A0A087XTJ9_POEFO Loading...

Alpha kinase 1

AlphaFold DB , UniProt , Accession A0A087XTJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,092 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
1F38.5Very low71.9Confident157 Ų15757.7 Ų57.769%0.68929%0.285SS*.  0-79.50-160.5-105.6000110.3R3 M4 E5F1-R3 VanDerWaalsContact C-N 3.34Å; F1-R3 PolarHBondContact O-N 3.44Å; F1-M4 PolarHBondContact O-N 3.04Å; F1-E5 WeakPolarHBondContact CD1-OE2 3.49Å; F1-E5 VanDerWaalsContact CE1-CD 3.42Å; F1-E5 VanDerWaalsContact CE1-OE1 3.27Å; F1-E5 WeakPolarHBondContact CE1-OE1 3.41Å; F1-E5 WeakPolarHBondContact CE1-OE2 3.36Å; F1-E5 PolarHBondContact O-N 3.3Å
2L51.5Low73.5Confident32 Ų3259.1 Ų59.117%0.16829%0.294CS..Hα-helixtrans-39.9-47.2-172.7-155.282.7000116.3M4 E5 V6 F115L2-M4 PolarHBondContact O-N 3.39Å; L2-E5 PolarHBondContact O-N 3Å; L2-V6 HydrophobicContact CG-CG2 4.22Å; L2-V6 VanDerWaalsContact O-CB 3.27Å; L2-V6 WeakPolarHBondContact O-CB 3.35Å; L2-V6 VanDerWaalsContact O-CG2 3.23Å; L2-V6 WeakPolarHBondContact O-CG2 3.38Å; L2-V6 PolarHBondContact O-N 3.34Å; L2-F115 HydrophobicContact CD2-CE1 3.96Å; L2-F115 HydrophobicContact CD2-CZ 4Å
3R49.2Very low75.1Confident90 Ų9054.6 Ų54.634%0.3427%0.272SS..Hα-helixtrans-61.7-38.4-178.6-171.2177.4175.3166.58.3113.6F1 G7 I119 D120 E121F1-R3 VanDerWaalsContact C-N 3.34Å; F1-R3 PolarHBondContact O-N 3.44Å; R3-G7 PolarHBondContact O-N 2.91Å; R3-I119 WeakPolarHBondContact CD-O 3.21Å; R3-I119 PolarHBondContact NE-O 2.7Å; R3-D120 IonicContact CZ-OD2 2.6Å; R3-D120 IonicContact NH1-OD2 3.69Å; R3-D120 PolarHBondContact NH1-OD2 3.31Å; R3-D120 VanDerWaalsContact NH1-OD2 3.11Å; R3-D120 PolarHBondContact NH2-O 3.31Å; R3-D120 IonicContact NH2-OD2 2.65Å; R3-D120 PolarHBondContact NH2-OD2 3.05Å; R3-E121 HydrophobicContact CG-CG 4.15Å; R3-E121 WeakPolarHBondContact CG-OE1 3.3Å; R3-E121 IonicContact CZ-OE1 3.95Å; R3-E121 IonicContact NE-OE1 2.64Å; R3-E121 PolarHBondContact NE-OE1 2.75Å; R3-E121 IonicContact NH2-OE1 2.73Å; R3-E121 PolarHBondContact NH2-OE1 2.78Å
4M57.3Low76.5Confident150 Ų15051 Ų5174%0.73925%0.254SS*.Hα-helixtrans-75.1-40.8-179.8-69.1177.767.100111.8F1 L2 G7 G8F1-M4 PolarHBondContact O-N 3.04Å; L2-M4 PolarHBondContact O-N 3.39Å; M4-G7 PolarHBondContact O-N 3.4Å; M4-G8 PolarHBondContact O-N 2.95Å
5E73.2Confident77.6Confident80 Ų8051.4 Ų51.437%0.37426%0.263SS..Hα-helixtrans-61.4-51.5176.1-174.2173.8-135.900110.8F1 L2 G7 G8 L9F1-E5 WeakPolarHBondContact CD1-OE2 3.49Å; F1-E5 VanDerWaalsContact CE1-CD 3.42Å; F1-E5 VanDerWaalsContact CE1-OE1 3.27Å; F1-E5 WeakPolarHBondContact CE1-OE1 3.41Å; F1-E5 WeakPolarHBondContact CE1-OE2 3.36Å; F1-E5 PolarHBondContact O-N 3.3Å; L2-E5 PolarHBondContact O-N 3Å; E5-G7 PolarHBondContact O-N 3.17Å; E5-G8 PolarHBondContact O-N 3.38Å; E5-L9 HydrophobicContact CG-CD1 4.37Å; E5-L9 WeakPolarHBondContact O-CG 3.4Å; E5-L9 PolarHBondContact O-N 3.29Å
6V80.8Confident78.4Confident5 Ų549.1 Ų49.13%0.0325%0.254CS..Hα-helixtrans-63.5-38.4174.2171.70000112.2L2 G8 L9 L10 L86 L90 L116 I119L2-V6 HydrophobicContact CG-CG2 4.22Å; L2-V6 VanDerWaalsContact O-CB 3.27Å; L2-V6 WeakPolarHBondContact O-CB 3.35Å; L2-V6 VanDerWaalsContact O-CG2 3.23Å; L2-V6 WeakPolarHBondContact O-CG2 3.38Å; L2-V6 PolarHBondContact O-N 3.34Å; V6-G8 VanDerWaalsContact C-N 3.33Å; V6-G8 PolarHBondContact O-N 3.43Å; V6-L9 PolarHBondContact O-N 3.25Å; V6-L10 HydrophobicContact CG1-CD1 3.74Å; V6-L10 HydrophobicContact CG1-CG 4.24Å; V6-L10 WeakPolarHBondContact O-CB 3.01Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.16Å; V6-L86 HydrophobicContact CG1-CD2 4.39Å; V6-L86 HydrophobicContact CG2-CD2 3.51Å; V6-L86 HydrophobicContact CG2-CG 4.28Å; V6-L90 HydrophobicContact CB-CD1 4.32Å; V6-L90 HydrophobicContact CG1-CD1 3.86Å; V6-L90 HydrophobicContact CG2-CD1 4.08Å; V6-L116 HydrophobicContact CG1-CD2 3.56Å; V6-I119 HydrophobicContact CB-CD1 4.14Å; V6-I119 HydrophobicContact CG1-CD1 3.77Å; V6-I119 HydrophobicContact CG2-CD1 4.46Å
7G80.4Confident79.2Confident0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-61-40.2175.500000112.6R3 M4 E5 E11 R124R3-G7 PolarHBondContact O-N 2.91Å; M4-G7 PolarHBondContact O-N 3.4Å; E5-G7 PolarHBondContact O-N 3.17Å; G7-E11 PolarHBondContact O-N 3.43Å; G7-E11 VanDerWaalsContact O-N 3.07Å; G7-R124 PolarHBondContact O-NH1 2.97Å
8G86.1Confident79.9Confident37 Ų3751.8 Ų51.838%0.38126%0.257SS..Hα-helixtrans-65.3-49.1172.500000112.4M4 E5 V6 L10 E11 D12M4-G8 PolarHBondContact O-N 2.95Å; E5-G8 PolarHBondContact O-N 3.38Å; V6-G8 VanDerWaalsContact C-N 3.33Å; V6-G8 PolarHBondContact O-N 3.43Å; G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 3.09Å; G8-E11 PolarHBondContact O-N 3.43Å; G8-D12 PolarHBondContact O-N 3.02Å
9L88.3Confident80.3Confident30 Ų3055.4 Ų55.416%0.15727%0.274CS..Hα-helixtrans-61-33178.1-68161.3000113.1E5 V6 D12 C13 L90E5-L9 HydrophobicContact CG-CD1 4.37Å; E5-L9 WeakPolarHBondContact O-CG 3.4Å; E5-L9 PolarHBondContact O-N 3.29Å; V6-L9 PolarHBondContact O-N 3.25Å; L9-D12 WeakPolarHBondContact O-CB 3.46Å; L9-C13 PolarHBondContact O-N 3.39Å; L9-C13 PolarHBondContact O-SG 2.92Å; L9-L90 HydrophobicContact CB-CB 4.45Å; L9-L90 HydrophobicContact CB-CD1 4.1Å; L9-L90 HydrophobicContact CD1-CD1 4.17Å
10L92.4Very high80.2Confident0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-75.3-30.8173-73.6169.9000112.8V6 G8 C13 L14 L90 L116 E121 R124 L125 I128V6-L10 HydrophobicContact CG1-CD1 3.74Å; V6-L10 HydrophobicContact CG1-CG 4.24Å; V6-L10 WeakPolarHBondContact O-CB 3.01Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.49Å; V6-L10 PolarHBondContact O-N 3.16Å; G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 3.09Å; L10-C13 PolarHBondContact O-N 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.47Å; L10-L14 PolarHBondContact O-N 2.72Å; L10-L90 HydrophobicContact CD2-CD2 3.74Å; L10-L90 HydrophobicContact CG-CD2 4.25Å; L10-L116 HydrophobicContact CD1-CD1 4.04Å; L10-L116 HydrophobicContact CD1-CD2 4.09Å; L10-L116 HydrophobicContact CD2-CD1 4.05Å; L10-E121 HydrophobicContact CD1-CB 3.8Å; L10-R124 HydrophobicContact CB-CB 4Å; L10-R124 HydrophobicContact CD1-CB 4.3Å; L10-L125 HydrophobicContact CD2-CD1 4.43Å; L10-I128 HydrophobicContact CD2-CD1 4.03Å
11E92.6Very high80.3Confident54 Ų5457.8 Ų57.825%0.25229%0.287SS..Hα-helixtrans-72.1-35.6172.2-152.364.7-140.500111.4G7 G8 L14 S15 R18 R124G7-E11 PolarHBondContact O-N 3.43Å; G7-E11 VanDerWaalsContact O-N 3.07Å; G8-E11 PolarHBondContact O-N 3.43Å; E11-L14 CarbonylContact O-C 3.55Å; E11-L14 PolarHBondContact O-N 3.11Å; E11-L14 WeakPolarHBondContact OE1-CD2 3.47Å; E11-S15 WeakPolarHBondContact O-CB 3.37Å; E11-S15 PolarHBondContact O-N 3.28Å; E11-S15 PolarHBondContact O-OG 3.15Å; E11-R18 IonicContact OE1-NH2 3.25Å; E11-R18 PolarHBondContact OE1-NH2 3.03Å; E11-R124 IonicContact OE2-CZ 3.82Å; E11-R124 IonicContact OE2-NH1 3.09Å; E11-R124 PolarHBondContact OE2-NH1 3.36Å
12D91.9Very high81.9Confident74 Ų7453.2 Ų53.240%0.39628%0.284SS..Hα-helixtrans-57.3-48.4167.5-9618.3000112.1G8 L9 L14 S15 A16 K94G8-D12 PolarHBondContact O-N 3.02Å; L9-D12 WeakPolarHBondContact O-CB 3.46Å; D12-L14 VanDerWaalsContact C-N 3.35Å; D12-S15 PolarHBondContact O-N 2.64Å; D12-A16 PolarHBondContact O-N 3.13Å; D12-A16 VanDerWaalsContact O-N 3.13Å; D12-K94 HydrophobicContact CB-CD 4.11Å; D12-K94 VanDerWaalsContact CG-NZ 3.27Å; D12-K94 IonicContact OD2-NZ 3.25Å; D12-K94 PolarHBondContact OD2-NZ 2.85Å
13C94.5Very high82.8Confident1 Ų155.5 Ų55.51%0.00730%0.303CS..Hα-helixtrans-64.6-38.9174.7-66.60000111.9L9 L10 S15 A17 L93 I97 I128L9-C13 PolarHBondContact O-N 3.39Å; L9-C13 PolarHBondContact O-SG 2.92Å; L10-C13 PolarHBondContact O-N 3.29Å; C13-S15 VanDerWaalsContact C-N 3.29Å; C13-S15 PolarHBondContact O-N 2.53Å; C13-A17 WeakPolarHBondContact O-CB 3.32Å; C13-A17 PolarHBondContact O-N 2.73Å; C13-L93 HydrophobicContact CB-CD2 4.46Å; C13-I97 HydrophobicContact CB-CD1 4.13Å; C13-I128 HydrophobicContact CB-CD1 3.72Å
14L94.1Very high83.8Confident4 Ų455.9 Ų55.92%0.02132%0.315CS..Hα-helixtrans-70-25.6177.2-178.957.3000112.6L10 E11 D12 R18 K127 I128 L131L10-L14 WeakPolarHBondContact O-CB 3.47Å; L10-L14 PolarHBondContact O-N 2.72Å; E11-L14 CarbonylContact O-C 3.55Å; E11-L14 PolarHBondContact O-N 3.11Å; E11-L14 WeakPolarHBondContact OE1-CD2 3.47Å; D12-L14 VanDerWaalsContact C-N 3.35Å; L14-R18 WeakPolarHBondContact O-CG 3.23Å; L14-R18 PolarHBondContact O-NE 3.06Å; L14-K127 HydrophobicContact CD1-CB 3.75Å; L14-K127 HydrophobicContact CD2-CB 3.95Å; L14-K127 HydrophobicContact CD2-CD 3.63Å; L14-K127 HydrophobicContact CD2-CG 4.48Å; L14-I128 HydrophobicContact CB-CD1 4.34Å; L14-I128 HydrophobicContact CB-CG1 3.79Å; L14-I128 HydrophobicContact CD1-CG1 3.92Å; L14-I128 HydrophobicContact CG-CG1 4.42Å; L14-L131 HydrophobicContact CD1-CD1 3.61Å
15S92.7Very high84.7Confident57 Ų5757.6 Ų57.640%0.39932%0.321SS..Hα-helixtrans-74.8-49.7174.7-58.30000110E11 D12 C13 A17 R18E11-S15 WeakPolarHBondContact O-CB 3.37Å; E11-S15 PolarHBondContact O-N 3.28Å; E11-S15 PolarHBondContact O-OG 3.15Å; D12-S15 PolarHBondContact O-N 2.64Å; C13-S15 VanDerWaalsContact C-N 3.29Å; C13-S15 PolarHBondContact O-N 2.53Å; S15-A17 VanDerWaalsContact C-N 3.25Å; S15-A17 PolarHBondContact O-N 3.23Å; S15-R18 WeakPolarHBondContact O-CB 3.37Å; S15-R18 PolarHBondContact O-N 2.91Å
16A90.8Very high85.2Confident14 Ų1455.8 Ų55.812%0.11631%0.313CS..Hα-helixtrans-57.9-35.2173.400000112.9D12 R18 E19 I97 M98D12-A16 PolarHBondContact O-N 3.13Å; D12-A16 VanDerWaalsContact O-N 3.13Å; A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.46Å; A16-E19 PolarHBondContact O-N 3Å; A16-I97 HydrophobicContact CB-CG2 3.86Å; A16-M98 HydrophobicContact CB-CG 4.04Å
17A92.3Very high85.5Confident2 Ų258 Ų582%0.01733%0.329CS..THydrogen-bonded Turntrans-74.5-7.8178.100000114.9C13 S15 I97 I128 L131 W135C13-A17 WeakPolarHBondContact O-CB 3.32Å; C13-A17 PolarHBondContact O-N 2.73Å; S15-A17 VanDerWaalsContact C-N 3.25Å; S15-A17 PolarHBondContact O-N 3.23Å; A17-I97 HydrophobicContact CB-CG2 4.16Å; A17-I128 HydrophobicContact CB-CG2 4.12Å; A17-L131 HydrophobicContact CB-CB 4.29Å; A17-L131 HydrophobicContact CB-CD1 4.06Å; A17-L131 WeakPolarHBondContact O-CD1 3.37Å; A17-W135 PolarHBondContact O-NE1 2.93Å
18R92.1Very high85.8Confident145 Ų14563.7 Ų63.755%0.54736%0.36SS..THydrogen-bonded Turntrans-84-22.5173.4-69.7169.7-151.4-164.39.8112.7E11 L14 S15 A16 L131E11-R18 IonicContact OE1-NH2 3.25Å; E11-R18 PolarHBondContact OE1-NH2 3.03Å; L14-R18 WeakPolarHBondContact O-CG 3.23Å; L14-R18 PolarHBondContact O-NE 3.06Å; S15-R18 WeakPolarHBondContact O-CB 3.37Å; S15-R18 PolarHBondContact O-N 2.91Å; A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.46Å; R18-L131 HydrophobicContact CG-CD1 3.86Å
19E86.1Confident86Confident121 Ų12166 Ų6657%0.56537%0.37SS*.SBendtrans-64.3138176.6-63.8173.9-160.500110.1A16A16-E19 PolarHBondContact O-N 3Å
20E80.2Confident86Confident119 Ų11966 Ų6656%0.55637%0.371SS*.PPolyproline II helixtrans-79.7127.4-177.9-179159.4-142.700110.2G22 S23 W135E20-G22 PolarHBondContact O-N 3.2Å; E20-S23 VanDerWaalsContact O-CB 3.26Å; E20-S23 WeakPolarHBondContact O-CB 3.43Å; E20-S23 PolarHBondContact O-N 3.49Å; E20-S23 VanDerWaalsContact O-N 3.1Å; E20-S23 PolarHBondContact O-OG 2.7Å; E20-W135 HydrophobicContact CB-CH2 3.8Å; E20-W135 HydrophobicContact CB-CZ2 4.23Å; E20-W135 HydrophobicContact CB-CZ3 4.26Å; E20-W135 HydrophobicContact CG-CH2 3.79Å; E20-W135 HydrophobicContact CG-CZ3 3.75Å
21P80.7Confident85.9Confident41 Ų4170.1 Ų70.127%0.26639%0.389SS..THydrogen-bonded Turntrans-55.7138.1179.5-25.933.8000112.6S23 W135 Y136P21-S23 PolarHBondContact O-N 3.08Å; P21-W135 HydrophobicContact CG-CB 3.89Å; P21-W135 HydrophobicContact CG-CD2 4.2Å; P21-W135 HydrophobicContact CG-CG 3.93Å; P21-Y136 HydrophobicContact CB-CE1 4.45Å; P21-Y136 WeakPolarHBondContact CB-OH 3.37Å; P21-Y136 HydrophobicContact CG-CE1 4.33Å; P21-Y136 HydrophobicContact CG-CE2 4.15Å; P21-Y136 WeakPolarHBondContact CG-OH 3.48Å
22G73.3Confident85.9Confident62 Ų6272.7 Ų72.764%0.63940%0.404SS*.THydrogen-bonded Turntrans73.4-1.7-176.600000116.4E20 V24E20-G22 PolarHBondContact O-N 3.2Å; G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 2.81Å
23S70.4Confident85.9Confident79 Ų7974.4 Ų74.455%0.55241%0.408SS*.SBendtrans-69.3-22.6174.562.40000113.8E20 P21E20-S23 VanDerWaalsContact O-CB 3.26Å; E20-S23 WeakPolarHBondContact O-CB 3.43Å; E20-S23 PolarHBondContact O-N 3.49Å; E20-S23 VanDerWaalsContact O-N 3.1Å; E20-S23 PolarHBondContact O-OG 2.7Å; P21-S23 PolarHBondContact O-N 3.08Å
24V69.8Low86Confident98 Ų9875.2 Ų75.259%0.59441%0.411SS*.SBendtrans-132.2139.4178.2-177.60000109.8G22 I26G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 2.81Å; V24-I26 PolarHBondContact O-N 3.15Å
25E75.7Confident85.9Confident186 Ų18680.8 Ų80.887%0.86944%0.435SS*.  trans-71121.7175.9-173.1171.8-15300110.9S27E25-S27 PolarHBondContact O-N 3.33Å; E25-S27 VanDerWaalsContact O-N 3.08Å
26I84.1Confident85.9Confident42 Ų4281.1 Ų81.122%0.21544%0.437CS..  trans-70.2108.3-173.6-48.2172.4000109.5V24 V30 K31 Q100V24-I26 PolarHBondContact O-N 3.15Å; I26-V30 HydrophobicContact CG2-CB 4.21Å; I26-V30 HydrophobicContact CG2-CG1 3.98Å; I26-K31 HydrophobicContact CG2-CG 3.95Å; I26-K31 VanDerWaalsContact O-CE 3.26Å; I26-K31 WeakPolarHBondContact O-CE 3.46Å; I26-K31 PolarHBondContact O-NZ 3.01Å; I26-Q100 HydrophobicContact CD1-CB 3.83Å; I26-Q100 HydrophobicContact CD1-CG 3.85Å; I26-Q100 HydrophobicContact CG1-CG 4.47Å
27S87.7Confident86Confident51 Ų5181.4 Ų81.436%0.35744%0.437SS..  trans-63151.2-179.473.60000112.5E25 S29 V30 K31E25-S27 PolarHBondContact O-N 3.33Å; E25-S27 VanDerWaalsContact O-N 3.08Å; S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 PolarHBondContact OG-OG 3.45Å; S27-V30 PolarHBondContact O-N 2.67Å; S27-V30 WeakPolarHBondContact OG-CG2 3.22Å; S27-V30 PolarHBondContact OG-N 3.16Å; S27-K31 PolarHBondContact O-N 3.3Å; S27-K31 VanDerWaalsContact O-N 3.14Å
28D87.1Confident86.1Confident121 Ų12184.9 Ų84.965%0.64745%0.45SS*.Hα-helixtrans-65.6-21.7175.4-65.3-28.2000112.6K31 L32D28-K31 IonicContact OD1-NZ 2.9Å; D28-K31 PolarHBondContact OD1-NZ 2.97Å; D28-L32 WeakPolarHBondContact O-CB 3.43Å; D28-L32 PolarHBondContact O-N 3.33Å
29S89.3Confident86.1Confident86 Ų8685.2 Ų85.260%0.60146%0.458SS*.Hα-helixtrans-67.8-35.3170.854.20000113S27 K33S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 PolarHBondContact OG-OG 3.45Å; S29-K33 WeakPolarHBondContact O-CB 2.7Å; S29-K33 PolarHBondContact O-N 3.46Å
30V89.2Confident86.4Confident30 Ų3082.8 Ų82.818%0.18246%0.455CS..Hα-helixtrans-70.5-47.1173.1169.80000110.4I26 S27 L32 K33 Y34 M98 A99I26-V30 HydrophobicContact CG2-CB 4.21Å; I26-V30 HydrophobicContact CG2-CG1 3.98Å; S27-V30 PolarHBondContact O-N 2.67Å; S27-V30 WeakPolarHBondContact OG-CG2 3.22Å; S27-V30 PolarHBondContact OG-N 3.16Å; V30-L32 VanDerWaalsContact C-N 3.33Å; V30-L32 PolarHBondContact O-N 2.81Å; V30-K33 PolarHBondContact O-N 2.88Å; V30-Y34 PolarHBondContact O-N 3.44Å; V30-M98 HydrophobicContact CG1-CB 3.86Å; V30-M98 HydrophobicContact CG2-CE 4.46Å; V30-A99 HydrophobicContact CG1-CB 4.15Å
31K90.4Very high87Confident85 Ų8577.9 Ų77.937%0.3743%0.432SS..Hα-helixtrans-59.3-41.9176.7-62.7173-170.9127.20112.2I26 S27 D28 K35I26-K31 HydrophobicContact CG2-CG 3.95Å; I26-K31 VanDerWaalsContact O-CE 3.26Å; I26-K31 WeakPolarHBondContact O-CE 3.46Å; I26-K31 PolarHBondContact O-NZ 3.01Å; S27-K31 PolarHBondContact O-N 3.3Å; S27-K31 VanDerWaalsContact O-N 3.14Å; D28-K31 IonicContact OD1-NZ 2.9Å; D28-K31 PolarHBondContact OD1-NZ 2.97Å; K31-K35 WeakPolarHBondContact O-CG 3.27Å; K31-K35 PolarHBondContact O-N 3.48Å; K31-K35 VanDerWaalsContact O-N 3.15Å
32L92.3Very high87.6Confident109 Ų10978.4 Ų78.457%0.57144%0.436SS*.Hα-helixtrans-66.3-44.7176.3-177.863.3000111.2D28 V30 Y34 K35 C36D28-L32 WeakPolarHBondContact O-CB 3.43Å; D28-L32 PolarHBondContact O-N 3.33Å; V30-L32 VanDerWaalsContact C-N 3.33Å; V30-L32 PolarHBondContact O-N 2.81Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 2.84Å; L32-K35 PolarHBondContact O-N 3.4Å; L32-C36 PolarHBondContact O-N 3Å; L32-C36 PolarHBondContact O-SG 3.39Å; L32-C36 VanDerWaalsContact O-SG 3.33Å
33K92.3Very high88.5Confident110 Ų11083.9 Ų83.948%0.47845%0.445SS..Hα-helixtrans-58.6-45.7176.7-175.5178.5178.9-176.70111.7S29 V30 K35 C36 C37S29-K33 WeakPolarHBondContact O-CB 2.7Å; S29-K33 PolarHBondContact O-N 3.46Å; V30-K33 PolarHBondContact O-N 2.88Å; K33-K35 PolarHBondContact O-N 3.43Å; K33-C36 PolarHBondContact O-N 2.98Å; K33-C37 WeakPolarHBondContact O-CB 3.26Å; K33-C37 PolarHBondContact O-N 2.99Å; K33-C37 PolarHBondContact O-SG 3.01Å; K33-C37 VanDerWaalsContact O-SG 3.34Å
34Y94.9Very high89.5Confident17 Ų1783.2 Ų83.27%0.06743%0.433CS..Hα-helixtrans-56.6-48.9175.5163.9-121000112.2V30 L32 C37 R38 L92 A99 E101 T104V30-Y34 PolarHBondContact O-N 3.44Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 2.84Å; Y34-C37 PolarHBondContact O-N 3.37Å; Y34-R38 PolarHBondContact O-N 3.29Å; Y34-R38 PolarHBondContact OH-NH1 3.35Å; Y34-L92 HydrophobicContact CD2-CD1 3.9Å; Y34-L92 HydrophobicContact CE2-CD1 3.94Å; Y34-A99 HydrophobicContact CD1-CB 4.1Å; Y34-A99 HydrophobicContact CG-CB 3.98Å; Y34-E101 HydrophobicContact CD1-CG 4.02Å; Y34-E101 HydrophobicContact CE1-CB 4.26Å; Y34-E101 HydrophobicContact CE1-CG 3.52Å; Y34-E101 WeakPolarHBondContact CE1-OE1 3.46Å; Y34-E101 HydrophobicContact CE2-CB 4.38Å; Y34-E101 HydrophobicContact CE2-CG 4.46Å; Y34-T104 HydrophobicContact CE2-CG2 3.92Å; Y34-T104 PolarHBondContact OH-OG1 3.2Å
35K93.4Very high90.6Very high121 Ų12178.5 Ų78.553%0.52641%0.405SS..Hα-helixtrans-59.1-50.3176.5-72.1178.3179.9-175.70112K31 L32 K33 C37 R38 E39K31-K35 WeakPolarHBondContact O-CG 3.27Å; K31-K35 PolarHBondContact O-N 3.48Å; K31-K35 VanDerWaalsContact O-N 3.15Å; L32-K35 PolarHBondContact O-N 3.4Å; K33-K35 PolarHBondContact O-N 3.43Å; K35-C37 VanDerWaalsContact C-N 3.32Å; K35-C37 PolarHBondContact O-N 2.88Å; K35-R38 PolarHBondContact O-N 3.44Å; K35-R38 VanDerWaalsContact O-N 3.12Å; K35-E39 WeakPolarHBondContact O-CB 3.2Å; K35-E39 VanDerWaalsContact O-CG 3.32Å; K35-E39 WeakPolarHBondContact O-CG 3.04Å; K35-E39 PolarHBondContact O-N 2.96Å
36C93Very high91.6Very high65 Ų6571.5 Ų71.544%0.43938%0.379SS..Hα-helixtrans-61.5-37.1178.1-63.80000112.7L32 K33 S40L32-C36 PolarHBondContact O-N 3Å; L32-C36 PolarHBondContact O-SG 3.39Å; L32-C36 VanDerWaalsContact O-SG 3.33Å; K33-C36 PolarHBondContact O-N 2.98Å; C36-S40 VanDerWaalsContact O-CB 3.23Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 3.05Å; C36-S40 PolarHBondContact O-OG 3.08Å
37C92.4Very high92.1Very high19 Ų1972.2 Ų72.213%0.12839%0.387CS..Hα-helixtrans-63.1-45173.1-74.40000111.6K33 Y34 K35 S40 L92K33-C37 WeakPolarHBondContact O-CB 3.26Å; K33-C37 PolarHBondContact O-N 2.99Å; K33-C37 PolarHBondContact O-SG 3.01Å; K33-C37 VanDerWaalsContact O-SG 3.34Å; Y34-C37 PolarHBondContact O-N 3.37Å; K35-C37 VanDerWaalsContact C-N 3.32Å; K35-C37 PolarHBondContact O-N 2.88Å; C37-S40 PolarHBondContact O-N 3.35Å; C37-S40 PolarHBondContact O-OG 3.17Å; C37-L92 HydrophobicContact CB-CB 4.36Å; C37-L92 HydrophobicContact CB-CD1 3.92Å
38R93.6Very high92.5Very high76 Ų7670.7 Ų70.729%0.28738%0.375SS..Hα-helixtrans-66.4-42.5179.1-171176.5177.3120.27.9112Y34 K35 S40 E53 L92 T104Y34-R38 PolarHBondContact O-N 3.29Å; Y34-R38 PolarHBondContact OH-NH1 3.35Å; K35-R38 PolarHBondContact O-N 3.44Å; K35-R38 VanDerWaalsContact O-N 3.12Å; R38-S40 VanDerWaalsContact C-N 3.27Å; R38-S40 PolarHBondContact O-N 2.83Å; R38-E53 IonicContact CZ-OE1 2.88Å; R38-E53 IonicContact CZ-OE2 2.7Å; R38-E53 IonicContact NH1-OE1 3.24Å; R38-E53 PolarHBondContact NH1-OE1 3.3Å; R38-E53 IonicContact NH1-OE2 2.71Å; R38-E53 PolarHBondContact NH1-OE2 3.24Å; R38-E53 VanDerWaalsContact NH2-CD 3.35Å; R38-E53 IonicContact NH2-OE1 3.33Å; R38-E53 PolarHBondContact NH2-OE1 3.29Å; R38-E53 IonicContact NH2-OE2 3.5Å; R38-E53 PolarHBondContact NH2-OE2 2.8Å; R38-L92 HydrophobicContact CB-CD1 3.98Å; R38-T104 PolarHBondContact NH1-OG1 3.39Å; R38-T104 VanDerWaalsContact NH1-OG1 3.15Å
39E92.8Very high93Very high151 Ų15165 Ų6571%0.70635%0.345SS*.Hα-helixtrans-70.2-19.1176.3-69.6165.7-167.500113.3K35K35-E39 WeakPolarHBondContact O-CB 3.2Å; K35-E39 VanDerWaalsContact O-CG 3.32Å; K35-E39 WeakPolarHBondContact O-CG 3.04Å; K35-E39 PolarHBondContact O-N 2.96Å
40S92.4Very high93.4Very high71 Ų7165.8 Ų65.850%0.49734%0.339SS..THydrogen-bonded Turntrans-83.5-9.1178.773.40000115C36 C37 R38C36-S40 VanDerWaalsContact O-CB 3.23Å; C36-S40 WeakPolarHBondContact O-CB 3.47Å; C36-S40 PolarHBondContact O-N 3.05Å; C36-S40 PolarHBondContact O-OG 3.08Å; C37-S40 PolarHBondContact O-N 3.35Å; C37-S40 PolarHBondContact O-OG 3.17Å; R38-S40 VanDerWaalsContact C-N 3.27Å; R38-S40 PolarHBondContact O-N 2.83Å
41L92.8Very high93.8Very high15 Ų1566.3 Ų66.38%0.07934%0.339CS..SBendtrans-65.1146175.3-66.5-178000110.9L45 A46 L49 Q88 L89 L92L41-L45 HydrophobicContact CB-CB 4.28Å; L41-L45 HydrophobicContact CD1-CB 4.48Å; L41-L45 HydrophobicContact CD2-CB 4.41Å; L41-A46 HydrophobicContact CB-CB 4.33Å; L41-L49 HydrophobicContact CD1-CD2 3.84Å; L41-Q88 HydrophobicContact CD2-CB 4.38Å; L41-L89 HydrophobicContact CD2-CD2 4.06Å; L41-L92 HydrophobicContact CD1-CD2 3.74Å; L41-L92 HydrophobicContact CG-CD2 4.3Å
42C93.1Very high94.1Very high52 Ų5262.5 Ų62.535%0.35132%0.324SS..  trans-67.5154167.769.40000111.1E44 L45 A46C42-E44 PolarHBondContact O-N 2.86Å; C42-E44 VanDerWaalsContact O-N 3.1Å; C42-L45 PolarHBondContact O-N 3.41Å; C42-A46 PolarHBondContact O-N 2.78Å
43E92.3Very high94.3Very high177 Ų17758.4 Ų58.483%0.82730%0.301SS*.Hα-helixtrans-47.6-42.4-175.8-173.4179.4-179.800113.7S47E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.19Å
44E91.3Very high94.5Very high65 Ų6557.8 Ų57.830%0.30430%0.301SS..Hα-helixtrans-67.4-39.8177.5-173.4178.8-177.300113C42 S47 L48 R63 L81C42-E44 PolarHBondContact O-N 2.86Å; C42-E44 VanDerWaalsContact O-N 3.1Å; E44-S47 PolarHBondContact O-N 2.92Å; E44-L48 HydrophobicContact CG-CD1 4.11Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.07Å; E44-R63 IonicContact OE1-CZ 2.64Å; E44-R63 VanDerWaalsContact OE1-CZ 3.25Å; E44-R63 IonicContact OE1-NE 3.68Å; E44-R63 PolarHBondContact OE1-NE 3.35Å; E44-R63 VanDerWaalsContact OE1-NE 3.09Å; E44-R63 IonicContact OE1-NH2 3.37Å; E44-R63 PolarHBondContact OE1-NH2 2.91Å; E44-R63 IonicContact OE2-CZ 3.74Å; E44-R63 IonicContact OE2-NH2 2.72Å; E44-R63 PolarHBondContact OE2-NH2 2.84Å; E44-L81 HydrophobicContact CB-CD2 4.47Å; E44-L81 VanDerWaalsContact CD-CD2 3.43Å; E44-L81 HydrophobicContact CG-CD2 3.87Å
45L93.4Very high94.5Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-74.4-34.3177.7-73.2174.9000112.1L41 C42 L48 L49 L81 I82 N85 L89L41-L45 HydrophobicContact CB-CB 4.28Å; L41-L45 HydrophobicContact CD1-CB 4.48Å; L41-L45 HydrophobicContact CD2-CB 4.41Å; C42-L45 PolarHBondContact O-N 3.41Å; L45-L48 HydrophobicContact CD2-CD1 4.43Å; L45-L49 VanDerWaalsContact O-CB 3.26Å; L45-L49 WeakPolarHBondContact O-CB 3.29Å; L45-L49 PolarHBondContact O-N 3.48Å; L45-L81 HydrophobicContact CD2-CD2 3.8Å; L45-L81 HydrophobicContact CD2-CG 4.03Å; L45-L81 HydrophobicContact CG-CD2 4.16Å; L45-L81 HydrophobicContact CG-CG 4.29Å; L45-I82 HydrophobicContact CD2-CD1 3.91Å; L45-N85 HydrophobicContact CD1-CB 3.4Å; L45-L89 HydrophobicContact CD2-CD1 4.44Å
46A95.3Very high94.7Very high39 Ų3957.4 Ų57.432%0.32230%0.3SS..Hα-helixtrans-62.5-44.8171.200000111L41 C42 L49 E50L41-A46 HydrophobicContact CB-CB 4.33Å; C42-A46 PolarHBondContact O-N 2.78Å; A46-L49 PolarHBondContact O-N 3.39Å; A46-E50 PolarHBondContact O-N 3.01Å
47S95.7Very high94.9Very high57 Ų5755.5 Ų55.540%0.39928%0.284SS..Hα-helixtrans-63.7-46.4175.2179.80000112.4E43 E44 L49 E50 E51E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.19Å; E44-S47 PolarHBondContact O-N 2.92Å; S47-L49 VanDerWaalsContact C-N 3.29Å; S47-L49 PolarHBondContact O-N 3.48Å; S47-E50 PolarHBondContact O-N 2.57Å; S47-E51 WeakPolarHBondContact O-CG 3.3Å; S47-E51 PolarHBondContact O-N 3.1Å
48L95.8Very high95.1Very high19 Ų1954.7 Ų54.710%0.09928%0.278CS..Hα-helixtrans-63.4-33.1176.4-76.8168.5000113.1E44 L45 A52 W57 L78 L81 L111E44-L48 HydrophobicContact CG-CD1 4.11Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.07Å; L45-L48 HydrophobicContact CD2-CD1 4.43Å; L48-A52 WeakPolarHBondContact O-CB 3.29Å; L48-A52 PolarHBondContact O-N 3.04Å; L48-A52 VanDerWaalsContact O-N 3.08Å; L48-W57 HydrophobicContact CD2-CZ2 4.38Å; L48-L78 HydrophobicContact CD1-CD1 3.63Å; L48-L81 HydrophobicContact CD1-CD2 4.07Å; L48-L111 HydrophobicContact CB-CD1 4.41Å; L48-L111 HydrophobicContact CB-CD2 4.07Å
49L97.2Very high95.3Very high1 Ų152.1 Ų52.11%0.00527%0.269CS..Hα-helixtrans-68-46.3173.6177.862.1000111L41 L45 A46 S47 E51 A52 E53 L92 T104 A107 V108 L111L41-L49 HydrophobicContact CD1-CD2 3.84Å; L45-L49 VanDerWaalsContact O-CB 3.26Å; L45-L49 WeakPolarHBondContact O-CB 3.29Å; L45-L49 PolarHBondContact O-N 3.48Å; A46-L49 PolarHBondContact O-N 3.39Å; S47-L49 VanDerWaalsContact C-N 3.29Å; S47-L49 PolarHBondContact O-N 3.48Å; L49-E51 PolarHBondContact O-N 3.28Å; L49-A52 PolarHBondContact O-N 3.25Å; L49-E53 HydrophobicContact CD1-CG 4.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.88Å; L49-L92 HydrophobicContact CD2-CD2 3.73Å; L49-T104 HydrophobicContact CD1-CG2 4.41Å; L49-T104 HydrophobicContact CD2-CG2 4.22Å; L49-A107 HydrophobicContact CD1-CB 3.74Å; L49-V108 HydrophobicContact CD1-CG2 3.67Å; L49-L111 HydrophobicContact CB-CD1 4.21Å; L49-L111 HydrophobicContact CD1-CD1 4.41Å
50E97.3Very high95.4Very high103 Ų10345 Ų4548%0.48124%0.236SC..Hα-helixtrans-60-43.9175.5-172.6-176.5164.300111.6A46 S47 A52 E53 Q54A46-E50 PolarHBondContact O-N 3.01Å; S47-E50 PolarHBondContact O-N 2.57Å; E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.02Å; E50-E53 PolarHBondContact O-N 3.03Å; E50-Q54 VanDerWaalsContact CG-NE2 3.32Å; E50-Q54 WeakPolarHBondContact O-CB 3.08Å; E50-Q54 VanDerWaalsContact O-CG 3.23Å; E50-Q54 WeakPolarHBondContact O-CG 3.19Å; E50-Q54 PolarHBondContact O-N 3.14Å; E50-Q54 PolarHBondContact OE1-NE2 2.82Å
51E97.4Very high95.5Very high41 Ų4143.3 Ų43.319%0.19222%0.223CC..Hα-helixtrans-61.5-37.1175-69.7-164.9172.400113S47 L49 M55 K56 W57S47-E51 WeakPolarHBondContact O-CG 3.3Å; S47-E51 PolarHBondContact O-N 3.1Å; L49-E51 PolarHBondContact O-N 3.28Å; E51-M55 PolarHBondContact O-N 3.35Å; E51-K56 HydrophobicContact CB-CB 4.18Å; E51-K56 HydrophobicContact CB-CD 3.87Å; E51-K56 VanDerWaalsContact CD-CD 3.46Å; E51-K56 HydrophobicContact CG-CD 3.55Å; E51-K56 VanDerWaalsContact O-CB 3.24Å; E51-K56 WeakPolarHBondContact O-CB 3.44Å; E51-K56 PolarHBondContact O-N 3.34Å; E51-K56 IonicContact OE1-NZ 2.83Å; E51-K56 PolarHBondContact OE1-NZ 3.18Å; E51-K56 IonicContact OE2-NZ 2.73Å; E51-W57 HydrophobicContact CB-CZ2 3.83Å; E51-W57 PolarHBondContact OE2-NE1 2.84Å
52A96.8Very high95.4Very high5 Ų543.1 Ų43.14%0.04122%0.222CC..Hα-helixtrans-71-42.3176.900000112.1L48 L49 E50 Q54 M55 W57 A107 F110 L111L48-A52 WeakPolarHBondContact O-CB 3.29Å; L48-A52 PolarHBondContact O-N 3.04Å; L48-A52 VanDerWaalsContact O-N 3.08Å; L49-A52 PolarHBondContact O-N 3.25Å; E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.02Å; A52-Q54 VanDerWaalsContact C-N 3.27Å; A52-Q54 PolarHBondContact O-N 2.8Å; A52-M55 PolarHBondContact O-N 2.94Å; A52-M55 VanDerWaalsContact O-N 3.12Å; A52-W57 HydrophobicContact CB-CH2 3.82Å; A52-W57 HydrophobicContact CB-CZ3 4.36Å; A52-A107 HydrophobicContact CB-CB 3.88Å; A52-F110 HydrophobicContact CB-CD1 4.14Å; A52-L111 HydrophobicContact CB-CD2 4.45Å; A52-L111 HydrophobicContact CB-CG 4.37Å
53E96.2Very high95.2Very high22 Ų2244.6 Ų44.610%0.10322%0.22CC..Hα-helixtrans-63.6-32.5174.2-72.6175.7-177.600112.3R38 L49 E50 M55 Q103 T104 A107R38-E53 IonicContact CZ-OE1 2.88Å; R38-E53 IonicContact CZ-OE2 2.7Å; R38-E53 IonicContact NH1-OE1 3.24Å; R38-E53 PolarHBondContact NH1-OE1 3.3Å; R38-E53 IonicContact NH1-OE2 2.71Å; R38-E53 PolarHBondContact NH1-OE2 3.24Å; R38-E53 VanDerWaalsContact NH2-CD 3.35Å; R38-E53 IonicContact NH2-OE1 3.33Å; R38-E53 PolarHBondContact NH2-OE1 3.29Å; R38-E53 IonicContact NH2-OE2 3.5Å; R38-E53 PolarHBondContact NH2-OE2 2.8Å; L49-E53 HydrophobicContact CD1-CG 4.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.88Å; E50-E53 PolarHBondContact O-N 3.03Å; E53-M55 VanDerWaalsContact C-N 3.27Å; E53-M55 PolarHBondContact O-N 2.71Å; E53-Q103 HydrophobicContact CB-CG 4.28Å; E53-Q103 HydrophobicContact CG-CG 4.26Å; E53-Q103 PolarHBondContact O-NE2 2.98Å; E53-T104 WeakPolarHBondContact OE1-CA 3.31Å; E53-T104 WeakPolarHBondContact OE1-CG2 3.41Å; E53-T104 PolarHBondContact OE1-OG1 3.06Å; E53-A107 HydrophobicContact CB-CB 4.34Å; E53-A107 HydrophobicContact CG-CB 3.43Å; E53-A107 VanDerWaalsContact CG-CB 3.43Å
54Q96.6Very high95.1Very high98 Ų9836.6 Ų36.646%0.45818%0.182SC..THydrogen-bonded Turntrans-79.50.1174.5-71.4173.58.700113.8E50 A52 K56 H182E50-Q54 VanDerWaalsContact CG-NE2 3.32Å; E50-Q54 WeakPolarHBondContact O-CB 3.08Å; E50-Q54 VanDerWaalsContact O-CG 3.23Å; E50-Q54 WeakPolarHBondContact O-CG 3.19Å; E50-Q54 PolarHBondContact O-N 3.14Å; E50-Q54 PolarHBondContact OE1-NE2 2.82Å; A52-Q54 VanDerWaalsContact C-N 3.27Å; A52-Q54 PolarHBondContact O-N 2.8Å; Q54-K56 PolarHBondContact O-N 3.2Å; Q54-H182 PolarHBondContact O-CE1 2.84Å; Q54-H182 VanDerWaalsContact O-CE1 3.22Å
55M96.7Very high95.1Very high35 Ų3533.8 Ų33.817%0.17217%0.17CC..THydrogen-bonded Turntrans57.329.9-176.3-57.7176.1-8200114.3E51 A52 E53 W57 P140 W179 V180 H182E51-M55 PolarHBondContact O-N 3.35Å; A52-M55 PolarHBondContact O-N 2.94Å; A52-M55 VanDerWaalsContact O-N 3.12Å; E53-M55 VanDerWaalsContact C-N 3.27Å; E53-M55 PolarHBondContact O-N 2.71Å; M55-W57 PolarHBondContact O-N 3.2Å; M55-W57 VanDerWaalsContact O-N 3.11Å; M55-P140 HydrophobicContact CE-CG 4.34Å; M55-P140 HydrophobicContact CG-CB 4.29Å; M55-P140 HydrophobicContact CG-CG 4.14Å; M55-P140 HydrophobicContact SD-CB 3.42Å; M55-P140 WeakPolarHBondContact SD-CB 3.34Å; M55-P140 HydrophobicContact SD-CG 3.55Å; M55-P140 VanDerWaalsContact SD-CG 3.55Å; M55-W179 HydrophobicContact CB-CD2 4.34Å; M55-W179 HydrophobicContact CB-CH2 3.86Å; M55-W179 HydrophobicContact CB-CZ2 3.55Å; M55-W179 HydrophobicContact CB-CZ3 4.36Å; M55-W179 HydrophobicContact CG-CD2 4.15Å; M55-W179 HydrophobicContact CG-CE3 3.99Å; M55-W179 HydrophobicContact CG-CH2 3.73Å; M55-W179 HydrophobicContact CG-CZ2 3.9Å; M55-W179 HydrophobicContact CG-CZ3 3.77Å; M55-W179 HydrophobicContact SD-CD2 4.25Å; M55-W179 HydrophobicContact SD-CE3 4.23Å; M55-V180 HydrophobicContact CE-CB 3.77Å; M55-V180 HydrophobicContact CE-CG2 3.76Å; M55-V180 HydrophobicContact SD-CB 4Å; M55-V180 HydrophobicContact SD-CG2 4.18Å; M55-V180 PolarHBondContact SD-N 3.25Å; M55-V180 VanDerWaalsContact SD-N 3.4Å; M55-H182 PolarHBondContact O-CE1 2.8Å; M55-H182 PolarHBondContact O-ND1 3.46Å
56K97.1Very high95Very high95 Ų9536.1 Ų36.141%0.41318%0.179SC..  trans-61.2-25.4-169.2-169.9177.3-179.2175.40114.7E51 Q54E51-K56 HydrophobicContact CB-CB 4.18Å; E51-K56 HydrophobicContact CB-CD 3.87Å; E51-K56 VanDerWaalsContact CD-CD 3.46Å; E51-K56 HydrophobicContact CG-CD 3.55Å; E51-K56 VanDerWaalsContact O-CB 3.24Å; E51-K56 WeakPolarHBondContact O-CB 3.44Å; E51-K56 PolarHBondContact O-N 3.34Å; E51-K56 IonicContact OE1-NZ 2.83Å; E51-K56 PolarHBondContact OE1-NZ 3.18Å; E51-K56 IonicContact OE2-NZ 2.73Å; Q54-K56 PolarHBondContact O-N 3.2Å
57W96.4Very high94.6Very high24 Ų2438.5 Ų38.59%0.09118%0.182CC..  trans-150.5147.3179.827.6-105.1000110.9L48 E51 A52 M55 F59 V60 P61 F110 L111 W179L48-W57 HydrophobicContact CD2-CZ2 4.38Å; E51-W57 HydrophobicContact CB-CZ2 3.83Å; E51-W57 PolarHBondContact OE2-NE1 2.84Å; A52-W57 HydrophobicContact CB-CH2 3.82Å; A52-W57 HydrophobicContact CB-CZ3 4.36Å; M55-W57 PolarHBondContact O-N 3.2Å; M55-W57 VanDerWaalsContact O-N 3.11Å; W57-F59 VanDerWaalsContact C-N 3.33Å; W57-F59 PolarHBondContact O-N 3.36Å; W57-V60 HydrophobicContact CE3-CB 4.4Å; W57-V60 HydrophobicContact CH2-CB 4.18Å; W57-V60 HydrophobicContact CH2-CG1 3.66Å; W57-V60 HydrophobicContact CH2-CG2 4.16Å; W57-V60 HydrophobicContact CZ2-CG1 4.22Å; W57-V60 HydrophobicContact CZ3-CB 3.86Å; W57-V60 HydrophobicContact CZ3-CG1 3.88Å; W57-V60 HydrophobicContact CZ3-CG2 3.68Å; W57-P61 HydrophobicContact CG-CG 4.44Å; W57-F110 AromaticContact CE3-CE1 3.57Å; W57-F110 HydrophobicContact CE3-CE1 3.57Å; W57-F110 HydrophobicContact CE3-CE2 4.37Å; W57-F110 AromaticContact CE3-CZ 3.46Å; W57-F110 HydrophobicContact CE3-CZ 3.46Å; W57-F110 VanDerWaalsContact CE3-CZ 3.46Å; W57-F110 HydrophobicContact CH2-CE1 4.35Å; W57-F110 AromaticContact CZ3-CD1 3.84Å; W57-F110 HydrophobicContact CZ3-CD1 3.84Å; W57-F110 AromaticContact CZ3-CE1 3.26Å; W57-F110 HydrophobicContact CZ3-CE1 3.26Å; W57-F110 HydrophobicContact CZ3-CE2 4.05Å; W57-F110 HydrophobicContact CZ3-CG 4.47Å; W57-F110 AromaticContact CZ3-CZ 3.39Å; W57-F110 HydrophobicContact CZ3-CZ 3.39Å; W57-F110 WeakPolarHBondContact O-CE1 3.39Å; W57-F110 WeakPolarHBondContact O-CZ 3.26Å; W57-L111 HydrophobicContact CH2-CD2 3.91Å; W57-W179 WeakPolarHBondContact O-CZ2 3.48Å
58P97.1Very high93.8Very high2 Ų244.2 Ų44.21%0.01320%0.202CC..SBendtrans-78.9-13.6-179.632-37.6000114.4F110 P143 Q144 Y181 D186 L189 V190P58-F110 WeakPolarHBondContact O-CZ 3.33Å; P58-P143 HydrophobicContact CB-CB 4.2Å; P58-P143 HydrophobicContact CB-CG 3.8Å; P58-Q144 PolarHBondContact O-N 2.96Å; P58-Y181 HydrophobicContact CB-CE1 4.07Å; P58-D186 VanDerWaalsContact CD-OD1 3.26Å; P58-D186 WeakPolarHBondContact CD-OD1 3.44Å; P58-D186 HydrophobicContact CG-CB 3.85Å; P58-L189 HydrophobicContact CG-CD2 4.25Å; P58-V190 HydrophobicContact CB-CG2 3.64Å; P58-V190 HydrophobicContact CG-CG2 4.07Å
59F97.3Very high93.1Very high22 Ų2248.3 Ų48.310%0.09623%0.232CC..SBendtrans-140.5140.1174.3-55.8-86.2000109.4W57 P61 Q144 I147 L189 V190 V193W57-F59 VanDerWaalsContact C-N 3.33Å; W57-F59 PolarHBondContact O-N 3.36Å; F59-P61 WeakPolarHBondContact O-CD 3.36Å; F59-Q144 HydrophobicContact CD1-CB 3.63Å; F59-Q144 HydrophobicContact CD1-CG 3.84Å; F59-Q144 HydrophobicContact CE1-CB 4.1Å; F59-Q144 HydrophobicContact CE1-CG 4.46Å; F59-I147 HydrophobicContact CE1-CD1 3.9Å; F59-I147 HydrophobicContact CZ-CD1 3.65Å; F59-L189 HydrophobicContact CD2-CD2 3.78Å; F59-L189 HydrophobicContact CD2-CG 3.86Å; F59-L189 HydrophobicContact CE2-CD2 4.29Å; F59-L189 HydrophobicContact CE2-CG 3.88Å; F59-V190 HydrophobicContact CE2-CB 4.37Å; F59-V190 HydrophobicContact CE2-CG2 3.63Å; F59-V190 HydrophobicContact CZ-CG2 4Å; F59-V193 HydrophobicContact CE1-CB 4.37Å; F59-V193 HydrophobicContact CE1-CG1 4.05Å; F59-V193 HydrophobicContact CE1-CG2 4.25Å; F59-V193 HydrophobicContact CE2-CB 4.4Å; F59-V193 HydrophobicContact CE2-CG2 3.89Å; F59-V193 HydrophobicContact CZ-CB 3.81Å; F59-V193 HydrophobicContact CZ-CG1 3.99Å; F59-V193 HydrophobicContact CZ-CG2 3.71Å
60V96Very high92.5Very high1 Ų150 Ų501%0.00624%0.241CC..PPolyproline II helixtrans-63.3119.3-179.5-158.60000110W57 L78 F110 L111 R114W57-V60 HydrophobicContact CE3-CB 4.4Å; W57-V60 HydrophobicContact CH2-CB 4.18Å; W57-V60 HydrophobicContact CH2-CG1 3.66Å; W57-V60 HydrophobicContact CH2-CG2 4.16Å; W57-V60 HydrophobicContact CZ2-CG1 4.22Å; W57-V60 HydrophobicContact CZ3-CB 3.86Å; W57-V60 HydrophobicContact CZ3-CG1 3.88Å; W57-V60 HydrophobicContact CZ3-CG2 3.68Å; V60-L78 HydrophobicContact CB-CD2 4.18Å; V60-L78 HydrophobicContact CG1-CD2 3.23Å; V60-F110 HydrophobicContact CG2-CD2 3.94Å; V60-F110 HydrophobicContact CG2-CE2 3.85Å; V60-F110 HydrophobicContact CG2-CZ 4.48Å; V60-F110 WeakPolarHBondContact CG2-O 3.24Å; V60-L111 HydrophobicContact CG1-CD2 3.91Å; V60-L111 HydrophobicContact CG2-CD2 4.45Å; V60-R114 PolarHBondContact O-NH1 3.31Å; V60-R114 PolarHBondContact O-NH2 2.87Å
61P93.4Very high92Very high37 Ų3747.1 Ų47.124%0.2423%0.232CC..PPolyproline II helixtrans-73.3144.8-176.328.3-34.5000112.3W57 F59 Y66W57-P61 HydrophobicContact CG-CG 4.44Å; F59-P61 WeakPolarHBondContact O-CD 3.36Å; P61-Y66 HydrophobicContact CB-CD2 4.4Å; P61-Y66 HydrophobicContact CB-CE2 4.1Å
62E91.4Very high91.3Very high11 Ų1150.3 Ų50.35%0.05126%0.256CS..PPolyproline II helixtrans-79.3145.6157.9-48.3-67157.500109.1W64 Q65 L78 R114 K231E62-W64 HydrophobicContact CB-CD2 4.36Å; E62-W64 HydrophobicContact CB-CG 4.47Å; E62-W64 HydrophobicContact CB-CZ2 4.39Å; E62-W64 HydrophobicContact CG-CZ2 4.22Å; E62-W64 PolarHBondContact O-N 2.7Å; E62-Q65 HydrophobicContact CB-CB 4.1Å; E62-Q65 VanDerWaalsContact O-CB 3.23Å; E62-Q65 WeakPolarHBondContact O-CB 3.42Å; E62-Q65 PolarHBondContact O-N 2.77Å; E62-L78 WeakPolarHBondContact OE2-CB 3.37Å; E62-L78 PolarHBondContact OE2-N 3.46Å; E62-R114 IonicContact OE1-CZ 3.63Å; E62-R114 IonicContact OE1-NE 2.63Å; E62-R114 IonicContact OE1-NH1 2.61Å; E62-R114 PolarHBondContact OE1-NH1 3.29Å; E62-K231 HydrophobicContact CG-CD 3.8Å; E62-K231 IonicContact OE1-NZ 2.75Å; E62-K231 PolarHBondContact OE1-NZ 2.93Å
