CB 3.25Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.33Å; I301-F337 HydrophobicContact CD1-CD1 3.79Å; I301-F337 HydrophobicContact CD1-CE1 3.83Å; I301-F337 HydrophobicContact CD1-CG 4.45Å; I301-F337 HydrophobicContact CD1-CZ 4.48Å; I301-F337 HydrophobicContact CG1-CD1 3.7Å; I301-F337 HydrophobicContact CG1-CD2 4.12Å; I301-F337 HydrophobicContact CG1-CE1 3.73Å; I301-F337 HydrophobicContact CG1-CE2 4.14Å; I301-F337 HydrophobicContact CG1-CG 3.91Å; I301-F337 HydrophobicContact CG1-CZ 3.95Å; I301-R342 HydrophobicContact CD1-CB 4.01Å; I301-R342 HydrophobicContact CD1-CG 4.2Å; I301-R342 HydrophobicContact CG2-CB 4.36Å; I301-L343 HydrophobicContact CG2-CD2 4.02Å; I301-L343 HydrophobicContact CG2-CG 4.43Å
302H91.6Very high91.2Very high72 Ų7256 Ų5633%0.33325%0.246SC..Hα-helixtrans-61.4-46177.1-76.2-62.1000112.5E298 M299 R300 Y304 S305 Q306E298-H302 PolarHBondContact O-CD2 3.09Å; E298-H302 PolarHBondContact O-N 3.35Å; M299-H302 PolarHBondContact O-N 3.34Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.43Å; H302-Y304 PolarHBondContact O-N 3.4Å; H302-S305 PolarHBondContact O-N 3.18Å; H302-Q306 WeakPolarHBondContact O-CB 3.37Å; H302-Q306 PolarHBondContact O-N 3.34Å
303A92.5Very high91.1Very high0 Ų057.5 Ų57.50%026%0.262CS..Hα-helixtrans-62.5-44.1178.500000111.9L263 Y268 F271 M299 R300 Q306 L307 F323L263-A303 HydrophobicContact CD1-CB 4.18Å; Y268-A303 HydrophobicContact CD1-CB 4.32Å; Y268-A303 HydrophobicContact CE1-CB 4.42Å; F271-A303 HydrophobicContact CD1-CB 4.06Å; F271-A303 HydrophobicContact CE1-CB 3.66Å; M299-A303 PolarHBondContact O-N 3.16Å; R300-A303 PolarHBondContact O-N 3.2Å; A303-Q306 PolarHBondContact O-N 3.48Å; A303-L307 PolarHBondContact O-N 3.31Å; A303-F323 HydrophobicContact CB-CE1 4Å; A303-F323 HydrophobicContact CB-CZ 4.4Å
304Y92.4Very high91.2Very high0 Ų049.3 Ų49.30%023%0.232CC..Hα-helixtrans-64.7-46.7175.3-66.5-41.2000112.3F272 R300 I301 H302 Q306 L307 L308 M319 F323 I330 E333 L334 F337 L343F272-Y304 HydrophobicContact CZ-CE1 4.19Å; F272-Y304 AromaticContact CZ-CZ 3.91Å; F272-Y304 WeakPolarHBondContact CZ-OH 3.06Å; R300-Y304 HydrophobicContact CB-CD2 4.48Å; R300-Y304 HydrophobicContact CB-CE2 4.19Å; R300-Y304 WeakPolarHBondContact O-CD2 3.44Å; R300-Y304 PolarHBondContact O-N 3.23Å; I301-Y304 PolarHBondContact O-N 2.96Å; H302-Y304 PolarHBondContact O-N 3.4Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.19Å; Y304-L307 PolarHBondContact O-N 3.21Å; Y304-L308 WeakPolarHBondContact O-CB 3.33Å; Y304-L308 WeakPolarHBondContact O-CG 3.43Å; Y304-L308 PolarHBondContact O-N 3.17Å; Y304-M319 HydrophobicContact CD1-CE 3.15Å; Y304-M319 HydrophobicContact CE1-CE 3.59Å; Y304-M319 HydrophobicContact CG-CE 3.95Å; Y304-F323 HydrophobicContact CD1-CD2 4.32Å; Y304-F323 AromaticContact CD1-CE1 3.9Å; Y304-F323 HydrophobicContact CD1-CE1 3.9Å; Y304-F323 AromaticContact CD1-CE2 3.6Å; Y304-F323 HydrophobicContact CD1-CE2 3.6Å; Y304-F323 AromaticContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CE1-CD1 4.02Å; Y304-F323 AromaticContact CE1-CD2 3.95Å; Y304-F323 HydrophobicContact CE1-CD2 3.95Å; Y304-F323 AromaticContact CE1-CE1 3.76Å; Y304-F323 HydrophobicContact CE1-CE1 3.76Å; Y304-F323 AromaticContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CG 4.14Å; Y304-F323 AromaticContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CG-CZ 4.49Å; Y304-I330 HydrophobicContact CE1-CD1 3.74Å; Y304-I330 WeakPolarHBondContact OH-CD1 3.38Å; Y304-E333 HydrophobicContact CE2-CB 4.33Å; Y304-E333 PolarHBondContact OH-OE2 2.63Å; Y304-L334 HydrophobicContact CD2-CD2 4.23Å; Y304-L334 HydrophobicContact CG-CD2 4.18Å; Y304-F337 HydrophobicContact CD2-CD2 4.14Å; Y304-F337 HydrophobicContact CD2-CE2 4.08Å; Y304-F337 HydrophobicContact CE2-CD2 4.32Å; Y304-F337 AromaticContact CE2-CE2 3.95Å; Y304-F337 HydrophobicContact CE2-CE2 3.95Å; Y304-L343 HydrophobicContact CD2-CD1 4.31Å
305S90.8Very high91.2Very high49 Ų4949.6 Ų49.634%0.34324%0.241SC..Hα-helixtrans-57.3-41.3177.4-167.90000111.5I301 H302 L307 L308 E309I301-S305 VanDerWaalsContact O-CB 3.25Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.33Å; H302-S305 PolarHBondContact O-N 3.18Å; S305-L307 PolarHBondContact O-N 3.12Å; S305-L308 PolarHBondContact O-N 2.77Å; S305-E309 VanDerWaalsContact O-CB 3.29Å; S305-E309 WeakPolarHBondContact O-CB 3.43Å; S305-E309 PolarHBondContact O-N 3.48Å
306Q90.6Very high91Very high33 Ų3350 Ų5015%0.15424%0.243CC..Hα-helixtrans-63.5-41.3179.4-176177.3-30.400112.7L263 C266 H302 A303 Y304 S310L263-Q306 PolarHBondContact O-NE2 3.01Å; C266-Q306 PolarHBondContact SG-NE2 2.86Å; H302-Q306 WeakPolarHBondContact O-CB 3.37Å; H302-Q306 PolarHBondContact O-N 3.34Å; A303-Q306 PolarHBondContact O-N 3.48Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.19Å; Q306-S310 PolarHBondContact O-OG 3.3Å
307L91.3Very high90.9Very high8 Ų851.2 Ų51.24%0.04226%0.257CS..Hα-helixtrans-68.6-47.7176-177.366.1000110.6Y268 A303 Y304 S305 E309 S310 Y311 Y318 M319 F323Y268-L307 HydrophobicContact CE2-CB 4.2Å; Y268-L307 HydrophobicContact CE2-CD1 3.88Å; Y268-L307 HydrophobicContact CE2-CG 4.49Å; A303-L307 PolarHBondContact O-N 3.31Å; Y304-L307 PolarHBondContact O-N 3.21Å; S305-L307 PolarHBondContact O-N 3.12Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 2.92Å; L307-S310 PolarHBondContact O-N 3.24Å; L307-Y311 HydrophobicContact CD1-CD2 4.22Å; L307-Y311 HydrophobicContact CD1-CE2 3.87Å; L307-Y311 WeakPolarHBondContact O-CD2 3.44Å; L307-Y318 HydrophobicContact CD1-CE1 4.46Å; L307-M319 HydrophobicContact CD2-CG 3.99Å; L307-F323 HydrophobicContact CB-CE2 4.46Å; L307-F323 HydrophobicContact CD2-CD2 4.33Å; L307-F323 HydrophobicContact CD2-CE2 3.56Å; L307-F323 HydrophobicContact CD2-CZ 4.4Å