63R89.2Confident90.6Very high82 Ų8254.4 Ų54.431%0.30928%0.281SS..THydrogen-bonded Turntrans-56.5-29.9-175.9-60.1-174.4-171.5166.74.5113.9E44 K67 T73 D74 T76E44-R63 IonicContact OE1-CZ 2.64Å; E44-R63 VanDerWaalsContact OE1-CZ 3.25Å; E44-R63 IonicContact OE1-NE 3.68Å; E44-R63 PolarHBondContact OE1-NE 3.35Å; E44-R63 VanDerWaalsContact OE1-NE 3.09Å; E44-R63 IonicContact OE1-NH2 3.37Å; E44-R63 PolarHBondContact OE1-NH2 2.91Å; E44-R63 IonicContact OE2-CZ 3.74Å; E44-R63 IonicContact OE2-NH2 2.72Å; E44-R63 PolarHBondContact OE2-NH2 2.84Å; R63-K67 VanDerWaalsContact O-CD 3.31Å; R63-K67 WeakPolarHBondContact O-CD 3.49Å; R63-K67 WeakPolarHBondContact O-CE 3.41Å; R63-T73 VanDerWaalsContact CD-O 3.27Å; R63-T73 WeakPolarHBondContact CD-O 3.31Å; R63-T73 PolarHBondContact NH1-O 3.14Å; R63-D74 HydrophobicContact CB-CB 4.24Å; R63-T76 VanDerWaalsContact CZ-OG1 3.3Å; R63-T76 PolarHBondContact NH1-OG1 3.38Å
64W90Very high90.1Very high9 Ų953.9 Ų53.93%0.03428%0.279CS..THydrogen-bonded Turntrans-89.8-11.117856.8-99000115E62 Y66 I70 D74 N77 K230 K231 Y288 Y291E62-W64 HydrophobicContact CB-CD2 4.36Å; E62-W64 HydrophobicContact CB-CG 4.47Å; E62-W64 HydrophobicContact CB-CZ2 4.39Å; E62-W64 HydrophobicContact CG-CZ2 4.22Å; E62-W64 PolarHBondContact O-N 2.7Å; W64-Y66 PolarHBondContact O-N 2.96Å; W64-I70 HydrophobicContact CB-CD1 4.27Å; W64-I70 HydrophobicContact CB-CG2 4.32Å; W64-D74 WeakPolarHBondContact CB-O 3.43Å; W64-D74 PolarHBondContact N-O 3.4Å; W64-N77 PolarHBondContact NE1-OD1 2.99Å; W64-K230 HydrophobicContact CZ3-CB 4.12Å; W64-K231 HydrophobicContact CH2-CB 3.87Å; W64-K231 HydrophobicContact CH2-CG 4.23Å; W64-K231 HydrophobicContact CZ3-CB 4.19Å; W64-Y288 WeakPolarHBondContact CZ3-O 3.38Å; W64-Y291 HydrophobicContact CB-CD2 4.18Å; W64-Y291 HydrophobicContact CD2-CD2 4.4Å; W64-Y291 HydrophobicContact CG-CD2 4.15Å
65Q91.8Very high89.6Confident7 Ų750.4 Ų50.43%0.03326%0.262CS..SBendtrans-61.4-40.2-160.6-173.4168.8-6.600114.6E62 D229 K230 K231E62-Q65 HydrophobicContact CB-CB 4.1Å; E62-Q65 VanDerWaalsContact O-CB 3.23Å; E62-Q65 WeakPolarHBondContact O-CB 3.42Å; E62-Q65 PolarHBondContact O-N 2.77Å; Q65-D229 VanDerWaalsContact CG-OD1 3.27Å; Q65-D229 WeakPolarHBondContact CG-OD1 3.32Å; Q65-D229 VanDerWaalsContact NE2-CG 3.3Å; Q65-D229 PolarHBondContact NE2-OD1 2.94Å; Q65-D229 PolarHBondContact NE2-OD2 2.75Å; Q65-K230 VanDerWaalsContact O-CB 3.3Å; Q65-K230 WeakPolarHBondContact O-CB 3.31Å; Q65-K230 WeakPolarHBondContact O-CG 3.25Å; Q65-K230 PolarHBondContact O-N 2.96Å; Q65-K231 HydrophobicContact CG-CB 3.84Å
66Y90.9Very high88.9Confident49 Ų4951.5 Ų51.519%0.19227%0.271CS..SBendtrans-114.5-13.1-174.3-58.6-73.1000113.4P61 W64 L189 Q227 D229P61-Y66 HydrophobicContact CB-CD2 4.4Å; P61-Y66 HydrophobicContact CB-CE2 4.1Å; W64-Y66 PolarHBondContact O-N 2.96Å; Y66-L189 WeakPolarHBondContact OH-CD2 3.17Å; Y66-Q227 HydrophobicContact CD1-CB 4.31Å; Y66-Q227 WeakPolarHBondContact CD1-O 3.35Å; Y66-Q227 PolarHBondContact O-OE1 3.17Å; Y66-D229 HydrophobicContact CE1-CB 3.76Å
67K86.8Confident88.3Confident88 Ų8848.4 Ų48.438%0.38326%0.259SS..  trans-71.6134.1-175-65.7-171.5179.7-175.20111.9R63 I70 D74 K230R63-K67 VanDerWaalsContact O-CD 3.31Å; R63-K67 WeakPolarHBondContact O-CD 3.49Å; R63-K67 WeakPolarHBondContact O-CE 3.41Å; K67-I70 HydrophobicContact CB-CG1 4.28Å; K67-D74 HydrophobicContact CD-CB 4.44Å; K67-D74 WeakPolarHBondContact CD-OD2 3.45Å; K67-D74 IonicContact NZ-OD1 3.4Å; K67-D74 PolarHBondContact NZ-OD1 2.88Å; K67-D74 IonicContact NZ-OD2 2.7Å; K67-D74 PolarHBondContact NZ-OD2 3.26Å; K67-K230 PolarHBondContact O-NZ 3.49Å
68Q78.5Confident87.9Confident178 Ų17848 Ų4883%0.83226%0.258SS*.SBendtrans-75.2-56170.8-68.3-174.7-4.300110.8
69S81.2Confident87.2Confident104 Ų10449.2 Ų49.273%0.72727%0.265SS*.SBendtrans-88.9123.9170.245.20000110.5
70I85.1Confident86.6Confident38 Ų3851.5 Ų51.520%0.19528%0.278CS..  trans-111.7110-172.2-61.8177.4000108.8W64 K67 D74 K75 Y291W64-I70 HydrophobicContact CB-CD1 4.27Å; W64-I70 HydrophobicContact CB-CG2 4.32Å; K67-I70 HydrophobicContact CB-CG1 4.28Å; I70-D74 HydrophobicContact CG2-CB 3.76Å; I70-K75 HydrophobicContact CG2-CG 3.78Å; I70-Y291 HydrophobicContact CD1-CD2 4.47Å; I70-Y291 HydrophobicContact CD1-CE2 3.57Å; I70-Y291 HydrophobicContact CG2-CE2 4.09Å
71S85.5Confident86.2Confident41 Ų4152.8 Ų52.829%0.28729%0.285SS..  trans-73.7163.9178.172.30000111.5T73 D74S71-T73 PolarHBondContact O-N 2.66Å; S71-T73 PolarHBondContact OG-OG1 3.28Å; S71-D74 VanDerWaalsContact CB-OD2 3.32Å; S71-D74 WeakPolarHBondContact CB-OD2 3.37Å; S71-D74 PolarHBondContact N-OD2 3.13Å; S71-D74 WeakPolarHBondContact O-CB 3.35Å; S71-D74 PolarHBondContact O-N 3.38Å; S71-D74 PolarHBondContact OG-N 3.46Å; S71-D74 PolarHBondContact OG-OD2 3.45Å
72P83.3Confident86.1Confident109 Ų10951.1 Ų51.171%0.70827%0.274SS*.G310 helixtrans-55.7-33.1175.2-26.836.3000113.6D74P72-D74 VanDerWaalsContact C-N 3.31Å; P72-D74 PolarHBondContact O-N 2.91Å
73T82.3Confident85.9Confident91 Ų9151.6 Ų51.656%0.55828%0.281SS*.G310 helixtrans-73.4-15.6176.136.30000114.2R63 S71 T76R63-T73 VanDerWaalsContact CD-O 3.27Å; R63-T73 WeakPolarHBondContact CD-O 3.31Å; R63-T73 PolarHBondContact NH1-O 3.14Å; S71-T73 PolarHBondContact O-N 2.66Å; S71-T73 PolarHBondContact OG-OG1 3.28Å; T73-T76 PolarHBondContact O-OG1 3.06Å
74D84.6Confident85.8Confident11 Ų1155.7 Ų55.76%0.05930%0.302CS..G310 helixtrans-85.4-12.5179.7-63.1-41.3000113.2R63 W64 K67 I70 S71 P72 T76R63-D74 HydrophobicContact CB-CB 4.24Å; W64-D74 WeakPolarHBondContact CB-O 3.43Å; W64-D74 PolarHBondContact N-O 3.4Å; K67-D74 HydrophobicContact CD-CB 4.44Å; K67-D74 WeakPolarHBondContact CD-OD2 3.45Å; K67-D74 IonicContact NZ-OD1 3.4Å; K67-D74 PolarHBondContact NZ-OD1 2.88Å; K67-D74 IonicContact NZ-OD2 2.7Å; K67-D74 PolarHBondContact NZ-OD2 3.26Å; I70-D74 HydrophobicContact CG2-CB 3.76Å; S71-D74 VanDerWaalsContact CB-OD2 3.32Å; S71-D74 WeakPolarHBondContact CB-OD2 3.37Å; S71-D74 PolarHBondContact N-OD2 3.13Å; S71-D74 WeakPolarHBondContact O-CB 3.35Å; S71-D74 PolarHBondContact O-N 3.38Å; S71-D74 PolarHBondContact OG-N 3.46Å; S71-D74 PolarHBondContact OG-OD2 3.45Å; P72-D74 VanDerWaalsContact C-N 3.31Å; P72-D74 PolarHBondContact O-N 2.91Å; D74-T76 VanDerWaalsContact C-N 3.27Å; D74-T76 PolarHBondContact O-N 3.36Å
75K86.4Confident85.9Confident25 Ų2556.7 Ų56.711%0.10931%0.307CS..G310 helixtrans-86.28.6-172.2-59.3174.7178.7170.10114.1I70 Y291 D427 K428I70-K75 HydrophobicContact CG2-CG 3.78Å; K75-Y291 HydrophobicContact CB-CD1 3.87Å; K75-Y291 HydrophobicContact CB-CE1 4.39Å; K75-Y291 HydrophobicContact CB-CG 4.31Å; K75-Y291 HydrophobicContact CD-CD1 3.9Å; K75-Y291 HydrophobicContact CD-CE1 3.6Å; K75-Y291 HydrophobicContact CG-CD1 3.6Å; K75-Y291 HydrophobicContact CG-CE1 3.62Å; K75-Y291 HydrophobicContact CG-CG 4.2Å; K75-D427 IonicContact NZ-OD1 3.86Å; K75-D427 PolarHBondContact NZ-OD1 2.69Å; K75-D427 IonicContact NZ-OD2 2.68Å; K75-K428 WeakPolarHBondContact CD-O 3.09Å; K75-K428 PolarHBondContact NZ-O 2.97Å
76T83.2Confident85.8Confident58 Ų5856.6 Ų56.636%0.35631%0.307SS..SBendtrans-95.9136.8174.855.20000110.1R63 T73 D74R63-T76 VanDerWaalsContact CZ-OG1 3.3Å; R63-T76 PolarHBondContact NH1-OG1 3.38Å; T73-T76 PolarHBondContact O-OG1 3.06Å; D74-T76 VanDerWaalsContact C-N 3.27Å; D74-T76 PolarHBondContact O-N 3.36Å
77N84.9Confident85.8Confident30 Ų3058 Ų5816%0.1632%0.315CS..  trans-87.3143.1179.6-57.4-76000110.1W64 N79 D80 Y291W64-N77 PolarHBondContact NE1-OD1 2.99Å; N77-N79 PolarHBondContact O-N 3Å; N77-D80 WeakPolarHBondContact CB-OD2 3.37Å; N77-D80 PolarHBondContact N-OD2 2.92Å; N77-D80 VanDerWaalsContact O-CB 3.32Å; N77-D80 WeakPolarHBondContact O-CB 3.42Å; N77-D80 PolarHBondContact O-N 3.27Å; N77-Y291 PolarHBondContact ND2-O 3.16Å
78L86.7Confident86.1Confident14 Ų1457.3 Ų57.37%0.07331%0.314CS..Hα-helixtrans-66.4-29.5-175.5-176.761.3000112.2L48 V60 E62 D80 L81 I82L48-L78 HydrophobicContact CD1-CD1 3.63Å; V60-L78 HydrophobicContact CB-CD2 4.18Å; V60-L78 HydrophobicContact CG1-CD2 3.23Å; E62-L78 WeakPolarHBondContact OE2-CB 3.37Å; E62-L78 PolarHBondContact OE2-N 3.46Å; L78-D80 PolarHBondContact O-N 2.91Å; L78-L81 HydrophobicContact CD1-CB 4.25Å; L78-L81 HydrophobicContact CD1-CD2 3.86Å; L78-L81 PolarHBondContact O-N 3.31Å; L78-I82 HydrophobicContact CD1-CG1 4.25Å; L78-I82 HydrophobicContact CG-CG1 4Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 1.88Å
79N83.4Confident87Confident28 Ų2848.9 Ų48.915%0.1527%0.274CS..Hα-helixtrans-55-31.1171.4-78.713.1000112.7N77 G83 R114 F115N77-N79 PolarHBondContact O-N 3Å; N79-G83 PolarHBondContact O-N 2.96Å; N79-R114 WeakPolarHBondContact OD1-CD 3.37Å; N79-R114 WeakPolarHBondContact OD1-CG 3.33Å; N79-F115 HydrophobicContact CB-CD2 4.36Å
80D83.6Confident87.6Confident70 Ų7044 Ų4437%0.37424%0.24SC..Hα-helixtrans-72.5-31.8178.9-54.4-43.3000111.8N77 L78 K84N77-D80 WeakPolarHBondContact CB-OD2 3.37Å; N77-D80 PolarHBondContact N-OD2 2.92Å; N77-D80 VanDerWaalsContact O-CB 3.32Å; N77-D80 WeakPolarHBondContact O-CB 3.42Å; N77-D80 PolarHBondContact O-N 3.27Å; L78-D80 PolarHBondContact O-N 2.91Å; D80-K84 WeakPolarHBondContact O-CD 3.41Å; D80-K84 WeakPolarHBondContact O-CG 3.44Å
81L88.4Confident88Confident29 Ų2944.7 Ų44.715%0.15224%0.244CC..Hα-helixtrans-78.1-48.6175.2-179.371.8000111E44 L45 L48 L78 G83 K84 N85E44-L81 HydrophobicContact CB-CD2 4.47Å; E44-L81 VanDerWaalsContact CD-CD2 3.43Å; E44-L81 HydrophobicContact CG-CD2 3.87Å; L45-L81 HydrophobicContact CD2-CD2 3.8Å; L45-L81 HydrophobicContact CD2-CG 4.03Å; L45-L81 HydrophobicContact CG-CD2 4.16Å; L45-L81 HydrophobicContact CG-CG 4.29Å; L48-L81 HydrophobicContact CD1-CD2 4.07Å; L78-L81 HydrophobicContact CD1-CB 4.25Å; L78-L81 HydrophobicContact CD1-CD2 3.86Å; L78-L81 PolarHBondContact O-N 3.31Å; L81-G83 PolarHBondContact O-N 2.75Å; L81-K84 PolarHBondContact O-N 3.01Å; L81-N85 PolarHBondContact O-N 3.1Å; L81-N85 PolarHBondContact O-ND2 2.84Å
82I90.6Very high88.5Confident2 Ų242.7 Ų42.71%0.0123%0.23CC..Hα-helixtrans-61.5-44.5178.7-63.5-67.3000110.1L45 L78 K84 N85 L86 L89 L111 V112 F115L45-I82 HydrophobicContact CD2-CD1 3.91Å; L78-I82 HydrophobicContact CD1-CG1 4.25Å; L78-I82 HydrophobicContact CG-CG1 4Å; L78-I82 WeakPolarHBondContact O-CG1 3.24Å; L78-I82 PolarHBondContact O-N 1.88Å; I82-K84 PolarHBondContact O-N 2.73Å; I82-N85 CarbonylContact O-C 3.5Å; I82-N85 PolarHBondContact O-N 2.72Å; I82-L86 WeakPolarHBondContact O-CA 3.21Å; I82-L86 WeakPolarHBondContact O-CB 3.35Å; I82-L86 PolarHBondContact O-N 3.13Å; I82-L89 HydrophobicContact CD1-CD1 3.75Å; I82-L89 HydrophobicContact CG2-CD1 4.18Å; I82-L111 HydrophobicContact CD1-CB 4.25Å; I82-V112 HydrophobicContact CG2-CG1 4.3Å; I82-F115 HydrophobicContact CG2-CB 3.68Å; I82-F115 HydrophobicContact CG2-CD2 4.37Å; I82-F115 HydrophobicContact CG2-CG 4.1Å
83G86.8Confident89.2Confident20 Ų2037.5 Ų37.521%0.20620%0.197CC..Hα-helixtrans-61.6-39.3178.800000113.9N79 L81 N85N79-G83 PolarHBondContact O-N 2.96Å; L81-G83 PolarHBondContact O-N 2.75Å; G83-N85 VanDerWaalsContact C-N 3.3Å; G83-N85 PolarHBondContact O-N 3.31Å
84K87.8Confident89.8Confident169 Ų16935.7 Ų35.774%0.73518%0.181SC*.Hα-helixtrans-67.7-27.4177.2-75.4169.7-169.8168.80113.8D80 L81 I82D80-K84 WeakPolarHBondContact O-CD 3.41Å; D80-K84 WeakPolarHBondContact O-CG 3.44Å; L81-K84 PolarHBondContact O-N 3.01Å; I82-K84 PolarHBondContact O-N 2.73Å
85N91.8Very high90.3Very high29 Ų2935.2 Ų35.216%0.15518%0.179CC..Hα-helixtrans-116.711.8-174-58.1-78.4000112.9L45 L81 I82 G83 Q87 Q88 L89L45-N85 HydrophobicContact CD1-CB 3.4Å; L81-N85 PolarHBondContact O-N 3.1Å; L81-N85 PolarHBondContact O-ND2 2.84Å; I82-N85 CarbonylContact O-C 3.5Å; I82-N85 PolarHBondContact O-N 2.72Å; G83-N85 VanDerWaalsContact C-N 3.3Å; G83-N85 PolarHBondContact O-N 3.31Å; N85-Q87 PolarHBondContact O-N 2.86Å; N85-Q87 VanDerWaalsContact O-N 3.16Å; N85-Q88 WeakPolarHBondContact O-CB 3.43Å; N85-Q88 PolarHBondContact O-N 3.39Å; N85-L89 PolarHBondContact O-N 3.39Å; N85-L89 VanDerWaalsContact O-N 3.14Å
86L90.8Very high90.8Very high5 Ų534 Ų343%0.02617%0.173CC..Hα-helixtrans-57.2-36.8-172.1-177.361.6000112.6V6 I82 L89 L90 V112 F115 L116V6-L86 HydrophobicContact CG1-CD2 4.39Å; V6-L86 HydrophobicContact CG2-CD2 3.51Å; V6-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CA 3.21Å; I82-L86 WeakPolarHBondContact O-CB 3.35Å; I82-L86 PolarHBondContact O-N 3.13Å; L86-L89 PolarHBondContact O-N 3.18Å; L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.94Å; L86-L90 HydrophobicContact CG-CG 4.34Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 3.4Å; L86-V112 HydrophobicContact CD1-CB 4.28Å; L86-V112 HydrophobicContact CD1-CG1 3.9Å; L86-F115 HydrophobicContact CD1-CD1 4.45Å; L86-F115 HydrophobicContact CD2-CD1 3.7Å; L86-F115 HydrophobicContact CD2-CE1 3.55Å; L86-L116 HydrophobicContact CD1-CD2 4.37Å; L86-L116 HydrophobicContact CD2-CD2 4.48Å
87Q91.1Very high91.4Very high78 Ų7831.9 Ų31.936%0.36416%0.16SC..Hα-helixtrans-57.2-51.9174.8-175.959.350.500111.7N85 L89 L90 D91N85-Q87 PolarHBondContact O-N 2.86Å; N85-Q87 VanDerWaalsContact O-N 3.16Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 2.88Å; Q87-L90 PolarHBondContact O-N 2.88Å; Q87-L90 VanDerWaalsContact O-N 3.14Å; Q87-D91 WeakPolarHBondContact CG-OD2 3.26Å; Q87-D91 VanDerWaalsContact NE2-CG 3.32Å; Q87-D91 PolarHBondContact NE2-OD1 2.97Å; Q87-D91 PolarHBondContact NE2-OD2 3.26Å; Q87-D91 WeakPolarHBondContact O-CB 3.38Å; Q87-D91 PolarHBondContact O-N 3.43Å
88Q93.2Very high91.8Very high75 Ų7534.1 Ų34.135%0.3517%0.17SC..Hα-helixtrans-61.6-38.8-179.6-60.6171.2500111.5L41 N85 D91 L92L41-Q88 HydrophobicContact CD2-CB 4.38Å; N85-Q88 WeakPolarHBondContact O-CB 3.43Å; N85-Q88 PolarHBondContact O-N 3.39Å; Q88-D91 PolarHBondContact O-N 3.48Å; Q88-L92 WeakPolarHBondContact O-CB 3.47Å; Q88-L92 PolarHBondContact O-N 2.85Å
89L95.6Very high92.1Very high0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-67.3-39.4176.1-66.7169.8000111.8L41 L45 I82 N85 L86 Q87 L92 L93 V108 V112L41-L89 HydrophobicContact CD2-CD2 4.06Å; L45-L89 HydrophobicContact CD2-CD1 4.44Å; I82-L89 HydrophobicContact CD1-CD1 3.75Å; I82-L89 HydrophobicContact CG2-CD1 4.18Å; N85-L89 PolarHBondContact O-N 3.39Å; N85-L89 VanDerWaalsContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 3.18Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 3Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.05Å; L89-V108 HydrophobicContact CB-CG1 4.35Å; L89-V108 VanDerWaalsContact O-CG1 3.29Å; L89-V108 WeakPolarHBondContact O-CG1 3.07Å; L89-V112 HydrophobicContact CB-CG1 3.88Å; L89-V112 HydrophobicContact CD1-CG1 3.9Å; L89-V112 HydrophobicContact CG-CG1 4.48Å
90L94.9Very high92.6Very high2 Ų235.5 Ų35.51%0.0118%0.177CC..Hα-helixtrans-72.8-34.5175.9-67.3173.6000112.6V6 L9 L10 L86 Q87 L92 L93 K94V6-L90 HydrophobicContact CB-CD1 4.32Å; V6-L90 HydrophobicContact CG1-CD1 3.86Å; V6-L90 HydrophobicContact CG2-CD1 4.08Å; L9-L90 HydrophobicContact CB-CB 4.45Å; L9-L90 HydrophobicContact CB-CD1 4.1Å; L9-L90 HydrophobicContact CD1-CD1 4.17Å; L10-L90 HydrophobicContact CD2-CD2 3.74Å; L10-L90 HydrophobicContact CG-CD2 4.25Å; L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.17Å; L86-L90 HydrophobicContact CG-CD1 3.94Å; L86-L90 HydrophobicContact CG-CG 4.34Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 3.4Å; Q87-L90 PolarHBondContact O-N 2.88Å; Q87-L90 VanDerWaalsContact O-N 3.14Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L93 HydrophobicContact CD2-CD2 4.35Å; L90-L93 PolarHBondContact O-N 3.06Å; L90-K94 PolarHBondContact O-N 3.38Å
91D93.5Very high93.2Very high52 Ų5236 Ų3628%0.27818%0.177SC..Hα-helixtrans-66.7-36.1172-71.5-42.8000111.7Q87 Q88 S95Q87-D91 WeakPolarHBondContact CG-OD2 3.26Å; Q87-D91 VanDerWaalsContact NE2-CG 3.32Å; Q87-D91 PolarHBondContact NE2-OD1 2.97Å; Q87-D91 PolarHBondContact NE2-OD2 3.26Å; Q87-D91 WeakPolarHBondContact O-CB 3.38Å; Q87-D91 PolarHBondContact O-N 3.43Å; Q88-D91 PolarHBondContact O-N 3.48Å; D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 PolarHBondContact O-OG 2.75Å
92L96.5Very high93.4Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-68.7-39.4170.5-177.658000112Y34 C37 R38 L41 L49 Q88 L89 L90 S95 S96 V108Y34-L92 HydrophobicContact CD2-CD1 3.9Å; Y34-L92 HydrophobicContact CE2-CD1 3.94Å; C37-L92 HydrophobicContact CB-CB 4.36Å; C37-L92 HydrophobicContact CB-CD1 3.92Å; R38-L92 HydrophobicContact CB-CD1 3.98Å; L41-L92 HydrophobicContact CD1-CD2 3.74Å; L41-L92 HydrophobicContact CG-CD2 4.3Å; L49-L92 HydrophobicContact CD2-CD2 3.73Å; Q88-L92 WeakPolarHBondContact O-CB 3.47Å; Q88-L92 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L92-S95 WeakPolarHBondContact CA-OG 3.44Å; L92-S95 PolarHBondContact O-N 2.78Å; L92-S95 PolarHBondContact O-OG 2.93Å; L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.37Å; L92-S96 PolarHBondContact O-N 2.71Å; L92-S96 PolarHBondContact O-OG 2.98Å; L92-V108 HydrophobicContact CD2-CG2 3.9Å; L92-V108 HydrophobicContact CG-CG2 4.07Å
93L97.1Very high93.6Very high0 Ų039.6 Ų39.60%019%0.194CC..Hα-helixtrans-60.5-49.7173.3-178.357000110.9C13 L89 L90 S95 S96 I97 S105 V108 M109C13-L93 HydrophobicContact CB-CD2 4.46Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.05Å; L90-L93 HydrophobicContact CD2-CD2 4.35Å; L90-L93 PolarHBondContact O-N 3.06Å; L93-S95 PolarHBondContact O-N 3.49Å; L93-S96 PolarHBondContact O-N 3.49Å; L93-S96 PolarHBondContact O-OG 2.95Å; L93-S96 VanDerWaalsContact O-OG 3.13Å; L93-I97 HydrophobicContact CD1-CD1 3.78Å; L93-I97 HydrophobicContact CD1-CG1 4.19Å; L93-I97 HydrophobicContact CG-CD1 3.88Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 WeakPolarHBondContact O-CD1 3.17Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 3.32Å; L93-S105 WeakPolarHBondContact CD1-O 3.43Å; L93-V108 HydrophobicContact CB-CG1 3.94Å; L93-M109 HydrophobicContact CD1-CG 3.62Å; L93-M109 HydrophobicContact CD1-SD 4.14Å; L93-M109 HydrophobicContact CD2-CG 3.93Å; L93-M109 HydrophobicContact CG-CG 4.46Å
94K95.6Very high94.1Very high52 Ų5238.8 Ų38.823%0.22619%0.185CC..Hα-helixtrans-60.3-45.6178.4-165.7177.7-175.2-178.50111.6D12 L90 M98D12-K94 HydrophobicContact CB-CD 4.11Å; D12-K94 VanDerWaalsContact CG-NZ 3.27Å; D12-K94 IonicContact OD2-NZ 3.25Å; D12-K94 PolarHBondContact OD2-NZ 2.85Å; L90-K94 PolarHBondContact O-N 3.38Å; K94-M98 HydrophobicContact CG-SD 4.33Å; K94-M98 VanDerWaalsContact O-CG 3.29Å; K94-M98 WeakPolarHBondContact O-CG 3.29Å; K94-M98 PolarHBondContact O-N 3.29Å; K94-M98 VanDerWaalsContact O-N 3.09Å
95S95.4Very high94.6Very high2 Ų230.8 Ų30.81%0.01415%0.15CC..Hα-helixtrans-72.8-33.4-17855.70000113.9D91 L92 L93 A99D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 PolarHBondContact O-OG 2.75Å; L92-S95 WeakPolarHBondContact CA-OG 3.44Å; L92-S95 PolarHBondContact O-N 2.78Å; L92-S95 PolarHBondContact O-OG 2.93Å; L93-S95 PolarHBondContact O-N 3.49Å; S95-A99 WeakPolarHBondContact O-CB 3.38Å; S95-A99 PolarHBondContact O-N 3.09Å
96S96.3Very high94.8Very high0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-70.8-37.2173.351.80000112.8L92 L93 A99 Q100 E101 S105L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.37Å; L92-S96 PolarHBondContact O-N 2.71Å; L92-S96 PolarHBondContact O-OG 2.98Å; L93-S96 PolarHBondContact O-N 3.49Å; L93-S96 PolarHBondContact O-OG 2.95Å; L93-S96 VanDerWaalsContact O-OG 3.13Å; S96-A99 PolarHBondContact O-N 2.88Å; S96-Q100 PolarHBondContact O-N 2.71Å; S96-E101 PolarHBondContact O-N 2.77Å; S96-S105 PolarHBondContact OG-OG 2.78Å
97I95.4Very high95.1Very high13 Ų1329.9 Ų29.97%0.06715%0.146CC..Hα-helixtrans-60.1-51.4170.9-68.1166.4000110.3C13 A16 A17 L93 A99 Q100 S105 I128 L132C13-I97 HydrophobicContact CB-CD1 4.13Å; A16-I97 HydrophobicContact CB-CG2 3.86Å; A17-I97 HydrophobicContact CB-CG2 4.16Å; L93-I97 HydrophobicContact CD1-CD1 3.78Å; L93-I97 HydrophobicContact CD1-CG1 4.19Å; L93-I97 HydrophobicContact CG-CD1 3.88Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 WeakPolarHBondContact O-CD1 3.17Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 3.32Å; I97-A99 VanDerWaalsContact C-N 3.28Å; I97-A99 PolarHBondContact O-N 2.69Å; I97-Q100 PolarHBondContact O-N 2.97Å; I97-S105 PolarHBondContact N-OG 3.48Å; I97-I128 HydrophobicContact CD1-CG2 3.91Å; I97-L132 HydrophobicContact CG1-CD1 4.43Å; I97-L132 HydrophobicContact CG1-CD2 4.44Å
98M93Very high95.4Very high77 Ų7726.1 Ų26.138%0.37913%0.128SC..Hα-helixtrans-63.7-30.6178.7-67.9179.377.900113.3A16 V30 K94 Q100A16-M98 HydrophobicContact CB-CG 4.04Å; V30-M98 HydrophobicContact CG1-CB 3.86Å; V30-M98 HydrophobicContact CG2-CE 4.46Å; K94-M98 HydrophobicContact CG-SD 4.33Å; K94-M98 VanDerWaalsContact O-CG 3.29Å; K94-M98 WeakPolarHBondContact O-CG 3.29Å; K94-M98 PolarHBondContact O-N 3.29Å; K94-M98 VanDerWaalsContact O-N 3.09Å; M98-Q100 VanDerWaalsContact C-N 3.26Å; M98-Q100 PolarHBondContact O-N 2.83Å
99A93.9Very high95.6Very high9 Ų922.6 Ų22.67%0.07411%0.112CC..THydrogen-bonded Turntrans-80.8-0.5175.200000113.9V30 Y34 S95 S96 I97 E101V30-A99 HydrophobicContact CG1-CB 4.15Å; Y34-A99 HydrophobicContact CD1-CB 4.1Å; Y34-A99 HydrophobicContact CG-CB 3.98Å; S95-A99 WeakPolarHBondContact O-CB 3.38Å; S95-A99 PolarHBondContact O-N 3.09Å; S96-A99 PolarHBondContact O-N 2.88Å; I97-A99 VanDerWaalsContact C-N 3.28Å; I97-A99 PolarHBondContact O-N 2.69Å; A99-E101 VanDerWaalsContact C-N 3.33Å; A99-E101 HydrophobicContact CB-CG 3.88Å
100Q93.5Very high95.7Very high62 Ų6222.7 Ų22.729%0.2911%0.112SC..THydrogen-bonded Turntrans57.243.7-175.2-59.4175.833.700112.6I26 S96 I97 M98 P102 Y136I26-Q100 HydrophobicContact CD1-CB 3.83Å; I26-Q100 HydrophobicContact CD1-CG 3.85Å; I26-Q100 HydrophobicContact CG1-CG 4.47Å; S96-Q100 PolarHBondContact O-N 2.71Å; I97-Q100 PolarHBondContact O-N 2.97Å; M98-Q100 VanDerWaalsContact C-N 3.26Å; M98-Q100 PolarHBondContact O-N 2.83Å; Q100-P102 VanDerWaalsContact C-CD 3.41Å; Q100-P102 WeakPolarHBondContact O-CD 3.21Å; Q100-Y136 WeakPolarHBondContact CB-OH 3.37Å
101E95.2Very high95.8Very high81 Ų8122.8 Ų22.838%0.37911%0.113SC..  trans-109.474.6-179.1-67.9-85.5-162.700109.9Y34 S96 A99 Q103 S105Y34-E101 HydrophobicContact CD1-CG 4.02Å; Y34-E101 HydrophobicContact CE1-CB 4.26Å; Y34-E101 HydrophobicContact CE1-CG 3.52Å; Y34-E101 WeakPolarHBondContact CE1-OE1 3.46Å; Y34-E101 HydrophobicContact CE2-CB 4.38Å; Y34-E101 HydrophobicContact CE2-CG 4.46Å; S96-E101 PolarHBondContact O-N 2.77Å; A99-E101 VanDerWaalsContact C-N 3.33Å; A99-E101 HydrophobicContact CB-CG 3.88Å; E101-Q103 PolarHBondContact O-N 2.9Å; E101-S105 PolarHBondContact O-N 2.93Å; E101-S105 PolarHBondContact O-OG 2.9Å
102P93.7Very high95.9Very high12 Ų1220.3 Ų20.38%0.07810%0.099CC..Hα-helixtrans-71.6-28.2-167.929-38000114Q100 S105 L106 Y136 Q139Q100-P102 VanDerWaalsContact C-CD 3.41Å; Q100-P102 WeakPolarHBondContact O-CD 3.21Å; P102-S105 WeakPolarHBondContact O-CB 3.35Å; P102-S105 PolarHBondContact O-N 3.44Å; P102-L106 WeakPolarHBondContact O-CB 3.37Å; P102-L106 WeakPolarHBondContact O-CG 3.13Å; P102-L106 PolarHBondContact O-N 3.38Å; P102-Y136 HydrophobicContact CB-CD1 4.32Å; P102-Y136 HydrophobicContact CB-CD2 3.58Å; P102-Y136 HydrophobicContact CB-CE2 3.9Å; P102-Y136 HydrophobicContact CB-CG 3.79Å; P102-Y136 HydrophobicContact CG-CD1 3.87Å; P102-Y136 HydrophobicContact CG-CD2 4.05Å; P102-Y136 HydrophobicContact CG-CE1 4.07Å; P102-Y136 HydrophobicContact CG-CE2 4.25Å; P102-Y136 HydrophobicContact CG-CG 3.84Å; P102-Q139 HydrophobicContact CB-CG 4.12Å; P102-Q139 HydrophobicContact CG-CG 3.95Å
103Q95.3Very high95.9Very high93 Ų9320.3 Ų20.344%0.43510%0.099SC..Hα-helixtrans-62.6-52.5176.8-173-179.93.500110.1E53 E101 S105 L106 A107E53-Q103 HydrophobicContact CB-CG 4.28Å; E53-Q103 HydrophobicContact CG-CG 4.26Å; E53-Q103 PolarHBondContact O-NE2 2.98Å; E101-Q103 PolarHBondContact O-N 2.9Å; Q103-S105 VanDerWaalsContact C-N 3.32Å; Q103-S105 PolarHBondContact O-N 3.4Å; Q103-L106 PolarHBondContact O-N 2.83Å; Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.96Å
104T96.9Very high95.6Very high4 Ų421.9 Ų21.93%0.02511%0.106CC..Hα-helixtrans-59.1-43.2174-44.20000111.6Y34 R38 L49 E53 A107 V108Y34-T104 HydrophobicContact CE2-CG2 3.92Å; Y34-T104 PolarHBondContact OH-OG1 3.2Å; R38-T104 PolarHBondContact NH1-OG1 3.39Å; R38-T104 VanDerWaalsContact NH1-OG1 3.15Å; L49-T104 HydrophobicContact CD1-CG2 4.41Å; L49-T104 HydrophobicContact CD2-CG2 4.22Å; E53-T104 WeakPolarHBondContact OE1-CA 3.31Å; E53-T104 WeakPolarHBondContact OE1-CG2 3.41Å; E53-T104 PolarHBondContact OE1-OG1 3.06Å; T104-A107 PolarHBondContact O-N 2.99Å; T104-V108 HydrophobicContact CG2-CG2 4.44Å; T104-V108 WeakPolarHBondContact O-CG2 3.45Å; T104-V108 PolarHBondContact O-N 3.31Å
105S97.1Very high95.3Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-56.7-54.2178-56.80000111L93 S96 I97 E101 P102 Q103 A107 V108 M109L93-S105 WeakPolarHBondContact CD1-O 3.43Å; S96-S105 PolarHBondContact OG-OG 2.78Å; I97-S105 PolarHBondContact N-OG 3.48Å; E101-S105 PolarHBondContact O-N 2.93Å; E101-S105 PolarHBondContact O-OG 2.9Å; P102-S105 WeakPolarHBondContact O-CB 3.35Å; P102-S105 PolarHBondContact O-N 3.44Å; Q103-S105 VanDerWaalsContact C-N 3.32Å; Q103-S105 PolarHBondContact O-N 3.4Å; S105-A107 PolarHBondContact O-N 3.13Å; S105-V108 PolarHBondContact O-N 3.11Å; S105-M109 WeakPolarHBondContact O-CG 3.48Å; S105-M109 PolarHBondContact O-N 3.28Å
106L96.9Very high95.1Very high10 Ų1019.5 Ų19.55%0.05210%0.095CC..Hα-helixtrans-67-35-178.9-69.7170.4000112.7P102 Q103 M109 F110 T129 L132 Q139 I141P102-L106 WeakPolarHBondContact O-CB 3.37Å; P102-L106 WeakPolarHBondContact O-CG 3.13Å; P102-L106 PolarHBondContact O-N 3.38Å; Q103-L106 PolarHBondContact O-N 2.83Å; L106-M109 HydrophobicContact CD2-SD 4.26Å; L106-M109 PolarHBondContact O-N 2.82Å; L106-F110 WeakPolarHBondContact O-CB 3.25Å; L106-F110 PolarHBondContact O-N 2.97Å; L106-T129 HydrophobicContact CD2-CG2 4.34Å; L106-L132 HydrophobicContact CD2-CB 4.25Å; L106-L132 HydrophobicContact CD2-CD1 4.19Å; L106-L132 HydrophobicContact CG-CD1 4.48Å; L106-Q139 HydrophobicContact CD1-CB 3.76Å; L106-I141 HydrophobicContact CD1-CG1 4.22Å; L106-I141 HydrophobicContact CD2-CG1 4.33Å
107A97.6Very high94.7Very high5 Ų520.9 Ų20.94%0.04110%0.1CC..Hα-helixtrans-66.2-43.8175.100000112.4L49 A52 E53 Q103 T104 S105 M109 F110 L111L49-A107 HydrophobicContact CD1-CB 3.74Å; A52-A107 HydrophobicContact CB-CB 3.88Å; E53-A107 HydrophobicContact CB-CB 4.34Å; E53-A107 HydrophobicContact CG-CB 3.43Å; E53-A107 VanDerWaalsContact CG-CB 3.43Å; Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.96Å; T104-A107 PolarHBondContact O-N 2.99Å; S105-A107 PolarHBondContact O-N 3.13Å; A107-M109 VanDerWaalsContact C-N 3.34Å; A107-M109 PolarHBondContact O-N 3.05Å; A107-F110 WeakPolarHBondContact O-CB 3.12Å; A107-F110 PolarHBondContact O-N 3.45Å; A107-L111 PolarHBondContact O-N 2.93Å; A107-L111 VanDerWaalsContact O-N 3.09Å
108V97.5Very high93.9Very high0 Ų021.9 Ų21.90%010%0.103CC..Hα-helixtrans-60-45.4171.9171.70000110.6L49 L89 L92 L93 T104 S105 F110 L111 V112L49-V108 HydrophobicContact CD1-CG2 3.67Å; L89-V108 HydrophobicContact CB-CG1 4.35Å; L89-V108 VanDerWaalsContact O-CG1 3.29Å; L89-V108 WeakPolarHBondContact O-CG1 3.07Å; L92-V108 HydrophobicContact CD2-CG2 3.9Å; L92-V108 HydrophobicContact CG-CG2 4.07Å; L93-V108 HydrophobicContact CB-CG1 3.94Å; T104-V108 HydrophobicContact CG2-CG2 4.44Å; T104-V108 WeakPolarHBondContact O-CG2 3.45Å; T104-V108 PolarHBondContact O-N 3.31Å; S105-V108 PolarHBondContact O-N 3.11Å; V108-F110 VanDerWaalsContact C-N 3.29Å; V108-F110 PolarHBondContact O-N 2.93Å; V108-L111 PolarHBondContact O-N 2.78Å; V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.89Å
109M96.9Very high93.3Very high0 Ų018.6 Ų18.60%09%0.087CC..Hα-helixtrans-59.6-38177.4-66.9176.589.700112.8L93 S105 L106 A107 D113 L125 I128 T129 L132 L145L93-M109 HydrophobicContact CD1-CG 3.62Å; L93-M109 HydrophobicContact CD1-SD 4.14Å; L93-M109 HydrophobicContact CD2-CG 3.93Å; L93-M109 HydrophobicContact CG-CG 4.46Å; S105-M109 WeakPolarHBondContact O-CG 3.48Å; S105-M109 PolarHBondContact O-N 3.28Å; L106-M109 HydrophobicContact CD2-SD 4.26Å; L106-M109 PolarHBondContact O-N 2.82Å; A107-M109 VanDerWaalsContact C-N 3.34Å; A107-M109 PolarHBondContact O-N 3.05Å; M109-D113 VanDerWaalsContact O-CB 3.29Å; M109-D113 WeakPolarHBondContact O-CB 3.24Å; M109-D113 PolarHBondContact O-N 3.35Å; M109-L125 HydrophobicContact CB-CD1 4.07Å; M109-L125 HydrophobicContact CE-CD1 3.46Å; M109-L125 VanDerWaalsContact CE-CD1 3.46Å; M109-L125 HydrophobicContact CE-CG 3.88Å; M109-L125 WeakPolarHBondContact CE-O 3.26Å; M109-L125 HydrophobicContact CG-CD1 3.9Å; M109-I128 HydrophobicContact CE-CB 3.53Å; M109-I128 HydrophobicContact CE-CG2 3.56Å; M109-I128 HydrophobicContact SD-CG2 4Å; M109-T129 WeakPolarHBondContact CE-OG1 3.34Å; M109-L132 HydrophobicContact SD-CD1 3.78Å; M109-L145 HydrophobicContact CB-CD1 4.5Å
110F97.6Very high92.7Very high3 Ų320.9 Ų20.91%0.01310%0.098CC..Hα-helixtrans-65.1-41176-179.4-161.3000112.1A52 W57 P58 V60 L106 A107 V108 A142 Q144 L145 W179A52-F110 HydrophobicContact CB-CD1 4.14Å; W57-F110 AromaticContact CE3-CE1 3.57Å; W57-F110 HydrophobicContact CE3-CE1 3.57Å; W57-F110 HydrophobicContact CE3-CE2 4.37Å; W57-F110 AromaticContact CE3-CZ 3.46Å; W57-F110 HydrophobicContact CE3-CZ 3.46Å; W57-F110 VanDerWaalsContact CE3-CZ 3.46Å; W57-F110 HydrophobicContact CH2-CE1 4.35Å; W57-F110 AromaticContact CZ3-CD1 3.84Å; W57-F110 HydrophobicContact CZ3-CD1 3.84Å; W57-F110 AromaticContact CZ3-CE1 3.26Å; W57-F110 HydrophobicContact CZ3-CE1 3.26Å; W57-F110 HydrophobicContact CZ3-CE2 4.05Å; W57-F110 HydrophobicContact CZ3-CG 4.47Å; W57-F110 AromaticContact CZ3-CZ 3.39Å; W57-F110 HydrophobicContact CZ3-CZ 3.39Å; W57-F110 WeakPolarHBondContact O-CE1 3.39Å; W57-F110 WeakPolarHBondContact O-CZ 3.26Å; P58-F110 WeakPolarHBondContact O-CZ 3.33Å; V60-F110 HydrophobicContact CG2-CD2 3.94Å; V60-F110 HydrophobicContact CG2-CE2 3.85Å; V60-F110 HydrophobicContact CG2-CZ 4.48Å; V60-F110 WeakPolarHBondContact CG2-O 3.24Å; L106-F110 WeakPolarHBondContact O-CB 3.25Å; L106-F110 PolarHBondContact O-N 2.97Å; A107-F110 WeakPolarHBondContact O-CB 3.12Å; A107-F110 PolarHBondContact O-N 3.45Å; V108-F110 VanDerWaalsContact C-N 3.29Å; V108-F110 PolarHBondContact O-N 2.93Å; F110-A142 HydrophobicContact CB-CB 4.1Å; F110-A142 HydrophobicContact CD1-CB 3.51Å; F110-A142 HydrophobicContact CD2-CB 3.42Å; F110-A142 VanDerWaalsContact CD2-CB 3.42Å; F110-A142 HydrophobicContact CE1-CB 3.6Å; F110-A142 HydrophobicContact CE2-CB 3.55Å; F110-A142 HydrophobicContact CG-CB 3.4Å; F110-A142 VanDerWaalsContact CG-CB 3.4Å; F110-A142 HydrophobicContact CZ-CB 3.61Å; F110-Q144 HydrophobicContact CD2-CB 4.01Å; F110-Q144 HydrophobicContact CE2-CB 3.56Å; F110-Q144 HydrophobicContact CE2-CG 4.3Å; F110-Q144 PolarHBondContact O-NE2 3.44Å; F110-L145 HydrophobicContact CB-CD1 4.42Å; F110-W179 AromaticContact CD1-CH2 3.99Å; F110-W179 HydrophobicContact CD1-CH2 3.99Å; F110-W179 AromaticContact CE1-CH2 3.54Å; F110-W179 HydrophobicContact CE1-CH2 3.54Å; F110-W179 HydrophobicContact CE1-CZ2 4Å; F110-W179 HydrophobicContact CE1-CZ3 4.5Å; F110-W179 HydrophobicContact CZ-CH2 4.42Å
111L96.9Very high92.4Very high3 Ų318.4 Ų18.42%0.0169%0.087CC..Hα-helixtrans-64.1-48.9173.5-68.2176.6000112.3L48 L49 A52 W57 V60 I82 A107 V108L48-L111 HydrophobicContact CB-CD1 4.41Å; L48-L111 HydrophobicContact CB-CD2 4.07Å; L49-L111 HydrophobicContact CB-CD1 4.21Å; L49-L111 HydrophobicContact CD1-CD1 4.41Å; A52-L111 HydrophobicContact CB-CD2 4.45Å; A52-L111 HydrophobicContact CB-CG 4.37Å; W57-L111 HydrophobicContact CH2-CD2 3.91Å; V60-L111 HydrophobicContact CG1-CD2 3.91Å; V60-L111 HydrophobicContact CG2-CD2 4.45Å; I82-L111 HydrophobicContact CD1-CB 4.25Å; A107-L111 PolarHBondContact O-N 2.93Å; A107-L111 VanDerWaalsContact O-N 3.09Å; V108-L111 PolarHBondContact O-N 2.78Å
112V96Very high92.2Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-77.7-19.7-175.8-60.40000114.1I82 L86 L89 V108 R114 F115 L116 L125I82-V112 HydrophobicContact CG2-CG1 4.3Å; L86-V112 HydrophobicContact CD1-CB 4.28Å; L86-V112 HydrophobicContact CD1-CG1 3.9Å; L89-V112 HydrophobicContact CB-CG1 3.88Å; L89-V112 HydrophobicContact CD1-CG1 3.9Å; L89-V112 HydrophobicContact CG-CG1 4.48Å; V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.89Å; V112-R114 VanDerWaalsContact C-N 3.28Å; V112-R114 PolarHBondContact O-N 3.4Å; V112-R114 VanDerWaalsContact O-N 3.13Å; V112-F115 CarbonylContact O-C 3.54Å; V112-F115 WeakPolarHBondContact O-CA 3.5Å; V112-F115 PolarHBondContact O-N 3.01Å; V112-L116 HydrophobicContact CB-CD1 3.98Å; V112-L116 HydrophobicContact CB-CG 4.14Å; V112-L116 HydrophobicContact CG2-CD1 3.49Å; V112-L116 VanDerWaalsContact CG2-CD1 3.49Å; V112-L116 HydrophobicContact CG2-CG 4.19Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 2.82Å; V112-L125 HydrophobicContact CG2-CD1 4.19Å
113D95.8Very high92Very high0 Ų020.8 Ų20.80%09%0.091CC..Hα-helixtrans-48.1-44.1-176.6162.774.9000114.2M109 F115 L116 Y117 L125 Q144 L145 R148M109-D113 VanDerWaalsContact O-CB 3.29Å; M109-D113 WeakPolarHBondContact O-CB 3.24Å; M109-D113 PolarHBondContact O-N 3.35Å; D113-F115 VanDerWaalsContact C-N 3.33Å; D113-F115 PolarHBondContact O-N 3.49Å; D113-L116 PolarHBondContact O-N 2.87Å; D113-Y117 WeakPolarHBondContact O-CB 3.22Å; D113-Y117 PolarHBondContact O-N 3.03Å; D113-L125 HydrophobicContact CB-CD2 3.9Å; D113-Q144 WeakPolarHBondContact OD2-CG 3.46Å; D113-Q144 PolarHBondContact OD2-NE2 3.33Å; D113-L145 HydrophobicContact CB-CD2 3.79Å; D113-R148 WeakPolarHBondContact OD1-CB 3.25Å; D113-R148 WeakPolarHBondContact OD1-CD 3.18Å; D113-R148 WeakPolarHBondContact OD1-CG 3.41Å; D113-R148 IonicContact OD1-CZ 3.79Å; D113-R148 IonicContact OD1-NE 2.74Å; D113-R148 PolarHBondContact OD1-NE 3.4Å; D113-R148 IonicContact OD1-NH2 2.74Å; D113-R148 IonicContact OD2-CZ 2.75Å; D113-R148 IonicContact OD2-NE 2.9Å; D113-R148 PolarHBondContact OD2-NE 3.48Å; D113-R148 IonicContact OD2-NH2 3.98Å; D113-R148 PolarHBondContact OD2-NH2 3.35Å
114R91.4Very high91.8Very high34 Ų3420 Ų2013%0.1288%0.084CC..Hα-helixtrans-64.4-39.7180-174.7172.9-61.7152.519.8112V60 E62 N79 V112 W118 K231V60-R114 PolarHBondContact O-NH1 3.31Å; V60-R114 PolarHBondContact O-NH2 2.87Å; E62-R114 IonicContact OE1-CZ 3.63Å; E62-R114 IonicContact OE1-NE 2.63Å; E62-R114 IonicContact OE1-NH1 2.61Å; E62-R114 PolarHBondContact OE1-NH1 3.29Å; N79-R114 WeakPolarHBondContact OD1-CD 3.37Å; N79-R114 WeakPolarHBondContact OD1-CG 3.33Å; V112-R114 VanDerWaalsContact C-N 3.28Å; V112-R114 PolarHBondContact O-N 3.4Å; V112-R114 VanDerWaalsContact O-N 3.13Å; R114-W118 VanDerWaalsContact O-CB 3.31Å; R114-W118 WeakPolarHBondContact O-CB 3.21Å; R114-W118 PolarHBondContact O-N 2.9Å; R114-W118 VanDerWaalsContact O-N 3.1Å; R114-K231 VanDerWaalsContact NH1-NZ 3.12Å
115F89.9Confident91.6Very high4 Ų419.9 Ų19.92%0.0188%0.083CC..Hα-helixtrans-75.7-37.4177.8-166.7-80.1000111.7L2 N79 I82 L86 V112 D113 W118 I119L2-F115 HydrophobicContact CD2-CE1 3.96Å; L2-F115 HydrophobicContact CD2-CZ 4Å; N79-F115 HydrophobicContact CB-CD2 4.36Å; I82-F115 HydrophobicContact CG2-CB 3.68Å; I82-F115 HydrophobicContact CG2-CD2 4.37Å; I82-F115 HydrophobicContact CG2-CG 4.1Å; L86-F115 HydrophobicContact CD1-CD1 4.45Å; L86-F115 HydrophobicContact CD2-CD1 3.7Å; L86-F115 HydrophobicContact CD2-CE1 3.55Å; V112-F115 CarbonylContact O-C 3.54Å; V112-F115 WeakPolarHBondContact O-CA 3.5Å; V112-F115 PolarHBondContact O-N 3.01Å; D113-F115 VanDerWaalsContact C-N 3.33Å; D113-F115 PolarHBondContact O-N 3.49Å; F115-W118 AromaticContact CD2-CE3 3.93Å; F115-W118 HydrophobicContact CD2-CE3 3.93Å; F115-W118 HydrophobicContact CD2-CZ3 4.23Å; F115-W118 HydrophobicContact CE1-CE3 4.3Å; F115-W118 AromaticContact CE2-CE3 3.54Å; F115-W118 HydrophobicContact CE2-CE3 3.54Å; F115-W118 AromaticContact CE2-CZ3 3.43Å; F115-W118 HydrophobicContact CE2-CZ3 3.43Å; F115-W118 VanDerWaalsContact CE2-CZ3 3.43Å; F115-W118 HydrophobicContact CG-CE3 4.46Å; F115-W118 AromaticContact CZ-CE3 3.76Å; F115-W118 HydrophobicContact CZ-CE3 3.76Å; F115-W118 AromaticContact CZ-CZ3 3.62Å; F115-W118 HydrophobicContact CZ-CZ3 3.62Å; F115-W118 CarbonylContact O-C 3.59Å; F115-W118 VanDerWaalsContact O-CA 3.29Å; F115-W118 WeakPolarHBondContact O-CA 3.28Å; F115-W118 VanDerWaalsContact O-CB 3.3Å; F115-W118 WeakPolarHBondContact O-CB 3.44Å; F115-W118 PolarHBondContact O-N 3.49Å; F115-I119 HydrophobicContact CD1-CG2 4.25Å; F115-I119 HydrophobicContact CE1-CG2 3.8Å; F115-I119 HydrophobicContact CZ-CG2 4.43Å; F115-I119 PolarHBondContact O-N 3.09Å; F115-I119 VanDerWaalsContact O-N 3.17Å
116L90.4Very high91.5Very high0 Ų020.7 Ų20.70%09%0.088CC..Hα-helixtrans-73.1-30.7179.1-66.6-178.4000112.9V6 L10 L86 V112 D113 W118 I119 D120 E121 S122 L125V6-L116 HydrophobicContact CG1-CD2 3.56Å; L10-L116 HydrophobicContact CD1-CD1 4.04Å; L10-L116 HydrophobicContact CD1-CD2 4.09Å; L10-L116 HydrophobicContact CD2-CD1 4.05Å; L86-L116 HydrophobicContact CD1-CD2 4.37Å; L86-L116 HydrophobicContact CD2-CD2 4.48Å; V112-L116 HydrophobicContact CB-CD1 3.98Å; V112-L116 HydrophobicContact CB-CG 4.14Å; V112-L116 HydrophobicContact CG2-CD1 3.49Å; V112-L116 VanDerWaalsContact CG2-CD1 3.49Å; V112-L116 HydrophobicContact CG2-CG 4.19Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 2.82Å; D113-L116 PolarHBondContact O-N 2.87Å; L116-W118 VanDerWaalsContact C-N 3.32Å; L116-I119 HydrophobicContact CD2-CD1 3.87Å; L116-I119 HydrophobicContact CD2-CG1 4.24Å; L116-I119 PolarHBondContact O-N 3.3Å; L116-D120 PolarHBondContact O-N 2.9Å; L116-E121 HydrophobicContact CD2-CB 4.48Å; L116-E121 PolarHBondContact O-N 2.93Å; L116-S122 PolarHBondContact O-N 2.86Å; L116-L125 HydrophobicContact CB-CD2 4.35Å; L116-L125 HydrophobicContact CD1-CB 4.35Å; L116-L125 HydrophobicContact CD1-CD1 3.74Å; L116-L125 HydrophobicContact CD1-CD2 4.05Å; L116-L125 HydrophobicContact CD1-CG 4.27Å
117Y87.8Confident91.5Very high29 Ų2925.4 Ų25.411%0.11411%0.108CC..Hα-helixtrans-64.8-39.6161.8-174.4-105.6000111.3D113 I119 D120 S122 R148 R151 N155D113-Y117 WeakPolarHBondContact O-CB 3.22Å; D113-Y117 PolarHBondContact O-N 3.03Å; Y117-I119 PolarHBondContact O-N 3.04Å; Y117-D120 PolarHBondContact O-N 3.38Å; Y117-D120 VanDerWaalsContact O-N 3.12Å; Y117-S122 WeakPolarHBondContact CA-OG 3.31Å; Y117-S122 WeakPolarHBondContact CB-OG 3.3Å; Y117-S122 PolarHBondContact N-OG 3.13Å; Y117-R148 VanDerWaalsContact CB-CZ 3.5Å; Y117-R148 VanDerWaalsContact CD2-CD 3.41Å; Y117-R151 HydrophobicContact CE2-CB 4.46Å; Y117-N155 PolarHBondContact OH-ND2 3.16Å
118W78.9Confident91.3Very high34 Ų3425.2 Ų25.213%0.12911%0.106CC..THydrogen-bonded Turntrans-65.1-5.5178.2-170.173.4000114.6R114 F115 L116 S663 S664 S666R114-W118 VanDerWaalsContact O-CB 3.31Å; R114-W118 WeakPolarHBondContact O-CB 3.21Å; R114-W118 PolarHBondContact O-N 2.9Å; R114-W118 VanDerWaalsContact O-N 3.1Å; F115-W118 AromaticContact CD2-CE3 3.93Å; F115-W118 HydrophobicContact CD2-CE3 3.93Å; F115-W118 HydrophobicContact CD2-CZ3 4.23Å; F115-W118 HydrophobicContact CE1-CE3 4.3Å; F115-W118 AromaticContact CE2-CE3 3.54Å; F115-W118 HydrophobicContact CE2-CE3 3.54Å; F115-W118 AromaticContact CE2-CZ3 3.43Å; F115-W118 HydrophobicContact CE2-CZ3 3.43Å; F115-W118 VanDerWaalsContact CE2-CZ3 3.43Å; F115-W118 HydrophobicContact CG-CE3 4.46Å; F115-W118 AromaticContact CZ-CE3 3.76Å; F115-W118 HydrophobicContact CZ-CE3 3.76Å; F115-W118 AromaticContact CZ-CZ3 3.62Å; F115-W118 HydrophobicContact CZ-CZ3 3.62Å; F115-W118 CarbonylContact O-C 3.59Å; F115-W118 VanDerWaalsContact O-CA 3.29Å; F115-W118 WeakPolarHBondContact O-CA 3.28Å; F115-W118 VanDerWaalsContact O-CB 3.3Å; F115-W118 WeakPolarHBondContact O-CB 3.44Å; F115-W118 PolarHBondContact O-N 3.49Å; L116-W118 VanDerWaalsContact C-N 3.32Å; W118-S663 VanDerWaalsContact CA-CB 3.4Å; W118-S663 WeakPolarHBondContact O-CB 3.46Å; W118-S664 WeakPolarHBondContact CZ2-O 3.43Å; W118-S664 PolarHBondContact NE1-O 3.3Å; W118-S666 VanDerWaalsContact CH2-N 3.33Å
119I79.6Confident91.2Very high7 Ų725.2 Ų25.24%0.03611%0.106CC..THydrogen-bonded Turntrans-127.711.8173.770.8166.4000114.2R3 V6 F115 L116 Y117 E121 Q665R3-I119 WeakPolarHBondContact CD-O 3.21Å; R3-I119 PolarHBondContact NE-O 2.7Å; V6-I119 HydrophobicContact CB-CD1 4.14Å; V6-I119 HydrophobicContact CG1-CD1 3.77Å; V6-I119 HydrophobicContact CG2-CD1 4.46Å; F115-I119 HydrophobicContact CD1-CG2 4.25Å; F115-I119 HydrophobicContact CE1-CG2 3.8Å; F115-I119 HydrophobicContact CZ-CG2 4.43Å; F115-I119 PolarHBondContact O-N 3.09Å; F115-I119 VanDerWaalsContact O-N 3.17Å; L116-I119 HydrophobicContact CD2-CD1 3.87Å; L116-I119 HydrophobicContact CD2-CG1 4.24Å; L116-I119 PolarHBondContact O-N 3.3Å; Y117-I119 PolarHBondContact O-N 3.04Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 HydrophobicContact CD1-CB 4.3Å; I119-E121 HydrophobicContact CD1-CG 3.94Å; I119-E121 HydrophobicContact CG1-CB 4.12Å; I119-E121 HydrophobicContact CG1-CG 3.99Å; I119-E121 PolarHBondContact O-N 3.43Å; I119-Q665 HydrophobicContact CB-CG 4.45Å; I119-Q665 HydrophobicContact CG2-CG 3.57Å
120D81.4Confident91Very high58 Ų5828.6 Ų28.631%0.3112%0.121SC..THydrogen-bonded Turntrans57.436.1-177.3-179.348.9000114.9R3 L116 Y117R3-D120 IonicContact CZ-OD2 2.6Å; R3-D120 IonicContact NH1-OD2 3.69Å; R3-D120 PolarHBondContact NH1-OD2 3.31Å; R3-D120 VanDerWaalsContact NH1-OD2 3.11Å; R3-D120 PolarHBondContact NH2-O 3.31Å; R3-D120 IonicContact NH2-OD2 2.65Å; R3-D120 PolarHBondContact NH2-OD2 3.05Å; L116-D120 PolarHBondContact O-N 2.9Å; Y117-D120 PolarHBondContact O-N 3.38Å; Y117-D120 VanDerWaalsContact O-N 3.12Å
121E87.6Confident90.9Very high10 Ų1030.2 Ų30.25%0.04713%0.129CC..  trans-106.84.3172.6-66.9-57.5137.200113.5R3 L10 L116 I119 R123 R124 L125R3-E121 HydrophobicContact CG-CG 4.15Å; R3-E121 WeakPolarHBondContact CG-OE1 3.3Å; R3-E121 IonicContact CZ-OE1 3.95Å; R3-E121 IonicContact NE-OE1 2.64Å; R3-E121 PolarHBondContact NE-OE1 2.75Å; R3-E121 IonicContact NH2-OE1 2.73Å; R3-E121 PolarHBondContact NH2-OE1 2.78Å; L10-E121 HydrophobicContact CD1-CB 3.8Å; L116-E121 HydrophobicContact CD2-CB 4.48Å; L116-E121 PolarHBondContact O-N 2.93Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 HydrophobicContact CD1-CB 4.3Å; I119-E121 HydrophobicContact CD1-CG 3.94Å; I119-E121 HydrophobicContact CG1-CB 4.12Å; I119-E121 HydrophobicContact CG1-CG 3.99Å; I119-E121 PolarHBondContact O-N 3.43Å; E121-R123 PolarHBondContact O-N 2.86Å; E121-R124 PolarHBondContact O-N 2.88Å; E121-R124 WeakPolarHBondContact OE2-CD 3.45Å; E121-R124 IonicContact OE2-CZ 2.66Å; E121-R124 IonicContact OE2-NE 3.87Å; E121-R124 PolarHBondContact OE2-NE 2.96Å; E121-R124 IonicContact OE2-NH2 3.26Å; E121-L125 PolarHBondContact O-N 3.33Å
122S90.6Very high90.7Very high3 Ų330.3 Ų30.32%0.02113%0.129CC..Hα-helixtrans-54.2-25.9174.2-65.20000113.8L116 Y117 R124 L125 L126 R148L116-S122 PolarHBondContact O-N 2.86Å; Y117-S122 WeakPolarHBondContact CA-OG 3.31Å; Y117-S122 WeakPolarHBondContact CB-OG 3.3Å; Y117-S122 PolarHBondContact N-OG 3.13Å; S122-R124 VanDerWaalsContact C-N 3.33Å; S122-R124 PolarHBondContact O-N 3.01Å; S122-L125 PolarHBondContact O-N 3.46Å; S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 VanDerWaalsContact O-CG 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.14Å; S122-L126 PolarHBondContact O-N 2.98Å; S122-R148 WeakPolarHBondContact OG-CD 3.45Å
123R88.9Confident90.5Very high140 Ų14031.1 Ų31.153%0.52813%0.134SC..Hα-helixtrans-64.2-34.6175.8-60.8-172.7-167.6-165.14.7112.5E121 K127 V152E121-R123 PolarHBondContact O-N 2.86Å; R123-K127 WeakPolarHBondContact O-CG 3.27Å; R123-V152 HydrophobicContact CG-CG1 4.26Å
124R91.1Very high90.3Very high77 Ų7739.5 Ų39.529%0.29117%0.165SC..Hα-helixtrans-76.7-46.1173.4-59.8-168.4-155-123.79.2110.9G7 L10 E11 E121 S122 L126 K127 I128G7-R124 PolarHBondContact O-NH1 2.97Å; L10-R124 HydrophobicContact CB-CB 4Å; L10-R124 HydrophobicContact CD1-CB 4.3Å; E11-R124 IonicContact OE2-CZ 3.82Å; E11-R124 IonicContact OE2-NH1 3.09Å; E11-R124 PolarHBondContact OE2-NH1 3.36Å; E121-R124 PolarHBondContact O-N 2.88Å; E121-R124 WeakPolarHBondContact OE2-CD 3.45Å; E121-R124 IonicContact OE2-CZ 2.66Å; E121-R124 IonicContact OE2-NE 3.87Å; E121-R124 PolarHBondContact OE2-NE 2.96Å; E121-R124 IonicContact OE2-NH2 3.26Å; S122-R124 VanDerWaalsContact C-N 3.33Å; S122-R124 PolarHBondContact O-N 3.01Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.32Å; R124-K127 WeakPolarHBondContact O-CB 3.36Å; R124-K127 PolarHBondContact O-N 2.82Å; R124-I128 PolarHBondContact O-N 3.05Å
125L94.6Very high90.4Very high0 Ų040.6 Ų40.60%017%0.17CC..Hα-helixtrans-52.5-49.1178.2-17170.1000111.7L10 M109 V112 D113 L116 E121 S122 K127 I128 T129 L145L10-L125 HydrophobicContact CD2-CD1 4.43Å; M109-L125 HydrophobicContact CB-CD1 4.07Å; M109-L125 HydrophobicContact CE-CD1 3.46Å; M109-L125 VanDerWaalsContact CE-CD1 3.46Å; M109-L125 HydrophobicContact CE-CG 3.88Å; M109-L125 WeakPolarHBondContact CE-O 3.26Å; M109-L125 HydrophobicContact CG-CD1 3.9Å; V112-L125 HydrophobicContact CG2-CD1 4.19Å; D113-L125 HydrophobicContact CB-CD2 3.9Å; L116-L125 HydrophobicContact CB-CD2 4.35Å; L116-L125 HydrophobicContact CD1-CB 4.35Å; L116-L125 HydrophobicContact CD1-CD1 3.74Å; L116-L125 HydrophobicContact CD1-CD2 4.05Å; L116-L125 HydrophobicContact CD1-CG 4.27Å; E121-L125 PolarHBondContact O-N 3.33Å; S122-L125 PolarHBondContact O-N 3.46Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.13Å; L125-I128 WeakPolarHBondContact O-CB 3.3Å; L125-I128 PolarHBondContact O-N 3.4Å; L125-I128 VanDerWaalsContact O-N 3.14Å; L125-T129 PolarHBondContact O-N 3.42Å; L125-T129 PolarHBondContact O-OG1 3.02Å; L125-T129 VanDerWaalsContact O-OG1 3.12Å; L125-L145 HydrophobicContact CD2-CD2 4.14Å
126L95.1Very high90.4Very high18 Ų1842.7 Ų42.79%0.09418%0.178CC..Hα-helixtrans-69-25.1-179.4-68.6175000114.1S122 R124 T129 K130 R148 V149 V152S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 VanDerWaalsContact O-CG 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.14Å; S122-L126 PolarHBondContact O-N 2.98Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.32Å; L126-T129 PolarHBondContact O-N 2.76Å; L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 2.8Å; L126-R148 HydrophobicContact CD1-CB 4.49Å; L126-R148 HydrophobicContact CD1-CG 4.03Å; L126-R148 HydrophobicContact CD2-CB 4.39Å; L126-R148 HydrophobicContact CD2-CG 4.45Å; L126-R148 HydrophobicContact CG-CG 4.41Å; L126-V149 HydrophobicContact CD1-CB 4.41Å; L126-V149 HydrophobicContact CD1-CG2 3.91Å; L126-V149 HydrophobicContact CD2-CG2 3.7Å; L126-V149 HydrophobicContact CG-CG2 4.35Å; L126-V152 HydrophobicContact CD1-CB 4.29Å; L126-V152 HydrophobicContact CD1-CG2 3.98Å
127K94.9Very high90.4Very high109 Ų10946 Ų4647%0.47420%0.199SC..Hα-helixtrans-64.8-44.7169.4-74.7179.8179.3-174.40110.6L14 R123 R124 L125 T129 K130 L131L14-K127 HydrophobicContact CD1-CB 3.75Å; L14-K127 HydrophobicContact CD2-CB 3.95Å; L14-K127 HydrophobicContact CD2-CD 3.63Å; L14-K127 HydrophobicContact CD2-CG 4.48Å; R123-K127 WeakPolarHBondContact O-CG 3.27Å; R124-K127 WeakPolarHBondContact O-CB 3.36Å; R124-K127 PolarHBondContact O-N 2.82Å; L125-K127 VanDerWaalsContact C-N 3.33Å; L125-K127 PolarHBondContact O-N 3.13Å; K127-T129 VanDerWaalsContact C-N 3.35Å; K127-K130 PolarHBondContact O-N 3.39Å; K127-L131 PolarHBondContact O-N 3.1Å; K127-L131 VanDerWaalsContact O-N 3.12Å
128I95.2Very high90.5Very high0 Ų051.9 Ų51.90%023%0.228CC..Hα-helixtrans-61.4-45.1175.2-56.4163.1000109.6L10 C13 L14 A17 I97 M109 R124 L125 K130 L131 L132L10-I128 HydrophobicContact CD2-CD1 4.03Å; C13-I128 HydrophobicContact CB-CD1 3.72Å; L14-I128 HydrophobicContact CB-CD1 4.34Å; L14-I128 HydrophobicContact CB-CG1 3.79Å; L14-I128 HydrophobicContact CD1-CG1 3.92Å; L14-I128 HydrophobicContact CG-CG1 4.42Å; A17-I128 HydrophobicContact CB-CG2 4.12Å; I97-I128 HydrophobicContact CD1-CG2 3.91Å; M109-I128 HydrophobicContact CE-CB 3.53Å; M109-I128 HydrophobicContact CE-CG2 3.56Å; M109-I128 HydrophobicContact SD-CG2 4Å; R124-I128 PolarHBondContact O-N 3.05Å; L125-I128 WeakPolarHBondContact O-CB 3.3Å; L125-I128 PolarHBondContact O-N 3.4Å; L125-I128 VanDerWaalsContact O-N 3.14Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.86Å; I128-L131 PolarHBondContact O-N 3.15Å; I128-L131 VanDerWaalsContact O-N 3.13Å; I128-L132 HydrophobicContact CG2-CD1 4.05Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 PolarHBondContact O-N 2.7Å
129T94.6Very high91.1Very high1 Ų153 Ų531%0.00623%0.234CC..Hα-helixtrans-59.9-40.8179.4-51.70000111.2L106 M109 L125 L126 K127 N133 I141 L486L106-T129 HydrophobicContact CD2-CG2 4.34Å; M109-T129 WeakPolarHBondContact CE-OG1 3.34Å; L125-T129 PolarHBondContact O-N 3.42Å; L125-T129 PolarHBondContact O-OG1 3.02Å; L125-T129 VanDerWaalsContact O-OG1 3.12Å; L126-T129 PolarHBondContact O-N 2.76Å; K127-T129 VanDerWaalsContact C-N 3.35Å; T129-N133 VanDerWaalsContact O-CB 3.27Å; T129-N133 WeakPolarHBondContact O-CB 3.16Å; T129-N133 PolarHBondContact O-N 3.2Å; T129-I141 HydrophobicContact CG2-CD1 4.07Å; T129-I141 HydrophobicContact CG2-CG2 4.19Å; T129-L486 HydrophobicContact CG2-CD1 4.38Å; T129-L486 HydrophobicContact CG2-CD2 4.25Å
130K93.2Very high91.8Very high71 Ų7153.9 Ų53.931%0.30924%0.24SC..Hα-helixtrans-64.3-39.1176.9-176.4-175.3172.6-175.30112.6L126 K127 I128 R134 L486 D491L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 2.8Å; K127-K130 PolarHBondContact O-N 3.39Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.86Å; K130-R134 PolarHBondContact O-N 2.84Å; K130-R134 VanDerWaalsContact O-N 3.11Å; K130-L486 HydrophobicContact CB-CD2 4.12Å; K130-D491 IonicContact NZ-OD2 2.7Å; K130-D491 PolarHBondContact NZ-OD2 2.76Å
131L94.4Very high92.4Very high36 Ų3651.5 Ų51.519%0.18823%0.228CC..Hα-helixtrans-68.7-48.2175.7-67.5176.7000111.3L14 A17 R18 K127 I128 N133 R134 W135L14-L131 HydrophobicContact CD1-CD1 3.61Å; A17-L131 HydrophobicContact CB-CB 4.29Å; A17-L131 HydrophobicContact CB-CD1 4.06Å; A17-L131 WeakPolarHBondContact O-CD1 3.37Å; R18-L131 HydrophobicContact CG-CD1 3.86Å; K127-L131 PolarHBondContact O-N 3.1Å; K127-L131 VanDerWaalsContact O-N 3.12Å; I128-L131 PolarHBondContact O-N 3.15Å; I128-L131 VanDerWaalsContact O-N 3.13Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.06Å; L131-R134 WeakPolarHBondContact O-CB 3.1Å; L131-R134 PolarHBondContact O-N 2.84Å; L131-W135 PolarHBondContact O-N 2.88Å
132L93.3Very high92.8Very high5 Ų551.1 Ų51.13%0.02623%0.226CC..Hα-helixtrans-60.4-39.3176.9-66.4178.4000112.3I97 L106 M109 I128 R134 W135 Y136I97-L132 HydrophobicContact CG1-CD1 4.43Å; I97-L132 HydrophobicContact CG1-CD2 4.44Å; L106-L132 HydrophobicContact CD2-CB 4.25Å; L106-L132 HydrophobicContact CD2-CD1 4.19Å; L106-L132 HydrophobicContact CG-CD1 4.48Å; M109-L132 HydrophobicContact SD-CD1 3.78Å; I128-L132 HydrophobicContact CG2-CD1 4.05Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 PolarHBondContact O-N 2.7Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 2.88Å; L132-W135 PolarHBondContact O-N 3.15Å; L132-Y136 HydrophobicContact CD2-CD2 4.42Å; L132-Y136 HydrophobicContact CD2-CE2 4.26Å; L132-Y136 PolarHBondContact O-N 3.08Å
133N91.9Very high93.2Very high17 Ų1751 Ų519%0.09123%0.225CC..Hα-helixtrans-61.9-37.1172.1-175.5105.5000112.7T129 L131 P137 I141 T484 L486T129-N133 VanDerWaalsContact O-CB 3.27Å; T129-N133 WeakPolarHBondContact O-CB 3.16Å; T129-N133 PolarHBondContact O-N 3.2Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.06Å; N133-P137 VanDerWaalsContact O-CA 3.29Å; N133-P137 WeakPolarHBondContact O-CA 3.26Å; N133-I141 HydrophobicContact CB-CD1 3.72Å; N133-I141 WeakPolarHBondContact OD1-CD1 3.21Å; N133-T484 WeakPolarHBondContact ND2-CG2 3.35Å; N133-L486 HydrophobicContact CB-CD1 4.28Å
134R92.4Very high93.6Very high176 Ų17644.7 Ų44.766%0.66420%0.202SC*.Hα-helixtrans-69.1-40.1178.6175.1-177.9170.4-173-5.1111.2K130 L131 L132K130-R134 PolarHBondContact O-N 2.84Å; K130-R134 VanDerWaalsContact O-N 3.11Å; L131-R134 WeakPolarHBondContact O-CB 3.1Å; L131-R134 PolarHBondContact O-N 2.84Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 2.88Å
135W92.1Very high93.8Very high57 Ų5741.1 Ų41.122%0.21619%0.188CC..Hα-helixtrans-77.9-36.5-178.9-65.4139.8000113.2A17 E20 P21 L131 L132A17-W135 PolarHBondContact O-NE1 2.93Å; E20-W135 HydrophobicContact CB-CH2 3.8Å; E20-W135 HydrophobicContact CB-CZ2 4.23Å; E20-W135 HydrophobicContact CB-CZ3 4.26Å; E20-W135 HydrophobicContact CG-CH2 3.79Å; E20-W135 HydrophobicContact CG-CZ3 3.75Å; P21-W135 HydrophobicContact CG-CB 3.89Å; P21-W135 HydrophobicContact CG-CD2 4.2Å; P21-W135 HydrophobicContact CG-CG 3.93Å; L131-W135 PolarHBondContact O-N 2.88Å; L132-W135 PolarHBondContact O-N 3.15Å
136Y91.6Very high93.9Very high49 Ų4941.3 Ų41.319%0.19219%0.19CC..  trans-129.966.7-174.9-50.4-80.9000111P21 Q100 P102 L132 E138 Q139P21-Y136 HydrophobicContact CB-CE1 4.45Å; P21-Y136 WeakPolarHBondContact CB-OH 3.37Å; P21-Y136 HydrophobicContact CG-CE1 4.33Å; P21-Y136 HydrophobicContact CG-CE2 4.15Å; P21-Y136 WeakPolarHBondContact CG-OH 3.48Å; Q100-Y136 WeakPolarHBondContact CB-OH 3.37Å; P102-Y136 HydrophobicContact CB-CD1 4.32Å; P102-Y136 HydrophobicContact CB-CD2 3.58Å; P102-Y136 HydrophobicContact CB-CE2 3.9Å; P102-Y136 HydrophobicContact CB-CG 3.79Å; P102-Y136 HydrophobicContact CG-CD1 3.87Å; P102-Y136 HydrophobicContact CG-CD2 4.05Å; P102-Y136 HydrophobicContact CG-CE1 4.07Å; P102-Y136 HydrophobicContact CG-CE2 4.25Å; P102-Y136 HydrophobicContact CG-CG 3.84Å; L132-Y136 HydrophobicContact CD2-CD2 4.42Å; L132-Y136 HydrophobicContact CD2-CE2 4.26Å; L132-Y136 PolarHBondContact O-N 3.08Å; Y136-E138 PolarHBondContact O-N 3.05Å; Y136-E138 VanDerWaalsContact O-N 3.14Å; Y136-Q139 WeakPolarHBondContact O-CB 3.36Å; Y136-Q139 PolarHBondContact O-N 3.19Å
137P89.5Confident93.9Very high68 Ų6840.7 Ų40.744%0.44219%0.186SC..THydrogen-bonded Turntrans-64.7-20.2-171.326.3-36.2000114.7N133 Q139N133-P137 VanDerWaalsContact O-CA 3.29Å; N133-P137 WeakPolarHBondContact O-CA 3.26Å; P137-Q139 VanDerWaalsContact C-N 3.33Å
138E89.4Confident94Very high153 Ų15336.4 Ų36.472%0.71517%0.167SC*.THydrogen-bonded Turntrans-78.6-14175.7-55.3-55.3140.400113.3Y136Y136-E138 PolarHBondContact O-N 3.05Å; Y136-E138 VanDerWaalsContact O-N 3.14Å
139Q92.1Very high93.8Very high57 Ų5737.1 Ų37.127%0.26617%0.172SC..SBendtrans-77.1135.9-176.3-69.8-72.9-12.600111.6P102 L106 Y136 P137P102-Q139 HydrophobicContact CB-CG 4.12Å; P102-Q139 HydrophobicContact CG-CG 3.95Å; L106-Q139 HydrophobicContact CD1-CB 3.76Å; Y136-Q139 WeakPolarHBondContact O-CB 3.36Å; Y136-Q139 PolarHBondContact O-N 3.19Å; P137-Q139 VanDerWaalsContact C-N 3.33Å
140P93Very high93.5Very high26 Ų2637.1 Ų37.117%0.16917%0.171CC..  trans-74.1131.8-173.430.6-35.3000111.9M55 W179M55-P140 HydrophobicContact CE-CG 4.34Å; M55-P140 HydrophobicContact CG-CB 4.29Å; M55-P140 HydrophobicContact CG-CG 4.14Å; M55-P140 HydrophobicContact SD-CB 3.42Å; M55-P140 WeakPolarHBondContact SD-CB 3.34Å; M55-P140 HydrophobicContact SD-CG 3.55Å; M55-P140 VanDerWaalsContact SD-CG 3.55Å; P140-W179 HydrophobicContact CB-CE3 3.86Å; P140-W179 HydrophobicContact CB-CZ3 4.41Å
141I95.1Very high93.4Very high9 Ų935.5 Ų35.55%0.04616%0.163CC..  trans-109.8126.2176.9-62-179.5000109.8L106 T129 N133 L145 I146 W179 L486L106-I141 HydrophobicContact CD1-CG1 4.22Å; L106-I141 HydrophobicContact CD2-CG1 4.33Å; T129-I141 HydrophobicContact CG2-CD1 4.07Å; T129-I141 HydrophobicContact CG2-CG2 4.19Å; N133-I141 HydrophobicContact CB-CD1 3.72Å; N133-I141 WeakPolarHBondContact OD1-CD1 3.21Å; I141-L145 HydrophobicContact CG2-CB 4.03Å; I141-L145 HydrophobicContact CG2-CD1 4.14Å; I141-I146 HydrophobicContact CB-CD1 4.43Å; I141-I146 HydrophobicContact CG2-CD1 4.1Å; I141-I146 HydrophobicContact CG2-CG1 4.07Å; I141-W179 VanDerWaalsContact C-CE3 3.43Å; I141-L486 HydrophobicContact CD1-CD1 3.7Å
142A96.8Very high93Very high2 Ų234.8 Ų34.82%0.01716%0.161CC..  trans-58.4135.9-176.700000112.8F110 Q144 L145 I146 W179F110-A142 HydrophobicContact CB-CB 4.1Å; F110-A142 HydrophobicContact CD1-CB 3.51Å; F110-A142 HydrophobicContact CD2-CB 3.42Å; F110-A142 VanDerWaalsContact CD2-CB 3.42Å; F110-A142 HydrophobicContact CE1-CB 3.6Å; F110-A142 HydrophobicContact CE2-CB 3.55Å; F110-A142 HydrophobicContact CG-CB 3.4Å; F110-A142 VanDerWaalsContact CG-CB 3.4Å; F110-A142 HydrophobicContact CZ-CB 3.61Å; A142-Q144 PolarHBondContact O-N 2.93Å; A142-Q144 VanDerWaalsContact O-N 3.1Å; A142-L145 HydrophobicContact CB-CD1 4.37Å; A142-L145 WeakPolarHBondContact O-CB 3.07Å; A142-L145 PolarHBondContact O-N 3.42Å; A142-I146 PolarHBondContact O-N 3.14Å; A142-W179 VanDerWaalsContact CA-CE3 3.49Å; A142-W179 VanDerWaalsContact CA-CZ3 3.44Å; A142-W179 HydrophobicContact CB-CE3 4.32Å; A142-W179 HydrophobicContact CB-CH2 3.95Å; A142-W179 HydrophobicContact CB-CZ3 3.77Å
143P97.4Very high92.4Very high0 Ų035.1 Ų35.10%016%0.162CC..Hα-helixtrans-53.3-32.8174.7-29.336.9000113.6P58 L145 I146 I147 T176 W179 Y181 V190P58-P143 HydrophobicContact CB-CB 4.2Å; P58-P143 HydrophobicContact CB-CG 3.8Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 3.01Å; P143-I146 PolarHBondContact O-N 3.36Å; P143-I147 WeakPolarHBondContact O-CB 3.11Å; P143-I147 WeakPolarHBondContact O-CG1 3.46Å; P143-I147 PolarHBondContact O-N 3.41Å; P143-T176 HydrophobicContact CG-CG2 4.11Å; P143-W179 HydrophobicContact CG-CG 4.29Å; P143-Y181 HydrophobicContact CG-CE1 4.3Å; P143-Y181 WeakPolarHBondContact CG-OH 3.24Å; P143-V190 HydrophobicContact CB-CG1 4.1Å; P143-V190 HydrophobicContact CB-CG2 3.6Å; P143-V190 HydrophobicContact CG-CG2 3.96Å
144Q97.3Very high91.8Very high7 Ų734.5 Ų34.53%0.03316%0.159CC..Hα-helixtrans-56-41.7172.4-169-179.2-80.300113.3P58 F59 F110 D113 A142 R148P58-Q144 PolarHBondContact O-N 2.96Å; F59-Q144 HydrophobicContact CD1-CB 3.63Å; F59-Q144 HydrophobicContact CD1-CG 3.84Å; F59-Q144 HydrophobicContact CE1-CB 4.1Å; F59-Q144 HydrophobicContact CE1-CG 4.46Å; F110-Q144 HydrophobicContact CD2-CB 4.01Å; F110-Q144 HydrophobicContact CE2-CB 3.56Å; F110-Q144 HydrophobicContact CE2-CG 4.3Å; F110-Q144 PolarHBondContact O-NE2 3.44Å; D113-Q144 WeakPolarHBondContact OD2-CG 3.46Å; D113-Q144 PolarHBondContact OD2-NE2 3.33Å; A142-Q144 PolarHBondContact O-N 2.93Å; A142-Q144 VanDerWaalsContact O-N 3.1Å; Q144-R148 WeakPolarHBondContact O-CB 3.5Å; Q144-R148 PolarHBondContact O-N 3.36Å
145L96.4Very high91.1Very high2 Ų227.3 Ų27.31%0.0113%0.133CC..Hα-helixtrans-70.7-34.9178.5-73.5167.4000111.8M109 F110 D113 L125 I141 A142 P143 R148 V149M109-L145 HydrophobicContact CB-CD1 4.5Å; F110-L145 HydrophobicContact CB-CD1 4.42Å; D113-L145 HydrophobicContact CB-CD2 3.79Å; L125-L145 HydrophobicContact CD2-CD2 4.14Å; I141-L145 HydrophobicContact CG2-CB 4.03Å; I141-L145 HydrophobicContact CG2-CD1 4.14Å; A142-L145 HydrophobicContact CB-CD1 4.37Å; A142-L145 WeakPolarHBondContact O-CB 3.07Å; A142-L145 PolarHBondContact O-N 3.42Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 3.01Å; L145-R148 WeakPolarHBondContact O-CA 3.49Å; L145-R148 VanDerWaalsContact O-CB 3.22Å; L145-R148 WeakPolarHBondContact O-CB 3.42Å; L145-R148 PolarHBondContact O-N 3.01Å; L145-V149 PolarHBondContact O-N 3.42Å; L145-V149 VanDerWaalsContact O-N 3.09Å
146I95.6Very high90.1Very high5 Ų526.8 Ų26.83%0.02614%0.138CC..Hα-helixtrans-73-40.6178.5-64.6151.7000110.3I141 A142 P143 R148 V149 A150 I165 L169 T176 A485I141-I146 HydrophobicContact CB-CD1 4.43Å; I141-I146 HydrophobicContact CG2-CD1 4.1Å; I141-I146 HydrophobicContact CG2-CG1 4.07Å; A142-I146 PolarHBondContact O-N 3.14Å; P143-I146 PolarHBondContact O-N 3.36Å; I146-R148 PolarHBondContact O-N 2.83Å; I146-V149 WeakPolarHBondContact O-CB 3.34Å; I146-V149 PolarHBondContact O-N 3.34Å; I146-V149 VanDerWaalsContact O-N 3.13Å; I146-A150 PolarHBondContact O-N 2.84Å; I146-A150 VanDerWaalsContact O-N 3.15Å; I146-I165 HydrophobicContact CG2-CG2 3.73Å; I146-L169 HydrophobicContact CG2-CD1 4.26Å; I146-T176 HydrophobicContact CD1-CG2 3.49Å; I146-T176 VanDerWaalsContact CD1-CG2 3.49Å; I146-T176 WeakPolarHBondContact CD1-OG1 3.4Å; I146-A485 HydrophobicContact CD1-CB 3.85Å; I146-A485 HydrophobicContact CG1-CB 4.13Å
147I96.3Very high88.9Confident4 Ų425 Ų252%0.02113%0.134CC..Hα-helixtrans-67-25.9169.8-68.6167.8000111F59 P143 A150 R151 L169 V190 V193 V197F59-I147 HydrophobicContact CE1-CD1 3.9Å; F59-I147 HydrophobicContact CZ-CD1 3.65Å; P143-I147 WeakPolarHBondContact O-CB 3.11Å; P143-I147 WeakPolarHBondContact O-CG1 3.46Å; P143-I147 PolarHBondContact O-N 3.41Å; I147-A150 PolarHBondContact O-N 3.26Å; I147-R151 HydrophobicContact CG2-CG 4.49Å; I147-R151 WeakPolarHBondContact O-CG 3.39Å; I147-R151 PolarHBondContact O-N 3.26Å; I147-L169 HydrophobicContact CD1-CD1 4.07Å; I147-L169 HydrophobicContact CG1-CD1 3.56Å; I147-V190 HydrophobicContact CD1-CG1 4.28Å; I147-V193 HydrophobicContact CD1-CB 4.28Å; I147-V193 HydrophobicContact CD1-CG1 3.98Å; I147-V193 HydrophobicContact CG2-CG1 4.09Å; I147-V197 HydrophobicContact CG2-CG2 4.14Å
148R96.2Very high87.9Confident20 Ų2026 Ų268%0.07513%0.132CC..Hα-helixtrans-64.1-41.5168.7-169.967.159.3-149.8-7111.8D113 Y117 S122 L126 Q144 L145 I146 A150 R151 V152D113-R148 WeakPolarHBondContact OD1-CB 3.25Å; D113-R148 WeakPolarHBondContact OD1-CD 3.18Å; D113-R148 WeakPolarHBondContact OD1-CG 3.41Å; D113-R148 IonicContact OD1-CZ 3.79Å; D113-R148 IonicContact OD1-NE 2.74Å; D113-R148 PolarHBondContact OD1-NE 3.4Å; D113-R148 IonicContact OD1-NH2 2.74Å; D113-R148 IonicContact OD2-CZ 2.75Å; D113-R148 IonicContact OD2-NE 2.9Å; D113-R148 PolarHBondContact OD2-NE 3.48Å; D113-R148 IonicContact OD2-NH2 3.98Å; D113-R148 PolarHBondContact OD2-NH2 3.35Å; Y117-R148 VanDerWaalsContact CB-CZ 3.5Å; Y117-R148 VanDerWaalsContact CD2-CD 3.41Å; S122-R148 WeakPolarHBondContact OG-CD 3.45Å; L126-R148 HydrophobicContact CD1-CB 4.49Å; L126-R148 HydrophobicContact CD1-CG 4.03Å; L126-R148 HydrophobicContact CD2-CB 4.39Å; L126-R148 HydrophobicContact CD2-CG 4.45Å; L126-R148 HydrophobicContact CG-CG 4.41Å; Q144-R148 WeakPolarHBondContact O-CB 3.5Å; Q144-R148 PolarHBondContact O-N 3.36Å; L145-R148 WeakPolarHBondContact O-CA 3.49Å; L145-R148 VanDerWaalsContact O-CB 3.22Å; L145-R148 WeakPolarHBondContact O-CB 3.42Å; L145-R148 PolarHBondContact O-N 3.01Å; I146-R148 PolarHBondContact O-N 2.83Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.45Å; R148-R151 PolarHBondContact O-N 3.07Å; R148-V152 HydrophobicContact CG-CG2 4.42Å; R148-V152 WeakPolarHBondContact O-CB 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.29Å; R148-V152 PolarHBondContact O-N 3.28Å
149V92.5Very high86.9Confident15 Ų1519.1 Ų19.19%0.09110%0.1CC..Hα-helixtrans-58-48172.4-1770000110.1L126 L145 I146 R151 V152 F153 I165 L486L126-V149 HydrophobicContact CD1-CB 4.41Å; L126-V149 HydrophobicContact CD1-CG2 3.91Å; L126-V149 HydrophobicContact CD2-CG2 3.7Å; L126-V149 HydrophobicContact CG-CG2 4.35Å; L145-V149 PolarHBondContact O-N 3.42Å; L145-V149 VanDerWaalsContact O-N 3.09Å; I146-V149 WeakPolarHBondContact O-CB 3.34Å; I146-V149 PolarHBondContact O-N 3.34Å; I146-V149 VanDerWaalsContact O-N 3.13Å; V149-R151 PolarHBondContact O-N 3.43Å; V149-V152 PolarHBondContact O-N 3.29Å; V149-F153 HydrophobicContact CG1-CD2 3.83Å; V149-F153 HydrophobicContact CG1-CE2 3.46Å; V149-F153 VanDerWaalsContact CG1-CE2 3.46Å; V149-F153 HydrophobicContact CG1-CZ 3.95Å; V149-F153 PolarHBondContact O-N 3.36Å; V149-I165 HydrophobicContact CB-CD1 4.11Å; V149-I165 HydrophobicContact CG1-CD1 3.62Å; V149-L486 HydrophobicContact CG2-CD2 4.22Å
150A87Confident85.6Confident0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-60.4-42.4177.200000112.7I146 I147 R148 F153 L154 A162 I165 L166I146-A150 PolarHBondContact O-N 2.84Å; I146-A150 VanDerWaalsContact O-N 3.15Å; I147-A150 PolarHBondContact O-N 3.26Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.45Å; A150-F153 PolarHBondContact O-N 2.81Å; A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 2.96Å; A150-A162 VanDerWaalsContact O-CB 3.31Å; A150-A162 WeakPolarHBondContact O-CB 3.39Å; A150-I165 HydrophobicContact CB-CB 4.22Å; A150-I165 HydrophobicContact CB-CG2 4.04Å; A150-L166 HydrophobicContact CB-CD1 4.37Å; A150-L166 HydrophobicContact CB-CD2 3.84Å; A150-L166 HydrophobicContact CB-CG 3.9Å
151R91.9Very high84.6Confident37 Ų3722.2 Ų22.214%0.1411%0.111CC..Hα-helixtrans-64.5-43.9173.5-71.7-176.6-173.6-94.25.6111.6Y117 I147 R148 V149 F153 L154 N155 V197 M200Y117-R151 HydrophobicContact CE2-CB 4.46Å; I147-R151 HydrophobicContact CG2-CG 4.49Å; I147-R151 WeakPolarHBondContact O-CG 3.39Å; I147-R151 PolarHBondContact O-N 3.26Å; R148-R151 PolarHBondContact O-N 3.07Å; V149-R151 PolarHBondContact O-N 3.43Å; R151-F153 VanDerWaalsContact C-N 3.25Å; R151-F153 PolarHBondContact O-N 3.1Å; R151-L154 WeakPolarHBondContact O-CB 3.39Å; R151-L154 PolarHBondContact O-N 3.44Å; R151-N155 WeakPolarHBondContact O-CB 3.34Å; R151-N155 PolarHBondContact O-N 3.42Å; R151-N155 PolarHBondContact O-OD1 2.99Å; R151-V197 HydrophobicContact CG-CG1 4.03Å; R151-V197 HydrophobicContact CG-CG2 4.07Å; R151-V197 VanDerWaalsContact NH2-CG2 3.28Å; R151-M200 PolarHBondContact NH1-SD 2.93Å
152V86.6Confident83.7Confident22 Ų2221.8 Ų21.813%0.13311%0.109CC..Hα-helixtrans-63.4-30.1176.1170.70000112.3R123 L126 R148 V149 S156R123-V152 HydrophobicContact CG-CG1 4.26Å; L126-V152 HydrophobicContact CD1-CB 4.29Å; L126-V152 HydrophobicContact CD1-CG2 3.98Å; R148-V152 HydrophobicContact CG-CG2 4.42Å; R148-V152 WeakPolarHBondContact O-CB 3.23Å; R148-V152 WeakPolarHBondContact O-CG2 3.29Å; R148-V152 PolarHBondContact O-N 3.28Å; V149-V152 PolarHBondContact O-N 3.29Å; V152-S156 WeakPolarHBondContact O-CB 3.47Å; V152-S156 PolarHBondContact O-N 3.45Å; V152-S156 PolarHBondContact O-OG 2.8Å
153F79.3Confident82.6Confident11 Ų1122.7 Ų22.75%0.04811%0.113CC..Hα-helixtrans-76.7-40171.6-71.5-27.8000113.8V149 A150 R151 N155 G157 K158 K161 A162 I165 L490V149-F153 HydrophobicContact CG1-CD2 3.83Å; V149-F153 HydrophobicContact CG1-CE2 3.46Å; V149-F153 VanDerWaalsContact CG1-CE2 3.46Å; V149-F153 HydrophobicContact CG1-CZ 3.95Å; V149-F153 PolarHBondContact O-N 3.36Å; A150-F153 PolarHBondContact O-N 2.81Å; R151-F153 VanDerWaalsContact C-N 3.25Å; R151-F153 PolarHBondContact O-N 3.1Å; F153-N155 PolarHBondContact O-N 3.35Å; F153-G157 PolarHBondContact O-N 3.36Å; F153-K158 HydrophobicContact CB-CB 4.05Å; F153-K158 HydrophobicContact CD1-CB 4.04Å; F153-K158 HydrophobicContact CD1-CD 3.94Å; F153-K158 HydrophobicContact CE1-CD 4.23Å; F153-K158 HydrophobicContact CG-CB 4.25Å; F153-K158 CarbonylContact O-C 3.41Å; F153-K158 WeakPolarHBondContact O-CA 3.37Å; F153-K158 PolarHBondContact O-N 3.03Å; F153-K161 HydrophobicContact CB-CB 4.34Å; F153-K161 HydrophobicContact CD2-CB 3.38Å; F153-K161 HydrophobicContact CD2-CD 4.45Å; F153-K161 HydrophobicContact CE1-CD 4.31Å; F153-K161 HydrophobicContact CE2-CB 3.66Å; F153-K161 HydrophobicContact CE2-CD 4.02Å; F153-K161 HydrophobicContact CE2-CG 4.49Å; F153-K161 HydrophobicContact CG-CB 3.88Å; F153-K161 HydrophobicContact CZ-CB 4.37Å; F153-K161 HydrophobicContact CZ-CD 3.95Å; F153-A162 HydrophobicContact CB-CB 3.97Å; F153-I165 HydrophobicContact CD2-CD1 3.94Å; F153-I165 HydrophobicContact CE2-CD1 3.95Å; F153-L490 HydrophobicContact CE1-CD1 3.76Å; F153-L490 HydrophobicContact CZ-CD1 4.06Å
154L79Confident81.6Confident5 Ų525.7 Ų25.73%0.02613%0.134CC..Hα-helixtrans-52.5-48.6167.3165.163000110.2A150 R151 G157 L159 A162 V197 M200 V201 K204A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 2.96Å; R151-L154 WeakPolarHBondContact O-CB 3.39Å; R151-L154 PolarHBondContact O-N 3.44Å; L154-G157 PolarHBondContact O-N 2.9Å; L154-L159 HydrophobicContact CB-CD2 4.49Å; L154-L159 HydrophobicContact CD1-CD2 3.78Å; L154-L159 WeakPolarHBondContact O-CD2 3.47Å; L154-A162 HydrophobicContact CB-CB 4.42Å; L154-V197 HydrophobicContact CD2-CG1 4.11Å; L154-M200 HydrophobicContact CD2-CB 3.77Å; L154-M200 HydrophobicContact CD2-CE 4.25Å; L154-V201 HydrophobicContact CD1-CB 4.48Å; L154-V201 HydrophobicContact CD1-CG2 3.97Å; L154-K204 HydrophobicContact CD1-CB 4.26Å; L154-K204 HydrophobicContact CD1-CD 3.9Å; L154-K204 PolarHBondContact O-NZ 3.23Å
155N77.8Confident80.9Confident25 Ų2526 Ų2613%0.13414%0.136CC..Hα-helixtrans-63.8-54.6-176.5-67.321.5000111.1Y117 R151 F153 G157 K204 E660Y117-N155 PolarHBondContact OH-ND2 3.16Å; R151-N155 WeakPolarHBondContact O-CB 3.34Å; R151-N155 PolarHBondContact O-N 3.42Å; R151-N155 PolarHBondContact O-OD1 2.99Å; F153-N155 PolarHBondContact O-N 3.35Å; N155-G157 PolarHBondContact O-N 3.3Å; N155-K204 PolarHBondContact O-NZ 2.93Å; N155-E660 WeakPolarHBondContact CA-OE2 3.22Å; N155-E660 HydrophobicContact CB-CB 4.42Å; N155-E660 HydrophobicContact CB-CG 4.13Å; N155-E660 WeakPolarHBondContact CB-OE2 3.17Å; N155-E660 VanDerWaalsContact CG-CG 3.48Å; N155-E660 WeakPolarHBondContact ND2-CB 3.42Å; N155-E660 WeakPolarHBondContact OD1-CG 3.33Å
156S70.6Confident80.4Confident46 Ų4626 Ų2632%0.32214%0.135SC..THydrogen-bonded Turntrans-72.815.7178.159.30000115.8V152 K158V152-S156 WeakPolarHBondContact O-CB 3.47Å; V152-S156 PolarHBondContact O-N 3.45Å; V152-S156 PolarHBondContact O-OG 2.8Å; S156-K158 PolarHBondContact O-N 3.39Å
157G67.4Low79.7Confident10 Ų1026.4 Ų26.410%0.10314%0.139CC..THydrogen-bonded Turntrans69.39.9176.200000114.9F153 L154 N155 L159 L1037F153-G157 PolarHBondContact O-N 3.36Å; L154-G157 PolarHBondContact O-N 2.9Å; N155-G157 PolarHBondContact O-N 3.3Å; G157-L159 PolarHBondContact O-N 3.15Å; G157-L1037 WeakPolarHBondContact O-CD1 3.37Å
158K68.3Low79Confident90 Ų9028 Ų2839%0.39115%0.15SC..  trans-86.250.1-179-65.8175.8-177.1177.30110.4F153 S156 Q160 K161 A162F153-K158 HydrophobicContact CB-CB 4.05Å; F153-K158 HydrophobicContact CD1-CB 4.04Å; F153-K158 HydrophobicContact CD1-CD 3.94Å; F153-K158 HydrophobicContact CE1-CD 4.23Å; F153-K158 HydrophobicContact CG-CB 4.25Å; F153-K158 CarbonylContact O-C 3.41Å; F153-K158 WeakPolarHBondContact O-CA 3.37Å; F153-K158 PolarHBondContact O-N 3.03Å; S156-K158 PolarHBondContact O-N 3.39Å; K158-Q160 VanDerWaalsContact C-N 3.32Å; K158-Q160 PolarHBondContact O-N 2.91Å; K158-K161 WeakPolarHBondContact O-CB 3.27Å; K158-K161 PolarHBondContact O-N 2.89Å; K158-A162 PolarHBondContact O-N 2.93Å
159L69.5Low78.7Confident9 Ų927.2 Ų27.25%0.04715%0.147CC..Hα-helixtrans-59.6-37.6-163.3-57.5-173000113.4L154 G157 K161 A162 E163 V201 K204 L205 L1037L154-L159 HydrophobicContact CB-CD2 4.49Å; L154-L159 HydrophobicContact CD1-CD2 3.78Å; L154-L159 WeakPolarHBondContact O-CD2 3.47Å; G157-L159 PolarHBondContact O-N 3.15Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 3.33Å; L159-A162 WeakPolarHBondContact O-CB 3.21Å; L159-A162 PolarHBondContact O-N 3.01Å; L159-A162 VanDerWaalsContact O-N 3.16Å; L159-E163 WeakPolarHBondContact O-CB 3.24Å; L159-E163 PolarHBondContact O-N 2.84Å; L159-V201 HydrophobicContact CB-CG1 4.18Å; L159-V201 HydrophobicContact CD1-CG1 4.46Å; L159-K204 HydrophobicContact CD2-CD 4.45Å; L159-L205 HydrophobicContact CD1-CD2 3.41Å; L159-L205 VanDerWaalsContact CD1-CD2 3.41Å; L159-L205 HydrophobicContact CD1-CG 4.19Å; L159-L1037 HydrophobicContact CD1-CD1 3.69Å; L159-L1037 HydrophobicContact CG-CD1 3.91Å
160Q63.2Low78.4Confident78 Ų7826.7 Ų26.736%0.36414%0.144SC..Hα-helixtrans-56.6-36.5173.2-67.9171.36.400113.2K158 S164 L953 K1035K158-Q160 VanDerWaalsContact C-N 3.32Å; K158-Q160 PolarHBondContact O-N 2.91Å; Q160-S164 WeakPolarHBondContact O-CB 3.37Å; Q160-S164 PolarHBondContact O-N 3.37Å; Q160-L953 HydrophobicContact CG-CB 3.82Å; Q160-L953 HydrophobicContact CG-CD1 4.21Å; Q160-L953 PolarHBondContact NE2-O 3.43Å; Q160-K1035 PolarHBondContact NE2-O 2.9Å
161K73.3Confident78.3Confident69 Ų6929.4 Ų29.430%0.316%0.155SC..Hα-helixtrans-77.1-34.1177.7-63.6-166.4175.2-170.10112.4F153 K158 L159 I165 T488 N489F153-K161 HydrophobicContact CB-CB 4.34Å; F153-K161 HydrophobicContact CD2-CB 3.38Å; F153-K161 HydrophobicContact CD2-CD 4.45Å; F153-K161 HydrophobicContact CE1-CD 4.31Å; F153-K161 HydrophobicContact CE2-CB 3.66Å; F153-K161 HydrophobicContact CE2-CD 4.02Å; F153-K161 HydrophobicContact CE2-CG 4.49Å; F153-K161 HydrophobicContact CG-CB 3.88Å; F153-K161 HydrophobicContact CZ-CB 4.37Å; F153-K161 HydrophobicContact CZ-CD 3.95Å; K158-K161 WeakPolarHBondContact O-CB 3.27Å; K158-K161 PolarHBondContact O-N 2.89Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 3.33Å; K161-I165 WeakPolarHBondContact O-CG1 3.33Å; K161-I165 PolarHBondContact O-N 2.91Å; K161-T488 PolarHBondContact NZ-O 3.46Å; K161-N489 PolarHBondContact NZ-O 2.87Å
162A76.3Confident78Confident0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-62.9-50.917000000110.2A150 F153 L154 K158 L159 S164 I165 L166 V201A150-A162 VanDerWaalsContact O-CB 3.31Å; A150-A162 WeakPolarHBondContact O-CB 3.39Å; F153-A162 HydrophobicContact CB-CB 3.97Å; L154-A162 HydrophobicContact CB-CB 4.42Å; K158-A162 PolarHBondContact O-N 2.93Å; L159-A162 WeakPolarHBondContact O-CB 3.21Å; L159-A162 PolarHBondContact O-N 3.01Å; L159-A162 VanDerWaalsContact O-N 3.16Å; A162-S164 VanDerWaalsContact C-N 3.33Å; A162-S164 PolarHBondContact O-N 3.35Å; A162-I165 PolarHBondContact O-N 2.93Å; A162-I165 VanDerWaalsContact O-N 3.15Å; A162-L166 HydrophobicContact CB-CD1 4.41Å; A162-L166 WeakPolarHBondContact O-CD1 3.35Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 2.88Å; A162-V201 HydrophobicContact CB-CG2 4.27Å
163E73.7Confident78Confident22 Ų2237.9 Ų37.910%0.10319%0.192CC..Hα-helixtrans-58.1-40.9-178.9-176.966.317400112.8L159 L166 S167 R198L159-E163 WeakPolarHBondContact O-CB 3.24Å; L159-E163 PolarHBondContact O-N 2.84Å; E163-L166 PolarHBondContact O-N 3.49Å; E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.31Å; E163-S167 PolarHBondContact O-OG 2.85Å; E163-R198 IonicContact OE1-CZ 2.89Å; E163-R198 IonicContact OE1-NE 2.68Å; E163-R198 PolarHBondContact OE1-NE 2.81Å; E163-R198 IonicContact OE1-NH2 2.63Å; E163-R198 PolarHBondContact OE1-NH2 2.74Å; E163-R198 WeakPolarHBondContact OE2-CG 3.41Å; E163-R198 IonicContact OE2-NE 3.61Å; E163-R198 PolarHBondContact OE2-NE 3.09Å