308L89Confident90.9Very high10 Ų1051.3 Ų51.35%0.05226%0.258CS..Hα-helixtrans-64.2-34-177.3-67.1176.4000112.6Y304 S305 S310 Y311 L314 L343 C345 V354 T356Y304-L308 WeakPolarHBondContact O-CB 3.33Å; Y304-L308 WeakPolarHBondContact O-CG 3.43Å; Y304-L308 PolarHBondContact O-N 3.17Å; S305-L308 PolarHBondContact O-N 2.77Å; L308-S310 PolarHBondContact O-N 3.18Å; L308-Y311 PolarHBondContact O-N 3.42Å; L308-L314 HydrophobicContact CD2-CD1 4.08Å; L308-L314 HydrophobicContact CD2-CD2 3.44Å; L308-L314 VanDerWaalsContact CD2-CD2 3.44Å; L308-L314 HydrophobicContact CD2-CG 4.3Å; L308-L343 HydrophobicContact CD1-CD2 4.37Å; L308-C345 HydrophobicContact CD1-CB 4.18Å; L308-V354 HydrophobicContact CD2-CG1 3.99Å; L308-T356 HydrophobicContact CB-CG2 3.8Å; L308-T356 HydrophobicContact CD2-CG2 3.92Å; L308-T356 HydrophobicContact CG-CG2 4.36Å; L308-T356 WeakPolarHBondContact O-CG2 2.99Å
309E87.3Confident90.8Very high136 Ų13651 Ų5164%0.63626%0.256SS*.Hα-helixtrans-62.7-30.9-179.3-170.1127.8-154.700113S305 L307 R358S305-E309 VanDerWaalsContact O-CB 3.29Å; S305-E309 WeakPolarHBondContact O-CB 3.43Å; S305-E309 PolarHBondContact O-N 3.48Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 2.92Å; E309-R358 PolarHBondContact O-NH2 3.05Å
310S88.2Confident90.8Very high82 Ų8251.3 Ų51.357%0.57326%0.259SS*.Hα-helixtrans-78-21.1-177-50.70000113.2Q306 L307 L308Q306-S310 PolarHBondContact O-OG 3.3Å; L307-S310 PolarHBondContact O-N 3.24Å; L308-S310 PolarHBondContact O-N 3.18Å
311Y88.6Confident90.8Very high100 Ų10055.6 Ų55.639%0.39228%0.282SS..  trans-126.4136.9-172.6-61.9-77.6000112L307 L308 Y318 T356L307-Y311 HydrophobicContact CD1-CD2 4.22Å; L307-Y311 HydrophobicContact CD1-CE2 3.87Å; L307-Y311 WeakPolarHBondContact O-CD2 3.44Å; L308-Y311 PolarHBondContact O-N 3.42Å; Y311-Y318 HydrophobicContact CE2-CE1 4.43Å; Y311-T356 WeakPolarHBondContact O-CG2 3.44Å; Y311-T356 PolarHBondContact O-OG1 3.17Å
312R86.7Confident90.8Very high211 Ų21156.1 Ų56.180%0.79629%0.288SS*.SBendtrans-73.1-40.5172.8-175.8176.5177.6174.4-1.5112.2T356R312-T356 WeakPolarHBondContact CA-OG1 3.44Å; R312-T356 PolarHBondContact O-N 2.96Å; R312-T356 PolarHBondContact O-OG1 2.9Å; R312-T356 VanDerWaalsContact O-OG1 3.04Å
313S89.1Confident90.8Very high70 Ų7052.8 Ų52.849%0.4927%0.272SS..EExtended strand (participates in β ladder)trans-142.1141.3177.454.70000108.9V354S313-V354 WeakPolarHBondContact CA-O 2.94Å
314L91.9Very high90.8Very high12 Ų1255.5 Ų55.56%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-142.7154.2176.352.8127.4000109.8L308 M319 I353 V354 T356L308-L314 HydrophobicContact CD2-CD1 4.08Å; L308-L314 HydrophobicContact CD2-CD2 3.44Å; L308-L314 VanDerWaalsContact CD2-CD2 3.44Å; L308-L314 HydrophobicContact CD2-CG 4.3Å; L314-M319 HydrophobicContact CD1-CB 3.89Å; L314-M319 HydrophobicContact CD1-CG 4.26Å; L314-M319 HydrophobicContact CD1-SD 3.68Å; L314-I353 CarbonylContact O-C 3.5Å; L314-I353 WeakPolarHBondContact O-CA 3.44Å; L314-V354 HydrophobicContact CD1-CB 4.11Å; L314-V354 HydrophobicContact CD1-CG2 4.43Å; L314-V354 HydrophobicContact CG-CB 4.02Å; L314-V354 PolarHBondContact N-O 3.33Å; L314-V354 PolarHBondContact O-N 3.46Å; L314-T356 HydrophobicContact CD2-CG2 4.47Å
315T92.7Very high90.8Very high72 Ų7257.5 Ų57.544%0.44231%0.312SS..EExtended strand (participates in β ladder)trans-83.4146.7173.857.80000110.8G317 Y318 M319 E352T315-G317 PolarHBondContact O-N 3.49Å; T315-Y318 PolarHBondContact O-N 3.32Å; T315-Y318 WeakPolarHBondContact OG1-CB 3.18Å; T315-Y318 PolarHBondContact OG1-N 2.82Å; T315-M319 PolarHBondContact O-N 2.86Å; T315-E352 CarbonylContact C-O 3.5Å; T315-E352 VanDerWaalsContact CA-O 3.29Å; T315-E352 WeakPolarHBondContact CA-O 3.43Å
316L90.2Very high90.9Very high8 Ų858.4 Ų58.44%0.04232%0.319CS..Hα-helixtrans-60.5-36174.9-75.2171.7000111.4M319 A320 I330 L334 I347 E352 V354L316-M319 PolarHBondContact O-N 3.09Å; L316-A320 VanDerWaalsContact O-CB 3.32Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 3.06Å; L316-I330 HydrophobicContact CD2-CG2 4.06Å; L316-L334 HydrophobicContact CD2-CD1 4.44Å; L316-I347 HydrophobicContact CD1-CG2 4.05Å; L316-I347 HydrophobicContact CD2-CG2 4.43Å; L316-E352 HydrophobicContact CB-CB 4.33Å; L316-E352 HydrophobicContact CD1-CB 4.27Å; L316-E352 PolarHBondContact N-O 3.22Å; L316-V354 HydrophobicContact CD2-CG2 3.37Å; L316-V354 HydrophobicContact CG-CG2 3.9Å
317G92.3Very high91Very high32 Ų3259.7 Ų59.733%0.3333%0.329SS..Hα-helixtrans-60.4-46.117600000113.1T315 M319 A320 E321T315-G317 PolarHBondContact O-N 3.49Å; G317-M319 VanDerWaalsContact C-N 3.33Å; G317-M319 PolarHBondContact O-N 3.37Å; G317-A320 PolarHBondContact O-N 3.27Å; G317-E321 PolarHBondContact O-N 2.94Å
318Y91.9Very high91Very high102 Ų10266 Ų6640%0.436%0.358SS..Hα-helixtrans-62.4-41.9176.6172.8-107.3000111.8L307 Y311 T315 E321 A322L307-Y318 HydrophobicContact CD1-CE1 4.46Å; Y311-Y318 HydrophobicContact CE2-CE1 4.43Å; T315-Y318 PolarHBondContact O-N 3.32Å; T315-Y318 WeakPolarHBondContact OG1-CB 3.18Å; T315-Y318 PolarHBondContact OG1-N 2.82Å; Y318-E321 PolarHBondContact O-N 3.01Å; Y318-A322 WeakPolarHBondContact O-CB 3.25Å; Y318-A322 PolarHBondContact O-N 3.2Å
319M91.9Very high91.2Very high0 Ų069 Ų690%037%0.37CS..Hα-helixtrans-64.1-44.6177.1-170.7165.9-178.100111.4Y304 L307 L314 T315 L316 G317 E321 A322 F323 I330 L334Y304-M319 HydrophobicContact CD1-CE 3.15Å; Y304-M319 HydrophobicContact CE1-CE 3.59Å; Y304-M319 HydrophobicContact CG-CE 3.95Å; L307-M319 HydrophobicContact CD2-CG 3.99Å; L314-M319 HydrophobicContact CD1-CB 3.89Å; L314-M319 HydrophobicContact CD1-CG 4.26Å; L314-M319 HydrophobicContact CD1-SD 3.68Å; T315-M319 PolarHBondContact O-N 2.86Å; L316-M319 PolarHBondContact O-N 3.09Å; G317-M319 VanDerWaalsContact C-N 3.33Å; G317-M319 PolarHBondContact O-N 3.37Å; M319-E321 VanDerWaalsContact C-N 3.35Å; M319-E321 PolarHBondContact O-N 3.32Å; M319-A322 PolarHBondContact O-N 3.31Å; M319-F323 HydrophobicContact CE-CD2 4.42Å; M319-F323 HydrophobicContact CE-CE2 3.89Å; M319-F323 HydrophobicContact CG-CD2 3.83Å; M319-F323 HydrophobicContact CG-CE2 3.95Å; M319-F323 VanDerWaalsContact O-CD2 3.27Å; M319-F323 WeakPolarHBondContact O-CD2 3.47Å; M319-F323 PolarHBondContact O-N 2.98Å; M319-I330 HydrophobicContact CE-CG2 4.36Å; M319-I330 HydrophobicContact CG-CG2 4.22Å; M319-I330 HydrophobicContact SD-CG2 3.99Å; M319-L334 HydrophobicContact CE-CD1 3.96Å; M319-L334 HydrophobicContact CE-CD2 3.94Å; M319-L334 HydrophobicContact CE-CG 4.31Å; M319-L334 HydrophobicContact SD-CD1 3.87Å