164S75.8Confident78.3Confident63 Ų6337.4 Ų37.444%0.44119%0.19SC..Hα-helixtrans-62.2-44175.8175.60000112.7Q160 A162 S168Q160-S164 WeakPolarHBondContact O-CB 3.37Å; Q160-S164 PolarHBondContact O-N 3.37Å; A162-S164 VanDerWaalsContact C-N 3.33Å; A162-S164 PolarHBondContact O-N 3.35Å; S164-S168 WeakPolarHBondContact O-CB 3.06Å; S164-S168 PolarHBondContact O-N 2.82Å; S164-S168 VanDerWaalsContact O-N 3.07Å
165I82Confident78.8Confident14 Ų1440.1 Ų40.17%0.07221%0.207CC..Hα-helixtrans-66.6-47177.9-65.5168.4000110.2I146 V149 A150 F153 K161 A162 S168 L169I146-I165 HydrophobicContact CG2-CG2 3.73Å; V149-I165 HydrophobicContact CB-CD1 4.11Å; V149-I165 HydrophobicContact CG1-CD1 3.62Å; A150-I165 HydrophobicContact CB-CB 4.22Å; A150-I165 HydrophobicContact CB-CG2 4.04Å; F153-I165 HydrophobicContact CD2-CD1 3.94Å; F153-I165 HydrophobicContact CE2-CD1 3.95Å; K161-I165 WeakPolarHBondContact O-CG1 3.33Å; K161-I165 PolarHBondContact O-N 2.91Å; A162-I165 PolarHBondContact O-N 2.93Å; A162-I165 VanDerWaalsContact O-N 3.15Å; I165-S168 WeakPolarHBondContact O-CB 3.27Å; I165-S168 PolarHBondContact O-N 3Å; I165-L169 HydrophobicContact CG2-CD1 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.1Å; I165-L169 PolarHBondContact O-N 2.79Å
166L85.8Confident79.3Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-65.3-43.9-177.7-63.4166000111.5A150 A162 E163 S168 L169 I170 V197 R198 V201A150-L166 HydrophobicContact CB-CD1 4.37Å; A150-L166 HydrophobicContact CB-CD2 3.84Å; A150-L166 HydrophobicContact CB-CG 3.9Å; A162-L166 HydrophobicContact CB-CD1 4.41Å; A162-L166 WeakPolarHBondContact O-CD1 3.35Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 2.88Å; E163-L166 PolarHBondContact O-N 3.49Å; L166-S168 VanDerWaalsContact C-N 3.35Å; L166-S168 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 2.96Å; L166-I170 WeakPolarHBondContact O-CB 3.23Å; L166-I170 WeakPolarHBondContact O-CD1 3.48Å; L166-I170 WeakPolarHBondContact O-CG1 3.28Å; L166-I170 PolarHBondContact O-N 2.86Å; L166-V197 HydrophobicContact CD1-CB 4.03Å; L166-V197 HydrophobicContact CD1-CG1 3.69Å; L166-V197 HydrophobicContact CD2-CB 3.8Å; L166-V197 HydrophobicContact CD2-CG1 4Å; L166-V197 HydrophobicContact CG-CG1 4.48Å; L166-R198 HydrophobicContact CD1-CB 4.47Å; L166-V201 HydrophobicContact CD1-CG2 4.16Å
167S81.6Confident80Confident15 Ų1540.7 Ų40.711%0.10522%0.222CC..Hα-helixtrans-62.8-40.5175.6-61.30000111.8E163 L169 I170 Y171E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.31Å; E163-S167 PolarHBondContact O-OG 2.85Å; S167-L169 PolarHBondContact O-N 3.02Å; S167-I170 PolarHBondContact O-N 3.39Å; S167-Y171 WeakPolarHBondContact O-CB 3.49Å; S167-Y171 WeakPolarHBondContact O-CD2 3.24Å; S167-Y171 PolarHBondContact O-N 2.84Å
168S82.4Confident81.1Confident37 Ų3743.1 Ų43.126%0.25924%0.236SC..Hα-helixtrans-58.6-46.9174-171.40000111.6S164 I165 L166 R172S164-S168 WeakPolarHBondContact O-CB 3.06Å; S164-S168 PolarHBondContact O-N 2.82Å; S164-S168 VanDerWaalsContact O-N 3.07Å; I165-S168 WeakPolarHBondContact O-CB 3.27Å; I165-S168 PolarHBondContact O-N 3Å; L166-S168 VanDerWaalsContact C-N 3.35Å; L166-S168 PolarHBondContact O-N 3.39Å; S168-R172 WeakPolarHBondContact O-CB 3.4Å; S168-R172 VanDerWaalsContact O-CG 3.23Å; S168-R172 WeakPolarHBondContact O-CG 3.44Å; S168-R172 PolarHBondContact O-N 3.23Å; S168-R172 VanDerWaalsContact O-N 3.08Å
169L88.4Confident82.3Confident3 Ų339.7 Ų39.72%0.01622%0.221CC..Hα-helixtrans-66.1-41.1177-68.4171.9000112.7I146 I147 I165 L166 S167 G174 T176 V190 S194I146-L169 HydrophobicContact CG2-CD1 4.26Å; I147-L169 HydrophobicContact CD1-CD1 4.07Å; I147-L169 HydrophobicContact CG1-CD1 3.56Å; I165-L169 HydrophobicContact CG2-CD1 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.1Å; I165-L169 PolarHBondContact O-N 2.79Å; L166-L169 PolarHBondContact O-N 2.96Å; S167-L169 PolarHBondContact O-N 3.02Å; L169-G174 VanDerWaalsContact O-CA 3.27Å; L169-G174 WeakPolarHBondContact O-CA 3.16Å; L169-G174 PolarHBondContact O-N 2.99Å; L169-T176 HydrophobicContact CD2-CG2 4.14Å; L169-V190 HydrophobicContact CD2-CG1 4.24Å; L169-S194 WeakPolarHBondContact CB-OG 3.49Å
170I87.1Confident83.5Confident4 Ų443.2 Ų43.22%0.02124%0.242CC..Hα-helixtrans-64.8-52.1-179.8-69.1164.4000110.7L166 S167 Q191 V195 R198 L455L166-I170 WeakPolarHBondContact O-CB 3.23Å; L166-I170 WeakPolarHBondContact O-CD1 3.48Å; L166-I170 WeakPolarHBondContact O-CG1 3.28Å; L166-I170 PolarHBondContact O-N 2.86Å; S167-I170 PolarHBondContact O-N 3.39Å; I170-Q191 PolarHBondContact O-NE2 2.93Å; I170-V195 HydrophobicContact CD1-CG2 3.84Å; I170-V195 HydrophobicContact CG1-CG2 3.98Å; I170-R198 HydrophobicContact CD1-CB 4.45Å; I170-L455 HydrophobicContact CG2-CD2 3.95Å
171Y84.1Confident85.1Confident58 Ų5841 Ų4123%0.22723%0.231CC..Hα-helixtrans-84.2-8-172.9-56.1-54.8000114.3S167 R198 Q459 H462S167-Y171 WeakPolarHBondContact O-CB 3.49Å; S167-Y171 WeakPolarHBondContact O-CD2 3.24Å; S167-Y171 PolarHBondContact O-N 2.84Å; Y171-R198 PolarHBondContact OH-NH1 3.41Å; Y171-Q459 HydrophobicContact CD1-CB 4.14Å; Y171-Q459 HydrophobicContact CD1-CG 3.86Å; Y171-Q459 HydrophobicContact CE1-CB 3.66Å; Y171-Q459 HydrophobicContact CE1-CG 3.76Å; Y171-H462 AromaticContact CE2-CD2 3.75Å
172R86.2Confident86Confident132 Ų13243.3 Ų43.350%0.49824%0.243SC..THydrogen-bonded Turntrans-101.826.5170.3-62.8-180172.1-163.9-0.3113.2S168 G174 T175S168-R172 WeakPolarHBondContact O-CB 3.4Å; S168-R172 VanDerWaalsContact O-CG 3.23Å; S168-R172 WeakPolarHBondContact O-CG 3.44Å; S168-R172 PolarHBondContact O-N 3.23Å; S168-R172 VanDerWaalsContact O-N 3.08Å; R172-G174 VanDerWaalsContact C-N 3.32Å; R172-G174 PolarHBondContact O-N 3.21Å; R172-T175 WeakPolarHBondContact O-CB 3.44Å; R172-T175 PolarHBondContact O-N 3.09Å; R172-T175 PolarHBondContact O-OG1 3.47Å
173N86.8Confident86.8Confident105 Ų10545.8 Ų45.856%0.56126%0.26SS*.THydrogen-bonded Turntrans49.350.5-179.6-64-11.2000112.5T175 K187N173-T175 PolarHBondContact O-N 2.65Å; N173-K187 WeakPolarHBondContact O-CB 3.35Å
174G85.4Confident87.7Confident0 Ų050 Ų500%028%0.283CS..THydrogen-bonded Turntrans70-11-179.300000115.8L169 R172 Y181L169-G174 VanDerWaalsContact O-CA 3.27Å; L169-G174 WeakPolarHBondContact O-CA 3.16Å; L169-G174 PolarHBondContact O-N 2.99Å; R172-G174 VanDerWaalsContact C-N 3.32Å; R172-G174 PolarHBondContact O-N 3.21Å; G174-Y181 PolarHBondContact O-OH 2.95Å
175T89.4Confident88.5Confident62 Ų6248.6 Ų48.638%0.3827%0.273SS..  trans-70.1142.9-171.3640000113.2R172 N173 Y181 K187R172-T175 WeakPolarHBondContact O-CB 3.44Å; R172-T175 PolarHBondContact O-N 3.09Å; R172-T175 PolarHBondContact O-OG1 3.47Å; N173-T175 PolarHBondContact O-N 2.65Å; T175-Y181 HydrophobicContact CG2-CE2 4.5Å; T175-K187 HydrophobicContact CG2-CD 4.43Å
176T87.8Confident89.2Confident22 Ų2249 Ų4914%0.13528%0.275CS..  trans-158.7142.5179.9-170.90000112.6P143 I146 L169 W179P143-T176 HydrophobicContact CG-CG2 4.11Å; I146-T176 HydrophobicContact CD1-CG2 3.49Å; I146-T176 VanDerWaalsContact CD1-CG2 3.49Å; I146-T176 WeakPolarHBondContact CD1-OG1 3.4Å; L169-T176 HydrophobicContact CD2-CG2 4.14Å; T176-W179 WeakPolarHBondContact O-CB 3.22Å; T176-W179 PolarHBondContact O-N 3.4Å
177G86.1Confident89.6Confident61 Ų6151.5 Ų51.563%0.62929%0.286SS*.THydrogen-bonded Turntrans48.7-141.218000000113.4
178C89.3Confident90.3Very high61 Ų6151.3 Ų51.341%0.41228%0.284SS..THydrogen-bonded Turntrans-94.419.1173.4-57.60000113V180C178-V180 PolarHBondContact O-N 2.86Å
179W94.8Very high91.1Very high19 Ų1950 Ų507%0.07228%0.275CS..PPolyproline II helixtrans-71.1121.5-176.1-169.9-86000111.9M55 W57 F110 P140 I141 A142 P143 T176 Y181M55-W179 HydrophobicContact CB-CD2 4.34Å; M55-W179 HydrophobicContact CB-CH2 3.86Å; M55-W179 HydrophobicContact CB-CZ2 3.55Å; M55-W179 HydrophobicContact CB-CZ3 4.36Å; M55-W179 HydrophobicContact CG-CD2 4.15Å; M55-W179 HydrophobicContact CG-CE3 3.99Å; M55-W179 HydrophobicContact CG-CH2 3.73Å; M55-W179 HydrophobicContact CG-CZ2 3.9Å; M55-W179 HydrophobicContact CG-CZ3 3.77Å; M55-W179 HydrophobicContact SD-CD2 4.25Å; M55-W179 HydrophobicContact SD-CE3 4.23Å; W57-W179 WeakPolarHBondContact O-CZ2 3.48Å; F110-W179 AromaticContact CD1-CH2 3.99Å; F110-W179 HydrophobicContact CD1-CH2 3.99Å; F110-W179 AromaticContact CE1-CH2 3.54Å; F110-W179 HydrophobicContact CE1-CH2 3.54Å; F110-W179 HydrophobicContact CE1-CZ2 4Å; F110-W179 HydrophobicContact CE1-CZ3 4.5Å; F110-W179 HydrophobicContact CZ-CH2 4.42Å; P140-W179 HydrophobicContact CB-CE3 3.86Å; P140-W179 HydrophobicContact CB-CZ3 4.41Å; I141-W179 VanDerWaalsContact C-CE3 3.43Å; A142-W179 VanDerWaalsContact CA-CE3 3.49Å; A142-W179 VanDerWaalsContact CA-CZ3 3.44Å; A142-W179 HydrophobicContact CB-CE3 4.32Å; A142-W179 HydrophobicContact CB-CH2 3.95Å; A142-W179 HydrophobicContact CB-CZ3 3.77Å; P143-W179 HydrophobicContact CG-CG 4.29Å; T176-W179 WeakPolarHBondContact O-CB 3.22Å; T176-W179 PolarHBondContact O-N 3.4Å; W179-Y181 HydrophobicContact CB-CE2 4.45Å; W179-Y181 AromaticContact CD1-CD2 3.98Å; W179-Y181 AromaticContact CD1-CE1 3.96Å; W179-Y181 AromaticContact CD1-CE2 3.76Å; W179-Y181 AromaticContact CD1-CZ 3.76Å; W179-Y181 HydrophobicContact CG-CE2 4.48Å; W179-Y181 WeakPolarHBondContact O-CD2 3.46Å
180V95.1Very high91.5Very high82 Ų8249.9 Ų49.950%0.49727%0.274SS..PPolyproline II helixtrans-88.5125.9178.6-176.50000110M55 C178M55-V180 HydrophobicContact CE-CB 3.77Å; M55-V180 HydrophobicContact CE-CG2 3.76Å; M55-V180 HydrophobicContact SD-CB 4Å; M55-V180 HydrophobicContact SD-CG2 4.18Å; M55-V180 PolarHBondContact SD-N 3.25Å; M55-V180 VanDerWaalsContact SD-N 3.4Å; C178-V180 PolarHBondContact O-N 2.86Å
181Y95.9Very high91.9Very high31 Ų3150.4 Ų50.412%0.12228%0.276CS..PPolyproline II helixtrans-97.5127.9179.8-72.3-86.6000110.6P58 P143 G174 T175 W179 D186 K187 V190P58-Y181 HydrophobicContact CB-CE1 4.07Å; P143-Y181 HydrophobicContact CG-CE1 4.3Å; P143-Y181 WeakPolarHBondContact CG-OH 3.24Å; G174-Y181 PolarHBondContact O-OH 2.95Å; T175-Y181 HydrophobicContact CG2-CE2 4.5Å; W179-Y181 HydrophobicContact CB-CE2 4.45Å; W179-Y181 AromaticContact CD1-CD2 3.98Å; W179-Y181 AromaticContact CD1-CE1 3.96Å; W179-Y181 AromaticContact CD1-CE2 3.76Å; W179-Y181 AromaticContact CD1-CZ 3.76Å; W179-Y181 HydrophobicContact CG-CE2 4.48Å; W179-Y181 WeakPolarHBondContact O-CD2 3.46Å; Y181-D186 HydrophobicContact CD1-CB 3.64Å; Y181-D186 HydrophobicContact CE1-CB 4.28Å; Y181-K187 HydrophobicContact CD1-CG 3.79Å; Y181-K187 HydrophobicContact CD2-CG 4.14Å; Y181-K187 HydrophobicContact CE1-CG 4.17Å; Y181-K187 HydrophobicContact CE2-CG 4.5Å; Y181-K187 HydrophobicContact CG-CD 4.5Å; Y181-K187 HydrophobicContact CG-CG 3.75Å; Y181-V190 HydrophobicContact CE1-CG2 4.06Å
182H92.4Very high92.5Very high118 Ų11847.7 Ų47.755%0.54627%0.265SS..SBendtrans-78.9-28.2-177.9-75.981.5000112.8Q54 M55Q54-H182 PolarHBondContact O-CE1 2.84Å; Q54-H182 VanDerWaalsContact O-CE1 3.22Å; M55-H182 PolarHBondContact O-CE1 2.8Å; M55-H182 PolarHBondContact O-ND1 3.46Å
183C92.2Very high93.1Very high53 Ų5342 Ų4236%0.35825%0.245SC..SBendtrans-142.8160.9170.868.20000112.2S185 D186C183-S185 VanDerWaalsContact C-N 3.27Å; C183-S185 PolarHBondContact O-N 3.05Å; C183-S185 PolarHBondContact SG-OG 3.27Å; C183-D186 PolarHBondContact N-OD2 2.75Å; C183-D186 VanDerWaalsContact N-OD2 3.15Å; C183-D186 WeakPolarHBondContact O-CB 3.35Å; C183-D186 PolarHBondContact O-N 2.7Å; C183-D186 PolarHBondContact SG-OD2 2.92Å
184D92.4Very high93.5Very high109 Ų10937 Ų3758%0.58322%0.218SC*.Hα-helixtrans-69.4-24176.6-72.7-50.8000112.9D186 K187 V188D184-D186 VanDerWaalsContact C-N 3.25Å; D184-D186 PolarHBondContact O-N 2.98Å; D184-K187 WeakPolarHBondContact O-CB 3.32Å; D184-K187 PolarHBondContact O-N 2.63Å; D184-K187 VanDerWaalsContact O-N 3.1Å; D184-K187 WeakPolarHBondContact OD1-CD 3.25Å; D184-K187 WeakPolarHBondContact OD1-CE 2.97Å; D184-K187 IonicContact OD1-NZ 2.74Å; D184-K187 PolarHBondContact OD1-NZ 2.78Å; D184-V188 WeakPolarHBondContact O-CG2 3.44Å; D184-V188 PolarHBondContact O-N 3.41Å; D184-V188 VanDerWaalsContact O-N 3.16Å
185S94Very high93.9Very high34 Ų3437 Ų3724%0.23822%0.219CC..Hα-helixtrans-65.6-25172.8350000113.7C183 K187 V188 L189 L225 P226C183-S185 VanDerWaalsContact C-N 3.27Å; C183-S185 PolarHBondContact O-N 3.05Å; C183-S185 PolarHBondContact SG-OG 3.27Å; S185-K187 VanDerWaalsContact C-N 3.3Å; S185-K187 PolarHBondContact O-N 3.09Å; S185-V188 PolarHBondContact O-N 2.93Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 PolarHBondContact O-N 3.41Å; S185-L225 WeakPolarHBondContact O-CD2 3.48Å; S185-P226 VanDerWaalsContact CB-CD 3.42Å
186D95.5Very high94.3Very high23 Ų2334.3 Ų34.312%0.12320%0.202CC..Hα-helixtrans-64.5-37.1171.3-69.1-46.6000111.5P58 Y181 C183 D184 L189 V190P58-D186 VanDerWaalsContact CD-OD1 3.26Å; P58-D186 WeakPolarHBondContact CD-OD1 3.44Å; P58-D186 HydrophobicContact CG-CB 3.85Å; Y181-D186 HydrophobicContact CD1-CB 3.64Å; Y181-D186 HydrophobicContact CE1-CB 4.28Å; C183-D186 PolarHBondContact N-OD2 2.75Å; C183-D186 VanDerWaalsContact N-OD2 3.15Å; C183-D186 WeakPolarHBondContact O-CB 3.35Å; C183-D186 PolarHBondContact O-N 2.7Å; C183-D186 PolarHBondContact SG-OD2 2.92Å; D184-D186 VanDerWaalsContact C-N 3.25Å; D184-D186 PolarHBondContact O-N 2.98Å; D186-L189 WeakPolarHBondContact O-CB 3.46Å; D186-L189 PolarHBondContact O-N 2.88Å; D186-V190 WeakPolarHBondContact O-CG2 3.32Å; D186-V190 PolarHBondContact O-N 2.58Å
187K95.5Very high94.6Very high53 Ų5333.2 Ų33.223%0.2320%0.195CC..Hα-helixtrans-67.8-43.6176.3-62.5172.2-167.5163.20111N173 T175 Y181 D184 S185 L189 V190 Q191N173-K187 WeakPolarHBondContact O-CB 3.35Å; T175-K187 HydrophobicContact CG2-CD 4.43Å; Y181-K187 HydrophobicContact CD1-CG 3.79Å; Y181-K187 HydrophobicContact CD2-CG 4.14Å; Y181-K187 HydrophobicContact CE1-CG 4.17Å; Y181-K187 HydrophobicContact CE2-CG 4.5Å; Y181-K187 HydrophobicContact CG-CD 4.5Å; Y181-K187 HydrophobicContact CG-CG 3.75Å; D184-K187 WeakPolarHBondContact O-CB 3.32Å; D184-K187 PolarHBondContact O-N 2.63Å; D184-K187 VanDerWaalsContact O-N 3.1Å; D184-K187 WeakPolarHBondContact OD1-CD 3.25Å; D184-K187 WeakPolarHBondContact OD1-CE 2.97Å; D184-K187 IonicContact OD1-NZ 2.74Å; D184-K187 PolarHBondContact OD1-NZ 2.78Å; S185-K187 VanDerWaalsContact C-N 3.3Å; S185-K187 PolarHBondContact O-N 3.09Å; K187-L189 VanDerWaalsContact C-N 3.31Å; K187-L189 PolarHBondContact O-N 3.44Å; K187-V190 PolarHBondContact O-N 3.01Å; K187-Q191 WeakPolarHBondContact O-CG 3.45Å; K187-Q191 PolarHBondContact O-N 2.89Å
188V96.1Very high94.7Very high11 Ų1131 Ų317%0.06717%0.168CC..Hα-helixtrans-60.3-41174.2177.80000110.9D184 S185 Q191 A192 L225 L448 F451D184-V188 WeakPolarHBondContact O-CG2 3.44Å; D184-V188 PolarHBondContact O-N 3.41Å; D184-V188 VanDerWaalsContact O-N 3.16Å; S185-V188 PolarHBondContact O-N 2.93Å; V188-Q191 PolarHBondContact O-N 2.85Å; V188-A192 WeakPolarHBondContact O-CB 3.28Å; V188-A192 PolarHBondContact O-N 3Å; V188-L225 HydrophobicContact CB-CD2 3.97Å; V188-L225 HydrophobicContact CG1-CD2 3.81Å; V188-L448 HydrophobicContact CB-CD1 4.42Å; V188-L448 HydrophobicContact CG1-CD1 3.96Å; V188-L448 HydrophobicContact CG2-CD1 3.51Å; V188-L448 HydrophobicContact CG2-CD2 4.45Å; V188-F451 HydrophobicContact CG1-CD1 3.95Å; V188-F451 HydrophobicContact CG1-CE1 3.97Å
189L97.6Very high94.8Very high10 Ų1028.1 Ų28.15%0.05215%0.148CC..Hα-helixtrans-62-43.5174.317663.4000111.8P58 F59 Y66 S185 D186 K187 Q191 A192 V193 Y222 L225 D229P58-L189 HydrophobicContact CG-CD2 4.25Å; F59-L189 HydrophobicContact CD2-CD2 3.78Å; F59-L189 HydrophobicContact CD2-CG 3.86Å; F59-L189 HydrophobicContact CE2-CD2 4.29Å; F59-L189 HydrophobicContact CE2-CG 3.88Å; Y66-L189 WeakPolarHBondContact OH-CD2 3.17Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 PolarHBondContact O-N 3.41Å; D186-L189 WeakPolarHBondContact O-CB 3.46Å; D186-L189 PolarHBondContact O-N 2.88Å; K187-L189 VanDerWaalsContact C-N 3.31Å; K187-L189 PolarHBondContact O-N 3.44Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.84Å; L189-A192 PolarHBondContact O-N 2.83Å; L189-V193 HydrophobicContact CD1-CG2 4.26Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.16Å; L189-V193 PolarHBondContact O-N 2.95Å; L189-Y222 HydrophobicContact CD1-CD1 3.95Å; L189-Y222 HydrophobicContact CD1-CE1 3.8Å; L189-L225 HydrophobicContact CB-CD1 4.17Å; L189-L225 HydrophobicContact CB-CD2 4.21Å; L189-L225 HydrophobicContact CD1-CD1 3.84Å; L189-L225 HydrophobicContact CG-CD1 4.5Å; L189-D229 HydrophobicContact CD1-CB 4.23Å
190V97.6Very high94.6Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-62.7-40174174.10000111.7P58 F59 P143 I147 L169 Y181 D186 K187 S194P58-V190 HydrophobicContact CB-CG2 3.64Å; P58-V190 HydrophobicContact CG-CG2 4.07Å; F59-V190 HydrophobicContact CE2-CB 4.37Å; F59-V190 HydrophobicContact CE2-CG2 3.63Å; F59-V190 HydrophobicContact CZ-CG2 4Å; P143-V190 HydrophobicContact CB-CG1 4.1Å; P143-V190 HydrophobicContact CB-CG2 3.6Å; P143-V190 HydrophobicContact CG-CG2 3.96Å; I147-V190 HydrophobicContact CD1-CG1 4.28Å; L169-V190 HydrophobicContact CD2-CG1 4.24Å; Y181-V190 HydrophobicContact CE1-CG2 4.06Å; D186-V190 WeakPolarHBondContact O-CG2 3.32Å; D186-V190 PolarHBondContact O-N 2.58Å; K187-V190 PolarHBondContact O-N 3.01Å; V190-S194 VanDerWaalsContact O-CB 3.31Å; V190-S194 WeakPolarHBondContact O-CB 3.37Å; V190-S194 PolarHBondContact O-N 3.38Å; V190-S194 PolarHBondContact O-OG 3.18Å
191Q95.8Very high93.8Very high15 Ų1524.5 Ų24.57%0.0713%0.127CC..Hα-helixtrans-63.2-47.9173-70178.1-68.800111.6I170 K187 V188 L189 V193 S194 V195 F451I170-Q191 PolarHBondContact O-NE2 2.93Å; K187-Q191 WeakPolarHBondContact O-CG 3.45Å; K187-Q191 PolarHBondContact O-N 2.89Å; V188-Q191 PolarHBondContact O-N 2.85Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.84Å; Q191-V193 PolarHBondContact O-N 2.79Å; Q191-S194 PolarHBondContact O-N 3.02Å; Q191-S194 VanDerWaalsContact O-N 3.1Å; Q191-V195 WeakPolarHBondContact O-CB 3.21Å; Q191-V195 VanDerWaalsContact O-CG2 3.29Å; Q191-V195 WeakPolarHBondContact O-CG2 3.33Å; Q191-V195 PolarHBondContact O-N 2.85Å; Q191-F451 HydrophobicContact CB-CE1 3.96Å; Q191-F451 HydrophobicContact CB-CZ 4.06Å
192A97.5Very high93.2Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-60.5-43.4-179.700000112.4V188 L189 V195 Q196 S218 Y222 F451V188-A192 WeakPolarHBondContact O-CB 3.28Å; V188-A192 PolarHBondContact O-N 3Å; L189-A192 PolarHBondContact O-N 2.83Å; A192-V195 PolarHBondContact O-N 3.28Å; A192-Q196 PolarHBondContact O-N 3.34Å; A192-S218 WeakPolarHBondContact O-CB 3.22Å; A192-Y222 HydrophobicContact CB-CD1 3.89Å; A192-Y222 HydrophobicContact CB-CE1 3.89Å; A192-Y222 HydrophobicContact CB-CG 4.27Å; A192-F451 HydrophobicContact CB-CZ 4.31Å
193V98.1Very high92.8Very high12 Ų1219.6 Ų19.67%0.07311%0.106CC..Hα-helixtrans-65.1-39.6173.2-179.80000111.3F59 I147 L189 Q191 Q196 V197 Y222F59-V193 HydrophobicContact CE1-CB 4.37Å; F59-V193 HydrophobicContact CE1-CG1 4.05Å; F59-V193 HydrophobicContact CE1-CG2 4.25Å; F59-V193 HydrophobicContact CE2-CB 4.4Å; F59-V193 HydrophobicContact CE2-CG2 3.89Å; F59-V193 HydrophobicContact CZ-CB 3.81Å; F59-V193 HydrophobicContact CZ-CG1 3.99Å; F59-V193 HydrophobicContact CZ-CG2 3.71Å; I147-V193 HydrophobicContact CD1-CB 4.28Å; I147-V193 HydrophobicContact CD1-CG1 3.98Å; I147-V193 HydrophobicContact CG2-CG1 4.09Å; L189-V193 HydrophobicContact CD1-CG2 4.26Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.16Å; L189-V193 PolarHBondContact O-N 2.95Å; Q191-V193 PolarHBondContact O-N 2.79Å; V193-Q196 WeakPolarHBondContact O-CB 3.46Å; V193-Q196 PolarHBondContact O-N 2.74Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.89Å; V193-Y222 WeakPolarHBondContact CA-OH 3.47Å; V193-Y222 HydrophobicContact CG2-CE1 3.85Å; V193-Y222 VanDerWaalsContact CG2-OH 3.31Å; V193-Y222 WeakPolarHBondContact CG2-OH 3.48Å
194S95.1Very high92.1Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-65.9-41178-58.40000111.8L169 V190 Q191 V197 R198L169-S194 WeakPolarHBondContact CB-OG 3.49Å; V190-S194 VanDerWaalsContact O-CB 3.31Å; V190-S194 WeakPolarHBondContact O-CB 3.37Å; V190-S194 PolarHBondContact O-N 3.38Å; V190-S194 PolarHBondContact O-OG 3.18Å; Q191-S194 PolarHBondContact O-N 3.02Å; Q191-S194 VanDerWaalsContact O-N 3.1Å; S194-V197 PolarHBondContact O-N 2.83Å; S194-R198 WeakPolarHBondContact O-CB 3.34Å; S194-R198 PolarHBondContact O-N 3.48Å
195V94.8Very high91.1Very high1 Ų115.3 Ų15.31%0.0068%0.077CC..Hα-helixtrans-62.6-42.4172.9169.80000111.3I170 Q191 A192 V197 R198 G199 L214 A217 F451 L455I170-V195 HydrophobicContact CD1-CG2 3.84Å; I170-V195 HydrophobicContact CG1-CG2 3.98Å; Q191-V195 WeakPolarHBondContact O-CB 3.21Å; Q191-V195 VanDerWaalsContact O-CG2 3.29Å; Q191-V195 WeakPolarHBondContact O-CG2 3.33Å; Q191-V195 PolarHBondContact O-N 2.85Å; A192-V195 PolarHBondContact O-N 3.28Å; V195-V197 PolarHBondContact O-N 3.41Å; V195-R198 WeakPolarHBondContact O-CB 3.39Å; V195-R198 PolarHBondContact O-N 3.35Å; V195-G199 PolarHBondContact O-N 3.25Å; V195-L214 HydrophobicContact CG1-CB 4.35Å; V195-L214 HydrophobicContact CG1-CD2 4.29Å; V195-L214 WeakPolarHBondContact CG1-O 3.37Å; V195-A217 HydrophobicContact CG1-CB 3.86Å; V195-F451 HydrophobicContact CG2-CZ 4.44Å; V195-L455 HydrophobicContact CG2-CD2 3.74Å
196Q97.4Very high90.2Very high5 Ų514.3 Ų14.32%0.0237%0.072CC..Hα-helixtrans-58-48.5174.4-178.1-165.185.100111.3A192 V193 R198 G199 M200 I215 Y222 S236 L239A192-Q196 PolarHBondContact O-N 3.34Å; V193-Q196 WeakPolarHBondContact O-CB 3.46Å; V193-Q196 PolarHBondContact O-N 2.74Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 3.01Å; Q196-G199 PolarHBondContact O-N 2.82Å; Q196-M200 WeakPolarHBondContact O-CG 3.27Å; Q196-M200 PolarHBondContact O-N 2.57Å; Q196-I215 HydrophobicContact CG-CD1 4.03Å; Q196-I215 WeakPolarHBondContact O-CD1 3.46Å; Q196-Y222 PolarHBondContact NE2-OH 2.95Å; Q196-S236 PolarHBondContact NE2-OG 3.33Å; Q196-L239 HydrophobicContact CG-CD1 3.78Å
197V94.3Very high89.4Confident0 Ų013.3 Ų13.30%07%0.067CC..Hα-helixtrans-67.3-33.8178.9-175.90000111.4I147 R151 L154 L166 V193 S194 V195 G199 M200 V201I147-V197 HydrophobicContact CG2-CG2 4.14Å; R151-V197 HydrophobicContact CG-CG1 4.03Å; R151-V197 HydrophobicContact CG-CG2 4.07Å; R151-V197 VanDerWaalsContact NH2-CG2 3.28Å; L154-V197 HydrophobicContact CD2-CG1 4.11Å; L166-V197 HydrophobicContact CD1-CB 4.03Å; L166-V197 HydrophobicContact CD1-CG1 3.69Å; L166-V197 HydrophobicContact CD2-CB 3.8Å; L166-V197 HydrophobicContact CD2-CG1 4Å; L166-V197 HydrophobicContact CG-CG1 4.48Å; V193-V197 WeakPolarHBondContact O-CG2 3.47Å; V193-V197 PolarHBondContact O-N 2.89Å; S194-V197 PolarHBondContact O-N 2.83Å; V195-V197 PolarHBondContact O-N 3.41Å; V197-G199 VanDerWaalsContact C-N 3.33Å; V197-G199 PolarHBondContact O-N 2.9Å; V197-M200 CarbonylContact O-C 2.97Å; V197-M200 WeakPolarHBondContact O-CA 3.41Å; V197-M200 WeakPolarHBondContact O-CB 3.4Å; V197-M200 PolarHBondContact O-N 3.1Å; V197-M200 VanDerWaalsContact O-N 3.1Å; V197-V201 PolarHBondContact O-N 3.36Å
198R87.7Confident89Confident15 Ų1514.1 Ų14.16%0.0577%0.068CC..Hα-helixtrans-62.3-40.7172-162.1-178.4-168.3-172.75111.4E163 L166 I170 Y171 S194 V195 Q196 M200 V201 L202 L214E163-R198 IonicContact OE1-CZ 2.89Å; E163-R198 IonicContact OE1-NE 2.68Å; E163-R198 PolarHBondContact OE1-NE 2.81Å; E163-R198 IonicContact OE1-NH2 2.63Å; E163-R198 PolarHBondContact OE1-NH2 2.74Å; E163-R198 WeakPolarHBondContact OE2-CG 3.41Å; E163-R198 IonicContact OE2-NE 3.61Å; E163-R198 PolarHBondContact OE2-NE 3.09Å; L166-R198 HydrophobicContact CD1-CB 4.47Å; I170-R198 HydrophobicContact CD1-CB 4.45Å; Y171-R198 PolarHBondContact OH-NH1 3.41Å; S194-R198 WeakPolarHBondContact O-CB 3.34Å; S194-R198 PolarHBondContact O-N 3.48Å; V195-R198 WeakPolarHBondContact O-CB 3.39Å; V195-R198 PolarHBondContact O-N 3.35Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 3.01Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 3.03Å; R198-V201 WeakPolarHBondContact O-CB 3.48Å; R198-V201 PolarHBondContact O-N 3.29Å; R198-V201 VanDerWaalsContact O-N 3.13Å; R198-L202 PolarHBondContact O-N 2.87Å; R198-L214 HydrophobicContact CB-CD1 3.94Å; R198-L214 HydrophobicContact CG-CD1 3.66Å
199G90.4Very high88.6Confident0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-58.2-40.5169.500000112.9V195 Q196 V197 L202 Q203V195-G199 PolarHBondContact O-N 3.25Å; Q196-G199 PolarHBondContact O-N 2.82Å; V197-G199 VanDerWaalsContact C-N 3.33Å; V197-G199 PolarHBondContact O-N 2.9Å; G199-L202 PolarHBondContact O-N 2.74Å; G199-Q203 WeakPolarHBondContact O-CB 3.43Å; G199-Q203 PolarHBondContact O-N 3.08Å
200M90.3Very high88.1Confident22 Ų2216.3 Ų16.311%0.1088%0.078CC..Hα-helixtrans-67.2-32.6173.5-61.1176.76900113.2R151 L154 Q196 V197 R198 K204 L239 F662R151-M200 PolarHBondContact NH1-SD 2.93Å; L154-M200 HydrophobicContact CD2-CB 3.77Å; L154-M200 HydrophobicContact CD2-CE 4.25Å; Q196-M200 WeakPolarHBondContact O-CG 3.27Å; Q196-M200 PolarHBondContact O-N 2.57Å; V197-M200 CarbonylContact O-C 2.97Å; V197-M200 WeakPolarHBondContact O-CA 3.41Å; V197-M200 WeakPolarHBondContact O-CB 3.4Å; V197-M200 PolarHBondContact O-N 3.1Å; V197-M200 VanDerWaalsContact O-N 3.1Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 3.03Å; M200-K204 PolarHBondContact O-N 3.01Å; M200-K204 VanDerWaalsContact O-N 3.09Å; M200-L239 HydrophobicContact CE-CD2 4.38Å; M200-L239 HydrophobicContact CG-CD1 3.83Å; M200-L239 HydrophobicContact CG-CD2 4.17Å; M200-L239 HydrophobicContact SD-CD1 3.97Å; M200-L239 HydrophobicContact SD-CD2 4.43Å; M200-F662 HydrophobicContact CE-CE2 4.21Å
201V79.9Confident87.7Confident3 Ų316.3 Ų16.32%0.0188%0.078CC..Hα-helixtrans-62.2-53.9170.4175.20000109.5L154 L159 A162 L166 V197 R198 Q203 K204 L205L154-V201 HydrophobicContact CD1-CB 4.48Å; L154-V201 HydrophobicContact CD1-CG2 3.97Å; L159-V201 HydrophobicContact CB-CG1 4.18Å; L159-V201 HydrophobicContact CD1-CG1 4.46Å; A162-V201 HydrophobicContact CB-CG2 4.27Å; L166-V201 HydrophobicContact CD1-CG2 4.16Å; V197-V201 PolarHBondContact O-N 3.36Å; R198-V201 WeakPolarHBondContact O-CB 3.48Å; R198-V201 PolarHBondContact O-N 3.29Å; R198-V201 VanDerWaalsContact O-N 3.13Å; V201-Q203 VanDerWaalsContact C-N 3.27Å; V201-Q203 PolarHBondContact O-N 2.71Å; V201-K204 WeakPolarHBondContact O-CA 3.29Å; V201-K204 PolarHBondContact O-N 3.46Å; V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.42Å; V201-L205 PolarHBondContact O-N 3.15Å
202L82.1Confident87.7Confident3 Ų315.6 Ų15.62%0.0168%0.075CC..Hα-helixtrans-62.5-33.6-179.8-58.6-163.2000112.6R198 G199 L205 G206 L207 Q210 A211 L214 Y948R198-L202 PolarHBondContact O-N 2.87Å; G199-L202 PolarHBondContact O-N 2.74Å; L202-L205 HydrophobicContact CD2-CD1 3.85Å; L202-L205 CarbonylContact O-C 3.59Å; L202-L205 PolarHBondContact O-N 3.29Å; L202-L205 VanDerWaalsContact O-N 3.16Å; L202-G206 PolarHBondContact O-N 3.34Å; L202-L207 HydrophobicContact CB-CB 4.3Å; L202-L207 HydrophobicContact CD2-CD1 4.34Å; L202-L207 PolarHBondContact O-N 3.37Å; L202-Q210 HydrophobicContact CD1-CB 3.55Å; L202-A211 HydrophobicContact CB-CB 3.91Å; L202-L214 HydrophobicContact CD1-CD1 3.48Å; L202-L214 VanDerWaalsContact CD1-CD1 3.48Å; L202-L214 HydrophobicContact CD1-CG 4.35Å; L202-L214 HydrophobicContact CG-CD1 3.93Å; L202-Y948 HydrophobicContact CD2-CE2 4.17Å
203Q85Confident87.5Confident42 Ų4217.3 Ų17.320%0.1968%0.083CC..Hα-helixtrans-60.4-42.5171.6-173.2-175.30.700111.7G199 V201 L205 G206 W208 A211 I243G199-Q203 WeakPolarHBondContact O-CB 3.43Å; G199-Q203 PolarHBondContact O-N 3.08Å; V201-Q203 VanDerWaalsContact C-N 3.27Å; V201-Q203 PolarHBondContact O-N 2.71Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 3.06Å; Q203-G206 PolarHBondContact O-N 3.48Å; Q203-W208 HydrophobicContact CG-CE3 4.36Å; Q203-W208 HydrophobicContact CG-CZ3 3.84Å; Q203-A211 HydrophobicContact CB-CB 4.13Å; Q203-I243 HydrophobicContact CG-CG1 4.02Å
204K77.4Confident87.3Confident53 Ų5317 Ų1723%0.238%0.081CC..Hα-helixtrans-73.1-16.6176.4-164.2167.5-178.8176.40113.1L154 N155 L159 M200 V201 E660L154-K204 HydrophobicContact CD1-CB 4.26Å; L154-K204 HydrophobicContact CD1-CD 3.9Å; L154-K204 PolarHBondContact O-NZ 3.23Å; N155-K204 PolarHBondContact O-NZ 2.93Å; L159-K204 HydrophobicContact CD2-CD 4.45Å; M200-K204 PolarHBondContact O-N 3.01Å; M200-K204 VanDerWaalsContact O-N 3.09Å; V201-K204 WeakPolarHBondContact O-CA 3.29Å; V201-K204 PolarHBondContact O-N 3.46Å; K204-E660 IonicContact NZ-OE1 3.44Å; K204-E660 PolarHBondContact NZ-OE1 3.15Å; K204-E660 IonicContact NZ-OE2 3.32Å
205L70.9Confident87.4Confident19 Ų1917 Ų1710%0.0998%0.081CC..THydrogen-bonded Turntrans-86.9-0.5167.3-55175.1000113.1L159 V201 L202 Q203 L207 F957L159-L205 HydrophobicContact CD1-CD2 3.41Å; L159-L205 VanDerWaalsContact CD1-CD2 3.41Å; L159-L205 HydrophobicContact CD1-CG 4.19Å; V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.42Å; V201-L205 PolarHBondContact O-N 3.15Å; L202-L205 HydrophobicContact CD2-CD1 3.85Å; L202-L205 CarbonylContact O-C 3.59Å; L202-L205 PolarHBondContact O-N 3.29Å; L202-L205 VanDerWaalsContact O-N 3.16Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 3.06Å; L205-L207 HydrophobicContact CB-CD1 4.1Å; L205-L207 HydrophobicContact CB-CG 4.07Å; L205-L207 HydrophobicContact CD1-CD1 4.04Å; L205-L207 PolarHBondContact O-N 2.98Å; L205-F957 HydrophobicContact CB-CE1 4.35Å; L205-F957 HydrophobicContact CB-CZ 4.14Å; L205-F957 HydrophobicContact CD2-CE2 4.19Å; L205-F957 HydrophobicContact CD2-CZ 3.59Å; L205-F957 HydrophobicContact CG-CZ 4.46Å; L205-F957 WeakPolarHBondContact O-CE1 3.4Å
206G75.2Confident87.4Confident14 Ų1417.1 Ų17.114%0.1448%0.081CC..THydrogen-bonded Turntrans67.413.2-175.500000114.9L202 Q203 W208L202-G206 PolarHBondContact O-N 3.34Å; Q203-G206 PolarHBondContact O-N 3.48Å; G206-W208 PolarHBondContact O-N 3.37Å; G206-W208 PolarHBondContact O-NE1 3.02Å
207L79.1Confident87.3Confident2 Ų216.9 Ų16.91%0.018%0.08CC..  trans-83.267.1178.8-65.7174.9000109.7L202 L205 L209 Q210 A211 K945 Y948L202-L207 HydrophobicContact CB-CB 4.3Å; L202-L207 HydrophobicContact CD2-CD1 4.34Å; L202-L207 PolarHBondContact O-N 3.37Å; L205-L207 HydrophobicContact CB-CD1 4.1Å; L205-L207 HydrophobicContact CB-CG 4.07Å; L205-L207 HydrophobicContact CD1-CD1 4.04Å; L205-L207 PolarHBondContact O-N 2.98Å; L207-L209 PolarHBondContact O-N 2.96Å; L207-Q210 PolarHBondContact O-N 3.14Å; L207-A211 VanDerWaalsContact O-CB 3.27Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 2.82Å; L207-K945 HydrophobicContact CD2-CG 3.98Å; L207-Y948 HydrophobicContact CD1-CD2 3.9Å; L207-Y948 HydrophobicContact CD1-CE2 4.29Å; L207-Y948 HydrophobicContact CD1-CG 4.09Å
208W87.1Confident87.4Confident69 Ų6916.9 Ų16.926%0.2618%0.08SC..Hα-helixtrans-60.4-39.4-164-50.9112.9000114.6Q203 G206 A212 I243 M247Q203-W208 HydrophobicContact CG-CE3 4.36Å; Q203-W208 HydrophobicContact CG-CZ3 3.84Å; G206-W208 PolarHBondContact O-N 3.37Å; G206-W208 PolarHBondContact O-NE1 3.02Å; W208-A212 WeakPolarHBondContact O-CB 3.39Å; W208-A212 PolarHBondContact O-N 3.42Å; W208-I243 HydrophobicContact CB-CG2 4.33Å; W208-I243 WeakPolarHBondContact O-CG2 3.36Å; W208-M247 HydrophobicContact CB-CB 3.55Å; W208-M247 HydrophobicContact CG-CB 4.09Å
209L87.9Confident87.8Confident30 Ų3016.2 Ų16.216%0.1578%0.078CC..Hα-helixtrans-63.2-55.1177.8173.558.3000110.8L207 A211 A212 E213 D251 F255L207-L209 PolarHBondContact O-N 2.96Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.49Å; L209-A212 WeakPolarHBondContact O-CB 3.41Å; L209-A212 PolarHBondContact O-N 2.94Å; L209-A212 VanDerWaalsContact O-N 3.08Å; L209-E213 HydrophobicContact CD1-CG 4.39Å; L209-E213 WeakPolarHBondContact O-CG 3.45Å; L209-E213 PolarHBondContact O-N 3.03Å; L209-D251 HydrophobicContact CB-CB 4.3Å; L209-F255 HydrophobicContact CD1-CB 3.65Å; L209-F255 HydrophobicContact CD1-CD2 4.03Å; L209-F255 HydrophobicContact CD1-CG 4.29Å
210Q86.2Confident88Confident38 Ų3816.4 Ų16.418%0.1788%0.079CC..Hα-helixtrans-65.1-35.1-178.7-6180.9-1.600111.6L202 L207 E213 L214 Y948L202-Q210 HydrophobicContact CD1-CB 3.55Å; L207-Q210 PolarHBondContact O-N 3.14Å; Q210-E213 PolarHBondContact O-N 2.87Å; Q210-L214 WeakPolarHBondContact O-CG 3.25Å; Q210-L214 PolarHBondContact O-N 3.24Å; Q210-Y948 HydrophobicContact CG-CE1 4.49Å
211A90.5Very high88.3Confident0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-61.5-45.617100000111.6L202 Q203 L207 L209 E213 L214 I215 I243L202-A211 HydrophobicContact CB-CB 3.91Å; Q203-A211 HydrophobicContact CB-CB 4.13Å; L207-A211 VanDerWaalsContact O-CB 3.27Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 2.82Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.49Å; A211-E213 VanDerWaalsContact C-N 3.35Å; A211-E213 PolarHBondContact O-N 3.44Å; A211-L214 PolarHBondContact O-N 3.07Å; A211-I215 WeakPolarHBondContact O-CG1 3.19Å; A211-I215 PolarHBondContact O-N 3.04Å; A211-I243 HydrophobicContact CB-CD1 4.02Å
212A95Very high89.1Confident0 Ų015.3 Ų15.30%07%0.073CC..Hα-helixtrans-63.2-40.1177.200000111.9W208 L209 I215 W216 L240 I243 M247 F255W208-A212 WeakPolarHBondContact O-CB 3.39Å; W208-A212 PolarHBondContact O-N 3.42Å; L209-A212 WeakPolarHBondContact O-CB 3.41Å; L209-A212 PolarHBondContact O-N 2.94Å; L209-A212 VanDerWaalsContact O-N 3.08Å; A212-I215 PolarHBondContact O-N 3.17Å; A212-W216 WeakPolarHBondContact O-CB 3.14Å; A212-W216 PolarHBondContact O-N 2.93Å; A212-L240 HydrophobicContact CB-CD1 4.2Å; A212-I243 HydrophobicContact CB-CG2 3.86Å; A212-M247 HydrophobicContact CB-CE 4.29Å; A212-F255 HydrophobicContact CB-CD1 4.14Å; A212-F255 HydrophobicContact CB-CD2 3.78Å; A212-F255 HydrophobicContact CB-CE1 3.81Å; A212-F255 HydrophobicContact CB-CE2 3.42Å; A212-F255 VanDerWaalsContact CB-CE2 3.42Å; A212-F255 HydrophobicContact CB-CG 4.15Å; A212-F255 HydrophobicContact CB-CZ 3.45Å; A212-F255 VanDerWaalsContact CB-CZ 3.45Å; A212-F255 WeakPolarHBondContact O-CE2 3.28Å; A212-F255 WeakPolarHBondContact O-CZ 3.27Å
213E93.2Very high89.6Confident36 Ų3616.5 Ų16.517%0.1688%0.078CC..Hα-helixtrans-66-39.1176.8-67.5-171.214900112.9L209 Q210 A211 W216 A217 F255 N258 I261 F458L209-E213 HydrophobicContact CD1-CG 4.39Å; L209-E213 WeakPolarHBondContact O-CG 3.45Å; L209-E213 PolarHBondContact O-N 3.03Å; Q210-E213 PolarHBondContact O-N 2.87Å; A211-E213 VanDerWaalsContact C-N 3.35Å; A211-E213 PolarHBondContact O-N 3.44Å; E213-W216 PolarHBondContact O-N 3.12Å; E213-A217 WeakPolarHBondContact O-CB 3.47Å; E213-A217 PolarHBondContact O-N 3.02Å; E213-F255 HydrophobicContact CB-CE2 4.43Å; E213-F255 HydrophobicContact CG-CD2 3.78Å; E213-F255 HydrophobicContact CG-CE2 3.8Å; E213-N258 PolarHBondContact OE1-ND2 3.07Å; E213-I261 HydrophobicContact CG-CD1 4.32Å; E213-F458 HydrophobicContact CB-CZ 4.06Å
214L93.2Very high90Very high5 Ų515.7 Ų15.73%0.0268%0.076CC..Hα-helixtrans-69.4-40172.6-69.6-179.4000112.2V195 R198 L202 Q210 A211 W216 A217 S218 F458V195-L214 HydrophobicContact CG1-CB 4.35Å; V195-L214 HydrophobicContact CG1-CD2 4.29Å; V195-L214 WeakPolarHBondContact CG1-O 3.37Å; R198-L214 HydrophobicContact CB-CD1 3.94Å; R198-L214 HydrophobicContact CG-CD1 3.66Å; L202-L214 HydrophobicContact CD1-CD1 3.48Å; L202-L214 VanDerWaalsContact CD1-CD1 3.48Å; L202-L214 HydrophobicContact CD1-CG 4.35Å; L202-L214 HydrophobicContact CG-CD1 3.93Å; Q210-L214 WeakPolarHBondContact O-CG 3.25Å; Q210-L214 PolarHBondContact O-N 3.24Å; A211-L214 PolarHBondContact O-N 3.07Å; L214-W216 VanDerWaalsContact C-N 3.31Å; L214-W216 PolarHBondContact O-N 3.22Å; L214-A217 PolarHBondContact O-N 3.34Å; L214-S218 PolarHBondContact O-N 2.75Å; L214-F458 HydrophobicContact CD2-CD1 4.35Å; L214-F458 HydrophobicContact CD2-CD2 3.97Å; L214-F458 HydrophobicContact CD2-CE1 4.12Å; L214-F458 HydrophobicContact CD2-CE2 3.7Å; L214-F458 HydrophobicContact CD2-CG 4.3Å; L214-F458 HydrophobicContact CD2-CZ 3.79Å; L214-F458 HydrophobicContact CG-CZ 4.47Å
215I96.9Very high90.8Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-64.6-38.3174.8-66.1-58.2000110.8Q196 A211 A212 S218 L219 S236 L239 L240 I243Q196-I215 HydrophobicContact CG-CD1 4.03Å; Q196-I215 WeakPolarHBondContact O-CD1 3.46Å; A211-I215 WeakPolarHBondContact O-CG1 3.19Å; A211-I215 PolarHBondContact O-N 3.04Å; A212-I215 PolarHBondContact O-N 3.17Å; I215-S218 PolarHBondContact O-N 2.97Å; I215-S218 PolarHBondContact O-OG 2.69Å; I215-L219 PolarHBondContact O-N 3.22Å; I215-S236 WeakPolarHBondContact CG2-O 3.42Å; I215-L239 HydrophobicContact CD1-CB 4.12Å; I215-L239 HydrophobicContact CD1-CD1 3.82Å; I215-L239 HydrophobicContact CG1-CB 4.36Å; I215-L239 HydrophobicContact CG2-CB 4.35Å; I215-L240 HydrophobicContact CG2-CB 3.85Å; I215-I243 HydrophobicContact CB-CD1 4.45Å; I215-I243 HydrophobicContact CG1-CD1 3.74Å
216W95.6Very high91.8Very high4 Ų418 Ų182%0.01510%0.097CC..Hα-helixtrans-61.1-47.8170.8-175.2-100.8000112.3A212 E213 L214 S218 L219 V220 F255 D260 I261 D262 F263 L266 F446A212-W216 WeakPolarHBondContact O-CB 3.14Å; A212-W216 PolarHBondContact O-N 2.93Å; E213-W216 PolarHBondContact O-N 3.12Å; L214-W216 VanDerWaalsContact C-N 3.31Å; L214-W216 PolarHBondContact O-N 3.22Å; W216-S218 PolarHBondContact O-N 3.3Å; W216-L219 HydrophobicContact CE3-CD1 4.33Å; W216-L219 WeakPolarHBondContact O-CA 3.37Å; W216-L219 WeakPolarHBondContact O-CB 3.49Å; W216-L219 PolarHBondContact O-N 2.9Å; W216-V220 PolarHBondContact O-N 3.18Å; W216-F255 HydrophobicContact CB-CE2 4.47Å; W216-F255 HydrophobicContact CB-CZ 4.25Å; W216-D260 PolarHBondContact NE1-O 2.98Å; W216-I261 HydrophobicContact CD2-CG1 4.5Å; W216-I261 HydrophobicContact CD2-CG2 3.92Å; W216-I261 HydrophobicContact CE3-CG2 4.12Å; W216-I261 HydrophobicContact CG-CD1 4.27Å; W216-I261 HydrophobicContact CG-CG1 4.24Å; W216-I261 HydrophobicContact CG-CG2 4.43Å; W216-I261 HydrophobicContact CH2-CG2 4.31Å; W216-I261 HydrophobicContact CZ2-CG2 4.09Å; W216-I261 HydrophobicContact CZ3-CG2 4.3Å; W216-D262 WeakPolarHBondContact CH2-O 3.47Å; W216-D262 VanDerWaalsContact CZ2-N 3.3Å; W216-F263 HydrophobicContact CZ3-CD1 4.39Å; W216-L266 HydrophobicContact CE3-CD2 4.46Å; W216-L266 HydrophobicContact CH2-CB 4.18Å; W216-L266 HydrophobicContact CH2-CD2 4.01Å; W216-L266 HydrophobicContact CZ3-CB 4.49Å; W216-L266 HydrophobicContact CZ3-CD2 3.64Å; W216-F446 AromaticContact CH2-CZ 3.83Å; W216-F446 HydrophobicContact CH2-CZ 3.83Å; W216-F446 AromaticContact CZ2-CE1 3.97Å; W216-F446 HydrophobicContact CZ2-CE1 3.97Å; W216-F446 AromaticContact CZ2-CZ 3.45Å; W216-F446 HydrophobicContact CZ2-CZ 3.45Å; W216-F446 VanDerWaalsContact CZ2-CZ 3.45Å
217A95Very high92.6Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-57.1-38.1175.300000112.3V195 E213 L214 L219 V220 G221 F451 I454 F458V195-A217 HydrophobicContact CG1-CB 3.86Å; E213-A217 WeakPolarHBondContact O-CB 3.47Å; E213-A217 PolarHBondContact O-N 3.02Å; L214-A217 PolarHBondContact O-N 3.34Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 3.46Å; A217-V220 PolarHBondContact O-N 3.29Å; A217-G221 PolarHBondContact O-N 2.91Å; A217-F451 WeakPolarHBondContact O-CD2 3.12Å; A217-F451 VanDerWaalsContact O-CE2 3.24Å; A217-F451 WeakPolarHBondContact O-CE2 3.22Å; A217-I454 HydrophobicContact CB-CG2 3.55Å; A217-F458 HydrophobicContact CB-CE2 3.99Å
218S97Very high93.3Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-63.6-37.517478.90000112.6A192 L214 I215 W216 G221 Y222 S236A192-S218 WeakPolarHBondContact O-CB 3.22Å; L214-S218 PolarHBondContact O-N 2.75Å; I215-S218 PolarHBondContact O-N 2.97Å; I215-S218 PolarHBondContact O-OG 2.69Å; W216-S218 PolarHBondContact O-N 3.3Å; S218-G221 PolarHBondContact O-N 3.01Å; S218-Y222 WeakPolarHBondContact O-CD2 3.46Å; S218-Y222 PolarHBondContact O-N 2.7Å; S218-S236 WeakPolarHBondContact OG-CB 3.44Å; S218-S236 PolarHBondContact OG-OG 2.75Å
219L95.9Very high93.7Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-63.7-48.6175.4-69.5163.3000110.9I215 W216 A217 G221 Y222 Y223 I233 L237 L240 L266I215-L219 PolarHBondContact O-N 3.22Å; W216-L219 HydrophobicContact CE3-CD1 4.33Å; W216-L219 WeakPolarHBondContact O-CA 3.37Å; W216-L219 WeakPolarHBondContact O-CB 3.49Å; W216-L219 PolarHBondContact O-N 2.9Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 3.46Å; L219-G221 VanDerWaalsContact C-N 3.25Å; L219-G221 PolarHBondContact O-N 3.08Å; L219-Y222 PolarHBondContact O-N 3.1Å; L219-Y223 VanDerWaalsContact O-CD2 3.3Å; L219-Y223 WeakPolarHBondContact O-CD2 3.33Å; L219-Y223 PolarHBondContact O-N 2.86Å; L219-I233 HydrophobicContact CD2-CB 4.37Å; L219-I233 HydrophobicContact CD2-CG1 4.49Å; L219-I233 HydrophobicContact CD2-CG2 4.09Å; L219-L237 HydrophobicContact CD1-CD2 4.23Å; L219-L237 HydrophobicContact CD2-CD2 4.39Å; L219-L237 HydrophobicContact CD2-CG 3.97Å; L219-L240 HydrophobicContact CD1-CD2 4.2Å; L219-L266 HydrophobicContact CD1-CD2 4Å
220V95.3Very high93.9Very high4 Ų422 Ų222%0.02412%0.118CC..Hα-helixtrans-55.6-43.7174.7-176.50000110.6W216 A217 S224 F446 F451 I454W216-V220 PolarHBondContact O-N 3.18Å; A217-V220 PolarHBondContact O-N 3.29Å; V220-S224 VanDerWaalsContact O-CB 3.31Å; V220-S224 WeakPolarHBondContact O-CB 3.18Å; V220-S224 PolarHBondContact O-N 3.36Å; V220-S224 PolarHBondContact O-OG 3.42Å; V220-F446 HydrophobicContact CB-CD2 4.46Å; V220-F446 HydrophobicContact CB-CG 4.3Å; V220-F446 HydrophobicContact CG1-CB 4.03Å; V220-F446 HydrophobicContact CG1-CD1 4.28Å; V220-F446 HydrophobicContact CG1-CG 4.13Å; V220-F446 HydrophobicContact CG2-CD1 3.99Å; V220-F446 HydrophobicContact CG2-CD2 4.21Å; V220-F446 HydrophobicContact CG2-CE1 4Å; V220-F446 HydrophobicContact CG2-CE2 4.2Å; V220-F446 HydrophobicContact CG2-CG 4.11Å; V220-F446 HydrophobicContact CG2-CZ 4.1Å; V220-F451 HydrophobicContact CG1-CB 4.12Å; V220-I454 HydrophobicContact CB-CD1 4.35Å; V220-I454 HydrophobicContact CG1-CD1 4.23Å; V220-I454 HydrophobicContact CG2-CD1 4.04Å
221G95.4Very high94.3Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-57.4-53.2173.700000113.3A217 S218 L219 Y223 S224A217-G221 PolarHBondContact O-N 2.91Å; S218-G221 PolarHBondContact O-N 3.01Å; L219-G221 VanDerWaalsContact C-N 3.25Å; L219-G221 PolarHBondContact O-N 3.08Å; G221-Y223 PolarHBondContact O-N 3.48Å; G221-S224 PolarHBondContact O-N 3.22Å; G221-S224 PolarHBondContact O-OG 3.39Å
222Y96.4Very high94.5Very high3 Ų322 Ų221%0.01212%0.118CC..Hα-helixtrans-65.8-35.7-178.1-67.8-57.1000114.2L189 A192 V193 Q196 S218 L219 L225 P228 D229 G232 I233L189-Y222 HydrophobicContact CD1-CD1 3.95Å; L189-Y222 HydrophobicContact CD1-CE1 3.8Å; A192-Y222 HydrophobicContact CB-CD1 3.89Å; A192-Y222 HydrophobicContact CB-CE1 3.89Å; A192-Y222 HydrophobicContact CB-CG 4.27Å; V193-Y222 WeakPolarHBondContact CA-OH 3.47Å; V193-Y222 HydrophobicContact CG2-CE1 3.85Å; V193-Y222 VanDerWaalsContact CG2-OH 3.31Å; V193-Y222 WeakPolarHBondContact CG2-OH 3.48Å; Q196-Y222 PolarHBondContact NE2-OH 2.95Å; S218-Y222 WeakPolarHBondContact O-CD2 3.46Å; S218-Y222 PolarHBondContact O-N 2.7Å; L219-Y222 PolarHBondContact O-N 3.1Å; Y222-L225 WeakPolarHBondContact O-CG 3.35Å; Y222-P228 WeakPolarHBondContact O-CA 3.07Å; Y222-D229 HydrophobicContact CD1-CB 3.64Å; Y222-D229 HydrophobicContact CE1-CB 4.3Å; Y222-D229 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D229 HydrophobicContact CG-CB 4.26Å; Y222-D229 PolarHBondContact O-N 2.85Å; Y222-G232 VanDerWaalsContact CE2-C 3.48Å; Y222-I233 HydrophobicContact CG-CG1 4.41Å
223Y94.1Very high94.6Very high28 Ų2822 Ų2211%0.1112%0.118CC..Hα-helixtrans-75.2-24.3175.1-81.7-76.2000112.8L219 G221 L225 P228 I233 L266 Y288 F446L219-Y223 VanDerWaalsContact O-CD2 3.3Å; L219-Y223 WeakPolarHBondContact O-CD2 3.33Å; L219-Y223 PolarHBondContact O-N 2.86Å; G221-Y223 PolarHBondContact O-N 3.48Å; Y223-L225 PolarHBondContact O-N 3.04Å; Y223-P228 HydrophobicContact CD1-CB 4.27Å; Y223-P228 HydrophobicContact CD1-CG 4.48Å; Y223-I233 HydrophobicContact CD1-CD1 3.8Å; Y223-I233 HydrophobicContact CD2-CD1 3.9Å; Y223-I233 HydrophobicContact CD2-CG1 4.03Å; Y223-I233 HydrophobicContact CE1-CD1 3.71Å; Y223-I233 HydrophobicContact CE2-CB 4.49Å; Y223-I233 HydrophobicContact CE2-CD1 3.8Å; Y223-I233 HydrophobicContact CE2-CG1 3.85Å; Y223-I233 HydrophobicContact CE2-CG2 3.79Å; Y223-I233 HydrophobicContact CG-CD1 3.9Å; Y223-I233 HydrophobicContact CG-CG1 4.48Å; Y223-I233 WeakPolarHBondContact OH-CG2 3.46Å; Y223-L266 HydrophobicContact CE2-CD1 3.55Å; Y223-L266 VanDerWaalsContact OH-CD1 3.3Å; Y223-L266 WeakPolarHBondContact OH-CD1 3.39Å; Y223-Y288 WeakPolarHBondContact OH-CE2 3.44Å; Y223-Y288 PolarHBondContact OH-OH 2.88Å; Y223-F446 AromaticContact CD2-CD2 3.71Å; Y223-F446 HydrophobicContact CD2-CD2 3.71Å; Y223-F446 HydrophobicContact CD2-CE2 4.04Å; Y223-F446 AromaticContact CG-CD2 3.98Å; Y223-F446 HydrophobicContact CG-CD2 3.98Å
224S93.7Very high94.6Very high24 Ų2420.5 Ų20.517%0.16811%0.112CC..THydrogen-bonded Turntrans-72-7.2177.176.20000114.7V220 G221V220-S224 VanDerWaalsContact O-CB 3.31Å; V220-S224 WeakPolarHBondContact O-CB 3.18Å; V220-S224 PolarHBondContact O-N 3.36Å; V220-S224 PolarHBondContact O-OG 3.42Å; G221-S224 PolarHBondContact O-N 3.22Å; G221-S224 PolarHBondContact O-OG 3.39Å
225L93.8Very high94.8Very high14 Ų1421.9 Ų21.97%0.07312%0.121CC..SBendtrans-74.2146.7179.1-58.5176.1000111.3S185 V188 L189 Y222 Y223 Q227 D229S185-L225 WeakPolarHBondContact O-CD2 3.48Å; V188-L225 HydrophobicContact CB-CD2 3.97Å; V188-L225 HydrophobicContact CG1-CD2 3.81Å; L189-L225 HydrophobicContact CB-CD1 4.17Å; L189-L225 HydrophobicContact CB-CD2 4.21Å; L189-L225 HydrophobicContact CD1-CD1 3.84Å; L189-L225 HydrophobicContact CG-CD1 4.5Å; Y222-L225 WeakPolarHBondContact O-CG 3.35Å; Y223-L225 PolarHBondContact O-N 3.04Å; L225-Q227 WeakPolarHBondContact CB-O 3.37Å; L225-Q227 PolarHBondContact O-N 3.13Å; L225-D229 HydrophobicContact CD1-CB 4.05Å
226P92.1Very high94.8Very high106 Ų10621.9 Ų21.969%0.68812%0.121SC*.SBendtrans-56.3-26.6178.1-26.434.8000114.4S185S185-P226 VanDerWaalsContact CB-CD 3.42Å
227Q91.4Very high94.9Very high111 Ų11121.7 Ų21.752%0.51912%0.12SC..SBendtrans-128.8113.5162.5-64.117734.900106.5Y66 L225 D229Y66-Q227 HydrophobicContact CD1-CB 4.31Å; Y66-Q227 WeakPolarHBondContact CD1-O 3.35Å; Y66-Q227 PolarHBondContact O-OE1 3.17Å; L225-Q227 WeakPolarHBondContact CB-O 3.37Å; L225-Q227 PolarHBondContact O-N 3.13Å; Q227-D229 PolarHBondContact O-N 2.74Å
228P93Very high94.9Very high46 Ų4621.9 Ų21.930%0.29912%0.122SC..  trans-58.8136.5-177-30.437.4000113.5Y222 Y223 K230 I233Y222-P228 WeakPolarHBondContact O-CA 3.07Å; Y223-P228 HydrophobicContact CD1-CB 4.27Å; Y223-P228 HydrophobicContact CD1-CG 4.48Å; P228-K230 PolarHBondContact O-N 2.79Å; P228-I233 HydrophobicContact CB-CD1 3.82Å
229D95.4Very high94.9Very high7 Ų722.2 Ų22.24%0.03712%0.124CC..  trans-74.891.9177.6-178.91.5000110.6Q65 Y66 L189 Y222 L225 Q227 K231 G232 I233Q65-D229 VanDerWaalsContact CG-OD1 3.27Å; Q65-D229 WeakPolarHBondContact CG-OD1 3.32Å; Q65-D229 VanDerWaalsContact NE2-CG 3.3Å; Q65-D229 PolarHBondContact NE2-OD1 2.94Å; Q65-D229 PolarHBondContact NE2-OD2 2.75Å; Y66-D229 HydrophobicContact CE1-CB 3.76Å; L189-D229 HydrophobicContact CD1-CB 4.23Å; Y222-D229 HydrophobicContact CD1-CB 3.64Å; Y222-D229 HydrophobicContact CE1-CB 4.3Å; Y222-D229 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D229 HydrophobicContact CG-CB 4.26Å; Y222-D229 PolarHBondContact O-N 2.85Å; L225-D229 HydrophobicContact CD1-CB 4.05Å; Q227-D229 PolarHBondContact O-N 2.74Å; D229-K231 PolarHBondContact O-N 3.24Å; D229-K231 VanDerWaalsContact O-N 3.16Å; D229-K231 WeakPolarHBondContact OD1-CA 3.45Å; D229-K231 WeakPolarHBondContact OD1-CB 3.23Å; D229-K231 PolarHBondContact OD1-N 2.78Å; D229-G232 PolarHBondContact O-N 2.91Å; D229-G232 PolarHBondContact OD1-N 3.33Å; D229-G232 WeakPolarHBondContact OD2-CA 3.27Å; D229-G232 PolarHBondContact OD2-N 3.47Å; D229-I233 WeakPolarHBondContact O-CB 3.47Å; D229-I233 WeakPolarHBondContact O-CD1 3.37Å; D229-I233 WeakPolarHBondContact O-CG1 3.44Å; D229-I233 PolarHBondContact O-N 3.19Å
230K93.4Very high94.9Very high36 Ų3622.2 Ų22.216%0.15712%0.124CC..Hα-helixtrans-56.9-32.8179-63.2178.7173.9-178.50112.3W64 Q65 K67 P228 G234 Y288W64-K230 HydrophobicContact CZ3-CB 4.12Å; Q65-K230 VanDerWaalsContact O-CB 3.3Å; Q65-K230 WeakPolarHBondContact O-CB 3.31Å; Q65-K230 WeakPolarHBondContact O-CG 3.25Å; Q65-K230 PolarHBondContact O-N 2.96Å; K67-K230 PolarHBondContact O-NZ 3.49Å; P228-K230 PolarHBondContact O-N 2.79Å; K230-G234 PolarHBondContact O-N 2.81Å; K230-Y288 HydrophobicContact CB-CD1 4Å; K230-Y288 HydrophobicContact CG-CD1 4.02Å; K230-Y288 HydrophobicContact CG-CE1 4.42Å; K230-Y288 WeakPolarHBondContact O-CB 3.39Å
231K93.4Very high95Very high34 Ų3422 Ų2215%0.14812%0.123CC..Hα-helixtrans-76.2-42.4-179.7-177.9177.6175-177.30111.5E62 W64 Q65 R114 D229 T235E62-K231 HydrophobicContact CG-CD 3.8Å; E62-K231 IonicContact OE1-NZ 2.75Å; E62-K231 PolarHBondContact OE1-NZ 2.93Å; W64-K231 HydrophobicContact CH2-CB 3.87Å; W64-K231 HydrophobicContact CH2-CG 4.23Å; W64-K231 HydrophobicContact CZ3-CB 4.19Å; Q65-K231 HydrophobicContact CG-CB 3.84Å; R114-K231 VanDerWaalsContact NH1-NZ 3.12Å; D229-K231 PolarHBondContact O-N 3.24Å; D229-K231 VanDerWaalsContact O-N 3.16Å; D229-K231 WeakPolarHBondContact OD1-CA 3.45Å; D229-K231 WeakPolarHBondContact OD1-CB 3.23Å; D229-K231 PolarHBondContact OD1-N 2.78Å; K231-T235 WeakPolarHBondContact O-CB 3.39Å; K231-T235 PolarHBondContact O-N 3.18Å; K231-T235 PolarHBondContact O-OG1 3.36Å
232G95.7Very high94.9Very high3 Ų325.3 Ų25.33%0.03114%0.141CC..Hα-helixtrans-58.9-50.517100000111.9Y222 D229 T235 S236Y222-G232 VanDerWaalsContact CE2-C 3.48Å; D229-G232 PolarHBondContact O-N 2.91Å; D229-G232 PolarHBondContact OD1-N 3.33Å; D229-G232 WeakPolarHBondContact OD2-CA 3.27Å; D229-G232 PolarHBondContact OD2-N 3.47Å; G232-T235 PolarHBondContact O-N 3.37Å; G232-S236 WeakPolarHBondContact O-CB 3.41Å; G232-S236 PolarHBondContact O-N 2.96Å; G232-S236 PolarHBondContact O-OG 3.34Å
233I95.9Very high94.8Very high1 Ų125.1 Ų25.11%0.00514%0.14CC..Hα-helixtrans-57.4-54.4176.2-68.7161.8000111.2L219 Y222 Y223 P228 D229 T235 S236 L237 Y288L219-I233 HydrophobicContact CD2-CB 4.37Å; L219-I233 HydrophobicContact CD2-CG1 4.49Å; L219-I233 HydrophobicContact CD2-CG2 4.09Å; Y222-I233 HydrophobicContact CG-CG1 4.41Å; Y223-I233 HydrophobicContact CD1-CD1 3.8Å; Y223-I233 HydrophobicContact CD2-CD1 3.9Å; Y223-I233 HydrophobicContact CD2-CG1 4.03Å; Y223-I233 HydrophobicContact CE1-CD1 3.71Å; Y223-I233 HydrophobicContact CE2-CB 4.49Å; Y223-I233 HydrophobicContact CE2-CD1 3.8Å; Y223-I233 HydrophobicContact CE2-CG1 3.85Å; Y223-I233 HydrophobicContact CE2-CG2 3.79Å; Y223-I233 HydrophobicContact CG-CD1 3.9Å; Y223-I233 HydrophobicContact CG-CG1 4.48Å; Y223-I233 WeakPolarHBondContact OH-CG2 3.46Å; P228-I233 HydrophobicContact CB-CD1 3.82Å; D229-I233 WeakPolarHBondContact O-CB 3.47Å; D229-I233 WeakPolarHBondContact O-CD1 3.37Å; D229-I233 WeakPolarHBondContact O-CG1 3.44Å; D229-I233 PolarHBondContact O-N 3.19Å; I233-T235 VanDerWaalsContact C-N 3.28Å; I233-T235 PolarHBondContact O-N 2.91Å; I233-S236 PolarHBondContact O-N 3.12Å; I233-L237 HydrophobicContact CG2-CD1 3.68Å; I233-L237 HydrophobicContact CG2-CG 4.35Å; I233-L237 WeakPolarHBondContact O-CB 3.49Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 2.77Å; I233-Y288 HydrophobicContact CG2-CD2 3.54Å; I233-Y288 HydrophobicContact CG2-CE2 3.49Å; I233-Y288 VanDerWaalsContact CG2-CE2 3.49Å; I233-Y288 HydrophobicContact CG2-CG 4.11Å
234G95Very high94.8Very high4 Ų423.8 Ų23.84%0.04114%0.135CC..Hα-helixtrans-60.4-36.4179.500000113.2K230 G238 A285K230-G234 PolarHBondContact O-N 2.81Å; G234-G238 PolarHBondContact O-N 3.44Å; G234-G238 VanDerWaalsContact O-N 3.13Å; G234-A285 VanDerWaalsContact O-CB 3.27Å; G234-A285 WeakPolarHBondContact O-CB 3.45Å
235T96.1Very high94.7Very high34 Ų3424.7 Ų24.721%0.20914%0.139CC..Hα-helixtrans-66.8-48.9174.5-56.20000111.3K231 G232 I233 L237 G238 L239K231-T235 WeakPolarHBondContact O-CB 3.39Å; K231-T235 PolarHBondContact O-N 3.18Å; K231-T235 PolarHBondContact O-OG1 3.36Å; G232-T235 PolarHBondContact O-N 3.37Å; I233-T235 VanDerWaalsContact C-N 3.28Å; I233-T235 PolarHBondContact O-N 2.91Å; T235-L237 PolarHBondContact O-N 3.15Å; T235-G238 PolarHBondContact O-N 2.93Å; T235-L239 HydrophobicContact CG2-CD1 4.21Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 2.76Å
236S97.7Very high94.4Very high0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-65.8-35.9179.7-72.70000112.7Q196 I215 S218 G232 I233 L239 L240Q196-S236 PolarHBondContact NE2-OG 3.33Å; I215-S236 WeakPolarHBondContact CG2-O 3.42Å; S218-S236 WeakPolarHBondContact OG-CB 3.44Å; S218-S236 PolarHBondContact OG-OG 2.75Å; G232-S236 WeakPolarHBondContact O-CB 3.41Å; G232-S236 PolarHBondContact O-N 2.96Å; G232-S236 PolarHBondContact O-OG 3.34Å; I233-S236 PolarHBondContact O-N 3.12Å; S236-L239 PolarHBondContact O-N 3.13Å; S236-L240 VanDerWaalsContact O-CB 3.31Å; S236-L240 WeakPolarHBondContact O-CB 3.5Å; S236-L240 PolarHBondContact O-N 2.91Å
237L96.9Very high94.2Very high0 Ų021.6 Ų21.60%012%0.121CC..Hα-helixtrans-64.3-40.8172.4-75.4168.2000112.4L219 I233 T235 L240 A241 L266 L267 A281 M284 A285 Y288L219-L237 HydrophobicContact CD1-CD2 4.23Å; L219-L237 HydrophobicContact CD2-CD2 4.39Å; L219-L237 HydrophobicContact CD2-CG 3.97Å; I233-L237 HydrophobicContact CG2-CD1 3.68Å; I233-L237 HydrophobicContact CG2-CG 4.35Å; I233-L237 WeakPolarHBondContact O-CB 3.49Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 2.77Å; T235-L237 PolarHBondContact O-N 3.15Å; L237-L240 PolarHBondContact O-N 3.19Å; L237-A241 WeakPolarHBondContact O-CB 3.25Å; L237-A241 PolarHBondContact O-N 2.98Å; L237-L266 HydrophobicContact CD2-CD2 4.14Å; L237-L267 HydrophobicContact CD2-CD2 3.96Å; L237-A281 HydrophobicContact CD2-CB 4.32Å; L237-M284 HydrophobicContact CD1-CB 3.74Å; L237-A285 HydrophobicContact CB-CB 3.86Å; L237-Y288 HydrophobicContact CD1-CD2 3.69Å; L237-Y288 HydrophobicContact CD1-CE2 3.88Å
238G96.1Very high93.9Very high5 Ų517.9 Ų17.95%0.05211%0.107CC..Hα-helixtrans-65.1-40.1173.500000112.8G234 T235 A241 N242G234-G238 PolarHBondContact O-N 3.44Å; G234-G238 VanDerWaalsContact O-N 3.13Å; T235-G238 PolarHBondContact O-N 2.93Å; G238-A241 PolarHBondContact O-N 3.4Å; G238-N242 PolarHBondContact O-N 3.48Å; G238-N242 PolarHBondContact O-ND2 2.89Å
239L96.3Very high93.6Very high6 Ų619.6 Ų19.63%0.03111%0.114CC..Hα-helixtrans-64-45.3172.9-69.8170.4000111.5Q196 M200 I215 T235 S236 A241 N242 I243 F662Q196-L239 HydrophobicContact CG-CD1 3.78Å; M200-L239 HydrophobicContact CE-CD2 4.38Å; M200-L239 HydrophobicContact CG-CD1 3.83Å; M200-L239 HydrophobicContact CG-CD2 4.17Å; M200-L239 HydrophobicContact SD-CD1 3.97Å; M200-L239 HydrophobicContact SD-CD2 4.43Å; I215-L239 HydrophobicContact CD1-CB 4.12Å; I215-L239 HydrophobicContact CD1-CD1 3.82Å; I215-L239 HydrophobicContact CG1-CB 4.36Å; I215-L239 HydrophobicContact CG2-CB 4.35Å; T235-L239 HydrophobicContact CG2-CD1 4.21Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 2.76Å; S236-L239 PolarHBondContact O-N 3.13Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 2.88Å; L239-N242 PolarHBondContact O-N 2.97Å; L239-N242 VanDerWaalsContact O-N 3.15Å; L239-I243 WeakPolarHBondContact O-CG1 3.18Å; L239-I243 PolarHBondContact O-N 3.41Å; L239-F662 HydrophobicContact CD2-CZ 4.42Å
240L97Very high93.1Very high0 Ų026.4 Ų26.40%015%0.145CC..Hα-helixtrans-60.5-41.7177.5-173.960.7000111.7A212 I215 L219 S236 L237 N242 I243 L244 F255A212-L240 HydrophobicContact CB-CD1 4.2Å; I215-L240 HydrophobicContact CG2-CB 3.85Å; L219-L240 HydrophobicContact CD1-CD2 4.2Å; S236-L240 VanDerWaalsContact O-CB 3.31Å; S236-L240 WeakPolarHBondContact O-CB 3.5Å; S236-L240 PolarHBondContact O-N 2.91Å; L237-L240 PolarHBondContact O-N 3.19Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 3.2Å; L240-I243 PolarHBondContact O-N 2.81Å; L240-L244 HydrophobicContact CD1-CG 4.43Å; L240-L244 HydrophobicContact CG-CD1 4Å; L240-L244 HydrophobicContact CG-CG 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.17Å; L240-L244 PolarHBondContact O-N 3.5Å; L240-F255 HydrophobicContact CD1-CE1 3.96Å; L240-F255 HydrophobicContact CD1-CZ 3.99Å
241A95.9Very high92.9Very high1 Ų125.7 Ų25.71%0.00814%0.143CC..Hα-helixtrans-58.3-42.7174.700000112.3L237 G238 L239 V245 A278 A281 A282L237-A241 WeakPolarHBondContact O-CB 3.25Å; L237-A241 PolarHBondContact O-N 2.98Å; G238-A241 PolarHBondContact O-N 3.4Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 2.88Å; A241-V245 WeakPolarHBondContact O-CG2 3.43Å; A241-V245 PolarHBondContact O-N 3.44Å; A241-A278 HydrophobicContact CB-CB 4.48Å; A241-A278 WeakPolarHBondContact CB-O 3.5Å; A241-A281 HydrophobicContact CB-CB 4.12Å; A241-A282 HydrophobicContact CB-CB 3.99Å
242N93.5Very high92.9Very high68 Ų6824.8 Ų24.836%0.36414%0.139SC..Hα-helixtrans-65.9-43.1176-65.3-49.5000111.8G238 L239 L240 L244 V245 S246G238-N242 PolarHBondContact O-N 3.48Å; G238-N242 PolarHBondContact O-ND2 2.89Å; L239-N242 PolarHBondContact O-N 2.97Å; L239-N242 VanDerWaalsContact O-N 3.15Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 3.2Å; N242-L244 PolarHBondContact O-N 2.63Å; N242-V245 PolarHBondContact O-N 2.82Å; N242-S246 PolarHBondContact O-N 2.78Å; N242-S246 VanDerWaalsContact O-N 3.16Å
243I94.1Very high92.7Very high0 Ų030.4 Ų30.40%017%0.165CC..Hα-helixtrans-63.7-42.5178.5-63.7163000111.1Q203 W208 A211 A212 I215 L239 L240 V245 S246 M247Q203-I243 HydrophobicContact CG-CG1 4.02Å; W208-I243 HydrophobicContact CB-CG2 4.33Å; W208-I243 WeakPolarHBondContact O-CG2 3.36Å; A211-I243 HydrophobicContact CB-CD1 4.02Å; A212-I243 HydrophobicContact CB-CG2 3.86Å; I215-I243 HydrophobicContact CB-CD1 4.45Å; I215-I243 HydrophobicContact CG1-CD1 3.74Å; L239-I243 WeakPolarHBondContact O-CG1 3.18Å; L239-I243 PolarHBondContact O-N 3.41Å; L240-I243 PolarHBondContact O-N 2.81Å; I243-V245 PolarHBondContact O-N 3.3Å; I243-S246 PolarHBondContact O-N 2.73Å; I243-S246 VanDerWaalsContact O-N 3.12Å; I243-M247 WeakPolarHBondContact O-CB 3.45Å; I243-M247 PolarHBondContact O-N 3.07Å
244L94.4Very high92.5Very high0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-61-26.1175.7-72.5166.2000113.4L240 N242 M247 F252 F263 R274 L277 A278L240-L244 HydrophobicContact CD1-CG 4.43Å; L240-L244 HydrophobicContact CG-CD1 4Å; L240-L244 HydrophobicContact CG-CG 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.17Å; L240-L244 PolarHBondContact O-N 3.5Å; N242-L244 PolarHBondContact O-N 2.63Å; L244-M247 HydrophobicContact CD2-SD 3.8Å; L244-F252 HydrophobicContact CD2-CD2 3.73Å; L244-F252 HydrophobicContact CD2-CE2 3.91Å; L244-F263 HydrophobicContact CD2-CZ 4.35Å; L244-R274 WeakPolarHBondContact O-CD 3.28Å; L244-R274 PolarHBondContact O-NH1 3.16Å; L244-L277 HydrophobicContact CD1-CB 4.18Å; L244-A278 HydrophobicContact CB-CB 3.78Å; L244-A278 HydrophobicContact CD1-CB 4.3Å
245V91.6Very high92.4Very high43 Ų4332.5 Ų32.526%0.26118%0.179SC..Hα-helixtrans-79.1-37.2174.3172.20000111.8A241 N242 I243 R274 L275 A278 C306A241-V245 WeakPolarHBondContact O-CG2 3.43Å; A241-V245 PolarHBondContact O-N 3.44Å; N242-V245 PolarHBondContact O-N 2.82Å; I243-V245 PolarHBondContact O-N 3.3Å; V245-R274 PolarHBondContact O-NH1 3.23Å; V245-L275 HydrophobicContact CG2-CD2 3.93Å; V245-A278 HydrophobicContact CG2-CB 3.95Å; V245-C306 WeakPolarHBondContact CG2-SG 3.46Å
246S86.8Confident92.1Very high53 Ų5334.8 Ų34.837%0.37119%0.186SC..Hα-helixtrans-84.2-32-179.1-64.50000114.7N242 I243N242-S246 PolarHBondContact O-N 2.78Å; N242-S246 VanDerWaalsContact O-N 3.16Å; I243-S246 PolarHBondContact O-N 2.73Å; I243-S246 VanDerWaalsContact O-N 3.12Å
247M88.3Confident91.7Very high1 Ų139 Ų391%0.00521%0.212CC..SBendtrans-67.4154.4-17581.8-166.2-46.500113.1W208 A212 I243 L244 D251 F252 F255 R274W208-M247 HydrophobicContact CB-CB 3.55Å; W208-M247 HydrophobicContact CG-CB 4.09Å; A212-M247 HydrophobicContact CB-CE 4.29Å; I243-M247 WeakPolarHBondContact O-CB 3.45Å; I243-M247 PolarHBondContact O-N 3.07Å; L244-M247 HydrophobicContact CD2-SD 3.8Å; M247-D251 HydrophobicContact CB-CB 4.15Å; M247-D251 HydrophobicContact CE-CB 3.79Å; M247-D251 HydrophobicContact CG-CB 4.48Å; M247-F252 HydrophobicContact CE-CB 4.44Å; M247-F252 HydrophobicContact CG-CB 3.99Å; M247-F252 HydrophobicContact SD-CB 3.86Å; M247-F252 HydrophobicContact SD-CD2 4.21Å; M247-F255 HydrophobicContact CE-CB 4.1Å; M247-F255 HydrophobicContact CE-CD1 4.45Å; M247-F255 HydrophobicContact CE-CG 4.36Å; M247-R274 PolarHBondContact O-NH1 3.29Å
248S85.1Confident91.3Very high34 Ų3439.8 Ų39.824%0.23822%0.216CC..  trans-71.9164174.4750000111.9E250 D251 F252S248-E250 PolarHBondContact O-N 3.18Å; S248-E250 PolarHBondContact OG-N 3.42Å; S248-D251 VanDerWaalsContact CB-OD2 3.27Å; S248-D251 WeakPolarHBondContact CB-OD2 3.35Å; S248-D251 PolarHBondContact N-OD2 2.86Å; S248-D251 VanDerWaalsContact N-OD2 3.1Å; S248-D251 PolarHBondContact O-N 2.93Å; S248-D251 PolarHBondContact OG-N 2.86Å; S248-D251 PolarHBondContact OG-OD2 3.38Å; S248-F252 VanDerWaalsContact O-CB 3.27Å; S248-F252 WeakPolarHBondContact O-CB 3.36Å; S248-F252 PolarHBondContact O-N 3.41Å
249D86.2Confident90.8Very high82 Ų8245.4 Ų45.444%0.43925%0.251SS..Hα-helixtrans-68.3-20.1175.1-60.4-56.5000112.5H253 R274D249-H253 WeakPolarHBondContact O-CB 3.42Å; D249-H253 PolarHBondContact O-N 2.96Å; D249-R274 VanDerWaalsContact OD1-CD 3.28Å; D249-R274 WeakPolarHBondContact OD1-CD 3.41Å; D249-R274 IonicContact OD1-CZ 3.7Å; D249-R274 IonicContact OD1-NE 3.27Å; D249-R274 PolarHBondContact OD1-NE 2.94Å; D249-R274 IonicContact OD1-NH2 3.38Å
250E86.6Confident90.2Very high149 Ų14948.6 Ų48.670%0.69627%0.269SS*.Hα-helixtrans-79.6-46.1174.3-179.5173-161.100112.1S248 F252 H253 S254S248-E250 PolarHBondContact O-N 3.18Å; S248-E250 PolarHBondContact OG-N 3.42Å; E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 2.93Å; E250-H253 PolarHBondContact O-N 2.87Å; E250-S254 WeakPolarHBondContact O-CB 3.47Å; E250-S254 PolarHBondContact O-N 3.24Å; E250-S254 PolarHBondContact O-OG 2.98Å
251D89.1Confident89.8Confident21 Ų2149.3 Ų49.311%0.11227%0.272CS..Hα-helixtrans-57.5-44.7170-60.1-60.2000109.6L209 M247 S248 S254 F255L209-D251 HydrophobicContact CB-CB 4.3Å; M247-D251 HydrophobicContact CB-CB 4.15Å; M247-D251 HydrophobicContact CE-CB 3.79Å; M247-D251 HydrophobicContact CG-CB 4.48Å; S248-D251 VanDerWaalsContact CB-OD2 3.27Å; S248-D251 WeakPolarHBondContact CB-OD2 3.35Å; S248-D251 PolarHBondContact N-OD2 2.86Å; S248-D251 VanDerWaalsContact N-OD2 3.1Å; S248-D251 PolarHBondContact O-N 2.93Å; S248-D251 PolarHBondContact OG-N 2.86Å; S248-D251 PolarHBondContact OG-OD2 3.38Å; D251-S254 PolarHBondContact O-N 3.34Å; D251-F255 VanDerWaalsContact O-CB 3.28Å; D251-F255 WeakPolarHBondContact O-CB 3.49Å; D251-F255 PolarHBondContact O-N 3.27Å
252F92.4Very high89.3Confident15 Ų1552.7 Ų52.77%0.06629%0.29CS..Hα-helixtrans-65.6-39.5178.9170.9-108.9000112.7L244 M247 S248 E250 K256 S272 R274 L277L244-F252 HydrophobicContact CD2-CD2 3.73Å; L244-F252 HydrophobicContact CD2-CE2 3.91Å; M247-F252 HydrophobicContact CE-CB 4.44Å; M247-F252 HydrophobicContact CG-CB 3.99Å; M247-F252 HydrophobicContact SD-CB 3.86Å; M247-F252 HydrophobicContact SD-CD2 4.21Å; S248-F252 VanDerWaalsContact O-CB 3.27Å; S248-F252 WeakPolarHBondContact O-CB 3.36Å; S248-F252 PolarHBondContact O-N 3.41Å; E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 2.93Å; F252-K256 HydrophobicContact CE1-CD 4.08Å; F252-K256 HydrophobicContact CE2-CB 4.49Å; F252-K256 HydrophobicContact CE2-CD 4.44Å; F252-K256 HydrophobicContact CZ-CD 3.76Å; F252-K256 WeakPolarHBondContact O-CB 3.27Å; F252-K256 PolarHBondContact O-N 3.28Å; F252-S272 WeakPolarHBondContact CE1-O 3.41Å; F252-R274 HydrophobicContact CB-CB 4.33Å; F252-R274 HydrophobicContact CD1-CB 3.82Å; F252-R274 HydrophobicContact CD2-CB 3.6Å; F252-R274 HydrophobicContact CE1-CB 3.98Å; F252-R274 HydrophobicContact CE2-CB 3.78Å; F252-R274 HydrophobicContact CG-CB 3.62Å; F252-R274 HydrophobicContact CZ-CB 3.96Å; F252-L277 HydrophobicContact CE2-CD1 3.76Å; F252-L277 HydrophobicContact CZ-CD1 3.61Å
253H90.9Very high89Confident121 Ų12149.8 Ų49.856%0.5628%0.275SS*.Hα-helixtrans-60.7-51.1173.9-174.173.8000110.2D249 E250 F255 K256 T257D249-H253 WeakPolarHBondContact O-CB 3.42Å; D249-H253 PolarHBondContact O-N 2.96Å; E250-H253 PolarHBondContact O-N 2.87Å; H253-F255 PolarHBondContact O-N 3.02Å; H253-K256 PolarHBondContact O-N 3.47Å; H253-T257 WeakPolarHBondContact O-CG2 3.46Å; H253-T257 PolarHBondContact O-N 3.3Å; H253-T257 PolarHBondContact O-OG1 3.13Å; H253-T257 VanDerWaalsContact O-OG1 3.07Å
254S91.8Very high88.6Confident50 Ų5053.1 Ų53.135%0.3530%0.296SS..Hα-helixtrans-54.5-52.1178.2-55.20000111.5E250 D251 K256 T257 N258E250-S254 WeakPolarHBondContact O-CB 3.47Å; E250-S254 PolarHBondContact O-N 3.24Å; E250-S254 PolarHBondContact O-OG 2.98Å; D251-S254 PolarHBondContact O-N 3.34Å; S254-K256 PolarHBondContact O-N 3.37Å; S254-T257 WeakPolarHBondContact CA-OG1 3.31Å; S254-T257 PolarHBondContact O-N 2.61Å; S254-T257 VanDerWaalsContact O-N 3.13Å; S254-T257 PolarHBondContact O-OG1 2.93Å; S254-N258 PolarHBondContact O-N 3.05Å
255F92.7Very high88Confident0 Ų054.9 Ų54.90%031%0.308CS..Hα-helixtrans-55.8-47.3176.9-172.2-123.7000112.3L209 A212 E213 W216 L240 M247 D251 H253 T257 N258 I261 F263L209-F255 HydrophobicContact CD1-CB 3.65Å; L209-F255 HydrophobicContact CD1-CD2 4.03Å; L209-F255 HydrophobicContact CD1-CG 4.29Å; A212-F255 HydrophobicContact CB-CD1 4.14Å; A212-F255 HydrophobicContact CB-CD2 3.78Å; A212-F255 HydrophobicContact CB-CE1 3.81Å; A212-F255 HydrophobicContact CB-CE2 3.42Å; A212-F255 VanDerWaalsContact CB-CE2 3.42Å; A212-F255 HydrophobicContact CB-CG 4.15Å; A212-F255 HydrophobicContact CB-CZ 3.45Å; A212-F255 VanDerWaalsContact CB-CZ 3.45Å; A212-F255 WeakPolarHBondContact O-CE2 3.28Å; A212-F255 WeakPolarHBondContact O-CZ 3.27Å; E213-F255 HydrophobicContact CB-CE2 4.43Å; E213-F255 HydrophobicContact CG-CD2 3.78Å; E213-F255 HydrophobicContact CG-CE2 3.8Å; W216-F255 HydrophobicContact CB-CE2 4.47Å; W216-F255 HydrophobicContact CB-CZ 4.25Å; L240-F255 HydrophobicContact CD1-CE1 3.96Å; L240-F255 HydrophobicContact CD1-CZ 3.99Å; M247-F255 HydrophobicContact CE-CB 4.1Å; M247-F255 HydrophobicContact CE-CD1 4.45Å; M247-F255 HydrophobicContact CE-CG 4.36Å; D251-F255 VanDerWaalsContact O-CB 3.28Å; D251-F255 WeakPolarHBondContact O-CB 3.49Å; D251-F255 PolarHBondContact O-N 3.27Å; H253-F255 PolarHBondContact O-N 3.02Å; F255-T257 VanDerWaalsContact C-N 3.29Å; F255-T257 PolarHBondContact O-N 3.18Å; F255-N258 PolarHBondContact O-N 3.26Å; F255-I261 HydrophobicContact CD2-CD1 3.46Å; F255-I261 VanDerWaalsContact CD2-CD1 3.46Å; F255-I261 HydrophobicContact CE2-CD1 3.18Å; F255-I261 HydrophobicContact CG-CD1 4.31Å; F255-I261 HydrophobicContact CZ-CD1 3.86Å; F255-I261 HydrophobicContact CZ-CG2 4.44Å; F255-F263 HydrophobicContact CD1-CE2 4.07Å; F255-F263 AromaticContact CD1-CZ 3.72Å; F255-F263 HydrophobicContact CD1-CZ 3.72Å; F255-F263 HydrophobicContact CE1-CE1 4.23Å; F255-F263 HydrophobicContact CE1-CE2 4.14Å; F255-F263 AromaticContact CE1-CZ 3.46Å; F255-F263 HydrophobicContact CE1-CZ 3.46Å; F255-F263 VanDerWaalsContact CE1-CZ 3.46Å
256K90.8Very high87.6Confident81 Ų8153 Ų5335%0.35230%0.297SS..Hα-helixtrans-69.9-22.5179.8-172.9-177.8-178.7-173.80113.7F252 H253 S254 F263 S272F252-K256 HydrophobicContact CE1-CD 4.08Å; F252-K256 HydrophobicContact CE2-CB 4.49Å; F252-K256 HydrophobicContact CE2-CD 4.44Å; F252-K256 HydrophobicContact CZ-CD 3.76Å; F252-K256 WeakPolarHBondContact O-CB 3.27Å; F252-K256 PolarHBondContact O-N 3.28Å; H253-K256 PolarHBondContact O-N 3.47Å; S254-K256 PolarHBondContact O-N 3.37Å; K256-F263 HydrophobicContact CB-CE2 4.21Å; K256-F263 HydrophobicContact CG-CD2 4.26Å; K256-F263 HydrophobicContact CG-CE2 4.27Å; K256-S272 PolarHBondContact NZ-O 3.42Å
257T90.1Very high87.5Confident88 Ų8850.9 Ų50.954%0.5428%0.281SS..Hα-helixtrans-90.8-7176.154.60000114.2H253 S254 F255H253-T257 WeakPolarHBondContact O-CG2 3.46Å; H253-T257 PolarHBondContact O-N 3.3Å; H253-T257 PolarHBondContact O-OG1 3.13Å; H253-T257 VanDerWaalsContact O-OG1 3.07Å; S254-T257 WeakPolarHBondContact CA-OG1 3.31Å; S254-T257 PolarHBondContact O-N 2.61Å; S254-T257 VanDerWaalsContact O-N 3.13Å; S254-T257 PolarHBondContact O-OG1 2.93Å; F255-T257 VanDerWaalsContact C-N 3.29Å; F255-T257 PolarHBondContact O-N 3.18Å
258N88.2Confident87.1Confident18 Ų1852.3 Ų52.310%0.09630%0.296CS..  trans-68121.9177.2-176.4-13.5000109.8E213 S254 F255 D260 I261 R457E213-N258 PolarHBondContact OE1-ND2 3.07Å; S254-N258 PolarHBondContact O-N 3.05Å; F255-N258 PolarHBondContact O-N 3.26Å; N258-D260 PolarHBondContact O-N 2.81Å; N258-D260 VanDerWaalsContact O-N 3.13Å; N258-D260 PolarHBondContact OD1-N 2.96Å; N258-I261 HydrophobicContact CB-CD1 4Å; N258-I261 HydrophobicContact CB-CG1 3.99Å; N258-I261 WeakPolarHBondContact O-CB 3.43Å; N258-I261 PolarHBondContact O-N 3Å; N258-R457 PolarHBondContact OD1-NH1 3.42Å
259P85.2Confident86.7Confident122 Ų12257.7 Ų57.779%0.79232%0.322SS*.THydrogen-bonded Turntrans-65.3-15.2-175.927.2-37000114.5I261P259-I261 PolarHBondContact O-N 2.79Å
260D84Confident85.7Confident73 Ų7355.8 Ų55.839%0.3931%0.314SS..THydrogen-bonded Turntrans-77.50.1174-62.6-26.9000112.6W216 N258 R457W216-D260 PolarHBondContact NE1-O 2.98Å; N258-D260 PolarHBondContact O-N 2.81Å; N258-D260 VanDerWaalsContact O-N 3.13Å; N258-D260 PolarHBondContact OD1-N 2.96Å; D260-R457 IonicContact OD2-CZ 2.69Å; D260-R457 IonicContact OD2-NH1 2.76Å; D260-R457 PolarHBondContact OD2-NH1 3.16Å
261I88Confident84.9Confident15 Ų1550.2 Ų50.28%0.07730%0.297CS..  trans-124.6100.8-167.6-51.2-164.2000112.3E213 W216 F255 N258 P259 F263E213-I261 HydrophobicContact CG-CD1 4.32Å; W216-I261 HydrophobicContact CD2-CG1 4.5Å; W216-I261 HydrophobicContact CD2-CG2 3.92Å; W216-I261 HydrophobicContact CE3-CG2 4.12Å; W216-I261 HydrophobicContact CG-CD1 4.27Å; W216-I261 HydrophobicContact CG-CG1 4.24Å; W216-I261 HydrophobicContact CG-CG2 4.43Å; W216-I261 HydrophobicContact CH2-CG2 4.31Å; W216-I261 HydrophobicContact CZ2-CG2 4.09Å; W216-I261 HydrophobicContact CZ3-CG2 4.3Å; F255-I261 HydrophobicContact CD2-CD1 3.46Å; F255-I261 VanDerWaalsContact CD2-CD1 3.46Å; F255-I261 HydrophobicContact CE2-CD1 3.18Å; F255-I261 HydrophobicContact CG-CD1 4.31Å; F255-I261 HydrophobicContact CZ-CD1 3.86Å; F255-I261 HydrophobicContact CZ-CG2 4.44Å; N258-I261 HydrophobicContact CB-CD1 4Å; N258-I261 HydrophobicContact CB-CG1 3.99Å; N258-I261 WeakPolarHBondContact O-CB 3.43Å; N258-I261 PolarHBondContact O-N 3Å; P259-I261 PolarHBondContact O-N 2.79Å; I261-F263 HydrophobicContact CG2-CD2 4.19Å; I261-F263 HydrophobicContact CG2-CE2 4.15Å
262D85.3Confident84.5Confident72 Ų7253.7 Ų53.739%0.38532%0.323SS..  trans-105.578.1-179.2-178.37.6000111.6W216 P264 S265W216-D262 WeakPolarHBondContact CH2-O 3.47Å; W216-D262 VanDerWaalsContact CZ2-N 3.3Å; D262-P264 VanDerWaalsContact C-N 3.34Å; D262-P264 WeakPolarHBondContact OD1-CD 3.38Å; D262-S265 PolarHBondContact O-N 3.35Å; D262-S265 PolarHBondContact O-OG 3.36Å; D262-S265 PolarHBondContact OD1-N 3.12Å; D262-S265 WeakPolarHBondContact OD2-CB 3.44Å; D262-S265 PolarHBondContact OD2-OG 3.41Å
263F86.6Confident84.4Confident8 Ų854.5 Ų54.54%0.03533%0.327CS..Hα-helixtrans-54.5-41.9170.1-73.3-68.9000113.4W216 L244 F255 K256 I261 S265 L266 L267 G268 L277W216-F263 HydrophobicContact CZ3-CD1 4.39Å; L244-F263 HydrophobicContact CD2-CZ 4.35Å; F255-F263 HydrophobicContact CD1-CE2 4.07Å; F255-F263 AromaticContact CD1-CZ 3.72Å; F255-F263 HydrophobicContact CD1-CZ 3.72Å; F255-F263 HydrophobicContact CE1-CE1 4.23Å; F255-F263 HydrophobicContact CE1-CE2 4.14Å; F255-F263 AromaticContact CE1-CZ 3.46Å; F255-F263 HydrophobicContact CE1-CZ 3.46Å; F255-F263 VanDerWaalsContact CE1-CZ 3.46Å; K256-F263 HydrophobicContact CB-CE2 4.21Å; K256-F263 HydrophobicContact CG-CD2 4.26Å; K256-F263 HydrophobicContact CG-CE2 4.27Å; I261-F263 HydrophobicContact CG2-CD2 4.19Å; I261-F263 HydrophobicContact CG2-CE2 4.15Å; F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 2.85Å; F263-L266 PolarHBondContact O-N 3.36Å; F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CE1-CD1 4.32Å; F263-L267 PolarHBondContact O-N 2.9Å; F263-G268 PolarHBondContact O-N 3.49Å; F263-L277 HydrophobicContact CB-CD2 4.13Å; F263-L277 HydrophobicContact CD1-CD2 3.89Å; F263-L277 HydrophobicContact CE1-CD2 4.37Å; F263-L277 HydrophobicContact CG-CD2 4.07Å
264P85.5Confident84.5Confident70 Ų7050.9 Ų50.946%0.45531%0.308SS..Hα-helixtrans-54.8-38.5177.3-30.536.9000115.8D262 G268D262-P264 VanDerWaalsContact C-N 3.34Å; D262-P264 WeakPolarHBondContact OD1-CD 3.38Å; P264-G268 WeakPolarHBondContact CA-O 3.42Å; P264-G268 WeakPolarHBondContact O-CA 3.37Å; P264-G268 PolarHBondContact O-N 2.86Å; P264-G268 VanDerWaalsContact O-N 3.17Å
265S82.4Confident84.7Confident37 Ų3749.4 Ų49.426%0.25930%0.296SS..Hα-helixtrans-75.3-37.6177.960.80000113.5D262 F263 S442D262-S265 PolarHBondContact O-N 3.35Å; D262-S265 PolarHBondContact O-OG 3.36Å; D262-S265 PolarHBondContact OD1-N 3.12Å; D262-S265 WeakPolarHBondContact OD2-CB 3.44Å; D262-S265 PolarHBondContact OD2-OG 3.41Å; F263-S265 VanDerWaalsContact C-N 3.35Å; F263-S265 PolarHBondContact O-N 2.85Å; S265-S442 WeakPolarHBondContact O-CB 3.33Å
266L83.9Confident84.8Confident3 Ų350 Ų502%0.01630%0.3CS..Hα-helixtrans-85.1-43-177.4179.862.7000114.3W216 L219 Y223 L237 F263 S442 V444W216-L266 HydrophobicContact CE3-CD2 4.46Å; W216-L266 HydrophobicContact CH2-CB 4.18Å; W216-L266 HydrophobicContact CH2-CD2 4.01Å; W216-L266 HydrophobicContact CZ3-CB 4.49Å; W216-L266 HydrophobicContact CZ3-CD2 3.64Å; L219-L266 HydrophobicContact CD1-CD2 4Å; Y223-L266 HydrophobicContact CE2-CD1 3.55Å; Y223-L266 VanDerWaalsContact OH-CD1 3.3Å; Y223-L266 WeakPolarHBondContact OH-CD1 3.39Å; L237-L266 HydrophobicContact CD2-CD2 4.14Å; F263-L266 PolarHBondContact O-N 3.36Å; L266-S442 PolarHBondContact O-OG 2.87Å; L266-V444 HydrophobicContact CB-CG2 4.25Å; L266-V444 HydrophobicContact CD1-CG2 3.89Å