320A92.6Very high91.5Very high6 Ų662.5 Ų62.55%0.0534%0.34CS..Hα-helixtrans-58.3-45.5176.400000111.9L316 G317 F323 G324 V325 T327L316-A320 VanDerWaalsContact O-CB 3.32Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 3.06Å; G317-A320 PolarHBondContact O-N 3.27Å; A320-F323 PolarHBondContact O-N 3.5Å; A320-G324 WeakPolarHBondContact O-CA 3.38Å; A320-G324 PolarHBondContact O-N 3.04Å; A320-V325 CarbonylContact C-O 3.54Å; A320-V325 WeakPolarHBondContact CB-O 3.48Å; A320-V325 PolarHBondContact O-N 3.32Å; A320-T327 HydrophobicContact CB-CG2 3.75Å
321E93.3Very high91.6Very high154 Ų15460 Ų6072%0.7232%0.321SS*.Hα-helixtrans-64.1-46176.5-171.6179.9-178.100112.2G317 Y318 M319 F323 G324G317-E321 PolarHBondContact O-N 2.94Å; Y318-E321 PolarHBondContact O-N 3.01Å; M319-E321 VanDerWaalsContact C-N 3.35Å; M319-E321 PolarHBondContact O-N 3.32Å; E321-F323 VanDerWaalsContact C-N 3.32Å; E321-F323 PolarHBondContact O-N 2.85Å; E321-G324 PolarHBondContact O-N 3.05Å; E321-G324 VanDerWaalsContact O-N 3.09Å
322A91.5Very high91.8Very high22 Ų2261.6 Ų61.618%0.18233%0.331CS..Hα-helixtrans-60.1-40.9179.500000112.3Y268 S269 Y318 M319Y268-A322 WeakPolarHBondContact CB-O 3.38Å; S269-A322 PolarHBondContact N-O 2.88Å; S269-A322 VanDerWaalsContact N-O 3.11Å; S269-A322 PolarHBondContact OG-O 2.95Å; Y318-A322 WeakPolarHBondContact O-CB 3.25Å; Y318-A322 PolarHBondContact O-N 3.2Å; M319-A322 PolarHBondContact O-N 3.31Å
323F91.8Very high92Very high2 Ų252.5 Ų52.51%0.00930%0.298CS..Hα-helixtrans-84.1-11.7177-76.5-82.8000113.6Y268 S269 F272 A303 Y304 L307 M319 A320 E321 V325 I330Y268-F323 HydrophobicContact CD1-CD1 4.47Å; Y268-F323 AromaticContact CD1-CE1 3.66Å; Y268-F323 HydrophobicContact CD1-CE1 3.66Å; Y268-F323 AromaticContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD2-CZ 4.4Å; Y268-F323 HydrophobicContact CE1-CZ 4.29Å; Y268-F323 HydrophobicContact CG-CD1 4.2Å; Y268-F323 AromaticContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE2 4.42Å; Y268-F323 AromaticContact CG-CZ 3.86Å; Y268-F323 HydrophobicContact CG-CZ 3.86Å; S269-F323 WeakPolarHBondContact CA-O 3.49Å; F272-F323 AromaticContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CE1 4.4Å; F272-F323 AromaticContact CE1-CD1 3.41Å; F272-F323 HydrophobicContact CE1-CD1 3.41Å; F272-F323 VanDerWaalsContact CE1-CD1 3.41Å; F272-F323 AromaticContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE2-CD1 4.08Å; F272-F323 HydrophobicContact CG-CD1 4.47Å; F272-F323 AromaticContact CZ-CD1 3.51Å; F272-F323 HydrophobicContact CZ-CD1 3.51Å; F272-F323 AromaticContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CG 4.38Å; A303-F323 HydrophobicContact CB-CE1 4Å; A303-F323 HydrophobicContact CB-CZ 4.4Å; Y304-F323 HydrophobicContact CD1-CD2 4.32Å; Y304-F323 AromaticContact CD1-CE1 3.9Å; Y304-F323 HydrophobicContact CD1-CE1 3.9Å; Y304-F323 AromaticContact CD1-CE2 3.6Å; Y304-F323 HydrophobicContact CD1-CE2 3.6Å; Y304-F323 AromaticContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CE1-CD1 4.02Å; Y304-F323 AromaticContact CE1-CD2 3.95Å; Y304-F323 HydrophobicContact CE1-CD2 3.95Å; Y304-F323 AromaticContact CE1-CE1 3.76Å; Y304-F323 HydrophobicContact CE1-CE1 3.76Å; Y304-F323 AromaticContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CG 4.14Å; Y304-F323 AromaticContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CG-CZ 4.49Å; L307-F323 HydrophobicContact CB-CE2 4.46Å; L307-F323 HydrophobicContact CD2-CD2 4.33Å; L307-F323 HydrophobicContact CD2-CE2 3.56Å; L307-F323 HydrophobicContact CD2-CZ 4.4Å; M319-F323 HydrophobicContact CE-CD2 4.42Å; M319-F323 HydrophobicContact CE-CE2 3.89Å; M319-F323 HydrophobicContact CG-CD2 3.83Å; M319-F323 HydrophobicContact CG-CE2 3.95Å; M319-F323 VanDerWaalsContact O-CD2 3.27Å; M319-F323 WeakPolarHBondContact O-CD2 3.47Å; M319-F323 PolarHBondContact O-N 2.98Å; A320-F323 PolarHBondContact O-N 3.5Å; E321-F323 VanDerWaalsContact C-N 3.32Å; E321-F323 PolarHBondContact O-N 2.85Å; F323-V325 HydrophobicContact CB-CG2 3.79Å; F323-I330 HydrophobicContact CB-CD1 4.41Å; F323-I330 HydrophobicContact CD2-CD1 4.44Å
324G91.8Very high92.1Very high57 Ų5749.2 Ų49.259%0.58828%0.275SS*.THydrogen-bonded Turntrans68.333.3-178.500000113.8A320 E321A320-G324 WeakPolarHBondContact O-CA 3.38Å; A320-G324 PolarHBondContact O-N 3.04Å; E321-G324 PolarHBondContact O-N 3.05Å; E321-G324 VanDerWaalsContact O-N 3.09Å
325V93.1Very high92Very high41 Ų4151.3 Ų51.325%0.24829%0.291CS..SBendtrans-128.6170.2-177-66.10000110.9F272 A320 F323 F329 I330F272-V325 HydrophobicContact CD2-CG1 3.9Å; F272-V325 HydrophobicContact CE2-CG1 4.2Å; A320-V325 CarbonylContact C-O 3.54Å; A320-V325 WeakPolarHBondContact CB-O 3.48Å; A320-V325 PolarHBondContact O-N 3.32Å; F323-V325 HydrophobicContact CB-CG2 3.79Å; V325-F329 HydrophobicContact CB-CD1 3.95Å; V325-F329 HydrophobicContact CG1-CD1 4.14Å; V325-F329 HydrophobicContact CG1-CE1 4.34Å; V325-F329 HydrophobicContact CG2-CD1 4.03Å; V325-I330 HydrophobicContact CG2-CD1 3.49Å; V325-I330 VanDerWaalsContact CG2-CD1 3.49Å; V325-I330 HydrophobicContact CG2-CG1 3.52Å
326S93.4Very high92Very high69 Ų6956.4 Ų56.448%0.48330%0.302SS..  trans-74.3154.2176.1650000112.3E328 F329 I330S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.08Å; S326-F329 PolarHBondContact O-N 3.11Å; S326-F329 WeakPolarHBondContact OG-CB 3.49Å; S326-F329 PolarHBondContact OG-N 3.41Å; S326-I330 PolarHBondContact O-N 3Å
327T91.4Very high92.1Very high60 Ų6056.3 Ų56.337%0.36830%0.301SS..Hα-helixtrans-60.4-39.7175.149.30000111.9A320 F329 I330 D331A320-T327 HydrophobicContact CB-CG2 3.75Å; T327-F329 VanDerWaalsContact C-N 3.31Å; T327-F329 PolarHBondContact O-N 3.41Å; T327-I330 PolarHBondContact O-N 2.78Å; T327-D331 WeakPolarHBondContact O-CB 3.37Å; T327-D331 PolarHBondContact O-N 2.65Å
328E92.7Very high92Very high139 Ų13957.1 Ų57.165%0.6530%0.297SS*.Hα-helixtrans-60.4-39.1176.3-64.6-178.7171.500112.6S326 D331 Q332S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.08Å; E328-D331 PolarHBondContact O-N 3.06Å; E328-Q332 WeakPolarHBondContact O-CG 3.48Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 VanDerWaalsContact O-N 3.11Å
329F92.9Very high91.8Very high73 Ų7356.5 Ų56.532%0.3231%0.314SS..Hα-helixtrans-66.8-44.7178.7-179.6-95.1000111.3F272 V325 S326 T327 D331 Q332 E333F272-F329 HydrophobicContact CE2-CE1 4.27Å; V325-F329 HydrophobicContact CB-CD1 3.95Å; V325-F329 HydrophobicContact CG1-CD1 4.14Å; V325-F329 HydrophobicContact CG1-CE1 4.34Å; V325-F329 HydrophobicContact CG2-CD1 4.03Å; S326-F329 PolarHBondContact O-N 3.11Å; S326-F329 WeakPolarHBondContact OG-CB 3.49Å; S326-F329 PolarHBondContact OG-N 3.41Å; T327-F329 VanDerWaalsContact C-N 3.31Å; T327-F329 PolarHBondContact O-N 3.41Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.23Å; F329-Q332 PolarHBondContact O-N 3.19Å; F329-E333 HydrophobicContact CE1-CG 4.06Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.22Å; F329-E333 HydrophobicContact CE2-CG 4.48Å; F329-E333 HydrophobicContact CZ-CG 4.04Å; F329-E333 VanDerWaalsContact CZ-OE2 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE2 3Å; F329-E333 PolarHBondContact O-N 2.67Å
330I92.4Very high91.7Very high0 Ų059.8 Ų59.80%034%0.34CS..Hα-helixtrans-61.9-42.3175.7-67.7-64.3000111.3Y304 L316 M319 F323 V325 S326 T327 Q332 E333 L334Y304-I330 HydrophobicContact CE1-CD1 3.74Å; Y304-I330 WeakPolarHBondContact OH-CD1 3.38Å; L316-I330 HydrophobicContact CD2-CG2 4.06Å; M319-I330 HydrophobicContact CE-CG2 4.36Å; M319-I330 HydrophobicContact CG-CG2 4.22Å; M319-I330 HydrophobicContact SD-CG2 3.99Å; F323-I330 HydrophobicContact CB-CD1 4.41Å; F323-I330 HydrophobicContact CD2-CD1 4.44Å; V325-I330 HydrophobicContact CG2-CD1 3.49Å; V325-I330 VanDerWaalsContact CG2-CD1 3.49Å; V325-I330 HydrophobicContact CG2-CG1 3.52Å; S326-I330 PolarHBondContact O-N 3Å; T327-I330 PolarHBondContact O-N 2.78Å; I330-Q332 PolarHBondContact O-N 3.38Å; I330-E333 PolarHBondContact O-N 3.27Å; I330-L334 HydrophobicContact CG2-CD1 3.51Å; I330-L334 HydrophobicContact CG2-CG 3.97Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.34Å
331D91.1Very high91.3Very high31 Ų3161.5 Ų61.517%0.16636%0.359CS..Hα-helixtrans-60.2-44.9178.2-17237.2000111.6T327 E328 F329 S335 K349T327-D331 WeakPolarHBondContact O-CB 3.37Å; T327-D331 PolarHBondContact O-N 2.65Å; E328-D331 PolarHBondContact O-N 3.06Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.48Å; D331-S335 PolarHBondContact O-N 3.02Å; D331-S335 PolarHBondContact O-OG 2.93Å; D331-K349 IonicContact OD2-NZ 2.73Å; D331-K349 PolarHBondContact OD2-NZ 3.2Å
332Q91.9Very high90.9Very high132 Ų13260.4 Ų60.462%0.61735%0.348SS*.Hα-helixtrans-66-41.6177.1-70.417818.800113E328 F329 I330 S335 R336E328-Q332 WeakPolarHBondContact O-CG 3.48Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 VanDerWaalsContact O-N 3.11Å; F329-Q332 PolarHBondContact O-N 3.19Å; I330-Q332 PolarHBondContact O-N 3.38Å; Q332-S335 PolarHBondContact O-OG 3.18Å; Q332-R336 PolarHBondContact O-N 3.25Å
333E91.3Very high90.7Very high21 Ų2159.7 Ų59.710%0.09834%0.341CS..Hα-helixtrans-71-47.5179.4-74.1-147.6103.500112.3R300 Y304 F329 I330 S335 R336 F337R300-E333 WeakPolarHBondContact CD-OE1 3.21Å; R300-E333 IonicContact CZ-OE1 3.92Å; R300-E333 IonicContact NE-OE1 3.16Å; R300-E333 IonicContact NH1-OE1 2.7Å; R300-E333 PolarHBondContact NH1-OE1 3.21Å; R300-E333 IonicContact NH1-OE2 3.82Å; Y304-E333 HydrophobicContact CE2-CB 4.33Å; Y304-E333 PolarHBondContact OH-OE2 2.63Å; F329-E333 HydrophobicContact CE1-CG 4.06Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.22Å; F329-E333 HydrophobicContact CE2-CG 4.48Å; F329-E333 HydrophobicContact CZ-CG 4.04Å; F329-E333 VanDerWaalsContact CZ-OE2 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE2 3Å; F329-E333 PolarHBondContact O-N 2.67Å; I330-E333 PolarHBondContact O-N 3.27Å; E333-S335 PolarHBondContact O-N 3.01Å; E333-R336 PolarHBondContact O-N 3.1Å; E333-F337 HydrophobicContact CB-CE2 4.19Å; E333-F337 WeakPolarHBondContact O-CD2 3.01Å; E333-F337 WeakPolarHBondContact O-CG 3.17Å; E333-F337 PolarHBondContact O-N 2.93Å; E333-F337 VanDerWaalsContact O-N 3.09Å
334L90.9Very high90.4Very high0 Ų063.7 Ų63.70%036%0.36CS..Hα-helixtrans-63.6-44.1180-70.6180000111.3Y304 L316 M319 I330 R336 F337 I338 L343 I347 V354Y304-L334 HydrophobicContact CD2-CD2 4.23Å; Y304-L334 HydrophobicContact CG-CD2 4.18Å; L316-L334 HydrophobicContact CD2-CD1 4.44Å; M319-L334 HydrophobicContact CE-CD1 3.96Å; M319-L334 HydrophobicContact CE-CD2 3.94Å; M319-L334 HydrophobicContact CE-CG 4.31Å; M319-L334 HydrophobicContact SD-CD1 3.87Å; I330-L334 HydrophobicContact CG2-CD1 3.51Å; I330-L334 HydrophobicContact CG2-CG 3.97Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.34Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.84Å; L334-F337 PolarHBondContact O-N 3.36Å; L334-F337 VanDerWaalsContact O-N 3.1Å; L334-I338 HydrophobicContact CB-CD1 4.24Å; L334-I338 WeakPolarHBondContact O-CB 3.22Å; L334-I338 WeakPolarHBondContact O-CD1 3.49Å; L334-I338 WeakPolarHBondContact O-CG1 3.26Å; L334-I338 PolarHBondContact O-N 3.45Å; L334-L343 HydrophobicContact CD2-CD1 3.54Å; L334-I347 HydrophobicContact CB-CD1 3.58Å; L334-I347 HydrophobicContact CD1-CD1 4.2Å; L334-V354 HydrophobicContact CD1-CG2 4.31Å
335S90.6Very high90.2Very high57 Ų5761.2 Ų61.240%0.39933%0.333SS..Hα-helixtrans-56.9-42.2177.658.10000112.1D331 Q332 E333 A339D331-S335 WeakPolarHBondContact O-CB 3.48Å; D331-S335 PolarHBondContact O-N 3.02Å; D331-S335 PolarHBondContact O-OG 2.93Å; Q332-S335 PolarHBondContact O-OG 3.18Å; E333-S335 PolarHBondContact O-N 3.01Å; S335-A339 VanDerWaalsContact O-CB 3.24Å; S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.46Å
336R92.4Very high90.1Very high178 Ų17865.7 Ų65.767%0.67235%0.35SS*.Hα-helixtrans-62.6-43.3175.2-174.2-178.9179.4179.32.2112.5Q332 E333 L334 A340Q332-R336 PolarHBondContact O-N 3.25Å; E333-R336 PolarHBondContact O-N 3.1Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.84Å; R336-A340 WeakPolarHBondContact O-CB 3.35Å; R336-A340 PolarHBondContact O-N 3.5Å