267L84.9Confident85Confident9 Ų946.4 Ų46.45%0.04728%0.284CS..Hα-helixtrans-113.2-3-173.9-59.3-175.7000113.2L237 F263 L277 Q280 A281 M284L237-L267 HydrophobicContact CD2-CD2 3.96Å; F263-L267 HydrophobicContact CD1-CD1 3.92Å; F263-L267 HydrophobicContact CE1-CD1 4.32Å; F263-L267 PolarHBondContact O-N 2.9Å; L267-L277 HydrophobicContact CB-CD2 4.46Å; L267-L277 HydrophobicContact CD1-CD2 4.04Å; L267-Q280 HydrophobicContact CB-CG 4.06Å; L267-Q280 HydrophobicContact CD2-CG 4.46Å; L267-Q280 WeakPolarHBondContact O-CG 3.49Å; L267-A281 HydrophobicContact CD1-CB 4Å; L267-A281 HydrophobicContact CD2-CB 4.4Å; L267-M284 HydrophobicContact CD2-CB 4.37Å; L267-M284 HydrophobicContact CD2-CG 3.92Å
268G80.3Confident85.3Confident30 Ų3042.2 Ų42.231%0.30926%0.258SS..  trans68.9-153.8-170.900000112.3F263 P264 P270F263-G268 PolarHBondContact O-N 3.49Å; P264-G268 WeakPolarHBondContact CA-O 3.42Å; P264-G268 WeakPolarHBondContact O-CA 3.37Å; P264-G268 PolarHBondContact O-N 2.86Å; P264-G268 VanDerWaalsContact O-N 3.17Å; G268-P270 WeakPolarHBondContact O-CD 3.24Å
269N75.9Confident85.7Confident147 Ų14741.6 Ų41.679%0.78626%0.256SS*.  trans-111.467.9179.6-70.4-59.4000111.8G271N269-G271 PolarHBondContact O-N 3.3Å
270P65.1Low86.2Confident42 Ų4237.5 Ų37.527%0.27323%0.226SC..SBendtrans-71.8-16.4-177.931.4-36.8000113.3G268 L277 Q280G268-P270 WeakPolarHBondContact O-CD 3.24Å; P270-L277 HydrophobicContact CG-CD2 3.6Å; P270-L277 HydrophobicContact CG-CG 4.06Å; P270-Q280 HydrophobicContact CB-CB 3.82Å; P270-Q280 HydrophobicContact CB-CG 4.12Å; P270-Q280 HydrophobicContact CG-CB 3.87Å; P270-Q280 HydrophobicContact CG-CG 4.16Å
271G70.4Confident86.7Confident33 Ų3334 Ų3434%0.3421%0.207SC..  trans152.1172.617900000111.8N269N269-G271 PolarHBondContact O-N 3.3Å
272S80.2Confident87.1Confident93 Ų9333.3 Ų33.365%0.6520%0.204SC*.SBendtrans-82.4-18.9178.454.60000114.1F252 K256F252-S272 WeakPolarHBondContact CE1-O 3.41Å; K256-S272 PolarHBondContact NZ-O 3.42Å
273H90.9Very high87.6Confident33 Ų3331.2 Ų31.215%0.15319%0.191CC..SBendtrans-95.4139.2-166.2-173.4-82.8000113.2L275 L276 L277 Y310 S313 A315H273-L275 PolarHBondContact ND1-N 3.28Å; H273-L275 PolarHBondContact O-N 2.98Å; H273-L276 PolarHBondContact O-N 3Å; H273-L277 PolarHBondContact O-N 3.24Å; H273-Y310 HydrophobicContact CB-CD2 4.5Å; H273-Y310 HydrophobicContact CB-CE2 3.87Å; H273-Y310 AromaticContact CD2-CE2 3.95Å; H273-Y310 AromaticContact CE1-CD2 3.71Å; H273-Y310 AromaticContact CG-CD2 3.94Å; H273-Y310 AromaticContact CG-CE2 3.6Å; H273-Y310 AromaticContact ND1-CD2 3.47Å; H273-Y310 WeakPolarHBondContact ND1-CD2 3.18Å; H273-Y310 AromaticContact ND1-CE2 3.66Å; H273-S313 PolarHBondContact NE2-OG 2.85Å; H273-A315 VanDerWaalsContact CD2-CB 3.47Å; H273-A315 WeakPolarHBondContact CD2-CB 3.48Å
274R93.3Very high88Confident45 Ų4531.2 Ų31.217%0.1719%0.191CC..Hα-helixtrans-55.7-41.7-173.165.9-170.6176.193.8-8114.9L244 V245 M247 D249 F252 L276 L277 A278L244-R274 WeakPolarHBondContact O-CD 3.28Å; L244-R274 PolarHBondContact O-NH1 3.16Å; V245-R274 PolarHBondContact O-NH1 3.23Å; M247-R274 PolarHBondContact O-NH1 3.29Å; D249-R274 VanDerWaalsContact OD1-CD 3.28Å; D249-R274 WeakPolarHBondContact OD1-CD 3.41Å; D249-R274 IonicContact OD1-CZ 3.7Å; D249-R274 IonicContact OD1-NE 3.27Å; D249-R274 PolarHBondContact OD1-NE 2.94Å; D249-R274 IonicContact OD1-NH2 3.38Å; F252-R274 HydrophobicContact CB-CB 4.33Å; F252-R274 HydrophobicContact CD1-CB 3.82Å; F252-R274 HydrophobicContact CD2-CB 3.6Å; F252-R274 HydrophobicContact CE1-CB 3.98Å; F252-R274 HydrophobicContact CE2-CB 3.78Å; F252-R274 HydrophobicContact CG-CB 3.62Å; F252-R274 HydrophobicContact CZ-CB 3.96Å; R274-L276 VanDerWaalsContact C-N 3.27Å; R274-L276 PolarHBondContact O-N 2.95Å; R274-L277 PolarHBondContact O-N 2.9Å; R274-A278 WeakPolarHBondContact O-CB 3.47Å; R274-A278 PolarHBondContact O-N 3.12Å
275L94.7Very high88.4Confident19 Ų1927.9 Ų27.910%0.09917%0.17CC..Hα-helixtrans-63-27.5177-62.4-178.6000114V245 H273 A279 C306 L309 Y310V245-L275 HydrophobicContact CG2-CD2 3.93Å; H273-L275 PolarHBondContact ND1-N 3.28Å; H273-L275 PolarHBondContact O-N 2.98Å; L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.18Å; L275-C306 WeakPolarHBondContact O-CB 3.46Å; L275-L309 HydrophobicContact CD1-CB 3.85Å; L275-Y310 HydrophobicContact CB-CD2 4.42Å
276L95.3Very high89Confident13 Ų1326.1 Ų26.17%0.06816%0.157CC..Hα-helixtrans-77.5-37.3175.9-69.9178.2000111.6H273 R274 A279 Q280 L307 Y310 F324H273-L276 PolarHBondContact O-N 3Å; R274-L276 VanDerWaalsContact C-N 3.27Å; R274-L276 PolarHBondContact O-N 2.95Å; L276-A279 PolarHBondContact O-N 3.16Å; L276-Q280 PolarHBondContact O-N 3.44Å; L276-L307 HydrophobicContact CD2-CD2 4.42Å; L276-Y310 HydrophobicContact CD1-CD1 4.3Å; L276-Y310 HydrophobicContact CD1-CE1 3.75Å; L276-Y310 HydrophobicContact CD1-CE2 4.04Å; L276-Y310 HydrophobicContact CD2-CD1 3.57Å; L276-Y310 HydrophobicContact CD2-CD2 4.45Å; L276-Y310 HydrophobicContact CD2-CE1 3.83Å; L276-Y310 HydrophobicContact CD2-CG 3.89Å; L276-Y310 HydrophobicContact CG-CD1 3.99Å; L276-Y310 HydrophobicContact CG-CD2 4.09Å; L276-Y310 HydrophobicContact CG-CE1 3.96Å; L276-Y310 HydrophobicContact CG-CE2 4.06Å; L276-Y310 HydrophobicContact CG-CG 4.04Å; L276-F324 HydrophobicContact CD2-CD1 4.11Å; L276-F324 HydrophobicContact CD2-CE1 3.56Å; L276-F324 HydrophobicContact CD2-CZ 4.15Å
277L94.9Very high89.5Confident4 Ų426.7 Ų26.72%0.02116%0.161CC..Hα-helixtrans-68-37.1171.2-75.8156.6000111.5L244 F252 F263 L267 P270 H273 R274 Q280 A281L244-L277 HydrophobicContact CD1-CB 4.18Å; F252-L277 HydrophobicContact CE2-CD1 3.76Å; F252-L277 HydrophobicContact CZ-CD1 3.61Å; F263-L277 HydrophobicContact CB-CD2 4.13Å; F263-L277 HydrophobicContact CD1-CD2 3.89Å; F263-L277 HydrophobicContact CE1-CD2 4.37Å; F263-L277 HydrophobicContact CG-CD2 4.07Å; L267-L277 HydrophobicContact CB-CD2 4.46Å; L267-L277 HydrophobicContact CD1-CD2 4.04Å; P270-L277 HydrophobicContact CG-CD2 3.6Å; P270-L277 HydrophobicContact CG-CG 4.06Å; H273-L277 PolarHBondContact O-N 3.24Å; R274-L277 PolarHBondContact O-N 2.9Å; L277-Q280 PolarHBondContact O-N 3.41Å; L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.32Å; L277-A281 PolarHBondContact O-N 3.27Å
278A96.5Very high89.8Confident0 Ų026.9 Ų26.90%016%0.161CC..Hα-helixtrans-62.2-44.9172.200000111.6A241 L244 V245 R274 Q280 A281 A282 C306A241-A278 HydrophobicContact CB-CB 4.48Å; A241-A278 WeakPolarHBondContact CB-O 3.5Å; L244-A278 HydrophobicContact CB-CB 3.78Å; L244-A278 HydrophobicContact CD1-CB 4.3Å; V245-A278 HydrophobicContact CG2-CB 3.95Å; R274-A278 WeakPolarHBondContact O-CB 3.47Å; R274-A278 PolarHBondContact O-N 3.12Å; A278-Q280 PolarHBondContact O-N 3.13Å; A278-A281 PolarHBondContact O-N 3.01Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.27Å; A278-A282 PolarHBondContact O-N 2.84Å; A278-C306 HydrophobicContact CB-CB 4.44Å
279A96.8Very high90.4Very high5 Ų525.8 Ų25.84%0.04115%0.149CC..Hα-helixtrans-60.9-43174.500000112.3L275 L276 A282 K283 Q303 C306 L307L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.18Å; L276-A279 PolarHBondContact O-N 3.16Å; A279-A282 PolarHBondContact O-N 2.68Å; A279-K283 PolarHBondContact O-N 2.69Å; A279-Q303 HydrophobicContact CB-CG 4.43Å; A279-C306 HydrophobicContact CB-CB 3.84Å; A279-L307 HydrophobicContact CB-CD2 3.84Å; A279-L307 HydrophobicContact CB-CG 3.82Å
280Q94.9Very high91.2Very high37 Ų3719.9 Ų19.917%0.17312%0.117CC..Hα-helixtrans-72.1-38.7178.9-172.161.220.700112.5L267 P270 L276 L277 A278 A282 K283 M284 D439L267-Q280 HydrophobicContact CB-CG 4.06Å; L267-Q280 HydrophobicContact CD2-CG 4.46Å; L267-Q280 WeakPolarHBondContact O-CG 3.49Å; P270-Q280 HydrophobicContact CB-CB 3.82Å; P270-Q280 HydrophobicContact CB-CG 4.12Å; P270-Q280 HydrophobicContact CG-CB 3.87Å; P270-Q280 HydrophobicContact CG-CG 4.16Å; L276-Q280 PolarHBondContact O-N 3.44Å; L277-Q280 PolarHBondContact O-N 3.41Å; A278-Q280 PolarHBondContact O-N 3.13Å; Q280-A282 VanDerWaalsContact C-N 3.33Å; Q280-A282 PolarHBondContact O-N 2.64Å; Q280-K283 WeakPolarHBondContact O-CB 3.21Å; Q280-K283 PolarHBondContact O-N 3.39Å; Q280-M284 WeakPolarHBondContact O-CG 3.36Å; Q280-M284 PolarHBondContact O-N 3.25Å; Q280-D439 PolarHBondContact NE2-OD2 2.74Å
281A95.3Very high92.5Very high0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-60.7-43.7172.400000111L237 A241 L267 L277 A278 M284 A285L237-A281 HydrophobicContact CD2-CB 4.32Å; A241-A281 HydrophobicContact CB-CB 4.12Å; L267-A281 HydrophobicContact CD1-CB 4Å; L267-A281 HydrophobicContact CD2-CB 4.4Å; L277-A281 VanDerWaalsContact O-CB 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.32Å; L277-A281 PolarHBondContact O-N 3.27Å; A278-A281 PolarHBondContact O-N 3.01Å; A281-M284 PolarHBondContact O-N 3.26Å; A281-A285 WeakPolarHBondContact O-CB 3.48Å; A281-A285 PolarHBondContact O-N 3.07Å
282A96.9Very high93.4Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-62.9-40.6173.100000112.4A241 A278 A279 Q280 A285 V286 A302 Q303A241-A282 HydrophobicContact CB-CB 3.99Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.27Å; A278-A282 PolarHBondContact O-N 2.84Å; A279-A282 PolarHBondContact O-N 2.68Å; Q280-A282 VanDerWaalsContact C-N 3.33Å; Q280-A282 PolarHBondContact O-N 2.64Å; A282-A285 WeakPolarHBondContact O-CB 3.41Å; A282-A285 PolarHBondContact O-N 2.9Å; A282-V286 WeakPolarHBondContact O-CG2 3.41Å; A282-V286 PolarHBondContact O-N 3.33Å; A282-A302 HydrophobicContact CB-CB 4.3Å; A282-Q303 HydrophobicContact CB-CB 3.78Å
283K95.5Very high94Very high27 Ų2714.1 Ų14.112%0.1177%0.07CC..Hα-helixtrans-60.4-46.7173.5-167.4-165.3174.8-169.70111.8A279 Q280 A285 V286 V287 Y436 D439A279-K283 PolarHBondContact O-N 2.69Å; Q280-K283 WeakPolarHBondContact O-CB 3.21Å; Q280-K283 PolarHBondContact O-N 3.39Å; K283-A285 VanDerWaalsContact C-N 3.32Å; K283-A285 PolarHBondContact O-N 2.95Å; K283-V286 WeakPolarHBondContact O-CB 3.33Å; K283-V286 PolarHBondContact O-N 3.44Å; K283-V286 VanDerWaalsContact O-N 3.17Å; K283-V287 PolarHBondContact O-N 2.89Å; K283-V287 VanDerWaalsContact O-N 3.11Å; K283-Y436 HydrophobicContact CD-CD1 4.5Å; K283-Y436 HydrophobicContact CG-CD1 3.76Å; K283-Y436 HydrophobicContact CG-CE1 3.66Å; K283-D439 WeakPolarHBondContact CE-OD2 3.48Å; K283-D439 IonicContact NZ-OD1 3.15Å; K283-D439 PolarHBondContact NZ-OD1 2.7Å; K283-D439 IonicContact NZ-OD2 2.76Å; K283-D439 PolarHBondContact NZ-OD2 2.7Å
284M93.7Very high94Very high8 Ų813.3 Ų13.34%0.0397%0.067CC..Hα-helixtrans-65.8-36.1177.6-65.9-54.2-66.200111.6L237 L267 Q280 A281 V286 V287 Y288 D439L237-M284 HydrophobicContact CD1-CB 3.74Å; L267-M284 HydrophobicContact CD2-CB 4.37Å; L267-M284 HydrophobicContact CD2-CG 3.92Å; Q280-M284 WeakPolarHBondContact O-CG 3.36Å; Q280-M284 PolarHBondContact O-N 3.25Å; A281-M284 PolarHBondContact O-N 3.26Å; M284-V286 VanDerWaalsContact C-N 3.3Å; M284-V286 PolarHBondContact O-N 3.5Å; M284-V287 PolarHBondContact O-N 2.72Å; M284-Y288 HydrophobicContact CE-CE2 4.19Å; M284-Y288 WeakPolarHBondContact O-CD2 3.28Å; M284-Y288 PolarHBondContact O-N 2.83Å; M284-D439 HydrophobicContact SD-CB 4.43Å
285A95.3Very high93.9Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-59.3-39.2171.900000112.6G234 L237 A281 A282 K283 Y288 S289 N299G234-A285 VanDerWaalsContact O-CB 3.27Å; G234-A285 WeakPolarHBondContact O-CB 3.45Å; L237-A285 HydrophobicContact CB-CB 3.86Å; A281-A285 WeakPolarHBondContact O-CB 3.48Å; A281-A285 PolarHBondContact O-N 3.07Å; A282-A285 WeakPolarHBondContact O-CB 3.41Å; A282-A285 PolarHBondContact O-N 2.9Å; K283-A285 VanDerWaalsContact C-N 3.32Å; K283-A285 PolarHBondContact O-N 2.95Å; A285-Y288 PolarHBondContact O-N 3.34Å; A285-S289 WeakPolarHBondContact O-CB 3.25Å; A285-S289 PolarHBondContact O-N 3.04Å; A285-S289 PolarHBondContact O-OG 2.86Å; A285-N299 HydrophobicContact CB-CB 4.15Å; A285-N299 WeakPolarHBondContact CB-ND2 3.32Å
286V95.2Very high94Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-62.7-43.7173.21700000111.9A282 K283 M284 S289 Q290 V296 N299 V300 I432 Y436A282-V286 WeakPolarHBondContact O-CG2 3.41Å; A282-V286 PolarHBondContact O-N 3.33Å; K283-V286 WeakPolarHBondContact O-CB 3.33Å; K283-V286 PolarHBondContact O-N 3.44Å; K283-V286 VanDerWaalsContact O-N 3.17Å; M284-V286 VanDerWaalsContact C-N 3.3Å; M284-V286 PolarHBondContact O-N 3.5Å; V286-S289 CarbonylContact O-C 3.46Å; V286-S289 PolarHBondContact O-N 3.47Å; V286-Q290 WeakPolarHBondContact O-CA 3.47Å; V286-Q290 PolarHBondContact O-N 2.95Å; V286-Q290 VanDerWaalsContact O-N 3.11Å; V286-V296 HydrophobicContact CG1-CG1 4.08Å; V286-V296 HydrophobicContact CG1-CG2 4.47Å; V286-N299 HydrophobicContact CG2-CB 3.42Å; V286-N299 VanDerWaalsContact CG2-CB 3.42Å; V286-V300 HydrophobicContact CB-CG1 4.23Å; V286-V300 HydrophobicContact CG1-CG1 3.78Å; V286-V300 HydrophobicContact CG2-CB 4.28Å; V286-V300 HydrophobicContact CG2-CG1 3.41Å; V286-V300 VanDerWaalsContact CG2-CG1 3.41Å; V286-I432 HydrophobicContact CG1-CB 4.45Å; V286-I432 HydrophobicContact CG1-CG2 3.49Å; V286-I432 VanDerWaalsContact CG1-CG2 3.49Å; V286-Y436 HydrophobicContact CB-CD1 4.45Å; V286-Y436 HydrophobicContact CG1-CD1 3.89Å; V286-Y436 HydrophobicContact CG1-CE1 4.08Å
287V93.3Very high94Very high16 Ų1613.6 Ų13.610%0.0977%0.067CC..Hα-helixtrans-63.2-42.6178.4175.10000111.2K283 M284 Q290 I432 Y436K283-V287 PolarHBondContact O-N 2.89Å; K283-V287 VanDerWaalsContact O-N 3.11Å; M284-V287 PolarHBondContact O-N 2.72Å; V287-Q290 WeakPolarHBondContact O-CB 3.38Å; V287-Q290 WeakPolarHBondContact O-CG 3.47Å; V287-Q290 PolarHBondContact O-NE2 3.44Å; V287-I432 HydrophobicContact CG2-CD1 4.35Å; V287-Y436 WeakPolarHBondContact CG2-O 3.36Å
288Y92.2Very high94.1Very high12 Ų1214.3 Ų14.35%0.0477%0.071CC..Hα-helixtrans-73.3-28.6177-73.4-59.6000114W64 Y223 K230 I233 L237 M284 A285 D441W64-Y288 WeakPolarHBondContact CZ3-O 3.38Å; Y223-Y288 WeakPolarHBondContact OH-CE2 3.44Å; Y223-Y288 PolarHBondContact OH-OH 2.88Å; K230-Y288 HydrophobicContact CB-CD1 4Å; K230-Y288 HydrophobicContact CG-CD1 4.02Å; K230-Y288 HydrophobicContact CG-CE1 4.42Å; K230-Y288 WeakPolarHBondContact O-CB 3.39Å; I233-Y288 HydrophobicContact CG2-CD2 3.54Å; I233-Y288 HydrophobicContact CG2-CE2 3.49Å; I233-Y288 VanDerWaalsContact CG2-CE2 3.49Å; I233-Y288 HydrophobicContact CG2-CG 4.11Å; L237-Y288 HydrophobicContact CD1-CD2 3.69Å; L237-Y288 HydrophobicContact CD1-CE2 3.88Å; M284-Y288 HydrophobicContact CE-CE2 4.19Å; M284-Y288 WeakPolarHBondContact O-CD2 3.28Å; M284-Y288 PolarHBondContact O-N 2.83Å; A285-Y288 PolarHBondContact O-N 3.34Å; Y288-D441 VanDerWaalsContact CE1-OD1 3.23Å; Y288-D441 WeakPolarHBondContact CE1-OD1 3.39Å; Y288-D441 VanDerWaalsContact CZ-OD1 3.25Å; Y288-D441 PolarHBondContact OH-OD1 2.89Å
289S91.9Very high94.1Very high7 Ų714.9 Ų14.95%0.0497%0.074CC..THydrogen-bonded Turntrans-96.115.8177.981.30000114.5A285 V286 Y291 A292 Y295 V296A285-S289 WeakPolarHBondContact O-CB 3.25Å; A285-S289 PolarHBondContact O-N 3.04Å; A285-S289 PolarHBondContact O-OG 2.86Å; V286-S289 CarbonylContact O-C 3.46Å; V286-S289 PolarHBondContact O-N 3.47Å; S289-Y291 PolarHBondContact O-N 2.79Å; S289-A292 PolarHBondContact O-N 3.5Å; S289-Y295 WeakPolarHBondContact OG-CB 3.39Å; S289-V296 WeakPolarHBondContact O-CG2 3.43Å
290Q92.9Very high94.1Very high24 Ų2414.7 Ų14.711%0.1127%0.072CC..THydrogen-bonded Turntrans-62.2-8.9-162.270.9178.3-97.300117.3V286 V287 S430 F431 I432 R437V286-Q290 WeakPolarHBondContact O-CA 3.47Å; V286-Q290 PolarHBondContact O-N 2.95Å; V286-Q290 VanDerWaalsContact O-N 3.11Å; V287-Q290 WeakPolarHBondContact O-CB 3.38Å; V287-Q290 WeakPolarHBondContact O-CG 3.47Å; V287-Q290 PolarHBondContact O-NE2 3.44Å; Q290-S430 WeakPolarHBondContact CB-OG 3.42Å; Q290-S430 WeakPolarHBondContact O-CA 3.35Å; Q290-S430 PolarHBondContact O-OG 3.29Å; Q290-S430 PolarHBondContact OE1-OG 2.94Å; Q290-F431 PolarHBondContact O-N 3.34Å; Q290-I432 HydrophobicContact CB-CD1 3.75Å; Q290-I432 HydrophobicContact CB-CG1 4.04Å; Q290-I432 HydrophobicContact CB-CG2 3.77Å; Q290-I432 HydrophobicContact CG-CD1 4.5Å; Q290-R437 VanDerWaalsContact OE1-CZ 3.31Å
291Y91.6Very high94.2Very high14 Ų1413.1 Ų13.16%0.0557%0.065CC..THydrogen-bonded Turntrans-107.18.1178.2-53.7-68.5000113.1W64 I70 K75 N77 S289 D427W64-Y291 HydrophobicContact CB-CD2 4.18Å; W64-Y291 HydrophobicContact CD2-CD2 4.4Å; W64-Y291 HydrophobicContact CG-CD2 4.15Å; I70-Y291 HydrophobicContact CD1-CD2 4.47Å; I70-Y291 HydrophobicContact CD1-CE2 3.57Å; I70-Y291 HydrophobicContact CG2-CE2 4.09Å; K75-Y291 HydrophobicContact CB-CD1 3.87Å; K75-Y291 HydrophobicContact CB-CE1 4.39Å; K75-Y291 HydrophobicContact CB-CG 4.31Å; K75-Y291 HydrophobicContact CD-CD1 3.9Å; K75-Y291 HydrophobicContact CD-CE1 3.6Å; K75-Y291 HydrophobicContact CG-CD1 3.6Å; K75-Y291 HydrophobicContact CG-CE1 3.62Å; K75-Y291 HydrophobicContact CG-CG 4.2Å; N77-Y291 PolarHBondContact ND2-O 3.16Å; S289-Y291 PolarHBondContact O-N 2.79Å; Y291-D427 WeakPolarHBondContact CE1-OD2 3.21Å; Y291-D427 PolarHBondContact OH-OD2 2.93Å
292A90.9Very high94.3Very high8 Ų814 Ų147%0.0667%0.072CC..  trans-128.8101179.600000111S289 L294 Y295 V296S289-A292 PolarHBondContact O-N 3.5Å; A292-L294 PolarHBondContact O-N 3.32Å; A292-Y295 HydrophobicContact CB-CD2 3.71Å; A292-Y295 HydrophobicContact CB-CE2 4.48Å; A292-Y295 PolarHBondContact O-N 3.12Å; A292-V296 PolarHBondContact O-N 3.09Å; A292-V296 VanDerWaalsContact O-N 3.1Å
293S91.9Very high94.3Very high24 Ų2414.5 Ų14.517%0.1688%0.075CC..Hα-helixtrans-48.4-49.6-170.659.20000114Y295 V296 L297S293-Y295 VanDerWaalsContact C-N 3.32Å; S293-Y295 PolarHBondContact O-N 2.89Å; S293-V296 PolarHBondContact O-N 3.33Å; S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 PolarHBondContact O-N 3.48Å
294L90.3Very high94.5Very high17 Ų1713.2 Ų13.29%0.0897%0.069CC..Hα-helixtrans-62-35.6-178.2-179.957.9000113.1A292 T298 Q349 E350A292-L294 PolarHBondContact O-N 3.32Å; L294-T298 VanDerWaalsContact O-CB 3.25Å; L294-T298 WeakPolarHBondContact O-CB 3.42Å; L294-T298 PolarHBondContact O-N 2.85Å; L294-T298 PolarHBondContact O-OG1 3.37Å; L294-Q349 HydrophobicContact CD1-CG 4.18Å; L294-E350 HydrophobicContact CD1-CB 3.82Å; L294-E350 HydrophobicContact CD1-CG 4.01Å
295Y92.3Very high94.6Very high82 Ų8213.6 Ų13.632%0.3227%0.073SC..Hα-helixtrans-75.1-40.6177.1-68.2-92.2000111S289 A292 S293 T298 N299S289-Y295 WeakPolarHBondContact OG-CB 3.39Å; A292-Y295 HydrophobicContact CB-CD2 3.71Å; A292-Y295 HydrophobicContact CB-CE2 4.48Å; A292-Y295 PolarHBondContact O-N 3.12Å; S293-Y295 VanDerWaalsContact C-N 3.32Å; S293-Y295 PolarHBondContact O-N 2.89Å; Y295-T298 PolarHBondContact O-N 2.82Å; Y295-N299 WeakPolarHBondContact O-CB 3.41Å; Y295-N299 PolarHBondContact O-N 3.36Å; Y295-N299 PolarHBondContact O-ND2 3.11Å
296V95.8Very high94.7Very high0 Ų013.8 Ų13.80%07%0.074CC..Hα-helixtrans-58.5-54.9171.9172.50000110.2V286 S289 A292 S293 T298 N299 V300 I334 T338 F431 I432V286-V296 HydrophobicContact CG1-CG1 4.08Å; V286-V296 HydrophobicContact CG1-CG2 4.47Å; S289-V296 WeakPolarHBondContact O-CG2 3.43Å; A292-V296 PolarHBondContact O-N 3.09Å; A292-V296 VanDerWaalsContact O-N 3.1Å; S293-V296 PolarHBondContact O-N 3.33Å; V296-T298 VanDerWaalsContact C-N 3.31Å; V296-T298 PolarHBondContact O-N 2.79Å; V296-N299 PolarHBondContact O-N 2.8Å; V296-V300 HydrophobicContact CG1-CG1 4.17Å; V296-V300 VanDerWaalsContact O-CG2 3.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.18Å; V296-V300 PolarHBondContact O-N 3.42Å; V296-I334 HydrophobicContact CG1-CG2 4.3Å; V296-T338 HydrophobicContact CB-CG2 4.1Å; V296-T338 HydrophobicContact CG1-CG2 3.68Å; V296-F431 HydrophobicContact CB-CB 4.31Å; V296-F431 HydrophobicContact CG1-CB 4.14Å; V296-F431 HydrophobicContact CG2-CB 4.2Å; V296-I432 HydrophobicContact CG1-CG2 4.11Å; V296-I432 HydrophobicContact CG2-CG2 4.1Å
297L96.6Very high94.9Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-52.5-46.7176.5172.661.6000112S293 T301 G335 T338 E350 T353 F354 A357S293-L297 WeakPolarHBondContact O-CB 3.36Å; S293-L297 PolarHBondContact O-N 3.48Å; L297-T301 VanDerWaalsContact O-CB 3.23Å; L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 2.9Å; L297-T301 VanDerWaalsContact O-N 3.15Å; L297-T301 PolarHBondContact O-OG1 2.86Å; L297-G335 WeakPolarHBondContact CD1-O 3.45Å; L297-T338 HydrophobicContact CB-CG2 4.14Å; L297-E350 HydrophobicContact CD2-CG 3.84Å; L297-T353 HydrophobicContact CD1-CG2 4.14Å; L297-T353 HydrophobicContact CD2-CG2 4.28Å; L297-T353 HydrophobicContact CG-CG2 3.74Å; L297-F354 HydrophobicContact CD1-CD1 4.06Å; L297-F354 HydrophobicContact CD1-CE1 4.09Å; L297-F354 HydrophobicContact CD2-CD1 4.26Å; L297-F354 HydrophobicContact CD2-CD2 3.84Å; L297-F354 HydrophobicContact CD2-CE1 4.16Å; L297-F354 HydrophobicContact CD2-CE2 3.74Å; L297-F354 HydrophobicContact CD2-CG 4.08Å; L297-F354 HydrophobicContact CD2-CZ 3.87Å; L297-A357 HydrophobicContact CD1-CB 4.46Å
298T95.4Very high95.1Very high19 Ų1914.3 Ų14.312%0.1178%0.076CC..Hα-helixtrans-62.1-48.8179-62.30000111.6L294 Y295 V296 A302L294-T298 VanDerWaalsContact O-CB 3.25Å; L294-T298 WeakPolarHBondContact O-CB 3.42Å; L294-T298 PolarHBondContact O-N 2.85Å; L294-T298 PolarHBondContact O-OG1 3.37Å; Y295-T298 PolarHBondContact O-N 2.82Å; V296-T298 VanDerWaalsContact C-N 3.31Å; V296-T298 PolarHBondContact O-N 2.79Å; T298-A302 PolarHBondContact O-N 3.31Å; T298-A302 VanDerWaalsContact O-N 3.09Å
299N97Very high95.2Very high13 Ų1315.6 Ų15.67%0.078%0.084CC..Hα-helixtrans-79-36.7-172.6-67.3-34.1000112.7A285 V286 Y295 V296 T301 A302 Q303A285-N299 HydrophobicContact CB-CB 4.15Å; A285-N299 WeakPolarHBondContact CB-ND2 3.32Å; V286-N299 HydrophobicContact CG2-CB 3.42Å; V286-N299 VanDerWaalsContact CG2-CB 3.42Å; Y295-N299 WeakPolarHBondContact O-CB 3.41Å; Y295-N299 PolarHBondContact O-N 3.36Å; Y295-N299 PolarHBondContact O-ND2 3.11Å; V296-N299 PolarHBondContact O-N 2.8Å; N299-T301 VanDerWaalsContact C-N 3.31Å; N299-T301 PolarHBondContact O-N 3.08Å; N299-A302 WeakPolarHBondContact O-CB 3.3Å; N299-A302 PolarHBondContact O-N 3.23Å; N299-Q303 WeakPolarHBondContact O-CB 3.41Å; N299-Q303 PolarHBondContact O-N 3.45Å
300V97.3Very high95.4Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-66-34.9171.4-60.60000111.6V286 V296 A302 Q303 G304 A331 I334 Y436V286-V300 HydrophobicContact CB-CG1 4.23Å; V286-V300 HydrophobicContact CG1-CG1 3.78Å; V286-V300 HydrophobicContact CG2-CB 4.28Å; V286-V300 HydrophobicContact CG2-CG1 3.41Å; V286-V300 VanDerWaalsContact CG2-CG1 3.41Å; V296-V300 HydrophobicContact CG1-CG1 4.17Å; V296-V300 VanDerWaalsContact O-CG2 3.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.18Å; V296-V300 PolarHBondContact O-N 3.42Å; V300-A302 VanDerWaalsContact C-N 3.32Å; V300-A302 PolarHBondContact O-N 2.89Å; V300-Q303 PolarHBondContact O-N 2.92Å; V300-G304 PolarHBondContact O-N 3.29Å; V300-A331 HydrophobicContact CB-CB 4.36Å; V300-A331 WeakPolarHBondContact CB-O 3.48Å; V300-A331 VanDerWaalsContact CG2-O 3.27Å; V300-A331 WeakPolarHBondContact CG2-O 3.44Å; V300-I334 HydrophobicContact CG1-CB 4.3Å; V300-I334 HydrophobicContact CG1-CG2 3.96Å; V300-Y436 HydrophobicContact CG1-CE1 4.43Å
301T97.6Very high95.6Very high4 Ų414.9 Ų14.93%0.0258%0.079CC..Hα-helixtrans-66.4-36.9174.8-56.80000111L297 N299 S305 F332 T353 K356 A357L297-T301 VanDerWaalsContact O-CB 3.23Å; L297-T301 WeakPolarHBondContact O-CB 3.35Å; L297-T301 PolarHBondContact O-N 2.9Å; L297-T301 VanDerWaalsContact O-N 3.15Å; L297-T301 PolarHBondContact O-OG1 2.86Å; N299-T301 VanDerWaalsContact C-N 3.31Å; N299-T301 PolarHBondContact O-N 3.08Å; T301-S305 WeakPolarHBondContact O-CB 3.36Å; T301-S305 PolarHBondContact O-N 3.4Å; T301-S305 PolarHBondContact O-OG 3.19Å; T301-F332 HydrophobicContact CG2-CE1 4.22Å; T301-T353 HydrophobicContact CG2-CG2 4.27Å; T301-K356 HydrophobicContact CG2-CB 4.31Å; T301-K356 HydrophobicContact CG2-CD 3.93Å; T301-K356 HydrophobicContact CG2-CG 3.92Å; T301-A357 HydrophobicContact CG2-CB 4.39Å
302A96.7Very high95.7Very high18 Ų1814.7 Ų14.715%0.1498%0.078CC..Hα-helixtrans-66.3-46.7172.400000111.9A282 T298 N299 V300 S305 C306A282-A302 HydrophobicContact CB-CB 4.3Å; T298-A302 PolarHBondContact O-N 3.31Å; T298-A302 VanDerWaalsContact O-N 3.09Å; N299-A302 WeakPolarHBondContact O-CB 3.3Å; N299-A302 PolarHBondContact O-N 3.23Å; V300-A302 VanDerWaalsContact C-N 3.32Å; V300-A302 PolarHBondContact O-N 2.89Å; A302-S305 WeakPolarHBondContact O-CB 3.45Å; A302-S305 PolarHBondContact O-N 2.99Å; A302-C306 PolarHBondContact O-N 3.38Å; A302-C306 PolarHBondContact O-SG 2.95Å
303Q97.8Very high95.8Very high12 Ų1215.5 Ų15.56%0.0568%0.084CC..Hα-helixtrans-56.3-52.4175.1176.6-173.3-15.100111.7A279 A282 N299 V300 S305 C306 L307 A331 Y436A279-Q303 HydrophobicContact CB-CG 4.43Å; A282-Q303 HydrophobicContact CB-CB 3.78Å; N299-Q303 WeakPolarHBondContact O-CB 3.41Å; N299-Q303 PolarHBondContact O-N 3.45Å; V300-Q303 PolarHBondContact O-N 2.92Å; Q303-S305 VanDerWaalsContact C-N 3.32Å; Q303-S305 PolarHBondContact O-N 3.31Å; Q303-C306 WeakPolarHBondContact O-CB 3.47Å; Q303-C306 PolarHBondContact O-N 3.13Å; Q303-C306 VanDerWaalsContact O-N 3.16Å; Q303-L307 HydrophobicContact CG-CD1 3.88Å; Q303-L307 WeakPolarHBondContact O-CG 3.33Å; Q303-L307 PolarHBondContact O-N 3.32Å; Q303-A331 HydrophobicContact CB-CB 4.47Å; Q303-A331 HydrophobicContact CG-CB 4.26Å; Q303-Y436 PolarHBondContact NE2-OH 3.39Å; Q303-Y436 PolarHBondContact OE1-OH 2.91Å
304G98.2Very high95.8Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-59.5-41.9177.800000112.1V300 C306 L307 L308V300-G304 PolarHBondContact O-N 3.29Å; G304-C306 PolarHBondContact O-N 3.41Å; G304-L307 PolarHBondContact O-N 3.21Å; G304-L308 VanDerWaalsContact O-CB 3.27Å; G304-L308 WeakPolarHBondContact O-CB 3.41Å; G304-L308 PolarHBondContact O-N 2.97Å
305S97.1Very high95.8Very high16 Ų1619 Ų1911%0.11211%0.108CC..Hα-helixtrans-59.6-43.8174.7-59.80000111.9T301 A302 Q303 L309T301-S305 WeakPolarHBondContact O-CB 3.36Å; T301-S305 PolarHBondContact O-N 3.4Å; T301-S305 PolarHBondContact O-OG 3.19Å; A302-S305 WeakPolarHBondContact O-CB 3.45Å; A302-S305 PolarHBondContact O-N 2.99Å; Q303-S305 VanDerWaalsContact C-N 3.32Å; Q303-S305 PolarHBondContact O-N 3.31Å; S305-L309 WeakPolarHBondContact O-CB 3.41Å; S305-L309 WeakPolarHBondContact O-CD1 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.29Å; S305-L309 PolarHBondContact O-N 3.43Å
306C97.4Very high95.9Very high4 Ų415.4 Ų15.43%0.0279%0.094CC..Hα-helixtrans-65.7-41.6179.3-65.60000112.3V245 L275 A278 A279 A302 Q303 G304 Y310V245-C306 WeakPolarHBondContact CG2-SG 3.46Å; L275-C306 WeakPolarHBondContact O-CB 3.46Å; A278-C306 HydrophobicContact CB-CB 4.44Å; A279-C306 HydrophobicContact CB-CB 3.84Å; A302-C306 PolarHBondContact O-N 3.38Å; A302-C306 PolarHBondContact O-SG 2.95Å; Q303-C306 WeakPolarHBondContact O-CB 3.47Å; Q303-C306 PolarHBondContact O-N 3.13Å; Q303-C306 VanDerWaalsContact O-N 3.16Å; G304-C306 PolarHBondContact O-N 3.41Å; C306-Y310 WeakPolarHBondContact O-CB 3.5Å; C306-Y310 PolarHBondContact O-N 3.07Å
307L98Very high95.7Very high10 Ų1017.7 Ų17.75%0.05211%0.109CC..Hα-helixtrans-68.2-43178.3-67.4165.5000112L276 A279 Q303 G304 Y310 S311 F324 K327 A328L276-L307 HydrophobicContact CD2-CD2 4.42Å; A279-L307 HydrophobicContact CB-CD2 3.84Å; A279-L307 HydrophobicContact CB-CG 3.82Å; Q303-L307 HydrophobicContact CG-CD1 3.88Å; Q303-L307 WeakPolarHBondContact O-CG 3.33Å; Q303-L307 PolarHBondContact O-N 3.32Å; G304-L307 PolarHBondContact O-N 3.21Å; L307-Y310 PolarHBondContact O-N 2.85Å; L307-S311 PolarHBondContact O-N 2.87Å; L307-F324 HydrophobicContact CD2-CD1 3.96Å; L307-K327 HydrophobicContact CD1-CB 3.87Å; L307-A328 HydrophobicContact CB-CB 3.86Å
308L97.6Very high95.4Very high16 Ų1622.6 Ų22.68%0.08414%0.141CC..Hα-helixtrans-59.8-51175.4179.960.9000110.7G304 Y310 S311 F312 L325 A328 F332 V363G304-L308 VanDerWaalsContact O-CB 3.27Å; G304-L308 WeakPolarHBondContact O-CB 3.41Å; G304-L308 PolarHBondContact O-N 2.97Å; L308-Y310 PolarHBondContact O-N 3.01Å; L308-S311 WeakPolarHBondContact O-CB 3.45Å; L308-S311 PolarHBondContact O-N 3.38Å; L308-S311 PolarHBondContact O-OG 3.08Å; L308-F312 HydrophobicContact CD1-CE2 3.92Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å; L308-L325 HydrophobicContact CD1-CD2 3.48Å; L308-L325 VanDerWaalsContact CD1-CD2 3.48Å; L308-A328 HydrophobicContact CB-CB 4.19Å; L308-F332 HydrophobicContact CD2-CE2 4.43Å; L308-V363 HydrophobicContact CD2-CG1 4.24Å
309L95.1Very high95.3Very high40 Ų4026.8 Ų26.821%0.20917%0.171CC..Hα-helixtrans-59.4-44.8175.7-71.8163.6000112.1L275 S305 S311 F312 S313L275-L309 HydrophobicContact CD1-CB 3.85Å; S305-L309 WeakPolarHBondContact O-CB 3.41Å; S305-L309 WeakPolarHBondContact O-CD1 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.29Å; S305-L309 PolarHBondContact O-N 3.43Å; L309-S311 VanDerWaalsContact C-N 3.27Å; L309-S311 PolarHBondContact O-N 2.95Å; L309-F312 PolarHBondContact O-N 3.03Å; L309-S313 PolarHBondContact O-N 2.95Å
310Y96.2Very high95.2Very high15 Ų1530.4 Ų30.46%0.05919%0.187CC..Hα-helixtrans-60.8-37.9178.9-178.8-105.5000112H273 L275 L276 C306 L307 L308 F312 S313 A315 C316 F324H273-Y310 HydrophobicContact CB-CD2 4.5Å; H273-Y310 HydrophobicContact CB-CE2 3.87Å; H273-Y310 AromaticContact CD2-CE2 3.95Å; H273-Y310 AromaticContact CE1-CD2 3.71Å; H273-Y310 AromaticContact CG-CD2 3.94Å; H273-Y310 AromaticContact CG-CE2 3.6Å; H273-Y310 AromaticContact ND1-CD2 3.47Å; H273-Y310 WeakPolarHBondContact ND1-CD2 3.18Å; H273-Y310 AromaticContact ND1-CE2 3.66Å; L275-Y310 HydrophobicContact CB-CD2 4.42Å; L276-Y310 HydrophobicContact CD1-CD1 4.3Å; L276-Y310 HydrophobicContact CD1-CE1 3.75Å; L276-Y310 HydrophobicContact CD1-CE2 4.04Å; L276-Y310 HydrophobicContact CD2-CD1 3.57Å; L276-Y310 HydrophobicContact CD2-CD2 4.45Å; L276-Y310 HydrophobicContact CD2-CE1 3.83Å; L276-Y310 HydrophobicContact CD2-CG 3.89Å; L276-Y310 HydrophobicContact CG-CD1 3.99Å; L276-Y310 HydrophobicContact CG-CD2 4.09Å; L276-Y310 HydrophobicContact CG-CE1 3.96Å; L276-Y310 HydrophobicContact CG-CE2 4.06Å; L276-Y310 HydrophobicContact CG-CG 4.04Å; C306-Y310 WeakPolarHBondContact O-CB 3.5Å; C306-Y310 PolarHBondContact O-N 3.07Å; L307-Y310 PolarHBondContact O-N 2.85Å; L308-Y310 PolarHBondContact O-N 3.01Å; Y310-F312 PolarHBondContact O-N 2.95Å; Y310-F312 VanDerWaalsContact O-N 3.08Å; Y310-S313 WeakPolarHBondContact O-CB 3.32Å; Y310-S313 PolarHBondContact O-N 3.32Å; Y310-A315 HydrophobicContact CE2-CB 4.18Å; Y310-A315 PolarHBondContact OH-O 3.42Å; Y310-C316 HydrophobicContact CD1-CB 4.18Å; Y310-C316 HydrophobicContact CE1-CB 3.83Å; Y310-C316 WeakPolarHBondContact O-CB 3.25Å; Y310-F324 HydrophobicContact CD1-CD1 4.16Å; Y310-F324 AromaticContact CD1-CD2 4Å; Y310-F324 HydrophobicContact CD1-CD2 4Å; Y310-F324 HydrophobicContact CD1-CE1 4.25Å; Y310-F324 HydrophobicContact CD1-CE2 4.08Å; Y310-F324 HydrophobicContact CD1-CG 4.05Å; Y310-F324 HydrophobicContact CD1-CZ 4.22Å; Y310-F324 AromaticContact CE1-CD2 3.94Å; Y310-F324 HydrophobicContact CE1-CD2 3.94Å; Y310-F324 HydrophobicContact CE1-CE1 4.23Å; Y310-F324 AromaticContact CE1-CE2 3.6Å; Y310-F324 HydrophobicContact CE1-CE2 3.6Å; Y310-F324 HydrophobicContact CE1-CG 4.4Å; Y310-F324 AromaticContact CE1-CZ 3.77Å; Y310-F324 HydrophobicContact CE1-CZ 3.77Å
311S96.7Very high95.1Very high0 Ų033.2 Ų33.20%020%0.198CC..Hα-helixtrans-59.6-22.3-178.182.40000114.4L307 L308 L309 R321 L325L307-S311 PolarHBondContact O-N 2.87Å; L308-S311 WeakPolarHBondContact O-CB 3.45Å; L308-S311 PolarHBondContact O-N 3.38Å; L308-S311 PolarHBondContact O-OG 3.08Å; L309-S311 VanDerWaalsContact C-N 3.27Å; L309-S311 PolarHBondContact O-N 2.95Å; S311-R321 PolarHBondContact O-NE 3.33Å; S311-L325 WeakPolarHBondContact OG-CD2 3.24Å
312F94.8Very high95Very high10 Ų1036.7 Ų36.74%0.04422%0.219CC..Hα-helixtrans-97.6-20.1174.5-62.6-74.7000114.2L308 L309 Y310 L325 W367 L833 A834L308-F312 HydrophobicContact CD1-CE2 3.92Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å; L309-F312 PolarHBondContact O-N 3.03Å; Y310-F312 PolarHBondContact O-N 2.95Å; Y310-F312 VanDerWaalsContact O-N 3.08Å; F312-L325 HydrophobicContact CE2-CD2 4.44Å; F312-W367 AromaticContact CE1-CD2 3.77Å; F312-W367 HydrophobicContact CE1-CD2 3.77Å; F312-W367 AromaticContact CE1-CE2 3.95Å; F312-W367 AromaticContact CE1-CE3 3.85Å; F312-W367 HydrophobicContact CE1-CE3 3.85Å; F312-W367 HydrophobicContact CE1-CG 4.26Å; F312-W367 HydrophobicContact CE1-CH2 4.29Å; F312-W367 HydrophobicContact CE1-CZ2 4.23Å; F312-W367 HydrophobicContact CE1-CZ3 4.11Å; F312-W367 HydrophobicContact CZ-CB 4.12Å; F312-W367 AromaticContact CZ-CD1 3.7Å; F312-W367 AromaticContact CZ-CD2 3.53Å; F312-W367 HydrophobicContact CZ-CD2 3.53Å; F312-W367 AromaticContact CZ-CE2 3.74Å; F312-W367 HydrophobicContact CZ-CE3 4.06Å; F312-W367 AromaticContact CZ-CG 3.54Å; F312-W367 HydrophobicContact CZ-CG 3.54Å; F312-W367 HydrophobicContact CZ-CZ2 4.42Å; F312-W367 AromaticContact CZ-NE1 3.84Å; F312-L833 HydrophobicContact CB-CB 3.77Å; F312-L833 HydrophobicContact CD1-CB 4.02Å; F312-L833 HydrophobicContact CD1-CD1 3.85Å; F312-L833 HydrophobicContact CD2-CB 4.23Å; F312-L833 HydrophobicContact CD2-CD1 4.05Å; F312-L833 HydrophobicContact CE1-CD1 3.8Å; F312-L833 HydrophobicContact CE2-CD1 4.01Å; F312-L833 HydrophobicContact CG-CB 3.72Å; F312-L833 HydrophobicContact CG-CD1 3.99Å; F312-L833 HydrophobicContact CG-CG 4.48Å; F312-L833 HydrophobicContact CZ-CD1 3.9Å; F312-A834 WeakPolarHBondContact O-CA 3.13Å; F312-A834 WeakPolarHBondContact O-CB 3.48Å
313S92.4Very high95.1Very high25 Ų2538.9 Ų38.918%0.17523%0.23CC..SBendtrans-53.5141.7177.1176.70000111.8H273 L309 Y310 A315 C316H273-S313 PolarHBondContact NE2-OG 2.85Å; L309-S313 PolarHBondContact O-N 2.95Å; Y310-S313 WeakPolarHBondContact O-CB 3.32Å; Y310-S313 PolarHBondContact O-N 3.32Å; S313-A315 PolarHBondContact O-N 3.5Å; S313-A315 PolarHBondContact OG-N 3.25Å; S313-C316 WeakPolarHBondContact O-CB 3.18Å; S313-C316 PolarHBondContact O-N 2.89Å
314L90.9Very high95Very high66 Ų6639.3 Ų39.335%0.34623%0.232SC..THydrogen-bonded Turntrans-56.3-19.7171.2-71.7174.7000113.2L807 Y809 L812 Y813L314-L807 WeakPolarHBondContact CD1-O 3.08Å; L314-Y809 HydrophobicContact CD2-CD2 3.78Å; L314-L812 HydrophobicContact CD1-CD1 4.01Å; L314-L812 HydrophobicContact CD2-CD1 4.12Å; L314-Y813 HydrophobicContact CD2-CE2 4.12Å
315A91.1Very high95Very high50 Ų5039.4 Ų39.441%0.41323%0.233SC..THydrogen-bonded Turntrans-77.2-16.9174.600000114.2H273 Y310 S313 P317H273-A315 VanDerWaalsContact CD2-CB 3.47Å; H273-A315 WeakPolarHBondContact CD2-CB 3.48Å; Y310-A315 HydrophobicContact CE2-CB 4.18Å; Y310-A315 PolarHBondContact OH-O 3.42Å; S313-A315 PolarHBondContact O-N 3.5Å; S313-A315 PolarHBondContact OG-N 3.25Å; A315-P317 WeakPolarHBondContact O-CD 3.46Å
316C93.8Very high95.1Very high6 Ų643.7 Ų43.74%0.04125%0.251CS..SBendtrans-81.5122.5-179.1-174.40000111.5Y310 S313Y310-C316 HydrophobicContact CD1-CB 4.18Å; Y310-C316 HydrophobicContact CE1-CB 3.83Å; Y310-C316 WeakPolarHBondContact O-CB 3.25Å; S313-C316 WeakPolarHBondContact O-CB 3.18Å; S313-C316 PolarHBondContact O-N 2.89Å
317P93.1Very high95Very high47 Ų4748.2 Ų48.231%0.30527%0.27SS..  trans-59.8129.8173.5-22.734.1000110.6A315 S319 Q320 R321A315-P317 WeakPolarHBondContact O-CD 3.46Å; P317-S319 PolarHBondContact O-N 3.49Å; P317-S319 VanDerWaalsContact O-N 3.08Å; P317-Q320 HydrophobicContact CB-CB 4.41Å; P317-Q320 HydrophobicContact CB-CG 4.21Å; P317-Q320 HydrophobicContact CG-CG 4.47Å; P317-Q320 PolarHBondContact O-N 2.91Å; P317-R321 PolarHBondContact O-N 3.2Å
318P89.6Confident95.1Very high104 Ų10447.8 Ų47.868%0.67527%0.268SS*.G310 helixtrans-55.1-33-178.6-29.435.9000113.9Q320 R321P318-Q320 PolarHBondContact O-N 2.82Å; P318-R321 PolarHBondContact O-N 3.34Å
319S93.3Very high95.1Very high106 Ų10650.2 Ų50.274%0.74128%0.276SS*.G310 helixtrans-68.1-16.1175.952.10000114.9P317P317-S319 PolarHBondContact O-N 3.49Å; P317-S319 VanDerWaalsContact O-N 3.08Å
320Q94.6Very high95.1Very high89 Ų8951.9 Ų51.942%0.41628%0.282SS..G310 helixtrans-106.3-9.7179.1-61.9-177.23.100113.2P317 P318 V322 T323 F324P317-Q320 HydrophobicContact CB-CB 4.41Å; P317-Q320 HydrophobicContact CB-CG 4.21Å; P317-Q320 HydrophobicContact CG-CG 4.47Å; P317-Q320 PolarHBondContact O-N 2.91Å; P318-Q320 PolarHBondContact O-N 2.82Å; Q320-V322 VanDerWaalsContact C-N 3.33Å; Q320-V322 PolarHBondContact O-N 3.47Å; Q320-T323 WeakPolarHBondContact O-CA 3.34Å; Q320-T323 WeakPolarHBondContact O-CB 3.42Å; Q320-T323 PolarHBondContact O-N 2.94Å; Q320-F324 HydrophobicContact CB-CD2 3.94Å; Q320-F324 HydrophobicContact CB-CE2 3.62Å; Q320-F324 WeakPolarHBondContact O-CD2 3.34Å; Q320-F324 PolarHBondContact O-N 3.36Å
321R94.8Very high95.2Very high60 Ų6051.1 Ų51.123%0.22628%0.28CS..Hα-helixtrans-50.5-50.5-178.2176.1174.7-67.6147.42.9112.4S311 P317 P318 T323 F324 L325S311-R321 PolarHBondContact O-NE 3.33Å; P317-R321 PolarHBondContact O-N 3.2Å; P318-R321 PolarHBondContact O-N 3.34Å; R321-T323 VanDerWaalsContact C-N 3.3Å; R321-T323 PolarHBondContact O-N 2.88Å; R321-F324 PolarHBondContact O-N 3.02Å; R321-F324 VanDerWaalsContact O-N 3.15Å; R321-L325 HydrophobicContact CG-CD1 3.93Å; R321-L325 HydrophobicContact CG-CG 4.48Å; R321-L325 WeakPolarHBondContact O-CG 3.43Å; R321-L325 PolarHBondContact O-N 3.3Å