337F92.4Very high89.9Confident7 Ų764.5 Ų64.53%0.03134%0.337CS..Hα-helixtrans-75.4-32.7-178.3-65.2-41.3000113.7R297 R300 I301 Y304 E333 L334 A340 G341 R342 L343R297-F337 HydrophobicContact CG-CE1 3.61Å; R297-F337 HydrophobicContact CG-CZ 4.04Å; R300-F337 HydrophobicContact CB-CE2 4.35Å; R300-F337 HydrophobicContact CB-CZ 4.41Å; I301-F337 HydrophobicContact CD1-CD1 3.79Å; I301-F337 HydrophobicContact CD1-CE1 3.83Å; I301-F337 HydrophobicContact CD1-CG 4.45Å; I301-F337 HydrophobicContact CD1-CZ 4.48Å; I301-F337 HydrophobicContact CG1-CD1 3.7Å; I301-F337 HydrophobicContact CG1-CD2 4.12Å; I301-F337 HydrophobicContact CG1-CE1 3.73Å; I301-F337 HydrophobicContact CG1-CE2 4.14Å; I301-F337 HydrophobicContact CG1-CG 3.91Å; I301-F337 HydrophobicContact CG1-CZ 3.95Å; Y304-F337 HydrophobicContact CD2-CD2 4.14Å; Y304-F337 HydrophobicContact CD2-CE2 4.08Å; Y304-F337 HydrophobicContact CE2-CD2 4.32Å; Y304-F337 AromaticContact CE2-CE2 3.95Å; Y304-F337 HydrophobicContact CE2-CE2 3.95Å; E333-F337 HydrophobicContact CB-CE2 4.19Å; E333-F337 WeakPolarHBondContact O-CD2 3.01Å; E333-F337 WeakPolarHBondContact O-CG 3.17Å; E333-F337 PolarHBondContact O-N 2.93Å; E333-F337 VanDerWaalsContact O-N 3.09Å; L334-F337 PolarHBondContact O-N 3.36Å; L334-F337 VanDerWaalsContact O-N 3.1Å; F337-A340 PolarHBondContact O-N 3.21Å; F337-G341 PolarHBondContact O-N 3.5Å; F337-R342 PolarHBondContact O-N 3.43Å; F337-L343 HydrophobicContact CB-CB 4.33Å; F337-L343 HydrophobicContact CB-CD1 3.65Å; F337-L343 HydrophobicContact CB-CG 3.9Å; F337-L343 HydrophobicContact CD2-CD1 4.02Å; F337-L343 HydrophobicContact CG-CD1 4.24Å; F337-L343 PolarHBondContact O-N 3.13Å
338I89.9Confident89.9Confident48 Ų4864.7 Ų64.725%0.24634%0.336CS..Hα-helixtrans-67.8-45.6172.6-65.5163000109.5L334 A340 G341 L343 C345 I347L334-I338 HydrophobicContact CB-CD1 4.24Å; L334-I338 WeakPolarHBondContact O-CB 3.22Å; L334-I338 WeakPolarHBondContact O-CD1 3.49Å; L334-I338 WeakPolarHBondContact O-CG1 3.26Å; L334-I338 PolarHBondContact O-N 3.45Å; I338-A340 VanDerWaalsContact C-N 3.26Å; I338-A340 PolarHBondContact O-N 3.12Å; I338-G341 WeakPolarHBondContact O-CA 3.36Å; I338-G341 PolarHBondContact O-N 3.21Å; I338-L343 HydrophobicContact CG1-CB 4.34Å; I338-C345 WeakPolarHBondContact CD1-O 3.23Å; I338-C345 VanDerWaalsContact CD1-SG 3.58Å; I338-C345 WeakPolarHBondContact CG2-O 3.26Å; I338-I347 HydrophobicContact CD1-CD1 3.72Å; I338-I347 HydrophobicContact CD1-CG1 3.68Å
339A89Confident89.6Confident90 Ų9064.8 Ų64.874%0.74434%0.335SS*.Hα-helixtrans-61-36.1175.800000112.3S335 G341S335-A339 VanDerWaalsContact O-CB 3.24Å; S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.46Å; A339-G341 PolarHBondContact O-N 3Å
340A88.1Confident89.3Confident68 Ų6867.6 Ų67.656%0.56236%0.357SS*.THydrogen-bonded Turntrans-74.3-6.617300000113.9R336 F337 I338 R342R336-A340 WeakPolarHBondContact O-CB 3.35Å; R336-A340 PolarHBondContact O-N 3.5Å; F337-A340 PolarHBondContact O-N 3.21Å; I338-A340 VanDerWaalsContact C-N 3.26Å; I338-A340 PolarHBondContact O-N 3.12Å; A340-R342 VanDerWaalsContact C-N 3.26Å; A340-R342 HydrophobicContact CB-CG 4.07Å; A340-R342 PolarHBondContact O-N 2.84Å
341G84.5Confident89.1Confident43 Ų4372.5 Ų72.544%0.44338%0.383SS..THydrogen-bonded Turntrans66.823.3-177.900000114.2F337 I338 A339F337-G341 PolarHBondContact O-N 3.5Å; I338-G341 WeakPolarHBondContact O-CA 3.36Å; I338-G341 PolarHBondContact O-N 3.21Å; A339-G341 PolarHBondContact O-N 3Å
342R86.2Confident89Confident131 Ų13176 Ų7649%0.49440%0.399SS..SBendtrans-90.9-27.1179.4-62-67.7-74.6-175.6-3112.6E298 I301 F337 A340E298-R342 IonicContact OE1-NH2 3.7Å; E298-R342 IonicContact OE2-CZ 2.63Å; E298-R342 IonicContact OE2-NE 2.72Å; E298-R342 IonicContact OE2-NH2 2.82Å; E298-R342 PolarHBondContact OE2-NH2 2.98Å; I301-R342 HydrophobicContact CD1-CB 4.01Å; I301-R342 HydrophobicContact CD1-CG 4.2Å; I301-R342 HydrophobicContact CG2-CB 4.36Å; F337-R342 PolarHBondContact O-N 3.43Å; A340-R342 VanDerWaalsContact C-N 3.26Å; A340-R342 HydrophobicContact CB-CG 4.07Å; A340-R342 PolarHBondContact O-N 2.84Å
343L87.1Confident89Confident6 Ų672.4 Ų72.43%0.03138%0.383CS..SBendtrans-114.4132.9172.4-69177.1000109.6I301 Y304 L308 L334 F337 I338 C345I301-L343 HydrophobicContact CG2-CD2 4.02Å; I301-L343 HydrophobicContact CG2-CG 4.43Å; Y304-L343 HydrophobicContact CD2-CD1 4.31Å; L308-L343 HydrophobicContact CD1-CD2 4.37Å; L334-L343 HydrophobicContact CD2-CD1 3.54Å; F337-L343 HydrophobicContact CB-CB 4.33Å; F337-L343 HydrophobicContact CB-CD1 3.65Å; F337-L343 HydrophobicContact CB-CG 3.9Å; F337-L343 HydrophobicContact CD2-CD1 4.02Å; F337-L343 HydrophobicContact CG-CD1 4.24Å; F337-L343 PolarHBondContact O-N 3.13Å; I338-L343 HydrophobicContact CG1-CB 4.34Å; L343-C345 PolarHBondContact O-N 2.98Å
344H85.4Confident88.9Confident86 Ų8671.4 Ų71.440%0.39838%0.379SS..  trans-98.564.5179.6-58.3-59000110.6N357 P359H344-N357 VanDerWaalsContact CB-O 3.28Å; H344-N357 WeakPolarHBondContact CB-O 3.35Å; H344-N357 PolarHBondContact O-N 3.22Å; H344-P359 HydrophobicContact CB-CG 4.22Å
345C87.9Confident88.8Confident5 Ų576.9 Ų76.93%0.03440%0.404CS..EExtended strand (participates in β ladder)trans-134.7162.3173.957.20000110.8L308 I338 L343 V354 E355 T356L308-C345 HydrophobicContact CD1-CB 4.18Å; I338-C345 WeakPolarHBondContact CD1-O 3.23Å; I338-C345 VanDerWaalsContact CD1-SG 3.58Å; I338-C345 WeakPolarHBondContact CG2-O 3.26Å; L343-C345 PolarHBondContact O-N 2.98Å; C345-V354 HydrophobicContact CB-CG1 3.81Å; C345-E355 CarbonylContact C-O 3.59Å; C345-E355 VanDerWaalsContact CA-O 3.24Å; C345-E355 WeakPolarHBondContact CA-O 3.26Å; C345-E355 WeakPolarHBondContact CB-O 3.47Å; C345-T356 HydrophobicContact CB-CG2 4.39Å
346K89.4Confident88.6Confident135 Ų13575.5 Ų75.559%0.58739%0.393SS*.EExtended strand (participates in β ladder)trans-121.1140.2172.9-65.4-178.8-179.2178.50107.9V354 E355K346-V354 WeakPolarHBondContact O-CA 3.33Å; K346-E355 PolarHBondContact N-O 3.45Å; K346-E355 PolarHBondContact O-N 2.79Å
347I90Very high88.1Confident44 Ų4471.3 Ų71.323%0.22638%0.384CS..EExtended strand (participates in β ladder)trans-106.1122.9177.8-53.3173.7000107.4L316 L334 I338 V354L316-I347 HydrophobicContact CD1-CG2 4.05Å; L316-I347 HydrophobicContact CD2-CG2 4.43Å; L334-I347 HydrophobicContact CB-CD1 3.58Å; L334-I347 HydrophobicContact CD1-CD1 4.2Å; I338-I347 HydrophobicContact CD1-CD1 3.72Å; I338-I347 HydrophobicContact CD1-CG1 3.68Å; I347-V354 HydrophobicContact CG1-CG2 4.37Å
348D90.9Very high87.1Confident64 Ų6479.7 Ų79.734%0.34242%0.416SS..EExtended strand (participates in β ladder)trans-97.8104.6163.4-176.8-9.7000108.3V350 N351 E352 I353D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact OD1-N 3.04Å; D348-N351 PolarHBondContact OD1-N 3.47Å; D348-N351 PolarHBondContact OD2-ND2 3Å; D348-E352 CarbonylContact O-C 3.57Å; D348-E352 VanDerWaalsContact O-CA 3.29Å; D348-E352 WeakPolarHBondContact O-CA 3.43Å; D348-E352 PolarHBondContact O-N 3.46Å; D348-I353 PolarHBondContact N-O 2.96Å; D348-I353 PolarHBondContact O-N 3.02Å
349K86.7Confident85.9Confident142 Ų14279.7 Ų79.762%0.61742%0.419SS*.THydrogen-bonded Turntrans-75-23.5-177.4-172163-175.3158.30113.2D331D331-K349 IonicContact OD2-NZ 2.73Å; D331-K349 PolarHBondContact OD2-NZ 3.2Å
350V88Confident85.1Confident131 Ų13181.6 Ų81.679%0.79442%0.416SS*.THydrogen-bonded Turntrans-73.2-42.7-179.2179.40000110D348D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact OD1-N 3.04Å
351N86.4Confident84.6Confident103 Ų10382.1 Ų82.155%0.55142%0.416SS*.THydrogen-bonded Turntrans-93.1-4.2179.1-63.7-51.9000113.2D348 I353D348-N351 PolarHBondContact OD1-N 3.47Å; D348-N351 PolarHBondContact OD2-ND2 3Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 4.13Å; N351-I353 WeakPolarHBondContact O-CG1 3.39Å; N351-I353 PolarHBondContact O-N 2.91Å
352E89.8Confident84.6Confident105 Ų10588.1 Ų88.149%0.49143%0.43SS..THydrogen-bonded Turntrans5537.7-173.8-58.7-172.3164.200113.6T315 L316 D348T315-E352 CarbonylContact C-O 3.5Å; T315-E352 VanDerWaalsContact CA-O 3.29Å; T315-E352 WeakPolarHBondContact CA-O 3.43Å; L316-E352 HydrophobicContact CB-CB 4.33Å; L316-E352 HydrophobicContact CD1-CB 4.27Å; L316-E352 PolarHBondContact N-O 3.22Å; D348-E352 CarbonylContact O-C 3.57Å; D348-E352 VanDerWaalsContact O-CA 3.29Å; D348-E352 WeakPolarHBondContact O-CA 3.43Å; D348-E352 PolarHBondContact O-N 3.46Å
353I91.4Very high84.4Confident56 Ų5685.8 Ų85.829%0.28743%0.427SS..EExtended strand (participates in β ladder)trans-111.4135.2-178.3-62.8167.8000109.8L314 D348 N351 E355L314-I353 CarbonylContact O-C 3.5Å; L314-I353 WeakPolarHBondContact O-CA 3.44Å; D348-I353 PolarHBondContact N-O 2.96Å; D348-I353 PolarHBondContact O-N 3.02Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 4.13Å; N351-I353 WeakPolarHBondContact O-CG1 3.39Å; N351-I353 PolarHBondContact O-N 2.91Å; I353-E355 HydrophobicContact CG2-CG 4.08Å
354V90.1Very high84Confident0 Ų091.7 Ų91.70%045%0.449CS..EExtended strand (participates in β ladder)trans-103.2115.9167.6-175.60000108.2L308 S313 L314 L316 L334 C345 K346 I347L308-V354 HydrophobicContact CD2-CG1 3.99Å; S313-V354 WeakPolarHBondContact CA-O 2.94Å; L314-V354 HydrophobicContact CD1-CB 4.11Å; L314-V354 HydrophobicContact CD1-CG2 4.43Å; L314-V354 HydrophobicContact CG-CB 4.02Å; L314-V354 PolarHBondContact N-O 3.33Å; L314-V354 PolarHBondContact O-N 3.46Å; L316-V354 HydrophobicContact CD2-CG2 3.37Å; L316-V354 HydrophobicContact CG-CG2 3.9Å; L334-V354 HydrophobicContact CD1-CG2 4.31Å; C345-V354 HydrophobicContact CB-CG1 3.81Å; K346-V354 WeakPolarHBondContact O-CA 3.33Å; I347-V354 HydrophobicContact CG1-CG2 4.37Å
355E89Confident84Confident116 Ų11692.3 Ų92.354%0.54245%0.452SS..EExtended strand (participates in β ladder)trans-97.7130.1174.5-67-169.4158.900110.1C345 K346 I353C345-E355 CarbonylContact C-O 3.59Å; C345-E355 VanDerWaalsContact CA-O 3.24Å; C345-E355 WeakPolarHBondContact CA-O 3.26Å; C345-E355 WeakPolarHBondContact CB-O 3.47Å; K346-E355 PolarHBondContact N-O 3.45Å; K346-E355 PolarHBondContact O-N 2.79Å; I353-E355 HydrophobicContact CG2-CG 4.08Å
356T86.6Confident84Confident27 Ų2799.4 Ų99.417%0.16648%0.48CS..EExtended strand (participates in β ladder)trans-88.2129.8176.159.30000109.9L308 Y311 R312 L314 C345L308-T356 HydrophobicContact CB-CG2 3.8Å; L308-T356 HydrophobicContact CD2-CG2 3.92Å; L308-T356 HydrophobicContact CG-CG2 4.36Å; L308-T356 WeakPolarHBondContact O-CG2 2.99Å; Y311-T356 WeakPolarHBondContact O-CG2 3.44Å; Y311-T356 PolarHBondContact O-OG1 3.17Å; R312-T356 WeakPolarHBondContact CA-OG1 3.44Å; R312-T356 PolarHBondContact O-N 2.96Å; R312-T356 PolarHBondContact O-OG1 2.9Å; R312-T356 VanDerWaalsContact O-OG1 3.04Å; L314-T356 HydrophobicContact CD2-CG2 4.47Å; C345-T356 HydrophobicContact CB-CG2 4.39Å
357N81.2Confident83.8Confident91 Ų9197.6 Ų97.649%0.48747%0.473SS..PPolyproline II helixtrans-101.2122.8171.6-172.27.5000107.2H344 P359H344-N357 VanDerWaalsContact CB-O 3.28Å; H344-N357 WeakPolarHBondContact CB-O 3.35Å; H344-N357 PolarHBondContact O-N 3.22Å; N357-P359 WeakPolarHBondContact O-CD 3.25Å
358R71.2Confident83.6Confident182 Ų18298.5 Ų98.569%0.68748%0.477SS*.  trans-92.197.7174.9-68.2-178.3177.9178.7-3.7107.6E309 D360E309-R358 PolarHBondContact O-NH2 3.05Å; R358-D360 PolarHBondContact O-N 3.38Å
359P65.5Low83.6Confident48 Ų4899.9 Ų99.931%0.31249%0.487SS..  trans-65137.4175.828.1-34.6000109.4H344 N357 S361H344-P359 HydrophobicContact CB-CG 4.22Å; N357-P359 WeakPolarHBondContact O-CD 3.25Å; P359-S361 PolarHBondContact O-N 3.06Å
360D71.4Confident83.8Confident130 Ų13096.8 Ų96.870%0.69548%0.477SS*.  trans-57.4137.2171.2-80.9-39.1000110.5R358 K362 N363 W364R358-D360 PolarHBondContact O-N 3.38Å; D360-K362 PolarHBondContact O-N 3.34Å; D360-K362 VanDerWaalsContact O-N 3.09Å; D360-N363 WeakPolarHBondContact O-CB 3.47Å; D360-N363 PolarHBondContact O-N 3.26Å; D360-W364 PolarHBondContact O-N 3.01Å