322V96.9Very high95.3Very high77 Ų7751.1 Ų51.147%0.46728%0.28SS..Hα-helixtrans-59.9-39.9179.3179.40000111.3Q320 F324 L325 Q326 L368Q320-V322 VanDerWaalsContact C-N 3.33Å; Q320-V322 PolarHBondContact O-N 3.47Å; V322-F324 PolarHBondContact O-N 3.16Å; V322-L325 PolarHBondContact O-N 3.01Å; V322-Q326 HydrophobicContact CG1-CG 4.41Å; V322-Q326 WeakPolarHBondContact O-CB 3.29Å; V322-Q326 VanDerWaalsContact O-CG 3.24Å; V322-Q326 WeakPolarHBondContact O-CG 3.33Å; V322-Q326 PolarHBondContact O-N 3.26Å; V322-L368 HydrophobicContact CG1-CD2 3.96Å
323T97Very high95.4Very high63 Ų6351.5 Ų51.539%0.38728%0.283SS..Hα-helixtrans-66.3-36.7176.9-47.60000112.6Q320 R321 K327Q320-T323 WeakPolarHBondContact O-CA 3.34Å; Q320-T323 WeakPolarHBondContact O-CB 3.42Å; Q320-T323 PolarHBondContact O-N 2.94Å; R321-T323 VanDerWaalsContact C-N 3.3Å; R321-T323 PolarHBondContact O-N 2.88Å; T323-K327 WeakPolarHBondContact O-CG 3.26Å; T323-K327 PolarHBondContact O-N 2.87Å; T323-K327 VanDerWaalsContact O-N 3.12Å
324F97.6Very high95.6Very high22 Ų2250.5 Ų50.510%0.09628%0.275CS..Hα-helixtrans-72.5-37.7174.8-71-66.6000112.3L276 L307 Y310 Q320 R321 V322 K327 A328L276-F324 HydrophobicContact CD2-CD1 4.11Å; L276-F324 HydrophobicContact CD2-CE1 3.56Å; L276-F324 HydrophobicContact CD2-CZ 4.15Å; L307-F324 HydrophobicContact CD2-CD1 3.96Å; Y310-F324 HydrophobicContact CD1-CD1 4.16Å; Y310-F324 AromaticContact CD1-CD2 4Å; Y310-F324 HydrophobicContact CD1-CD2 4Å; Y310-F324 HydrophobicContact CD1-CE1 4.25Å; Y310-F324 HydrophobicContact CD1-CE2 4.08Å; Y310-F324 HydrophobicContact CD1-CG 4.05Å; Y310-F324 HydrophobicContact CD1-CZ 4.22Å; Y310-F324 AromaticContact CE1-CD2 3.94Å; Y310-F324 HydrophobicContact CE1-CD2 3.94Å; Y310-F324 HydrophobicContact CE1-CE1 4.23Å; Y310-F324 AromaticContact CE1-CE2 3.6Å; Y310-F324 HydrophobicContact CE1-CE2 3.6Å; Y310-F324 HydrophobicContact CE1-CG 4.4Å; Y310-F324 AromaticContact CE1-CZ 3.77Å; Y310-F324 HydrophobicContact CE1-CZ 3.77Å; Q320-F324 HydrophobicContact CB-CD2 3.94Å; Q320-F324 HydrophobicContact CB-CE2 3.62Å; Q320-F324 WeakPolarHBondContact O-CD2 3.34Å; Q320-F324 PolarHBondContact O-N 3.36Å; R321-F324 PolarHBondContact O-N 3.02Å; R321-F324 VanDerWaalsContact O-N 3.15Å; V322-F324 PolarHBondContact O-N 3.16Å; F324-K327 PolarHBondContact O-N 3.35Å; F324-A328 PolarHBondContact O-N 3.2Å
325L98.1Very high95.9Very high2 Ų247.3 Ų47.31%0.0126%0.259CS..Hα-helixtrans-62.6-44171.6-71168.7000111.7L308 S311 F312 R321 V322 K327 A328 R329 T364 W367 L368L308-L325 HydrophobicContact CD1-CD2 3.48Å; L308-L325 VanDerWaalsContact CD1-CD2 3.48Å; S311-L325 WeakPolarHBondContact OG-CD2 3.24Å; F312-L325 HydrophobicContact CE2-CD2 4.44Å; R321-L325 HydrophobicContact CG-CD1 3.93Å; R321-L325 HydrophobicContact CG-CG 4.48Å; R321-L325 WeakPolarHBondContact O-CG 3.43Å; R321-L325 PolarHBondContact O-N 3.3Å; V322-L325 PolarHBondContact O-N 3.01Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.83Å; L325-A328 WeakPolarHBondContact O-CB 3.41Å; L325-A328 PolarHBondContact O-N 3.48Å; L325-A328 VanDerWaalsContact O-N 3.13Å; L325-R329 PolarHBondContact O-N 3.26Å; L325-T364 HydrophobicContact CB-CG2 4.26Å; L325-T364 HydrophobicContact CD2-CG2 4.21Å; L325-T364 WeakPolarHBondContact O-CG2 3.46Å; L325-W367 HydrophobicContact CD1-CB 4Å; L325-W367 WeakPolarHBondContact CD1-O 3.29Å; L325-W367 HydrophobicContact CD2-CB 4.23Å; L325-L368 HydrophobicContact CB-CD1 4.35Å; L325-L368 HydrophobicContact CB-CD2 3.67Å; L325-L368 HydrophobicContact CB-CG 3.99Å; L325-L368 HydrophobicContact CD1-CD2 4.24Å
326Q97.6Very high96.1Very high106 Ų10645 Ų4550%0.49524%0.239SC..Hα-helixtrans-59.8-41174.8-75.3167.5-19.300112.4V322 R329 E330 L368V322-Q326 HydrophobicContact CG1-CG 4.41Å; V322-Q326 WeakPolarHBondContact O-CB 3.29Å; V322-Q326 VanDerWaalsContact O-CG 3.24Å; V322-Q326 WeakPolarHBondContact O-CG 3.33Å; V322-Q326 PolarHBondContact O-N 3.26Å; Q326-R329 WeakPolarHBondContact O-CB 3.33Å; Q326-R329 PolarHBondContact O-N 3.15Å; Q326-E330 PolarHBondContact O-N 3.15Å; Q326-L368 HydrophobicContact CG-CD2 4.17Å
327K97Very high96.2Very high99 Ų9946.7 Ų46.743%0.4325%0.248SC..Hα-helixtrans-69.3-33.3173.8-70.8176.5177-175.50113L307 T323 F324 L325 A331L307-K327 HydrophobicContact CD1-CB 3.87Å; T323-K327 WeakPolarHBondContact O-CG 3.26Å; T323-K327 PolarHBondContact O-N 2.87Å; T323-K327 VanDerWaalsContact O-N 3.12Å; F324-K327 PolarHBondContact O-N 3.35Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.83Å; K327-A331 PolarHBondContact O-N 3Å; K327-A331 VanDerWaalsContact O-N 3.12Å
328A98.3Very high96.3Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-64.7-44172.200000110.6L307 L308 F324 L325 A331 F332 T364L307-A328 HydrophobicContact CB-CB 3.86Å; L308-A328 HydrophobicContact CB-CB 4.19Å; F324-A328 PolarHBondContact O-N 3.2Å; L325-A328 WeakPolarHBondContact O-CB 3.41Å; L325-A328 PolarHBondContact O-N 3.48Å; L325-A328 VanDerWaalsContact O-N 3.13Å; A328-A331 PolarHBondContact O-N 3.09Å; A328-F332 HydrophobicContact CB-CE2 4.15Å; A328-F332 WeakPolarHBondContact O-CD2 3.41Å; A328-F332 WeakPolarHBondContact O-CG 3.27Å; A328-F332 PolarHBondContact O-N 3.34Å; A328-T364 HydrophobicContact CB-CG2 4.27Å
329R97.6Very high96.3Very high67 Ų6740.8 Ų40.825%0.25321%0.207SC..Hα-helixtrans-57.5-51.1174-164.2-168.8-160.6-91.3-3.5111.3L325 Q326 A331 F332 T333 M361 T364 D365 L368 L418L325-R329 PolarHBondContact O-N 3.26Å; Q326-R329 WeakPolarHBondContact O-CB 3.33Å; Q326-R329 PolarHBondContact O-N 3.15Å; R329-A331 VanDerWaalsContact C-N 3.31Å; R329-A331 PolarHBondContact O-N 3.09Å; R329-F332 PolarHBondContact O-N 3.12Å; R329-T333 WeakPolarHBondContact O-CB 3.45Å; R329-T333 PolarHBondContact O-N 2.81Å; R329-T333 PolarHBondContact O-OG1 3.17Å; R329-M361 HydrophobicContact CG-CG 4.22Å; R329-T364 HydrophobicContact CB-CG2 3.97Å; R329-D365 WeakPolarHBondContact CD-OD1 3.49Å; R329-D365 IonicContact CZ-OD1 3.71Å; R329-D365 IonicContact CZ-OD2 2.59Å; R329-D365 IonicContact NE-OD1 2.78Å; R329-D365 PolarHBondContact NE-OD1 2.88Å; R329-D365 IonicContact NE-OD2 2.72Å; R329-D365 PolarHBondContact NE-OD2 2.99Å; R329-D365 IonicContact NH2-OD1 3.77Å; R329-D365 IonicContact NH2-OD2 2.75Å; R329-D365 PolarHBondContact NH2-OD2 3.17Å; R329-L368 HydrophobicContact CB-CD1 4.4Å; R329-L418 PolarHBondContact NH2-O 3.07Å
330E96.8Very high95.9Very high75 Ų7538.5 Ų38.535%0.3519%0.194SC..Hα-helixtrans-52.1-49175.7-175.2-172.2-174.700111.1Q326 F332 T333 I334 S435Q326-E330 PolarHBondContact O-N 3.15Å; E330-F332 PolarHBondContact O-N 3.24Å; E330-T333 WeakPolarHBondContact O-CB 3.46Å; E330-T333 PolarHBondContact O-N 2.96Å; E330-I334 HydrophobicContact CG-CD1 4.02Å; E330-I334 WeakPolarHBondContact O-CD1 3.43Å; E330-I334 VanDerWaalsContact O-CG1 3.25Å; E330-I334 WeakPolarHBondContact O-CG1 3.4Å; E330-I334 PolarHBondContact O-N 3.05Å; E330-S435 PolarHBondContact OE1-OG 3.44Å
331A97.8Very high95.3Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-61.2-44.8178.900000112.7V300 Q303 K327 A328 R329 I334 G335V300-A331 HydrophobicContact CB-CB 4.36Å; V300-A331 WeakPolarHBondContact CB-O 3.48Å; V300-A331 VanDerWaalsContact CG2-O 3.27Å; V300-A331 WeakPolarHBondContact CG2-O 3.44Å; Q303-A331 HydrophobicContact CB-CB 4.47Å; Q303-A331 HydrophobicContact CG-CB 4.26Å; K327-A331 PolarHBondContact O-N 3Å; K327-A331 VanDerWaalsContact O-N 3.12Å; A328-A331 PolarHBondContact O-N 3.09Å; R329-A331 VanDerWaalsContact C-N 3.31Å; R329-A331 PolarHBondContact O-N 3.09Å; A331-I334 PolarHBondContact O-N 3.18Å; A331-G335 PolarHBondContact O-N 2.96Å
332F98.1Very high94.5Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-67.7-38175.8-59.9-53.1000112.7T301 L308 A328 R329 E330 I334 G335 L336 A357 S360 M361 T364T301-F332 HydrophobicContact CG2-CE1 4.22Å; L308-F332 HydrophobicContact CD2-CE2 4.43Å; A328-F332 HydrophobicContact CB-CE2 4.15Å; A328-F332 WeakPolarHBondContact O-CD2 3.41Å; A328-F332 WeakPolarHBondContact O-CG 3.27Å; A328-F332 PolarHBondContact O-N 3.34Å; R329-F332 PolarHBondContact O-N 3.12Å; E330-F332 PolarHBondContact O-N 3.24Å; F332-I334 VanDerWaalsContact C-N 3.35Å; F332-I334 PolarHBondContact O-N 2.66Å; F332-G335 WeakPolarHBondContact O-CA 3.41Å; F332-G335 PolarHBondContact O-N 3.14Å; F332-G335 VanDerWaalsContact O-N 3.14Å; F332-L336 WeakPolarHBondContact O-CG 3.47Å; F332-L336 PolarHBondContact O-N 3.47Å; F332-A357 HydrophobicContact CD1-CB 4.34Å; F332-S360 VanDerWaalsContact CE1-CB 3.45Å; F332-M361 HydrophobicContact CB-CB 3.78Å; F332-M361 HydrophobicContact CB-CG 3.99Å; F332-M361 HydrophobicContact CB-SD 4.21Å; F332-M361 HydrophobicContact CD2-CB 4.25Å; F332-M361 HydrophobicContact CG-CB 4.28Å; F332-T364 WeakPolarHBondContact CE2-OG1 3.04Å
333T97.3Very high93.8Very high18 Ų1839.6 Ų39.611%0.1122%0.218CC..Hα-helixtrans-57.1-46.9173.7-59.10000110.6R329 E330 G335 L336 L337 V420R329-T333 WeakPolarHBondContact O-CB 3.45Å; R329-T333 PolarHBondContact O-N 2.81Å; R329-T333 PolarHBondContact O-OG1 3.17Å; E330-T333 WeakPolarHBondContact O-CB 3.46Å; E330-T333 PolarHBondContact O-N 2.96Å; T333-G335 VanDerWaalsContact C-N 3.32Å; T333-G335 PolarHBondContact O-N 2.99Å; T333-L336 PolarHBondContact O-N 2.94Å; T333-L337 HydrophobicContact CG2-CD1 3.97Å; T333-L337 WeakPolarHBondContact O-CG 3.5Å; T333-L337 PolarHBondContact O-N 2.92Å; T333-L337 VanDerWaalsContact O-N 3.07Å; T333-V420 HydrophobicContact CG2-CG1 4.09Å
334I96.8Very high93Very high3 Ų338.6 Ų38.62%0.01521%0.212CC..Hα-helixtrans-60.4-43.5175.2-62.3158.3000110.8V296 V300 E330 A331 F332 L336 L337 T338 F423 P433 Y436V296-I334 HydrophobicContact CG1-CG2 4.3Å; V300-I334 HydrophobicContact CG1-CB 4.3Å; V300-I334 HydrophobicContact CG1-CG2 3.96Å; E330-I334 HydrophobicContact CG-CD1 4.02Å; E330-I334 WeakPolarHBondContact O-CD1 3.43Å; E330-I334 VanDerWaalsContact O-CG1 3.25Å; E330-I334 WeakPolarHBondContact O-CG1 3.4Å; E330-I334 PolarHBondContact O-N 3.05Å; A331-I334 PolarHBondContact O-N 3.18Å; F332-I334 VanDerWaalsContact C-N 3.35Å; F332-I334 PolarHBondContact O-N 2.66Å; I334-L336 PolarHBondContact O-N 3.29Å; I334-L337 PolarHBondContact O-N 2.91Å; I334-L337 VanDerWaalsContact O-N 3.14Å; I334-T338 PolarHBondContact O-N 2.66Å; I334-F423 HydrophobicContact CB-CE1 4.23Å; I334-F423 HydrophobicContact CG1-CD1 4.09Å; I334-F423 HydrophobicContact CG1-CE1 3.97Å; I334-F423 HydrophobicContact CG2-CE1 4.07Å; I334-F423 HydrophobicContact CG2-CZ 4.42Å; I334-P433 HydrophobicContact CD1-CG 3.61Å; I334-P433 HydrophobicContact CG1-CG 4.03Å; I334-Y436 HydrophobicContact CD1-CD2 4.08Å; I334-Y436 HydrophobicContact CD1-CE1 4.17Å; I334-Y436 HydrophobicContact CD1-CE2 3.36Å; I334-Y436 WeakPolarHBondContact CD1-OH 3.3Å
335G96.6Very high92.4Very high0 Ų037.5 Ų37.50%021%0.208CC..Hα-helixtrans-56.3-50.7176.600000112.4L297 A331 F332 T333 L337 T338 F354L297-G335 WeakPolarHBondContact CD1-O 3.45Å; A331-G335 PolarHBondContact O-N 2.96Å; F332-G335 WeakPolarHBondContact O-CA 3.41Å; F332-G335 PolarHBondContact O-N 3.14Å; F332-G335 VanDerWaalsContact O-N 3.14Å; T333-G335 VanDerWaalsContact C-N 3.32Å; T333-G335 PolarHBondContact O-N 2.99Å; G335-L337 PolarHBondContact O-N 3.4Å; G335-T338 WeakPolarHBondContact O-CB 3.49Å; G335-T338 WeakPolarHBondContact O-CG2 3.32Å; G335-T338 PolarHBondContact O-N 3.24Å; G335-T338 VanDerWaalsContact O-N 3.15Å; G335-T338 PolarHBondContact O-OG1 3.3Å; G335-F354 WeakPolarHBondContact O-CE1 3.47Å
336L96.4Very high91.5Very high0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-62.5-29.8177.8-64.1-178.8000113F332 T333 I334 T338 F354 A357 A358 M361 V411 K415 V420F332-L336 WeakPolarHBondContact O-CG 3.47Å; F332-L336 PolarHBondContact O-N 3.47Å; T333-L336 PolarHBondContact O-N 2.94Å; I334-L336 PolarHBondContact O-N 3.29Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-F354 HydrophobicContact CD2-CD1 4.09Å; L336-A357 HydrophobicContact CD2-CB 4.02Å; L336-A357 HydrophobicContact CG-CB 4.47Å; L336-A358 HydrophobicContact CD2-CB 3.99Å; L336-M361 HydrophobicContact CD1-CE 3.44Å; L336-M361 VanDerWaalsContact CD1-CE 3.44Å; L336-M361 HydrophobicContact CD1-SD 3.77Å; L336-V411 HydrophobicContact CD2-CG1 4.31Å; L336-K415 HydrophobicContact CB-CG 4.47Å; L336-K415 WeakPolarHBondContact O-CE 3.23Å; L336-K415 PolarHBondContact O-NZ 2.88Å; L336-V420 HydrophobicContact CB-CG1 4.36Å; L336-V420 HydrophobicContact CD1-CG2 4.04Å
337L95.8Very high90.9Very high42 Ų4233.7 Ų33.722%0.2219%0.192CC..Hα-helixtrans-81.2-3.7177.9-70.9167.7000114.5T333 I334 G335 K339 V420 E421 F423T333-L337 HydrophobicContact CG2-CD1 3.97Å; T333-L337 WeakPolarHBondContact O-CG 3.5Å; T333-L337 PolarHBondContact O-N 2.92Å; T333-L337 VanDerWaalsContact O-N 3.07Å; I334-L337 PolarHBondContact O-N 2.91Å; I334-L337 VanDerWaalsContact O-N 3.14Å; G335-L337 PolarHBondContact O-N 3.4Å; L337-K339 PolarHBondContact O-N 2.9Å; L337-K339 VanDerWaalsContact O-N 3.15Å; L337-V420 HydrophobicContact CD1-CG1 4.31Å; L337-V420 HydrophobicContact CD2-CG1 3.93Å; L337-V420 HydrophobicContact CG-CG1 3.84Å; L337-E421 WeakPolarHBondContact CD1-O 3.41Å; L337-F423 HydrophobicContact CB-CE1 3.91Å; L337-F423 HydrophobicContact CD1-CD1 3.45Å; L337-F423 VanDerWaalsContact CD1-CD1 3.45Å; L337-F423 HydrophobicContact CD1-CE1 3.64Å; L337-F423 HydrophobicContact CG-CE1 4.45Å
338T93.8Very high90.5Very high2 Ų231.4 Ų31.41%0.01218%0.182CC..THydrogen-bonded Turntrans-66.4-11.2175.458.80000114.3V296 L297 I334 G335 L336 F354 F431V296-T338 HydrophobicContact CB-CG2 4.1Å; V296-T338 HydrophobicContact CG1-CG2 3.68Å; L297-T338 HydrophobicContact CB-CG2 4.14Å; I334-T338 PolarHBondContact O-N 2.66Å; G335-T338 WeakPolarHBondContact O-CB 3.49Å; G335-T338 WeakPolarHBondContact O-CG2 3.32Å; G335-T338 PolarHBondContact O-N 3.24Å; G335-T338 VanDerWaalsContact O-N 3.15Å; G335-T338 PolarHBondContact O-OG1 3.3Å; L336-T338 VanDerWaalsContact C-N 3.34Å; T338-F354 VanDerWaalsContact OG1-CZ 3.31Å; T338-F354 WeakPolarHBondContact OG1-CZ 3.2Å; T338-F431 HydrophobicContact CG2-CB 4.27Å; T338-F431 WeakPolarHBondContact O-CE1 3.43Å
339K90.9Very high90Very high26 Ų2631.6 Ų31.611%0.11318%0.183CC..SBendtrans-134.6136.1171.7-75.6-71.1-179.7171.80111.2L337 E343 V345 E350 F354 K415L337-K339 PolarHBondContact O-N 2.9Å; L337-K339 VanDerWaalsContact O-N 3.15Å; K339-E343 HydrophobicContact CD-CB 3.91Å; K339-E343 VanDerWaalsContact CD-CD 3.47Å; K339-E343 HydrophobicContact CD-CG 4.35Å; K339-E343 WeakPolarHBondContact CD-OE2 3.17Å; K339-E343 IonicContact NZ-OE2 2.67Å; K339-E343 PolarHBondContact NZ-OE2 3.13Å; K339-V345 HydrophobicContact CD-CG2 4.36Å; K339-V345 HydrophobicContact CG-CG2 4.19Å; K339-E350 WeakPolarHBondContact CE-OE1 3.43Å; K339-F354 HydrophobicContact CB-CE1 4.4Å; K339-F354 HydrophobicContact CB-CE2 4.16Å; K339-F354 HydrophobicContact CB-CZ 3.59Å; K339-F354 HydrophobicContact CG-CE2 3.69Å; K339-F354 HydrophobicContact CG-CZ 3.46Å; K339-F354 VanDerWaalsContact CG-CZ 3.46Å; K339-K415 PolarHBondContact O-NZ 2.84Å
340A84.9Confident89.6Confident57 Ų5728.8 Ų28.847%0.47117%0.173SC..  trans-69.7163.5171.200000111.7E343A340-E343 HydrophobicContact CB-CG 4.27Å; A340-E343 WeakPolarHBondContact CB-OE1 3.4Å; A340-E343 PolarHBondContact N-OE1 2.9Å; A340-E343 PolarHBondContact O-N 2.95Å
341E81.1Confident89.5Confident110 Ų11025.2 Ų25.251%0.51416%0.156SC..THydrogen-bonded Turntrans-66.2134.5170.8-63.4-167.4160.200110.1A412 Q416E341-A412 HydrophobicContact CG-CB 4.18Å; E341-Q416 PolarHBondContact OE1-NE2 3.27Å
342G77.1Confident89.3Confident79 Ų7925.3 Ų25.381%0.81416%0.157SC*.THydrogen-bonded Turntrans85.3-6.7-178.200000116.1
343E83.1Confident89.2Confident60 Ų6025.4 Ų25.428%0.2816%0.157SC..  trans-67.5133.8171.4-83.9-171-102.900111.7K339 A340K339-E343 HydrophobicContact CD-CB 3.91Å; K339-E343 VanDerWaalsContact CD-CD 3.47Å; K339-E343 HydrophobicContact CD-CG 4.35Å; K339-E343 WeakPolarHBondContact CD-OE2 3.17Å; K339-E343 IonicContact NZ-OE2 2.67Å; K339-E343 PolarHBondContact NZ-OE2 3.13Å; A340-E343 HydrophobicContact CB-CG 4.27Å; A340-E343 WeakPolarHBondContact CB-OE1 3.4Å; A340-E343 PolarHBondContact N-OE1 2.9Å; A340-E343 PolarHBondContact O-N 2.95Å
344P80.1Confident89.1Confident42 Ų4224.6 Ų24.627%0.27315%0.152SC..  trans-73.3140176.929.6-34.1000111.8W668P344-W668 HydrophobicContact CG-CD2 4.24Å; P344-W668 HydrophobicContact CG-CE3 4.4Å; P344-W668 HydrophobicContact CG-CH2 4.18Å; P344-W668 HydrophobicContact CG-CZ2 3.99Å; P344-W668 HydrophobicContact CG-CZ3 4.38Å
345V85.3Confident89.1Confident0 Ų024.5 Ų24.50%015%0.152CC..  trans-133.195.8178.9-175.60000109.5K339 S347 E350 L351 F354 S404 M408K339-V345 HydrophobicContact CD-CG2 4.36Å; K339-V345 HydrophobicContact CG-CG2 4.19Å; V345-S347 VanDerWaalsContact C-N 3.33Å; V345-E350 HydrophobicContact CG1-CB 3.68Å; V345-E350 HydrophobicContact CG1-CG 3.67Å; V345-L351 HydrophobicContact CB-CD2 3.92Å; V345-L351 HydrophobicContact CB-CG 4.41Å; V345-L351 HydrophobicContact CG1-CD2 3.85Å; V345-L351 HydrophobicContact CG1-CG 3.89Å; V345-F354 HydrophobicContact CG2-CE2 4.39Å; V345-S404 PolarHBondContact O-OG 3.46Å; V345-M408 HydrophobicContact CB-CG 4.34Å; V345-M408 HydrophobicContact CB-SD 4.15Å; V345-M408 HydrophobicContact CG2-CE 3.79Å; V345-M408 HydrophobicContact CG2-CG 4.28Å; V345-M408 HydrophobicContact CG2-SD 3.88Å
346T79.8Confident89.1Confident28 Ų2826.4 Ų26.417%0.17216%0.16CC..  trans-97.722.8-179.359.20000113.5Y392 Q665 S666T346-Y392 VanDerWaalsContact C-OH 3.23Å; T346-Y392 WeakPolarHBondContact CA-OH 3.41Å; T346-Y392 PolarHBondContact O-OH 3.4Å; T346-Y392 VanDerWaalsContact O-OH 3.07Å; T346-Q665 CarbonylContact C-O 3.5Å; T346-Q665 PolarHBondContact OG1-O 3.15Å; T346-S666 WeakPolarHBondContact OG1-CA 3.44Å
347S84.1Confident89.2Confident0 Ų026.4 Ų26.40%016%0.16CC..  trans-106.6114-176.6171.50000109.4V345 Q349 E350 L351 S664 Q665V345-S347 VanDerWaalsContact C-N 3.33Å; S347-Q349 PolarHBondContact O-N 3.07Å; S347-E350 PolarHBondContact O-N 3.03Å; S347-E350 VanDerWaalsContact O-N 3.15Å; S347-E350 WeakPolarHBondContact OG-CB 3.48Å; S347-E350 PolarHBondContact OG-N 3.31Å; S347-E350 VanDerWaalsContact OG-N 3.16Å; S347-L351 WeakPolarHBondContact O-CB 3.4Å; S347-L351 WeakPolarHBondContact O-CG 3.4Å; S347-L351 PolarHBondContact O-N 2.66Å; S347-S664 WeakPolarHBondContact CA-OG 3.48Å; S347-S664 VanDerWaalsContact CB-C 3.48Å; S347-S664 VanDerWaalsContact CB-O 3.29Å; S347-S664 WeakPolarHBondContact CB-O 3.49Å; S347-S664 WeakPolarHBondContact CB-OG 3.48Å; S347-S664 PolarHBondContact OG-O 2.96Å; S347-S664 VanDerWaalsContact OG-O 3.06Å; S347-S664 PolarHBondContact OG-OG 3.16Å; S347-Q665 WeakPolarHBondContact CA-O 3.32Å; S347-Q665 WeakPolarHBondContact CB-O 3.27Å; S347-Q665 PolarHBondContact N-O 3.11Å
348Q87.8Confident89.2Confident50 Ų5024.4 Ų24.423%0.23415%0.15CC..Hα-helixtrans-53.8-42174-71.7175.5-46.100111.7H352 F389 Y392 S664 L909Q348-H352 WeakPolarHBondContact O-CB 3.43Å; Q348-H352 PolarHBondContact O-N 3.37Å; Q348-F389 HydrophobicContact CB-CE2 4.46Å; Q348-F389 HydrophobicContact CB-CZ 4.41Å; Q348-F389 WeakPolarHBondContact O-CE2 3.15Å; Q348-F389 WeakPolarHBondContact O-CZ 3.21Å; Q348-Y392 HydrophobicContact CG-CD1 4.07Å; Q348-Y392 HydrophobicContact CG-CE1 3.66Å; Q348-S664 PolarHBondContact N-OG 3.49Å; Q348-L909 HydrophobicContact CB-CD1 3.78Å; Q348-L909 HydrophobicContact CB-CD2 4.33Å
349Q87.8Confident89.4Confident4 Ų424.7 Ų24.72%0.01915%0.151CC..Hα-helixtrans-64.8-43.5177.3175.7172.7-19.600112.2L294 S347 T353 S661 F662 S664 L909L294-Q349 HydrophobicContact CD1-CG 4.18Å; S347-Q349 PolarHBondContact O-N 3.07Å; Q349-T353 VanDerWaalsContact O-CB 3.29Å; Q349-T353 WeakPolarHBondContact O-CB 3.24Å; Q349-T353 PolarHBondContact O-N 3.31Å; Q349-T353 PolarHBondContact O-OG1 3.5Å; Q349-S661 VanDerWaalsContact CD-OG 3.28Å; Q349-S661 WeakPolarHBondContact CG-OG 3.35Å; Q349-S661 PolarHBondContact OE1-OG 2.99Å; Q349-F662 VanDerWaalsContact OE1-CA 3.22Å; Q349-S664 WeakPolarHBondContact CB-OG 3.41Å; Q349-S664 PolarHBondContact N-OG 3.29Å; Q349-L909 HydrophobicContact CB-CD1 4.18Å
350E91.3Very high89.8Confident8 Ų823.5 Ų23.54%0.03715%0.146CC..Hα-helixtrans-69.5-47.5-178.3-164.3172.4-17900110.4L294 L297 K339 V345 S347 H352 T353 F354L294-E350 HydrophobicContact CD1-CB 3.82Å; L294-E350 HydrophobicContact CD1-CG 4.01Å; L297-E350 HydrophobicContact CD2-CG 3.84Å; K339-E350 WeakPolarHBondContact CE-OE1 3.43Å; V345-E350 HydrophobicContact CG1-CB 3.68Å; V345-E350 HydrophobicContact CG1-CG 3.67Å; S347-E350 PolarHBondContact O-N 3.03Å; S347-E350 VanDerWaalsContact O-N 3.15Å; S347-E350 WeakPolarHBondContact OG-CB 3.48Å; S347-E350 PolarHBondContact OG-N 3.31Å; S347-E350 VanDerWaalsContact OG-N 3.16Å; E350-H352 PolarHBondContact O-N 2.98Å; E350-T353 PolarHBondContact O-N 3.41Å; E350-T353 VanDerWaalsContact O-N 3.15Å; E350-F354 HydrophobicContact CG-CD2 3.99Å; E350-F354 HydrophobicContact CG-CE2 3.66Å; E350-F354 VanDerWaalsContact O-CD2 3.3Å; E350-F354 WeakPolarHBondContact O-CD2 3.49Å; E350-F354 PolarHBondContact O-N 2.98Å
351L93.6Very high90.4Very high0 Ų020.8 Ų20.80%012%0.124CC..Hα-helixtrans-56-51.6173.3-69.8173000111.9V345 S347 T353 F354 L355 F389 Y392 I407 M408V345-L351 HydrophobicContact CB-CD2 3.92Å; V345-L351 HydrophobicContact CB-CG 4.41Å; V345-L351 HydrophobicContact CG1-CD2 3.85Å; V345-L351 HydrophobicContact CG1-CG 3.89Å; S347-L351 WeakPolarHBondContact O-CB 3.4Å; S347-L351 WeakPolarHBondContact O-CG 3.4Å; S347-L351 PolarHBondContact O-N 2.66Å; L351-T353 VanDerWaalsContact C-N 3.26Å; L351-T353 PolarHBondContact O-N 2.94Å; L351-F354 PolarHBondContact O-N 3.27Å; L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.31Å; L351-F389 HydrophobicContact CB-CD2 3.82Å; L351-F389 HydrophobicContact CB-CE2 3.75Å; L351-F389 HydrophobicContact CD1-CD2 4.44Å; L351-Y392 HydrophobicContact CD1-CD1 3.76Å; L351-Y392 HydrophobicContact CD1-CD2 4.27Å; L351-Y392 HydrophobicContact CD1-CE1 3.52Å; L351-Y392 HydrophobicContact CD1-CE2 4.04Å; L351-Y392 HydrophobicContact CD1-CG 4.17Å; L351-I407 HydrophobicContact CD1-CD1 4.18Å; L351-I407 HydrophobicContact CD2-CB 4.32Å; L351-I407 HydrophobicContact CD2-CG2 3.9Å; L351-M408 HydrophobicContact CD2-CG 4.1Å; L351-M408 HydrophobicContact CD2-SD 3.81Å
352H94.7Very high91.1Very high2 Ų215.8 Ų15.81%0.00910%0.1CC..Hα-helixtrans-58.2-39.7176.8180-69.8000111.8Q348 E350 L355 K356 F389 L903 L909Q348-H352 WeakPolarHBondContact O-CB 3.43Å; Q348-H352 PolarHBondContact O-N 3.37Å; E350-H352 PolarHBondContact O-N 2.98Å; H352-L355 PolarHBondContact O-N 3.15Å; H352-K356 WeakPolarHBondContact O-CB 3.37Å; H352-K356 PolarHBondContact O-N 3.31Å; H352-F389 HydrophobicContact CB-CE1 4.14Å; H352-F389 HydrophobicContact CB-CE2 4.13Å; H352-F389 HydrophobicContact CB-CZ 3.7Å; H352-F389 AromaticContact CD2-CE1 3.96Å; H352-L903 PolarHBondContact CE1-O 2.76Å; H352-L909 HydrophobicContact CB-CD2 3.7Å
353T95.2Very high92.1Very high2 Ų212.5 Ų12.51%0.0126%0.064CC..Hα-helixtrans-75.2-33.7-178-50.60000111.7L297 T301 Q349 E350 L351 K356 A357L297-T353 HydrophobicContact CD1-CG2 4.14Å; L297-T353 HydrophobicContact CD2-CG2 4.28Å; L297-T353 HydrophobicContact CG-CG2 3.74Å; T301-T353 HydrophobicContact CG2-CG2 4.27Å; Q349-T353 VanDerWaalsContact O-CB 3.29Å; Q349-T353 WeakPolarHBondContact O-CB 3.24Å; Q349-T353 PolarHBondContact O-N 3.31Å; Q349-T353 PolarHBondContact O-OG1 3.5Å; E350-T353 PolarHBondContact O-N 3.41Å; E350-T353 VanDerWaalsContact O-N 3.15Å; L351-T353 VanDerWaalsContact C-N 3.26Å; L351-T353 PolarHBondContact O-N 2.94Å; T353-K356 PolarHBondContact O-N 2.96Å; T353-A357 WeakPolarHBondContact O-CB 3.47Å; T353-A357 PolarHBondContact O-N 2.86Å
354F94.8Very high92.8Very high1 Ų19.6 Ų9.60%0.0045%0.051CC..Hα-helixtrans-59.9-46.2167.3-86.3-60.2000112L297 G335 L336 T338 K339 V345 E350 L351 A357 A358 M408 V411L297-F354 HydrophobicContact CD1-CD1 4.06Å; L297-F354 HydrophobicContact CD1-CE1 4.09Å; L297-F354 HydrophobicContact CD2-CD1 4.26Å; L297-F354 HydrophobicContact CD2-CD2 3.84Å; L297-F354 HydrophobicContact CD2-CE1 4.16Å; L297-F354 HydrophobicContact CD2-CE2 3.74Å; L297-F354 HydrophobicContact CD2-CG 4.08Å; L297-F354 HydrophobicContact CD2-CZ 3.87Å; G335-F354 WeakPolarHBondContact O-CE1 3.47Å; L336-F354 HydrophobicContact CD2-CD1 4.09Å; T338-F354 VanDerWaalsContact OG1-CZ 3.31Å; T338-F354 WeakPolarHBondContact OG1-CZ 3.2Å; K339-F354 HydrophobicContact CB-CE1 4.4Å; K339-F354 HydrophobicContact CB-CE2 4.16Å; K339-F354 HydrophobicContact CB-CZ 3.59Å; K339-F354 HydrophobicContact CG-CE2 3.69Å; K339-F354 HydrophobicContact CG-CZ 3.46Å; K339-F354 VanDerWaalsContact CG-CZ 3.46Å; V345-F354 HydrophobicContact CG2-CE2 4.39Å; E350-F354 HydrophobicContact CG-CD2 3.99Å; E350-F354 HydrophobicContact CG-CE2 3.66Å; E350-F354 VanDerWaalsContact O-CD2 3.3Å; E350-F354 WeakPolarHBondContact O-CD2 3.49Å; E350-F354 PolarHBondContact O-N 2.98Å; L351-F354 PolarHBondContact O-N 3.27Å; F354-A357 PolarHBondContact O-N 3.36Å; F354-A358 WeakPolarHBondContact O-CB 3.4Å; F354-A358 PolarHBondContact O-N 2.83Å; F354-M408 HydrophobicContact CD2-CE 4.38Å; F354-M408 HydrophobicContact CD2-SD 4.33Å; F354-M408 HydrophobicContact CE2-CE 4.37Å; F354-V411 HydrophobicContact CB-CG2 4.4Å
355L96.4Very high93.6Very high2 Ų28 Ų81%0.014%0.04CC..Hα-helixtrans-64.3-40.8177-65.2-174.3000112.2L351 H352 A358 Y359 A385 F389 I407 V411 L903L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.31Å; H352-L355 PolarHBondContact O-N 3.15Å; L355-A358 PolarHBondContact O-N 2.88Å; L355-Y359 WeakPolarHBondContact O-CB 3.4Å; L355-Y359 PolarHBondContact O-N 3.3Å; L355-A385 HydrophobicContact CD1-CB 4.33Å; L355-A385 HydrophobicContact CD2-CB 3.47Å; L355-A385 VanDerWaalsContact CD2-CB 3.47Å; L355-F389 HydrophobicContact CD1-CB 3.68Å; L355-F389 HydrophobicContact CD1-CG 4.09Å; L355-I407 HydrophobicContact CD1-CG2 4.22Å; L355-I407 HydrophobicContact CD2-CG2 4.03Å; L355-I407 HydrophobicContact CG-CG2 4.25Å; L355-V411 HydrophobicContact CD2-CG2 3.95Å; L355-L903 HydrophobicContact CB-CD1 4.4Å; L355-L903 HydrophobicContact CB-CD2 3.62Å
356K97.2Very high94.1Very high40 Ų4010.8 Ų10.817%0.1745%0.052CC..Hα-helixtrans-59.9-46.4173.3-172.6177.2-169.9159.80111.6T301 H352 T353 S360 L903 H904T301-K356 HydrophobicContact CG2-CB 4.31Å; T301-K356 HydrophobicContact CG2-CD 3.93Å; T301-K356 HydrophobicContact CG2-CG 3.92Å; H352-K356 WeakPolarHBondContact O-CB 3.37Å; H352-K356 PolarHBondContact O-N 3.31Å; T353-K356 PolarHBondContact O-N 2.96Å; K356-S360 VanDerWaalsContact O-CB 3.25Å; K356-S360 WeakPolarHBondContact O-CB 3.29Å; K356-S360 PolarHBondContact O-N 2.99Å; K356-S360 PolarHBondContact O-OG 3.27Å; K356-L903 HydrophobicContact CB-CB 4.4Å; K356-L903 WeakPolarHBondContact CD-O 3.39Å; K356-L903 WeakPolarHBondContact CE-O 3.5Å; K356-L903 WeakPolarHBondContact CG-O 3.42Å; K356-H904 VanDerWaalsContact CE-CD2 3.42Å; K356-H904 WeakPolarHBondContact CE-CD2 3.48Å
357A97.7Very high94.8Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-62.2-48.2177.400000111.8L297 T301 F332 L336 T353 F354 Y359 S360 M361L297-A357 HydrophobicContact CD1-CB 4.46Å; T301-A357 HydrophobicContact CG2-CB 4.39Å; F332-A357 HydrophobicContact CD1-CB 4.34Å; L336-A357 HydrophobicContact CD2-CB 4.02Å; L336-A357 HydrophobicContact CG-CB 4.47Å; T353-A357 WeakPolarHBondContact O-CB 3.47Å; T353-A357 PolarHBondContact O-N 2.86Å; F354-A357 PolarHBondContact O-N 3.36Å; A357-Y359 PolarHBondContact O-N 3.31Å; A357-S360 PolarHBondContact O-N 3.14Å; A357-M361 WeakPolarHBondContact O-CB 3.19Å; A357-M361 PolarHBondContact O-N 3.42Å
358A97.3Very high95.4Very high0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-63.7-43.2-179.300000112.7L336 F354 L355 M361 T362 L414L336-A358 HydrophobicContact CD2-CB 3.99Å; F354-A358 WeakPolarHBondContact O-CB 3.4Å; F354-A358 PolarHBondContact O-N 2.83Å; L355-A358 PolarHBondContact O-N 2.88Å; A358-M361 PolarHBondContact O-N 3.21Å; A358-T362 PolarHBondContact O-N 3.18Å; A358-T362 PolarHBondContact O-OG1 3.02Å; A358-L414 HydrophobicContact CB-CB 4.48Å; A358-L414 HydrophobicContact CB-CD1 3.97Å
359Y97.9Very high95.7Very high7 Ų717.6 Ų17.63%0.0279%0.087CC..Hα-helixtrans-66.8-42.8176-169.7-87.7000111.6L355 A357 M361 T362 V363 C382 N862 E879 T880 C881 L903L355-Y359 WeakPolarHBondContact O-CB 3.4Å; L355-Y359 PolarHBondContact O-N 3.3Å; A357-Y359 PolarHBondContact O-N 3.31Å; Y359-M361 VanDerWaalsContact C-N 3.29Å; Y359-M361 PolarHBondContact O-N 2.88Å; Y359-T362 WeakPolarHBondContact O-CB 3.13Å; Y359-T362 PolarHBondContact O-N 3.29Å; Y359-T362 VanDerWaalsContact O-N 3.16Å; Y359-V363 HydrophobicContact CD1-CG2 3.9Å; Y359-V363 HydrophobicContact CE1-CG2 3.48Å; Y359-V363 VanDerWaalsContact CE1-CG2 3.48Å; Y359-V363 WeakPolarHBondContact O-CG2 3.17Å; Y359-V363 PolarHBondContact O-N 3.36Å; Y359-C382 HydrophobicContact CD2-CB 3.69Å; Y359-N862 PolarHBondContact OH-OD1 3.01Å; Y359-E879 HydrophobicContact CE1-CB 4.44Å; Y359-T880 PolarHBondContact OH-O 3.07Å; Y359-C881 HydrophobicContact CD2-CB 3.7Å; Y359-C881 HydrophobicContact CE2-CB 3.71Å; Y359-C881 HydrophobicContact CG-CB 4.25Å; Y359-L903 HydrophobicContact CD2-CD1 4.41Å; Y359-L903 HydrophobicContact CG-CD1 3.94Å
360S98Very high96Very high2 Ų218.8 Ų18.81%0.01410%0.097CC..Hα-helixtrans-65.4-33.5178.5-53.30000112.2F332 K356 A357 T364 H904F332-S360 VanDerWaalsContact CE1-CB 3.45Å; K356-S360 VanDerWaalsContact O-CB 3.25Å; K356-S360 WeakPolarHBondContact O-CB 3.29Å; K356-S360 PolarHBondContact O-N 2.99Å; K356-S360 PolarHBondContact O-OG 3.27Å; A357-S360 PolarHBondContact O-N 3.14Å; S360-T364 WeakPolarHBondContact O-CB 3.42Å; S360-T364 PolarHBondContact O-N 2.91Å; S360-T364 PolarHBondContact O-OG1 3.17Å; S360-H904 PolarHBondContact OG-NE2 3.17Å
361M97.6Very high96.2Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-70.3-39.8171.9-159.7177.971.800111.8R329 F332 L336 A357 A358 Y359 V363 T364 D365 L418 V420R329-M361 HydrophobicContact CG-CG 4.22Å; F332-M361 HydrophobicContact CB-CB 3.78Å; F332-M361 HydrophobicContact CB-CG 3.99Å; F332-M361 HydrophobicContact CB-SD 4.21Å; F332-M361 HydrophobicContact CD2-CB 4.25Å; F332-M361 HydrophobicContact CG-CB 4.28Å; L336-M361 HydrophobicContact CD1-CE 3.44Å; L336-M361 VanDerWaalsContact CD1-CE 3.44Å; L336-M361 HydrophobicContact CD1-SD 3.77Å; A357-M361 WeakPolarHBondContact O-CB 3.19Å; A357-M361 PolarHBondContact O-N 3.42Å; A358-M361 PolarHBondContact O-N 3.21Å; Y359-M361 VanDerWaalsContact C-N 3.29Å; Y359-M361 PolarHBondContact O-N 2.88Å; M361-V363 VanDerWaalsContact C-N 3.31Å; M361-V363 PolarHBondContact O-N 2.73Å; M361-T364 WeakPolarHBondContact O-CB 3.47Å; M361-T364 PolarHBondContact O-N 3.48Å; M361-T364 VanDerWaalsContact O-N 3.1Å; M361-D365 PolarHBondContact O-N 3.45Å; M361-L418 HydrophobicContact CE-CB 3.57Å; M361-L418 HydrophobicContact CE-CD1 3.43Å; M361-L418 VanDerWaalsContact CE-CD1 3.43Å; M361-L418 HydrophobicContact CE-CG 4.14Å; M361-V420 HydrophobicContact CE-CG2 3.51Å; M361-V420 HydrophobicContact SD-CG2 4.1Å
362T97.5Very high96.1Very high4 Ų430.8 Ų30.83%0.02516%0.157CC..Hα-helixtrans-58.3-43.4172.8-55.20000111.5A358 Y359 K366 V375 A378A358-T362 PolarHBondContact O-N 3.18Å; A358-T362 PolarHBondContact O-OG1 3.02Å; Y359-T362 WeakPolarHBondContact O-CB 3.13Å; Y359-T362 PolarHBondContact O-N 3.29Å; Y359-T362 VanDerWaalsContact O-N 3.16Å; T362-K366 PolarHBondContact O-N 2.74Å; T362-V375 HydrophobicContact CG2-CG1 4.46Å; T362-A378 HydrophobicContact CG2-CB 3.59Å
363V97Very high96.2Very high10 Ų1036.1 Ų36.16%0.06119%0.185CC..Hα-helixtrans-65.4-42.9172.51710000111.2L308 Y359 M361 D365 K366 W367 E879L308-V363 HydrophobicContact CD2-CG1 4.24Å; Y359-V363 HydrophobicContact CD1-CG2 3.9Å; Y359-V363 HydrophobicContact CE1-CG2 3.48Å; Y359-V363 VanDerWaalsContact CE1-CG2 3.48Å; Y359-V363 WeakPolarHBondContact O-CG2 3.17Å; Y359-V363 PolarHBondContact O-N 3.36Å; M361-V363 VanDerWaalsContact C-N 3.31Å; M361-V363 PolarHBondContact O-N 2.73Å; V363-D365 VanDerWaalsContact C-N 3.28Å; V363-D365 PolarHBondContact O-N 3.18Å; V363-K366 WeakPolarHBondContact O-CB 3.43Å; V363-K366 PolarHBondContact O-N 2.86Å; V363-W367 PolarHBondContact O-N 2.95Å; V363-E879 HydrophobicContact CG1-CB 4.09Å; V363-E879 HydrophobicContact CG2-CB 3.72Å
364T97.9Very high96.2Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-60.5-40.9178.4-56.50000111.2L325 A328 R329 F332 S360 M361 W367 L368L325-T364 HydrophobicContact CB-CG2 4.26Å; L325-T364 HydrophobicContact CD2-CG2 4.21Å; L325-T364 WeakPolarHBondContact O-CG2 3.46Å; A328-T364 HydrophobicContact CB-CG2 4.27Å; R329-T364 HydrophobicContact CB-CG2 3.97Å; F332-T364 WeakPolarHBondContact CE2-OG1 3.04Å; S360-T364 WeakPolarHBondContact O-CB 3.42Å; S360-T364 PolarHBondContact O-N 2.91Å; S360-T364 PolarHBondContact O-OG1 3.17Å; M361-T364 WeakPolarHBondContact O-CB 3.47Å; M361-T364 PolarHBondContact O-N 3.48Å; M361-T364 VanDerWaalsContact O-N 3.1Å; T364-W367 CarbonylContact O-C 3.58Å; T364-W367 PolarHBondContact O-N 3.35Å; T364-L368 HydrophobicContact CG2-CD1 4.04Å; T364-L368 WeakPolarHBondContact O-CG 3.33Å; T364-L368 PolarHBondContact O-N 3.4Å; T364-L368 VanDerWaalsContact O-N 3.07Å
365D96.9Very high96.2Very high8 Ų838.6 Ų38.64%0.04320%0.2CC..Hα-helixtrans-73.3-33.9179-76.29000112.6R329 M361 V363 W367 L368 D369 A370R329-D365 WeakPolarHBondContact CD-OD1 3.49Å; R329-D365 IonicContact CZ-OD1 3.71Å; R329-D365 IonicContact CZ-OD2 2.59Å; R329-D365 IonicContact NE-OD1 2.78Å; R329-D365 PolarHBondContact NE-OD1 2.88Å; R329-D365 IonicContact NE-OD2 2.72Å; R329-D365 PolarHBondContact NE-OD2 2.99Å; R329-D365 IonicContact NH2-OD1 3.77Å; R329-D365 IonicContact NH2-OD2 2.75Å; R329-D365 PolarHBondContact NH2-OD2 3.17Å; M361-D365 PolarHBondContact O-N 3.45Å; V363-D365 VanDerWaalsContact C-N 3.28Å; V363-D365 PolarHBondContact O-N 3.18Å; D365-W367 PolarHBondContact O-N 3.31Å; D365-L368 CarbonylContact O-C 3.58Å; D365-L368 PolarHBondContact O-N 3.24Å; D365-D369 PolarHBondContact O-N 3.28Å; D365-A370 HydrophobicContact CB-CB 3.93Å; D365-A370 WeakPolarHBondContact O-CB 3.17Å; D365-A370 PolarHBondContact O-N 2.91Å; D365-A370 VanDerWaalsContact O-N 3.08Å
366K95.3Very high96.1Very high59 Ų5945 Ų4526%0.25723%0.228SC..Hα-helixtrans-52.3-36.6166.1176.9-177.5170.71770111.9T362 V363 V375 Y829 E879 D970T362-K366 PolarHBondContact O-N 2.74Å; V363-K366 WeakPolarHBondContact O-CB 3.43Å; V363-K366 PolarHBondContact O-N 2.86Å; K366-V375 HydrophobicContact CB-CG1 3.83Å; K366-V375 HydrophobicContact CB-CG2 4.37Å; K366-V375 HydrophobicContact CG-CG1 4.23Å; K366-Y829 PolarHBondContact NZ-OH 3.31Å; K366-E879 IonicContact NZ-OE2 2.73Å; K366-E879 PolarHBondContact NZ-OE2 3.4Å; K366-D970 IonicContact NZ-OD1 3.78Å
367W95.7Very high96.1Very high30 Ų3046.9 Ų46.911%0.11424%0.238CC..THydrogen-bonded Turntrans-94.51.4179.4-68.8108.1000114.6F312 L325 V363 T364 D365 Q826 Y829 Q830 L833 E879F312-W367 AromaticContact CE1-CD2 3.77Å; F312-W367 HydrophobicContact CE1-CD2 3.77Å; F312-W367 AromaticContact CE1-CE2 3.95Å; F312-W367 AromaticContact CE1-CE3 3.85Å; F312-W367 HydrophobicContact CE1-CE3 3.85Å; F312-W367 HydrophobicContact CE1-CG 4.26Å; F312-W367 HydrophobicContact CE1-CH2 4.29Å; F312-W367 HydrophobicContact CE1-CZ2 4.23Å; F312-W367 HydrophobicContact CE1-CZ3 4.11Å; F312-W367 HydrophobicContact CZ-CB 4.12Å; F312-W367 AromaticContact CZ-CD1 3.7Å; F312-W367 AromaticContact CZ-CD2 3.53Å; F312-W367 HydrophobicContact CZ-CD2 3.53Å; F312-W367 AromaticContact CZ-CE2 3.74Å; F312-W367 HydrophobicContact CZ-CE3 4.06Å; F312-W367 AromaticContact CZ-CG 3.54Å; F312-W367 HydrophobicContact CZ-CG 3.54Å; F312-W367 HydrophobicContact CZ-CZ2 4.42Å; F312-W367 AromaticContact CZ-NE1 3.84Å; L325-W367 HydrophobicContact CD1-CB 4Å; L325-W367 WeakPolarHBondContact CD1-O 3.29Å; L325-W367 HydrophobicContact CD2-CB 4.23Å; V363-W367 PolarHBondContact O-N 2.95Å; T364-W367 CarbonylContact O-C 3.58Å; T364-W367 PolarHBondContact O-N 3.35Å; D365-W367 PolarHBondContact O-N 3.31Å; W367-Q826 HydrophobicContact CH2-CG 4.25Å; W367-Q826 HydrophobicContact CZ3-CG 4.12Å; W367-Y829 HydrophobicContact CZ2-CD1 4.24Å; W367-Y829 HydrophobicContact CZ2-CG 4.16Å; W367-Q830 HydrophobicContact CH2-CG 4.22Å; W367-Q830 HydrophobicContact CZ3-CG 4.25Å; W367-L833 HydrophobicContact CH2-CD1 4.45Å; W367-L833 HydrophobicContact CZ2-CD1 3.64Å; W367-E879 PolarHBondContact NE1-OE1 2.94Å
368L96.3Very high96.1Very high45 Ų4546.9 Ų46.924%0.23624%0.238CC..THydrogen-bonded Turntrans-106.623.8167.8-69171.1000111.5V322 L325 Q326 R329 T364 D365 A370V322-L368 HydrophobicContact CG1-CD2 3.96Å; L325-L368 HydrophobicContact CB-CD1 4.35Å; L325-L368 HydrophobicContact CB-CD2 3.67Å; L325-L368 HydrophobicContact CB-CG 3.99Å; L325-L368 HydrophobicContact CD1-CD2 4.24Å; Q326-L368 HydrophobicContact CG-CD2 4.17Å; R329-L368 HydrophobicContact CB-CD1 4.4Å; T364-L368 HydrophobicContact CG2-CD1 4.04Å; T364-L368 WeakPolarHBondContact O-CG 3.33Å; T364-L368 PolarHBondContact O-N 3.4Å; T364-L368 VanDerWaalsContact O-N 3.07Å; D365-L368 CarbonylContact O-C 3.58Å; D365-L368 PolarHBondContact O-N 3.24Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.35Å
369D93.4Very high96Very high146 Ų14647.3 Ų47.378%0.78124%0.242SC*.THydrogen-bonded Turntrans57.632.2178.1-58.9-52.3000114.8D365D365-D369 PolarHBondContact O-N 3.28Å