361S78.6Confident83.9Confident79 Ų7997.6 Ų97.655%0.55247%0.469SS*.Hα-helixtrans-50.4-38.2178.6179.70000112.4P359 N363 W364 Q365P359-S361 PolarHBondContact O-N 3.06Å; S361-N363 PolarHBondContact O-N 2.94Å; S361-W364 PolarHBondContact O-N 3.48Å; S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.24Å
362K83.9Confident84.1Confident169 Ų16998.8 Ų98.874%0.73547%0.47SS*.Hα-helixtrans-63.9-38.7177-69.9-173.2178.2-179.30113.2D360 Q365 Y366D360-K362 PolarHBondContact O-N 3.34Å; D360-K362 VanDerWaalsContact O-N 3.09Å; K362-Q365 PolarHBondContact O-N 3.26Å; K362-Y366 WeakPolarHBondContact O-CB 3.42Å; K362-Y366 PolarHBondContact O-N 2.88Å
363N82.6Confident84.3Confident82 Ų8295.1 Ų95.144%0.43946%0.46SS..Hα-helixtrans-68.9-39.6-179.7-169.727.4000110.9D360 S361 Y366 Q367D360-N363 WeakPolarHBondContact O-CB 3.47Å; D360-N363 PolarHBondContact O-N 3.26Å; S361-N363 PolarHBondContact O-N 2.94Å; N363-Y366 PolarHBondContact O-N 3.2Å; N363-Q367 PolarHBondContact O-N 2.91Å
364W78.6Confident84.4Confident130 Ų13096.5 Ų96.549%0.49247%0.468SS..Hα-helixtrans-63.3-49173.717983.3000111.9D360 S361 Y366 Q367 E368D360-W364 PolarHBondContact O-N 3.01Å; S361-W364 PolarHBondContact O-N 3.48Å; W364-Y366 VanDerWaalsContact C-N 3.31Å; W364-Y366 PolarHBondContact O-N 3.25Å; W364-Q367 PolarHBondContact O-N 3.31Å; W364-E368 WeakPolarHBondContact CH2-OE2 3.34Å; W364-E368 WeakPolarHBondContact CZ3-OE2 3.44Å; W364-E368 PolarHBondContact O-N 3.37Å
365Q85.3Confident84.5Confident100 Ų100101.6 Ų101.647%0.46749%0.494SS..Hα-helixtrans-60.2-40.6176.8-72176.8-3.700112.2S361 K362 E368 T369S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.24Å; K362-Q365 PolarHBondContact O-N 3.26Å; Q365-E368 PolarHBondContact O-N 3.38Å; Q365-T369 WeakPolarHBondContact O-CB 3.4Å; Q365-T369 PolarHBondContact O-N 3.39Å; Q365-T369 PolarHBondContact O-OG1 3.07Å
366Y87.7Confident84.8Confident154 Ų154101.3 Ų101.360%0.60450%0.496SS*.Hα-helixtrans-61.9-50.3176.8178.3-106.1000111.4K362 N363 W364 E368 T369 I370K362-Y366 WeakPolarHBondContact O-CB 3.42Å; K362-Y366 PolarHBondContact O-N 2.88Å; N363-Y366 PolarHBondContact O-N 3.2Å; W364-Y366 VanDerWaalsContact C-N 3.31Å; W364-Y366 PolarHBondContact O-N 3.25Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.5Å; Y366-T369 PolarHBondContact O-N 3.44Å; Y366-I370 HydrophobicContact CE1-CG1 4.3Å; Y366-I370 HydrophobicContact CE2-CD1 4.33Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.46Å; Y366-I370 PolarHBondContact O-N 3.1Å
367Q84.4Confident85.2Confident97 Ų97105.4 Ų105.445%0.45352%0.517SS..Hα-helixtrans-61.1-39.8176.3-77.7-173-10.800112.8N363 W364 T369 K371N363-Q367 PolarHBondContact O-N 2.91Å; W364-Q367 PolarHBondContact O-N 3.31Å; Q367-T369 VanDerWaalsContact C-N 3.34Å; Q367-K371 WeakPolarHBondContact O-CG 3.39Å; Q367-K371 PolarHBondContact O-N 3.33Å; Q367-K371 VanDerWaalsContact O-N 3.09Å
368E85.4Confident85.8Confident63 Ų63106 Ų10629%0.29452%0.519SS..Hα-helixtrans-64.3-41.6176.8-168.1-176.8-173.400111.4W364 Q365 Y366 K371 K372W364-E368 WeakPolarHBondContact CH2-OE2 3.34Å; W364-E368 WeakPolarHBondContact CZ3-OE2 3.44Å; W364-E368 PolarHBondContact O-N 3.37Å; Q365-E368 PolarHBondContact O-N 3.38Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.5Å; E368-K371 PolarHBondContact O-N 3.37Å; E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 PolarHBondContact O-N 2.77Å; E368-K372 WeakPolarHBondContact OE1-CE 3.39Å; E368-K372 IonicContact OE1-NZ 3.97Å; E368-K372 PolarHBondContact OE1-NZ 3.18Å
369T91.4Very high86.8Confident93 Ų93105 Ų10557%0.57152%0.516SS*.Hα-helixtrans-62.8-44.7178.6-56.90000111.2Q365 Y366 Q367 K372 G373Q365-T369 WeakPolarHBondContact O-CB 3.4Å; Q365-T369 PolarHBondContact O-N 3.39Å; Q365-T369 PolarHBondContact O-OG1 3.07Å; Y366-T369 PolarHBondContact O-N 3.44Å; Q367-T369 VanDerWaalsContact C-N 3.34Å; T369-K372 PolarHBondContact O-N 3.05Å; T369-G373 PolarHBondContact O-N 3.44Å
370I92.3Very high88.2Confident77 Ų77106.4 Ų106.440%0.39552%0.523SS..Hα-helixtrans-60.4-48.4175.2-64.8-57.9000110.9Y366 K372 G373 D374Y366-I370 HydrophobicContact CE1-CG1 4.3Å; Y366-I370 HydrophobicContact CE2-CD1 4.33Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.46Å; Y366-I370 PolarHBondContact O-N 3.1Å; I370-K372 PolarHBondContact O-N 3.24Å; I370-G373 PolarHBondContact O-N 3.38Å; I370-D374 PolarHBondContact O-N 2.88Å
371K89.1Confident89.2Confident147 Ų147104.7 Ų104.764%0.63951%0.511SS*.Hα-helixtrans-59.7-44.6179.7-74176.1-179.1176.30112.9Q367 E368 L375Q367-K371 WeakPolarHBondContact O-CG 3.39Å; Q367-K371 PolarHBondContact O-N 3.33Å; Q367-K371 VanDerWaalsContact O-N 3.09Å; E368-K371 PolarHBondContact O-N 3.37Å; K371-L375 PolarHBondContact O-N 3.36Å
372K90.5Very high89.9Confident129 Ų129108.4 Ų108.456%0.56152%0.518SS*.Hα-helixtrans-69.2-37.7176.9-71.9-176.6-176.2167.40111.6E368 T369 I370 L375 L376E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 PolarHBondContact O-N 2.77Å; E368-K372 WeakPolarHBondContact OE1-CE 3.39Å; E368-K372 IonicContact OE1-NZ 3.97Å; E368-K372 PolarHBondContact OE1-NZ 3.18Å; T369-K372 PolarHBondContact O-N 3.05Å; I370-K372 PolarHBondContact O-N 3.24Å; K372-L375 PolarHBondContact O-N 3.02Å; K372-L376 PolarHBondContact O-N 2.74Å
373G94.6Very high90.4Very high27 Ų27105 Ų10528%0.27851%0.507SS..Hα-helixtrans-59.6-49.5175.400000112.1T369 I370 L375 L376 L377T369-G373 PolarHBondContact O-N 3.44Å; I370-G373 PolarHBondContact O-N 3.38Å; G373-L375 VanDerWaalsContact C-N 3.35Å; G373-L375 PolarHBondContact O-N 2.67Å; G373-L376 PolarHBondContact O-N 3.4Å; G373-L377 WeakPolarHBondContact O-CB 3.45Å; G373-L377 WeakPolarHBondContact O-CG 3.29Å; G373-L377 PolarHBondContact O-N 2.93Å
374D93.3Very high90.9Very high86 Ų86103.4 Ų103.446%0.4650%0.502SS..Hα-helixtrans-61.2-42178.4-72.7-17000112I370 L376 L377 N378I370-D374 PolarHBondContact O-N 2.88Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 3.38Å; D374-L377 PolarHBondContact O-N 2.9Å; D374-N378 WeakPolarHBondContact O-CB 3.44Å; D374-N378 VanDerWaalsContact O-CG 3.24Å; D374-N378 PolarHBondContact O-N 2.96Å; D374-N378 PolarHBondContact O-ND2 3.28Å
375L92.6Very high91.5Very high106 Ų106104.7 Ų104.756%0.55551%0.507SS*.Hα-helixtrans-61.5-43.1176.3-17865.4000111.8K371 K372 G373 R379K371-L375 PolarHBondContact O-N 3.36Å; K372-L375 PolarHBondContact O-N 3.02Å; G373-L375 VanDerWaalsContact C-N 3.35Å; G373-L375 PolarHBondContact O-N 2.67Å; L375-R379 PolarHBondContact O-N 3.06Å
376L94.3Very high91.9Very high110 Ų110104.5 Ų104.558%0.57651%0.512SS*.Hα-helixtrans-65.9-48.3177.9179.462.9000111.1K372 G373 D374 N378 R379 V380K372-L376 PolarHBondContact O-N 2.74Å; G373-L376 PolarHBondContact O-N 3.4Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 3.38Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.48Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-R379 VanDerWaalsContact O-N 3.09Å; L376-V380 HydrophobicContact CD1-CG2 4.14Å; L376-V380 HydrophobicContact CG-CG2 4.34Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 3.12Å
377L94.9Very high92.1Very high114 Ų114103.1 Ų103.160%0.59751%0.514SS*.Hα-helixtrans-57.8-44.4178.9-74.4174.2000111.5G373 D374 R379 V380 Q381G373-L377 WeakPolarHBondContact O-CB 3.45Å; G373-L377 WeakPolarHBondContact O-CG 3.29Å; G373-L377 PolarHBondContact O-N 2.93Å; D374-L377 PolarHBondContact O-N 2.9Å; L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 3.31Å; L377-V380 PolarHBondContact O-N 3.5Å; L377-Q381 WeakPolarHBondContact O-CB 3.35Å; L377-Q381 PolarHBondContact O-N 2.91Å
378N93.9Very high92.1Very high102 Ų102105.2 Ų105.255%0.54553%0.528SS..Hα-helixtrans-60.5-40.6175.9-76.1-36.7000112.3D374 L376 K382D374-N378 WeakPolarHBondContact O-CB 3.44Å; D374-N378 VanDerWaalsContact O-CG 3.24Å; D374-N378 PolarHBondContact O-N 2.96Å; D374-N378 PolarHBondContact O-ND2 3.28Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.48Å; N378-K382 PolarHBondContact O-N 3.11Å; N378-K382 VanDerWaalsContact O-N 3.08Å
379R92.8Very high91.2Very high161 Ų161112.1 Ų112.161%0.60856%0.563SS**Hα-helixtrans-68.5-43.9178.1-169.9175.6-68.9171-2111.7L375 L376 L377 K382 L383L375-R379 PolarHBondContact O-N 3.06Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-R379 VanDerWaalsContact O-N 3.09Å; L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 3.31Å; R379-K382 PolarHBondContact O-N 3.45Å; R379-L383 HydrophobicContact CG-CD1 4.28Å; R379-L383 PolarHBondContact O-N 2.65Å
380V94.1Very high91.1Very high78 Ų78113.1 Ų113.147%0.47356%0.563SS.*Hα-helixtrans-63.4-42.4176.8173.20000110.9L376 L377 K382 L383 S384L376-V380 HydrophobicContact CD1-CG2 4.14Å; L376-V380 HydrophobicContact CG-CG2 4.34Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 3.12Å; L377-V380 PolarHBondContact O-N 3.5Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 3.22Å; V380-L383 WeakPolarHBondContact O-CB 3.45Å; V380-L383 PolarHBondContact O-N 3.39Å; V380-S384 PolarHBondContact O-N 2.84Å; V380-S384 PolarHBondContact O-OG 3.49Å
381Q93.4Very high91.1Very high95 Ų95114.9 Ų114.944%0.44457%0.571SS.*Hα-helixtrans-63.7-36.9177-169.2-177.722.400112.2L377 S384 R385L377-Q381 WeakPolarHBondContact O-CB 3.35Å; L377-Q381 PolarHBondContact O-N 2.91Å; Q381-S384 PolarHBondContact O-OG 3.48Å; Q381-R385 WeakPolarHBondContact O-CG 3.46Å; Q381-R385 PolarHBondContact O-N 3.23Å
382K93.3Very high91.2Very high157 Ų157113.2 Ų113.268%0.68357%0.568SS**Hα-helixtrans-68-41.8174.8-166.4174.8-178.9178.80111.5N378 R379 V380 R385 V386N378-K382 PolarHBondContact O-N 3.11Å; N378-K382 VanDerWaalsContact O-N 3.08Å; R379-K382 PolarHBondContact O-N 3.45Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 3.22Å; K382-R385 PolarHBondContact O-N 3.34Å; K382-V386 WeakPolarHBondContact O-CG2 3.32Å; K382-V386 PolarHBondContact O-N 3.4Å
383L94.1Very high91.2Very high98 Ų98112.2 Ų112.251%0.51357%0.568SS.*Hα-helixtrans-61.6-46.4174.8-90.2153.1000112.1R379 V380 R385 V386 I387R379-L383 HydrophobicContact CG-CD1 4.28Å; R379-L383 PolarHBondContact O-N 2.65Å; V380-L383 WeakPolarHBondContact O-CB 3.45Å; V380-L383 PolarHBondContact O-N 3.39Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 2.69Å; L383-V386 PolarHBondContact O-N 2.86Å; L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.03Å
384S93.6Very high91Very high48 Ų48117.6 Ų117.634%0.33659%0.586SS.*Hα-helixtrans-63-35.6-17967.90000112.6V380 Q381 V386 I387 N388V380-S384 PolarHBondContact O-N 2.84Å; V380-S384 PolarHBondContact O-OG 3.49Å; Q381-S384 PolarHBondContact O-OG 3.48Å; S384-V386 VanDerWaalsContact C-N 3.33Å; S384-V386 PolarHBondContact O-N 3.25Å; S384-I387 PolarHBondContact O-N 3.44Å; S384-N388 VanDerWaalsContact O-CB 3.25Å; S384-N388 WeakPolarHBondContact O-CB 3.42Å; S384-N388 PolarHBondContact O-N 3.11Å; S384-N388 PolarHBondContact O-ND2 3.31Å
385R91Very high90.9Very high156 Ų156119.7 Ų119.759%0.58960%0.595SS**Hα-helixtrans-65.6-33.6173.4-71.8178.3-175.1-176.14.3113.4Q381 K382 L383 M389Q381-R385 WeakPolarHBondContact O-CG 3.46Å; Q381-R385 PolarHBondContact O-N 3.23Å; K382-R385 PolarHBondContact O-N 3.34Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 2.69Å; R385-M389 PolarHBondContact O-N 3.17Å
386V93.7Very high90.8Very high97 Ų97120.6 Ų120.659%0.58860%0.597SS**Hα-helixtrans-76.9-33.8177.6174.10000111.3K382 L383 S384K382-V386 WeakPolarHBondContact O-CG2 3.32Å; K382-V386 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 2.86Å; S384-V386 VanDerWaalsContact C-N 3.33Å; S384-V386 PolarHBondContact O-N 3.25Å
387I91.5Very high90.5Very high125 Ų125121.5 Ų121.564%0.64160%0.599SS**Hα-helixtrans-77.3-32.2179.2-65.2165.5000111.8L383 S384L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.03Å; S384-I387 PolarHBondContact O-N 3.44Å
388N84.2Confident90.1Very high140 Ų140122.1 Ų122.175%0.74960%0.599SS**  trans-85.5-11-179.3-70.2-21.8000114.1S384S384-N388 VanDerWaalsContact O-CB 3.25Å; S384-N388 WeakPolarHBondContact O-CB 3.42Å; S384-N388 PolarHBondContact O-N 3.11Å; S384-N388 PolarHBondContact O-ND2 3.31Å
389M65.9Low89.8Confident208 Ų208123.9 Ų123.9100%1.02560%0.604SS**  trans-88.60165.7-83.9-165.7-8200109.1R385R385-M389 PolarHBondContact O-N 3.17Å

Retrieved 389 of 389 residues in 1237.4 ms (Link to these results)