370A94.2Very high95.9Very high28 Ų2851.1 Ų51.123%0.23126%0.259CS..  trans-64.5154.817400000112.6D365 L368 K372 V375D365-A370 HydrophobicContact CB-CB 3.93Å; D365-A370 WeakPolarHBondContact O-CB 3.17Å; D365-A370 PolarHBondContact O-N 2.91Å; D365-A370 VanDerWaalsContact O-N 3.08Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.35Å; A370-K372 PolarHBondContact O-N 2.67Å; A370-V375 HydrophobicContact CB-CG2 3.94Å
371P95.8Very high95.8Very high77 Ų7751 Ų5150%0.526%0.259SS..  trans-56.4130.5-177.2-25.434.8000113.2D373 V374 V375P371-D373 WeakPolarHBondContact CB-OD1 3.17Å; P371-D373 PolarHBondContact O-N 3.03Å; P371-V374 HydrophobicContact CB-CB 4.27Å; P371-V374 HydrophobicContact CB-CG2 4.01Å; P371-V374 HydrophobicContact CG-CG2 4.38Å; P371-V374 PolarHBondContact O-N 3.17Å; P371-V374 VanDerWaalsContact O-N 3.09Å; P371-V375 WeakPolarHBondContact O-CG2 3.49Å; P371-V375 PolarHBondContact O-N 2.74Å
372K92.4Very high95.8Very high184 Ų18451.1 Ų51.180%0.826%0.26SS*.Hα-helixtrans-61.4-30.7-172.8-69-166.4175.2-164.90113.6A370 K376A370-K372 PolarHBondContact O-N 2.67Å; K372-K376 WeakPolarHBondContact O-CB 3.26Å; K372-K376 PolarHBondContact O-N 3.41Å
373D94.9Very high95.7Very high113 Ų11353 Ų5360%0.60427%0.268SS*.Hα-helixtrans-67.1-48.7173.455.3-42.9000111.8P371 K376 E377P371-D373 WeakPolarHBondContact CB-OD1 3.17Å; P371-D373 PolarHBondContact O-N 3.03Å; D373-K376 PolarHBondContact O-N 3.17Å; D373-E377 PolarHBondContact O-N 3.13Å
374V95.6Very high95.7Very high36 Ų3656.9 Ų56.922%0.21829%0.286CS..Hα-helixtrans-61.2-46.6175.3176.50000111.1P371 K376 E377 A378 L417 L418P371-V374 HydrophobicContact CB-CB 4.27Å; P371-V374 HydrophobicContact CB-CG2 4.01Å; P371-V374 HydrophobicContact CG-CG2 4.38Å; P371-V374 PolarHBondContact O-N 3.17Å; P371-V374 VanDerWaalsContact O-N 3.09Å; V374-K376 VanDerWaalsContact C-N 3.31Å; V374-K376 PolarHBondContact O-N 3.29Å; V374-E377 PolarHBondContact O-N 3.34Å; V374-A378 VanDerWaalsContact O-CB 3.32Å; V374-A378 WeakPolarHBondContact O-CB 3.27Å; V374-A378 PolarHBondContact O-N 3.35Å; V374-L417 HydrophobicContact CG1-CB 4.45Å; V374-L417 VanDerWaalsContact CG1-O 3.25Å; V374-L417 WeakPolarHBondContact CG1-O 3.47Å; V374-L418 HydrophobicContact CG1-CD2 4.23Å
375V95.1Very high95.6Very high19 Ų1956.9 Ų56.912%0.11529%0.286CS..Hα-helixtrans-60.2-40.8176.2171.60000111.3T362 K366 A370 P371 A379T362-V375 HydrophobicContact CG2-CG1 4.46Å; K366-V375 HydrophobicContact CB-CG1 3.83Å; K366-V375 HydrophobicContact CB-CG2 4.37Å; K366-V375 HydrophobicContact CG-CG1 4.23Å; A370-V375 HydrophobicContact CB-CG2 3.94Å; P371-V375 WeakPolarHBondContact O-CG2 3.49Å; P371-V375 PolarHBondContact O-N 2.74Å; V375-A379 WeakPolarHBondContact O-CB 3.46Å; V375-A379 PolarHBondContact O-N 2.82Å
376K95.1Very high95.6Very high137 Ų13756.5 Ų56.560%0.59628%0.284SS*.Hα-helixtrans-67.5-43.3177.7-179.5175.6179.8175.70112.1K372 D373 V374 A379 Q380K372-K376 WeakPolarHBondContact O-CB 3.26Å; K372-K376 PolarHBondContact O-N 3.41Å; D373-K376 PolarHBondContact O-N 3.17Å; V374-K376 VanDerWaalsContact C-N 3.31Å; V374-K376 PolarHBondContact O-N 3.29Å; K376-A379 PolarHBondContact O-N 3.12Å; K376-Q380 WeakPolarHBondContact O-CG 3.38Å; K376-Q380 PolarHBondContact O-N 3.35Å
377E96.6Very high95.5Very high79 Ų7954.4 Ų54.437%0.36928%0.278SS..Hα-helixtrans-67.9-38.5178.1-168.3175.1-176.400111.7D373 V374 Q380 A381 K413 L417D373-E377 PolarHBondContact O-N 3.13Å; V374-E377 PolarHBondContact O-N 3.34Å; E377-Q380 PolarHBondContact O-N 2.74Å; E377-A381 WeakPolarHBondContact O-CB 3.37Å; E377-A381 PolarHBondContact O-N 3.4Å; E377-K413 WeakPolarHBondContact OE1-CE 3.31Å; E377-K413 IonicContact OE1-NZ 2.76Å; E377-K413 PolarHBondContact OE1-NZ 3.44Å; E377-L417 HydrophobicContact CB-CD1 4.25Å; E377-L417 HydrophobicContact CG-CD1 3.93Å; E377-L417 HydrophobicContact CG-CD2 4.49Å
378A96.7Very high95.5Very high0 Ų056.4 Ų56.40%029%0.286CS..Hα-helixtrans-62.8-46.2172.400000111.7T362 V374 Q380 A381 C382 L414 L417 L418T362-A378 HydrophobicContact CG2-CB 3.59Å; V374-A378 VanDerWaalsContact O-CB 3.32Å; V374-A378 WeakPolarHBondContact O-CB 3.27Å; V374-A378 PolarHBondContact O-N 3.35Å; A378-Q380 VanDerWaalsContact C-N 3.29Å; A378-Q380 PolarHBondContact O-N 2.74Å; A378-A381 PolarHBondContact O-N 2.86Å; A378-A381 VanDerWaalsContact O-N 3.15Å; A378-C382 PolarHBondContact O-N 3.32Å; A378-C382 PolarHBondContact O-SG 3.36Å; A378-L414 HydrophobicContact CB-CD2 3.64Å; A378-L414 WeakPolarHBondContact O-CD2 3.4Å; A378-L417 HydrophobicContact CB-CD1 4.46Å; A378-L418 HydrophobicContact CB-CD1 4.28Å; A378-L418 HydrophobicContact CB-CD2 4.11Å; A378-L418 HydrophobicContact CB-CG 4.34Å
379A95.8Very high95.4Very high10 Ų1054.2 Ų54.28%0.08328%0.275CS..Hα-helixtrans-59.1-40.417500000112.2V375 K376 C382 Q383V375-A379 WeakPolarHBondContact O-CB 3.46Å; V375-A379 PolarHBondContact O-N 2.82Å; K376-A379 PolarHBondContact O-N 3.12Å; A379-C382 PolarHBondContact O-N 3.05Å; A379-Q383 VanDerWaalsContact O-CG 3.3Å; A379-Q383 WeakPolarHBondContact O-CG 3.33Å; A379-Q383 PolarHBondContact O-N 2.99Å
380Q95.9Very high95.2Very high86 Ų8648.6 Ų48.640%0.40224%0.243SC..Hα-helixtrans-65.9-39.6174.8-73.5176.9-12.700112.9K376 E377 A378 Q383 Q384K376-Q380 WeakPolarHBondContact O-CG 3.38Å; K376-Q380 PolarHBondContact O-N 3.35Å; E377-Q380 PolarHBondContact O-N 2.74Å; A378-Q380 VanDerWaalsContact C-N 3.29Å; A378-Q380 PolarHBondContact O-N 2.74Å; Q380-Q383 PolarHBondContact O-N 3.22Å; Q380-Q384 WeakPolarHBondContact O-CG 3.24Å; Q380-Q384 PolarHBondContact O-N 3.21Å
381A96.8Very high95.1Very high1 Ų152.6 Ų52.61%0.00826%0.255CS..Hα-helixtrans-62.9-42.1173.900000111.4E377 A378 Q383 Q384 A385 L414E377-A381 WeakPolarHBondContact O-CB 3.37Å; E377-A381 PolarHBondContact O-N 3.4Å; A378-A381 PolarHBondContact O-N 2.86Å; A378-A381 VanDerWaalsContact O-N 3.15Å; A381-Q383 PolarHBondContact O-N 3.12Å; A381-Q384 PolarHBondContact O-N 3.31Å; A381-A385 VanDerWaalsContact O-CB 3.29Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.11Å; A381-L414 HydrophobicContact CB-CD1 4.09Å; A381-L414 HydrophobicContact CB-CD2 4.07Å; A381-L414 HydrophobicContact CB-CG 3.87Å
382C96.9Very high94.8Very high2 Ų249.4 Ų49.41%0.01423%0.233CC..Hα-helixtrans-62.7-39.7173.1-680000113.1Y359 A378 A379 A385 L386 L414Y359-C382 HydrophobicContact CD2-CB 3.69Å; A378-C382 PolarHBondContact O-N 3.32Å; A378-C382 PolarHBondContact O-SG 3.36Å; A379-C382 PolarHBondContact O-N 3.05Å; C382-A385 PolarHBondContact O-N 3.21Å; C382-L386 WeakPolarHBondContact O-CB 3.32Å; C382-L386 PolarHBondContact O-N 2.87Å; C382-L414 VanDerWaalsContact SG-CD1 3.56Å
383Q96.2Very high94.4Very high44 Ų4441.8 Ų41.821%0.20620%0.203CC..Hα-helixtrans-63.1-46.8175.4-74.3166.7-0.400111.7A379 Q380 A381 A385 L386 G387 A860 N862A379-Q383 VanDerWaalsContact O-CG 3.3Å; A379-Q383 WeakPolarHBondContact O-CG 3.33Å; A379-Q383 PolarHBondContact O-N 2.99Å; Q380-Q383 PolarHBondContact O-N 3.22Å; A381-Q383 PolarHBondContact O-N 3.12Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; Q383-A385 PolarHBondContact O-N 3.29Å; Q383-L386 PolarHBondContact O-N 3.07Å; Q383-G387 PolarHBondContact O-N 3.18Å; Q383-A860 HydrophobicContact CB-CB 3.86Å; Q383-A860 HydrophobicContact CG-CB 4.26Å; Q383-A860 WeakPolarHBondContact O-CB 3.32Å; Q383-N862 PolarHBondContact NE2-OD1 3.45Å
384Q96.4Very high93.7Very high90 Ų9040.8 Ų40.842%0.42120%0.198SC..Hα-helixtrans-60.3-45.2175.5-70.1173.324.600111.4Q380 A381 G387 Y388Q380-Q384 WeakPolarHBondContact O-CG 3.24Å; Q380-Q384 PolarHBondContact O-N 3.21Å; A381-Q384 PolarHBondContact O-N 3.31Å; Q384-G387 PolarHBondContact O-N 3.01Å; Q384-Y388 HydrophobicContact CB-CE2 4.47Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.13Å; Q384-Y388 PolarHBondContact O-N 3.43Å
385A96.4Very high92.7Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-65.8-38.6179.800000112.9L355 A381 C382 Q383 Y388 F389 Q410L355-A385 HydrophobicContact CD1-CB 4.33Å; L355-A385 HydrophobicContact CD2-CB 3.47Å; L355-A385 VanDerWaalsContact CD2-CB 3.47Å; A381-A385 VanDerWaalsContact O-CB 3.29Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.11Å; C382-A385 PolarHBondContact O-N 3.21Å; Q383-A385 VanDerWaalsContact C-N 3.35Å; Q383-A385 PolarHBondContact O-N 3.29Å; A385-Y388 PolarHBondContact O-N 3.4Å; A385-F389 WeakPolarHBondContact O-CB 3.38Å; A385-F389 PolarHBondContact O-N 2.83Å; A385-Q410 HydrophobicContact CB-CB 3.68Å; A385-Q410 HydrophobicContact CB-CG 4.11Å
386L95.6Very high91.1Very high1 Ų143.5 Ų43.51%0.00522%0.219CC..Hα-helixtrans-66.1-38.5172.7-176.561.9000111.6C382 Q383 Y388 F389 Y390 C881 L903C382-L386 WeakPolarHBondContact O-CB 3.32Å; C382-L386 PolarHBondContact O-N 2.87Å; Q383-L386 PolarHBondContact O-N 3.07Å; L386-Y388 VanDerWaalsContact C-N 3.3Å; L386-Y388 PolarHBondContact O-N 3.21Å; L386-F389 HydrophobicContact CD1-CD1 4.18Å; L386-F389 PolarHBondContact O-N 3.15Å; L386-F389 VanDerWaalsContact O-N 3.11Å; L386-Y390 PolarHBondContact O-N 3.09Å; L386-C881 HydrophobicContact CD2-CB 3.88Å; L386-C881 VanDerWaalsContact CD2-SG 3.52Å; L386-L903 HydrophobicContact CD1-CD2 4Å
387G94.4Very high89.5Confident14 Ų1439.8 Ų39.814%0.14421%0.208CC..Hα-helixtrans-64.4-30.5173.600000114.1Q383 Q384 K391Q383-G387 PolarHBondContact O-N 3.18Å; Q384-G387 PolarHBondContact O-N 3.01Å; G387-K391 WeakPolarHBondContact O-CG 3.31Å
388Y94.9Very high87.7Confident72 Ų7244.3 Ų44.328%0.28223%0.229SC..Hα-helixtrans-76-35.8168-59.9-39.9000112.3Q384 A385 L386 K391 Y392 L403 R406 Q410Q384-Y388 HydrophobicContact CB-CE2 4.47Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.13Å; Q384-Y388 PolarHBondContact O-N 3.43Å; A385-Y388 PolarHBondContact O-N 3.4Å; L386-Y388 VanDerWaalsContact C-N 3.3Å; L386-Y388 PolarHBondContact O-N 3.21Å; Y388-K391 PolarHBondContact O-N 2.88Å; Y388-Y392 WeakPolarHBondContact O-CB 3.4Å; Y388-Y392 PolarHBondContact O-N 3.46Å; Y388-L403 HydrophobicContact CD1-CD2 4.21Å; Y388-L403 HydrophobicContact CG-CD2 4.49Å; Y388-R406 HydrophobicContact CD2-CB 3.83Å; Y388-R406 HydrophobicContact CE2-CB 4.03Å; Y388-R406 HydrophobicContact CG-CB 4.27Å; Y388-Q410 HydrophobicContact CE2-CG 4.31Å
389F93.4Very high86.7Confident0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-66.9-39179.1-179.9-97.2000113.3Q348 L351 H352 L355 A385 L386 Y392 C393 I407 L909Q348-F389 HydrophobicContact CB-CE2 4.46Å; Q348-F389 HydrophobicContact CB-CZ 4.41Å; Q348-F389 WeakPolarHBondContact O-CE2 3.15Å; Q348-F389 WeakPolarHBondContact O-CZ 3.21Å; L351-F389 HydrophobicContact CB-CD2 3.82Å; L351-F389 HydrophobicContact CB-CE2 3.75Å; L351-F389 HydrophobicContact CD1-CD2 4.44Å; H352-F389 HydrophobicContact CB-CE1 4.14Å; H352-F389 HydrophobicContact CB-CE2 4.13Å; H352-F389 HydrophobicContact CB-CZ 3.7Å; H352-F389 AromaticContact CD2-CE1 3.96Å; L355-F389 HydrophobicContact CD1-CB 3.68Å; L355-F389 HydrophobicContact CD1-CG 4.09Å; A385-F389 WeakPolarHBondContact O-CB 3.38Å; A385-F389 PolarHBondContact O-N 2.83Å; L386-F389 HydrophobicContact CD1-CD1 4.18Å; L386-F389 PolarHBondContact O-N 3.15Å; L386-F389 VanDerWaalsContact O-N 3.11Å; F389-Y392 HydrophobicContact CD2-CD1 4.49Å; F389-Y392 HydrophobicContact CE2-CD1 4.41Å; F389-Y392 CarbonylContact O-C 3.57Å; F389-Y392 WeakPolarHBondContact O-CB 3.49Å; F389-Y392 PolarHBondContact O-N 3.49Å; F389-C393 PolarHBondContact O-N 3.21Å; F389-C393 PolarHBondContact O-SG 3.48Å; F389-I407 HydrophobicContact CB-CD1 4.07Å; F389-I407 HydrophobicContact CD2-CD1 4.3Å; F389-L909 HydrophobicContact CE1-CD2 4.35Å; F389-L909 HydrophobicContact CZ-CD2 3.8Å
390Y90.6Very high86Confident27 Ų2749 Ų4911%0.10625%0.251CS..Hα-helixtrans-59.3-49.6173.2-170.6-83.7000110.5L386 Y392 C393 D394 Y883 W899 Q901L386-Y390 PolarHBondContact O-N 3.09Å; Y390-Y392 VanDerWaalsContact C-N 3.27Å; Y390-Y392 PolarHBondContact O-N 3.37Å; Y390-C393 WeakPolarHBondContact O-CA 3.41Å; Y390-C393 VanDerWaalsContact O-CB 3.24Å; Y390-C393 WeakPolarHBondContact O-CB 3.49Å; Y390-C393 PolarHBondContact O-N 2.93Å; Y390-D394 WeakPolarHBondContact CE1-OD2 3.47Å; Y390-D394 PolarHBondContact O-N 3.39Å; Y390-Y883 AromaticContact CD1-CD1 3.77Å; Y390-Y883 HydrophobicContact CD1-CD1 3.77Å; Y390-Y883 AromaticContact CD1-CE1 3.33Å; Y390-Y883 HydrophobicContact CD1-CE1 3.33Å; Y390-Y883 AromaticContact CD2-CD1 3.22Å; Y390-Y883 HydrophobicContact CD2-CD1 3.22Å; Y390-Y883 AromaticContact CD2-CE1 3.75Å; Y390-Y883 HydrophobicContact CD2-CE1 3.75Å; Y390-Y883 AromaticContact CD2-CG 3.99Å; Y390-Y883 HydrophobicContact CD2-CG 3.99Å; Y390-Y883 HydrophobicContact CE1-CD1 4.19Å; Y390-Y883 AromaticContact CE1-CE1 3.74Å; Y390-Y883 HydrophobicContact CE1-CE1 3.74Å; Y390-Y883 AromaticContact CE2-CD1 3.67Å; Y390-Y883 HydrophobicContact CE2-CD1 3.67Å; Y390-Y883 HydrophobicContact CE2-CE1 4.08Å; Y390-Y883 AromaticContact CG-CD1 3.26Å; Y390-Y883 HydrophobicContact CG-CD1 3.26Å; Y390-Y883 AromaticContact CG-CE1 3.34Å; Y390-Y883 HydrophobicContact CG-CE1 3.34Å; Y390-Y883 HydrophobicContact CG-CG 4.01Å; Y390-W899 WeakPolarHBondContact OH-CB 3.47Å; Y390-Q901 HydrophobicContact CD2-CB 4.06Å; Y390-Q901 HydrophobicContact CE2-CB 4.31Å
391K90.7Very high85.3Confident113 Ų11349.3 Ų49.349%0.49126%0.256SS..Hα-helixtrans-61-34.8175-64-178.8-177.1-168.80112.6G387 Y388 C393 D394 S395 L403G387-K391 WeakPolarHBondContact O-CG 3.31Å; Y388-K391 PolarHBondContact O-N 2.88Å; K391-C393 PolarHBondContact O-N 2.88Å; K391-D394 PolarHBondContact O-N 2.88Å; K391-S395 WeakPolarHBondContact O-CB 3.36Å; K391-S395 PolarHBondContact O-N 3.35Å; K391-S395 PolarHBondContact O-OG 2.88Å; K391-L403 HydrophobicContact CB-CD1 3.93Å; K391-L403 HydrophobicContact CB-CD2 4.37Å
392Y89.8Confident84.9Confident9 Ų951 Ų514%0.03527%0.272CS..Hα-helixtrans-66.5-22.6173.6-179.1-86.2000112.5T346 Q348 L351 Y388 F389 Y390 K400 L403 I407T346-Y392 VanDerWaalsContact C-OH 3.23Å; T346-Y392 WeakPolarHBondContact CA-OH 3.41Å; T346-Y392 PolarHBondContact O-OH 3.4Å; T346-Y392 VanDerWaalsContact O-OH 3.07Å; Q348-Y392 HydrophobicContact CG-CD1 4.07Å; Q348-Y392 HydrophobicContact CG-CE1 3.66Å; L351-Y392 HydrophobicContact CD1-CD1 3.76Å; L351-Y392 HydrophobicContact CD1-CD2 4.27Å; L351-Y392 HydrophobicContact CD1-CE1 3.52Å; L351-Y392 HydrophobicContact CD1-CE2 4.04Å; L351-Y392 HydrophobicContact CD1-CG 4.17Å; Y388-Y392 WeakPolarHBondContact O-CB 3.4Å; Y388-Y392 PolarHBondContact O-N 3.46Å; F389-Y392 HydrophobicContact CD2-CD1 4.49Å; F389-Y392 HydrophobicContact CE2-CD1 4.41Å; F389-Y392 CarbonylContact O-C 3.57Å; F389-Y392 WeakPolarHBondContact O-CB 3.49Å; F389-Y392 PolarHBondContact O-N 3.49Å; Y390-Y392 VanDerWaalsContact C-N 3.27Å; Y390-Y392 PolarHBondContact O-N 3.37Å; Y392-K400 HydrophobicContact CD2-CB 3.9Å; Y392-K400 HydrophobicContact CD2-CG 4.13Å; Y392-K400 WeakPolarHBondContact CD2-O 3.43Å; Y392-K400 HydrophobicContact CE2-CB 3.57Å; Y392-K400 HydrophobicContact CE2-CD 4.35Å; Y392-K400 HydrophobicContact CE2-CG 4.1Å; Y392-K400 WeakPolarHBondContact CE2-O 3.45Å; Y392-K400 WeakPolarHBondContact O-CD 3.35Å; Y392-K400 WeakPolarHBondContact O-CE 3.4Å; Y392-K400 PolarHBondContact O-NZ 2.84Å; Y392-L403 HydrophobicContact CD2-CB 3.97Å; Y392-I407 HydrophobicContact CD2-CD1 4.46Å; Y392-I407 HydrophobicContact CG-CD1 4.22Å
393C85.5Confident84.7Confident24 Ų2451 Ų5116%0.16227%0.273CS..Hα-helixtrans-70-49171.2-63.20000111.1F389 Y390 K391 K400F389-C393 PolarHBondContact O-N 3.21Å; F389-C393 PolarHBondContact O-SG 3.48Å; Y390-C393 WeakPolarHBondContact O-CA 3.41Å; Y390-C393 VanDerWaalsContact O-CB 3.24Å; Y390-C393 WeakPolarHBondContact O-CB 3.49Å; Y390-C393 PolarHBondContact O-N 2.93Å; K391-C393 PolarHBondContact O-N 2.88Å; C393-K400 PolarHBondContact O-NZ 3.49Å
394D78.8Confident84.4Confident92 Ų9249.1 Ų49.149%0.49226%0.264SS..Hα-helixtrans-89.4-20.3-169-56.2-28.6000114.9Y390 K391Y390-D394 WeakPolarHBondContact CE1-OD2 3.47Å; Y390-D394 PolarHBondContact O-N 3.39Å; K391-D394 PolarHBondContact O-N 2.88Å
395S75.6Confident84.2Confident25 Ų2548.6 Ų48.618%0.17527%0.267CS..SBendtrans-76.1166.9-168.370.60000116K391 D399 K400K391-S395 WeakPolarHBondContact O-CB 3.36Å; K391-S395 PolarHBondContact O-N 3.35Å; K391-S395 PolarHBondContact O-OG 2.88Å; S395-D399 WeakPolarHBondContact CB-OD2 3.41Å; S395-D399 PolarHBondContact OG-OD2 2.89Å; S395-K400 WeakPolarHBondContact O-CE 3.25Å; S395-K400 VanDerWaalsContact OG-CG 3.29Å; S395-K400 WeakPolarHBondContact OG-CG 3.35Å
396S62.1Low84Confident87 Ų8754.2 Ų54.261%0.60829%0.288SS*.  trans-76.7160.6174.277.20000111.8Q398 D399 K400S396-Q398 VanDerWaalsContact C-N 3.25Å; S396-Q398 PolarHBondContact O-N 2.8Å; S396-D399 PolarHBondContact O-N 2.68Å; S396-K400 PolarHBondContact O-N 2.79Å
397T60.3Low84Confident59 Ų5954.1 Ų54.136%0.36229%0.288SS..Hα-helixtrans-66.5-18.8-163.459.20000115.8
398Q59.8Low83.9Confident175 Ų17554.6 Ų54.682%0.81829%0.286SS*.Hα-helixtrans-80.8-29.9175.1-73.2179.6-20.500112.8S396S396-Q398 VanDerWaalsContact C-N 3.25Å; S396-Q398 PolarHBondContact O-N 2.8Å
399D74Confident83.9Confident71 Ų7156.8 Ų56.838%0.3830%0.299SS..Hα-helixtrans-78.6-30.7175.6-177.149.4000111.3S395 S396 D401 G402 L403S395-D399 WeakPolarHBondContact CB-OD2 3.41Å; S395-D399 PolarHBondContact OG-OD2 2.89Å; S396-D399 PolarHBondContact O-N 2.68Å; D399-D401 PolarHBondContact O-N 3Å; D399-G402 PolarHBondContact O-N 2.88Å; D399-L403 WeakPolarHBondContact O-CB 3.47Å; D399-L403 WeakPolarHBondContact O-CG 3.39Å; D399-L403 PolarHBondContact O-N 3.13Å; D399-L403 WeakPolarHBondContact OD2-CD1 3.48Å
400K81.2Confident84Confident38 Ų3858 Ų5817%0.16531%0.305CS..Hα-helixtrans-54.4-45.9175.3-72.2-162.6-171-1350113.1Y392 C393 S395 S396 G402 L403 S404Y392-K400 HydrophobicContact CD2-CB 3.9Å; Y392-K400 HydrophobicContact CD2-CG 4.13Å; Y392-K400 WeakPolarHBondContact CD2-O 3.43Å; Y392-K400 HydrophobicContact CE2-CB 3.57Å; Y392-K400 HydrophobicContact CE2-CD 4.35Å; Y392-K400 HydrophobicContact CE2-CG 4.1Å; Y392-K400 WeakPolarHBondContact CE2-O 3.45Å; Y392-K400 WeakPolarHBondContact O-CD 3.35Å; Y392-K400 WeakPolarHBondContact O-CE 3.4Å; Y392-K400 PolarHBondContact O-NZ 2.84Å; C393-K400 PolarHBondContact O-NZ 3.49Å; S395-K400 WeakPolarHBondContact O-CE 3.25Å; S395-K400 VanDerWaalsContact OG-CG 3.29Å; S395-K400 WeakPolarHBondContact OG-CG 3.35Å; S396-K400 PolarHBondContact O-N 2.79Å; K400-G402 PolarHBondContact O-N 3.5Å; K400-L403 PolarHBondContact O-N 3.19Å; K400-S404 WeakPolarHBondContact O-CB 3.25Å; K400-S404 PolarHBondContact O-N 3.1Å
401D82.5Confident84.1Confident92 Ų9256.8 Ų56.849%0.49230%0.3SS..Hα-helixtrans-64-42.5-177.5-62.8-27.5000111.6D399 S404 V405D399-D401 PolarHBondContact O-N 3Å; D401-S404 PolarHBondContact O-N 3.37Å; D401-V405 WeakPolarHBondContact O-CG2 3.27Å; D401-V405 PolarHBondContact O-N 3.42Å; D401-V405 VanDerWaalsContact O-N 3.14Å
402G88.3Confident84.3Confident35 Ų3552.2 Ų52.236%0.36128%0.283SS..Hα-helixtrans-66-36174.300000113.9D399 K400 R406D399-G402 PolarHBondContact O-N 2.88Å; K400-G402 PolarHBondContact O-N 3.5Å; G402-R406 WeakPolarHBondContact O-CG 3.32Å; G402-R406 PolarHBondContact O-N 3.5Å
403L91.6Very high84.5Confident4 Ų455.2 Ų55.22%0.02130%0.297CS..Hα-helixtrans-70.3-40.7174.3-75.3168.8000112.4Y388 K391 Y392 D399 K400 V405 R406 I407Y388-L403 HydrophobicContact CD1-CD2 4.21Å; Y388-L403 HydrophobicContact CG-CD2 4.49Å; K391-L403 HydrophobicContact CB-CD1 3.93Å; K391-L403 HydrophobicContact CB-CD2 4.37Å; Y392-L403 HydrophobicContact CD2-CB 3.97Å; D399-L403 WeakPolarHBondContact O-CB 3.47Å; D399-L403 WeakPolarHBondContact O-CG 3.39Å; D399-L403 PolarHBondContact O-N 3.13Å; D399-L403 WeakPolarHBondContact OD2-CD1 3.48Å; K400-L403 PolarHBondContact O-N 3.19Å; L403-V405 VanDerWaalsContact C-N 3.34Å; L403-V405 PolarHBondContact O-N 3.43Å; L403-R406 PolarHBondContact O-N 3.03Å; L403-R406 VanDerWaalsContact O-N 3.17Å; L403-I407 WeakPolarHBondContact O-CD1 3.32Å; L403-I407 VanDerWaalsContact O-CG1 3.24Å; L403-I407 WeakPolarHBondContact O-CG1 3.49Å; L403-I407 PolarHBondContact O-N 2.94Å
404S90.6Very high84.9Confident4 Ų454 Ų543%0.02829%0.289CS..Hα-helixtrans-55.1-48.9173.1157.30000111.1V345 K400 D401 R406 I407 M408V345-S404 PolarHBondContact O-OG 3.46Å; K400-S404 WeakPolarHBondContact O-CB 3.25Å; K400-S404 PolarHBondContact O-N 3.1Å; D401-S404 PolarHBondContact O-N 3.37Å; S404-R406 VanDerWaalsContact C-N 3.33Å; S404-R406 PolarHBondContact O-N 2.84Å; S404-I407 PolarHBondContact O-N 3.42Å; S404-I407 VanDerWaalsContact O-N 3.17Å; S404-M408 WeakPolarHBondContact O-CG 3.48Å; S404-M408 PolarHBondContact O-N 3.13Å
405V91.3Very high85.7Confident79 Ų7950.5 Ų50.548%0.47927%0.269SS..Hα-helixtrans-58.8-43.6176.9171.90000111.2D401 L403 I407 M408 Q409D401-V405 WeakPolarHBondContact O-CG2 3.27Å; D401-V405 PolarHBondContact O-N 3.42Å; D401-V405 VanDerWaalsContact O-N 3.14Å; L403-V405 VanDerWaalsContact C-N 3.34Å; L403-V405 PolarHBondContact O-N 3.43Å; V405-I407 PolarHBondContact O-N 3.36Å; V405-M408 PolarHBondContact O-N 3.23Å; V405-Q409 HydrophobicContact CG1-CG 4.38Å; V405-Q409 WeakPolarHBondContact O-CB 3.49Å; V405-Q409 VanDerWaalsContact O-CG 3.22Å; V405-Q409 WeakPolarHBondContact O-CG 3.27Å; V405-Q409 PolarHBondContact O-N 3.46Å
406R93.4Very high86.6Confident117 Ų11755.6 Ų55.644%0.44229%0.29SS..Hα-helixtrans-64.1-38176.4-70.5172.5-175.7155.63.8113.2Y388 G402 L403 S404 Q410Y388-R406 HydrophobicContact CD2-CB 3.83Å; Y388-R406 HydrophobicContact CE2-CB 4.03Å; Y388-R406 HydrophobicContact CG-CB 4.27Å; G402-R406 WeakPolarHBondContact O-CG 3.32Å; G402-R406 PolarHBondContact O-N 3.5Å; L403-R406 PolarHBondContact O-N 3.03Å; L403-R406 VanDerWaalsContact O-N 3.17Å; S404-R406 VanDerWaalsContact C-N 3.33Å; S404-R406 PolarHBondContact O-N 2.84Å; R406-Q410 WeakPolarHBondContact O-CG 3.45Å; R406-Q410 PolarHBondContact O-N 2.94Å
407I94.6Very high88.1Confident0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-64.7-48.9175.9-64.8157.9000109.7L351 L355 F389 Y392 L403 S404 V405 Q409 Q410 V411L351-I407 HydrophobicContact CD1-CD1 4.18Å; L351-I407 HydrophobicContact CD2-CB 4.32Å; L351-I407 HydrophobicContact CD2-CG2 3.9Å; L355-I407 HydrophobicContact CD1-CG2 4.22Å; L355-I407 HydrophobicContact CD2-CG2 4.03Å; L355-I407 HydrophobicContact CG-CG2 4.25Å; F389-I407 HydrophobicContact CB-CD1 4.07Å; F389-I407 HydrophobicContact CD2-CD1 4.3Å; Y392-I407 HydrophobicContact CD2-CD1 4.46Å; Y392-I407 HydrophobicContact CG-CD1 4.22Å; L403-I407 WeakPolarHBondContact O-CD1 3.32Å; L403-I407 VanDerWaalsContact O-CG1 3.24Å; L403-I407 WeakPolarHBondContact O-CG1 3.49Å; L403-I407 PolarHBondContact O-N 2.94Å; S404-I407 PolarHBondContact O-N 3.42Å; S404-I407 VanDerWaalsContact O-N 3.17Å; V405-I407 PolarHBondContact O-N 3.36Å; I407-Q409 VanDerWaalsContact C-N 3.33Å; I407-Q409 PolarHBondContact O-N 2.91Å; I407-Q410 PolarHBondContact O-N 3.25Å; I407-Q410 VanDerWaalsContact O-N 3.17Å; I407-V411 WeakPolarHBondContact O-CG2 3.42Å; I407-V411 PolarHBondContact O-N 3.03Å
408M93.8Very high89.7Confident23 Ų2351.1 Ų51.111%0.11326%0.257CS..Hα-helixtrans-68.4-29.3180-64.7-57.3-65.200113V345 L351 F354 S404 V405 V411 A412V345-M408 HydrophobicContact CB-CG 4.34Å; V345-M408 HydrophobicContact CB-SD 4.15Å; V345-M408 HydrophobicContact CG2-CE 3.79Å; V345-M408 HydrophobicContact CG2-CG 4.28Å; V345-M408 HydrophobicContact CG2-SD 3.88Å; L351-M408 HydrophobicContact CD2-CG 4.1Å; L351-M408 HydrophobicContact CD2-SD 3.81Å; F354-M408 HydrophobicContact CD2-CE 4.38Å; F354-M408 HydrophobicContact CD2-SD 4.33Å; F354-M408 HydrophobicContact CE2-CE 4.37Å; S404-M408 WeakPolarHBondContact O-CG 3.48Å; S404-M408 PolarHBondContact O-N 3.13Å; V405-M408 PolarHBondContact O-N 3.23Å; M408-V411 PolarHBondContact O-N 3.3Å; M408-A412 PolarHBondContact O-N 2.95Å
409Q94.1Very high91.3Very high119 Ų11944.6 Ų44.656%0.55624%0.237SC*.Hα-helixtrans-62.8-41.4169.7-78.7169.5-11.100112.3V405 I407 A412 K413V405-Q409 HydrophobicContact CG1-CG 4.38Å; V405-Q409 WeakPolarHBondContact O-CB 3.49Å; V405-Q409 VanDerWaalsContact O-CG 3.22Å; V405-Q409 WeakPolarHBondContact O-CG 3.27Å; V405-Q409 PolarHBondContact O-N 3.46Å; I407-Q409 VanDerWaalsContact C-N 3.33Å; I407-Q409 PolarHBondContact O-N 2.91Å; Q409-A412 PolarHBondContact O-N 3.29Å; Q409-K413 PolarHBondContact O-N 3.48Å
410Q95.3Very high92.3Very high25 Ų2542 Ų4212%0.11722%0.224CC..Hα-helixtrans-68-37.3173.9-65.1-72-800111.4A385 Y388 R406 I407 K413 L414A385-Q410 HydrophobicContact CB-CB 3.68Å; A385-Q410 HydrophobicContact CB-CG 4.11Å; Y388-Q410 HydrophobicContact CE2-CG 4.31Å; R406-Q410 WeakPolarHBondContact O-CG 3.45Å; R406-Q410 PolarHBondContact O-N 2.94Å; I407-Q410 PolarHBondContact O-N 3.25Å; I407-Q410 VanDerWaalsContact O-N 3.17Å; Q410-K413 PolarHBondContact O-N 2.91Å; Q410-L414 WeakPolarHBondContact O-CB 3.48Å; Q410-L414 WeakPolarHBondContact O-CD1 3.49Å; Q410-L414 VanDerWaalsContact O-CG 3.3Å; Q410-L414 WeakPolarHBondContact O-CG 3.29Å; Q410-L414 PolarHBondContact O-N 2.93Å
411V93.9Very high92.7Very high1 Ų147.2 Ų47.21%0.00625%0.248CC..Hα-helixtrans-62.7-39.6172.7175.10000111.6L336 F354 L355 I407 M408 L414 K415L336-V411 HydrophobicContact CD2-CG1 4.31Å; F354-V411 HydrophobicContact CB-CG2 4.4Å; L355-V411 HydrophobicContact CD2-CG2 3.95Å; I407-V411 WeakPolarHBondContact O-CG2 3.42Å; I407-V411 PolarHBondContact O-N 3.03Å; M408-V411 PolarHBondContact O-N 3.3Å; V411-L414 WeakPolarHBondContact O-CB 3.47Å; V411-L414 PolarHBondContact O-N 3.19Å; V411-K415 WeakPolarHBondContact O-CG 3.31Å; V411-K415 PolarHBondContact O-N 3.32Å
412A93.8Very high93.1Very high17 Ų1747.6 Ų47.614%0.1426%0.256CS..Hα-helixtrans-64.2-45.117300000111.9E341 M408 Q409 L414 K415 Q416E341-A412 HydrophobicContact CG-CB 4.18Å; M408-A412 PolarHBondContact O-N 2.95Å; Q409-A412 PolarHBondContact O-N 3.29Å; A412-L414 VanDerWaalsContact C-N 3.26Å; A412-L414 PolarHBondContact O-N 3.39Å; A412-K415 WeakPolarHBondContact O-CB 3.33Å; A412-K415 PolarHBondContact O-N 3.15Å; A412-K415 VanDerWaalsContact O-N 3.13Å; A412-Q416 WeakPolarHBondContact O-CG 3.36Å; A412-Q416 PolarHBondContact O-N 3.06Å; A412-Q416 VanDerWaalsContact O-N 3.07Å
413K94.3Very high93.2Very high72 Ų7248.5 Ų48.531%0.31325%0.25SS..Hα-helixtrans-56.4-41.7172.6-168.4-170.7-179.7-166.90111.9E377 Q409 Q410 Q416 L417E377-K413 WeakPolarHBondContact OE1-CE 3.31Å; E377-K413 IonicContact OE1-NZ 2.76Å; E377-K413 PolarHBondContact OE1-NZ 3.44Å; Q409-K413 PolarHBondContact O-N 3.48Å; Q410-K413 PolarHBondContact O-N 2.91Å; K413-Q416 PolarHBondContact O-N 3.43Å; K413-L417 HydrophobicContact CD-CD1 4.39Å; K413-L417 HydrophobicContact CG-CD1 4.13Å; K413-L417 HydrophobicContact CG-CG 4.4Å; K413-L417 WeakPolarHBondContact O-CB 3Å; K413-L417 WeakPolarHBondContact O-CG 3.44Å; K413-L417 PolarHBondContact O-N 3.14Å
414L94.4Very high93.1Very high0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-65.1-39.3176.8-78.7156.9000112.8A358 A378 A381 C382 Q410 V411 A412 Q416 L418A358-L414 HydrophobicContact CB-CB 4.48Å; A358-L414 HydrophobicContact CB-CD1 3.97Å; A378-L414 HydrophobicContact CB-CD2 3.64Å; A378-L414 WeakPolarHBondContact O-CD2 3.4Å; A381-L414 HydrophobicContact CB-CD1 4.09Å; A381-L414 HydrophobicContact CB-CD2 4.07Å; A381-L414 HydrophobicContact CB-CG 3.87Å; C382-L414 VanDerWaalsContact SG-CD1 3.56Å; Q410-L414 WeakPolarHBondContact O-CB 3.48Å; Q410-L414 WeakPolarHBondContact O-CD1 3.49Å; Q410-L414 VanDerWaalsContact O-CG 3.3Å; Q410-L414 WeakPolarHBondContact O-CG 3.29Å; Q410-L414 PolarHBondContact O-N 2.93Å; V411-L414 WeakPolarHBondContact O-CB 3.47Å; V411-L414 PolarHBondContact O-N 3.19Å; A412-L414 VanDerWaalsContact C-N 3.26Å; A412-L414 PolarHBondContact O-N 3.39Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.97Å; L414-L418 HydrophobicContact CD2-CD1 4.32Å; L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 WeakPolarHBondContact O-CG 3.42Å; L414-L418 PolarHBondContact O-N 3.47Å; L414-L418 VanDerWaalsContact O-N 3.12Å
415K94.7Very high93.1Very high18 Ų1855.3 Ų55.38%0.07829%0.292CS..Hα-helixtrans-58.6-43.4172.1-71.9178.2-176.8-172.50111.7L336 K339 V411 A412 G419 V420L336-K415 HydrophobicContact CB-CG 4.47Å; L336-K415 WeakPolarHBondContact O-CE 3.23Å; L336-K415 PolarHBondContact O-NZ 2.88Å; K339-K415 PolarHBondContact O-NZ 2.84Å; V411-K415 WeakPolarHBondContact O-CG 3.31Å; V411-K415 PolarHBondContact O-N 3.32Å; A412-K415 WeakPolarHBondContact O-CB 3.33Å; A412-K415 PolarHBondContact O-N 3.15Å; A412-K415 VanDerWaalsContact O-N 3.13Å; K415-G419 PolarHBondContact O-N 3.22Å; K415-G419 VanDerWaalsContact O-N 3.16Å; K415-V420 HydrophobicContact CB-CB 3.88Å; K415-V420 HydrophobicContact CB-CG1 4.39Å; K415-V420 HydrophobicContact CB-CG2 4.2Å; K415-V420 HydrophobicContact CG-CB 4.07Å; K415-V420 HydrophobicContact CG-CG1 4.08Å; K415-V420 HydrophobicContact CG-CG2 4.25Å; K415-V420 PolarHBondContact O-N 3.03Å
416Q94.1Very high93Very high131 Ų13156 Ų5661%0.61230%0.3SS*.Hα-helixtrans-72.2-46.6-178.3-65.7170.916.300112E341 A412 K413 L414 L418 G419E341-Q416 PolarHBondContact OE1-NE2 3.27Å; A412-Q416 WeakPolarHBondContact O-CG 3.36Å; A412-Q416 PolarHBondContact O-N 3.06Å; A412-Q416 VanDerWaalsContact O-N 3.07Å; K413-Q416 PolarHBondContact O-N 3.43Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.97Å; Q416-L418 VanDerWaalsContact C-N 3.27Å; Q416-L418 PolarHBondContact O-N 3.42Å; Q416-G419 PolarHBondContact O-N 3.16Å
417L94.8Very high92.8Very high45 Ų4551.9 Ų51.924%0.23629%0.287CS..Hα-helixtrans-59.2-36.1176.9-75.7172.5000113V374 E377 A378 K413V374-L417 HydrophobicContact CG1-CB 4.45Å; V374-L417 VanDerWaalsContact CG1-O 3.25Å; V374-L417 WeakPolarHBondContact CG1-O 3.47Å; E377-L417 HydrophobicContact CB-CD1 4.25Å; E377-L417 HydrophobicContact CG-CD1 3.93Å; E377-L417 HydrophobicContact CG-CD2 4.49Å; A378-L417 HydrophobicContact CB-CD1 4.46Å; K413-L417 HydrophobicContact CD-CD1 4.39Å; K413-L417 HydrophobicContact CG-CD1 4.13Å; K413-L417 HydrophobicContact CG-CG 4.4Å; K413-L417 WeakPolarHBondContact O-CB 3Å; K413-L417 WeakPolarHBondContact O-CG 3.44Å; K413-L417 PolarHBondContact O-N 3.14Å
418L93.1Very high92.4Very high8 Ų860.6 Ų60.64%0.04233%0.325CS..THydrogen-bonded Turntrans-103.612.2-174.1-57.1171.4000113.1R329 M361 V374 A378 L414 Q416 V420R329-L418 PolarHBondContact NH2-O 3.07Å; M361-L418 HydrophobicContact CE-CB 3.57Å; M361-L418 HydrophobicContact CE-CD1 3.43Å; M361-L418 VanDerWaalsContact CE-CD1 3.43Å; M361-L418 HydrophobicContact CE-CG 4.14Å; V374-L418 HydrophobicContact CG1-CD2 4.23Å; A378-L418 HydrophobicContact CB-CD1 4.28Å; A378-L418 HydrophobicContact CB-CD2 4.11Å; A378-L418 HydrophobicContact CB-CG 4.34Å; L414-L418 HydrophobicContact CD2-CD1 4.32Å; L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 WeakPolarHBondContact O-CG 3.42Å; L414-L418 PolarHBondContact O-N 3.47Å; L414-L418 VanDerWaalsContact O-N 3.12Å; Q416-L418 VanDerWaalsContact C-N 3.27Å; Q416-L418 PolarHBondContact O-N 3.42Å; L418-V420 PolarHBondContact O-N 3.33Å
419G93.5Very high92Very high38 Ų3861.8 Ų61.839%0.39234%0.343SS..THydrogen-bonded Turntrans56.954.6175.300000113.9K415 Q416 E421K415-G419 PolarHBondContact O-N 3.22Å; K415-G419 VanDerWaalsContact O-N 3.16Å; Q416-G419 PolarHBondContact O-N 3.16Å; G419-E421 PolarHBondContact O-N 3.28Å
420V94.1Very high91.9Very high17 Ų1756.6 Ų56.610%0.10332%0.32CS..  trans-8286.7176.3175.30000109.8T333 L336 L337 M361 K415 L418T333-V420 HydrophobicContact CG2-CG1 4.09Å; L336-V420 HydrophobicContact CB-CG1 4.36Å; L336-V420 HydrophobicContact CD1-CG2 4.04Å; L337-V420 HydrophobicContact CD1-CG1 4.31Å; L337-V420 HydrophobicContact CD2-CG1 3.93Å; L337-V420 HydrophobicContact CG-CG1 3.84Å; M361-V420 HydrophobicContact CE-CG2 3.51Å; M361-V420 HydrophobicContact SD-CG2 4.1Å; K415-V420 HydrophobicContact CB-CB 3.88Å; K415-V420 HydrophobicContact CB-CG1 4.39Å; K415-V420 HydrophobicContact CB-CG2 4.2Å; K415-V420 HydrophobicContact CG-CB 4.07Å; K415-V420 HydrophobicContact CG-CG1 4.08Å; K415-V420 HydrophobicContact CG-CG2 4.25Å; K415-V420 PolarHBondContact O-N 3.03Å; L418-V420 PolarHBondContact O-N 3.33Å
421E91.4Very high91.8Very high146 Ų14658.4 Ų58.468%0.68233%0.327SS*.PPolyproline II helixtrans-83.2142.1177.5-66.7-59.8155.300112.6L337 G419L337-E421 WeakPolarHBondContact CD1-O 3.41Å; G419-E421 PolarHBondContact O-N 3.28Å
422P90.4Very high91.8Very high101 Ų10158.3 Ų58.366%0.65633%0.327SS*.PPolyproline II helixtrans-60.3138.6173.2-23.234.2000113.3
423F90.6Very high91.7Very high54 Ų5457.7 Ų57.724%0.23732%0.321CS..PPolyproline II helixtrans-88.2156.6178.850.9-109.1000113.5I334 L337 N425 I432 P433I334-F423 HydrophobicContact CB-CE1 4.23Å; I334-F423 HydrophobicContact CG1-CD1 4.09Å; I334-F423 HydrophobicContact CG1-CE1 3.97Å; I334-F423 HydrophobicContact CG2-CE1 4.07Å; I334-F423 HydrophobicContact CG2-CZ 4.42Å; L337-F423 HydrophobicContact CB-CE1 3.91Å; L337-F423 HydrophobicContact CD1-CD1 3.45Å; L337-F423 VanDerWaalsContact CD1-CD1 3.45Å; L337-F423 HydrophobicContact CD1-CE1 3.64Å; L337-F423 HydrophobicContact CG-CE1 4.45Å; F423-N425 HydrophobicContact CD2-CB 4.05Å; F423-N425 HydrophobicContact CE2-CB 3.97Å; F423-N425 PolarHBondContact O-N 3.27Å; F423-I432 VanDerWaalsContact CE2-C 3.45Å; F423-P433 HydrophobicContact CB-CB 3.94Å; F423-P433 HydrophobicContact CD1-CB 4.33Å; F423-P433 VanDerWaalsContact CD2-CA 3.44Å; F423-P433 HydrophobicContact CD2-CB 3.53Å; F423-P433 HydrophobicContact CD2-CG 4.49Å; F423-P433 HydrophobicContact CE2-CB 4.08Å; F423-P433 HydrophobicContact CG-CB 3.68Å; F423-P433 HydrophobicContact CG-CG 4.48Å
424P89.7Confident91.5Very high100 Ų10056.1 Ų56.165%0.64932%0.316SS*.PPolyproline II helixtrans-59.7126.9165.8-22.934.5000111.8P433 D434P424-P433 WeakPolarHBondContact O-CA 3.43Å; P424-D434 PolarHBondContact O-N 3.15Å
425N90.6Very high91.2Very high51 Ų5158.5 Ų58.527%0.27333%0.333SS..  trans-142.8107175.5179.69.3000109.4F423 D427 S430 D434F423-N425 HydrophobicContact CD2-CB 4.05Å; F423-N425 HydrophobicContact CE2-CB 3.97Å; F423-N425 PolarHBondContact O-N 3.27Å; N425-D427 PolarHBondContact O-N 2.91Å; N425-D427 PolarHBondContact OD1-N 2.8Å; N425-D427 PolarHBondContact OD1-O 3.16Å; N425-S430 PolarHBondContact ND2-O 3.31Å; N425-D434 WeakPolarHBondContact CA-OD2 3.48Å; N425-D434 PolarHBondContact N-OD2 2.81Å
426S88.6Confident91Very high93 Ų9357.8 Ų57.865%0.6533%0.33SS*.SBendtrans-67.6-20.9176.459.70000113.7D434S426-D434 WeakPolarHBondContact CB-OD1 3.46Å; S426-D434 VanDerWaalsContact N-CG 3.34Å; S426-D434 PolarHBondContact N-OD1 2.79Å; S426-D434 PolarHBondContact N-OD2 2.95Å; S426-D434 PolarHBondContact OG-OD1 3.18Å
427D88.6Confident90.3Very high31 Ų3154.8 Ų54.817%0.16631%0.313CS..SBendtrans-11288.9-166.3-173.533.9000112.8K75 Y291 N425 G429 S430 R437K75-D427 IonicContact NZ-OD1 3.86Å; K75-D427 PolarHBondContact NZ-OD1 2.69Å; K75-D427 IonicContact NZ-OD2 2.68Å; Y291-D427 WeakPolarHBondContact CE1-OD2 3.21Å; Y291-D427 PolarHBondContact OH-OD2 2.93Å; N425-D427 PolarHBondContact O-N 2.91Å; N425-D427 PolarHBondContact OD1-N 2.8Å; N425-D427 PolarHBondContact OD1-O 3.16Å; D427-G429 PolarHBondContact O-N 3.23Å; D427-S430 WeakPolarHBondContact O-CB 3.02Å; D427-S430 PolarHBondContact O-N 2.66Å; D427-S430 VanDerWaalsContact O-N 3.1Å; D427-R437 VanDerWaalsContact CB-NH1 3.31Å; D427-R437 IonicContact OD2-CZ 3.27Å; D427-R437 IonicContact OD2-NH1 2.69Å; D427-R437 PolarHBondContact OD2-NH1 3.41Å; D427-R437 IonicContact OD2-NH2 2.7Å; D427-R437 PolarHBondContact OD2-NH2 2.95Å
428K86.2Confident88.7Confident183 Ų18358.9 Ų58.980%0.79634%0.335SS*.THydrogen-bonded Turntrans-54.8128.4-179.9-64.4-176.6179.1-178.50111.5K75K75-K428 WeakPolarHBondContact CD-O 3.09Å; K75-K428 PolarHBondContact NZ-O 2.97Å
429G85.5Confident87.2Confident48 Ų4860.8 Ų60.850%0.49535%0.345SS..THydrogen-bonded Turntrans97.8-5.7-17700000114.7D427D427-G429 PolarHBondContact O-N 3.23Å
430S91.6Very high85.4Confident10 Ų1068 Ų687%0.0737%0.366CS..  trans-95.9152.6170.9-173.50000112.8Q290 N425 D427 I432 R437Q290-S430 WeakPolarHBondContact CB-OG 3.42Å; Q290-S430 WeakPolarHBondContact O-CA 3.35Å; Q290-S430 PolarHBondContact O-OG 3.29Å; Q290-S430 PolarHBondContact OE1-OG 2.94Å; N425-S430 PolarHBondContact ND2-O 3.31Å; D427-S430 WeakPolarHBondContact O-CB 3.02Å; D427-S430 PolarHBondContact O-N 2.66Å; D427-S430 VanDerWaalsContact O-N 3.1Å; S430-I432 PolarHBondContact OG-N 2.85Å; S430-R437 PolarHBondContact OG-NH2 3.16Å
431F93.4Very high83.7Confident62 Ų6272 Ų7227%0.27239%0.386SS..SBendtrans-100.213.4178.9-57.3-85.4000113.9Q290 V296 T338Q290-F431 PolarHBondContact O-N 3.34Å; V296-F431 HydrophobicContact CB-CB 4.31Å; V296-F431 HydrophobicContact CG1-CB 4.14Å; V296-F431 HydrophobicContact CG2-CB 4.2Å; T338-F431 HydrophobicContact CG2-CB 4.27Å; T338-F431 WeakPolarHBondContact O-CE1 3.43Å
432I93.8Very high82.1Confident0 Ų066.3 Ų66.30%036%0.363CS..SBendtrans-119.8147.9-176.978.9173.1000111.7V286 V287 Q290 V296 F423 S430 R437V286-I432 HydrophobicContact CG1-CB 4.45Å; V286-I432 HydrophobicContact CG1-CG2 3.49Å; V286-I432 VanDerWaalsContact CG1-CG2 3.49Å; V287-I432 HydrophobicContact CG2-CD1 4.35Å; Q290-I432 HydrophobicContact CB-CD1 3.75Å; Q290-I432 HydrophobicContact CB-CG1 4.04Å; Q290-I432 HydrophobicContact CB-CG2 3.77Å; Q290-I432 HydrophobicContact CG-CD1 4.5Å; V296-I432 HydrophobicContact CG1-CG2 4.11Å; V296-I432 HydrophobicContact CG2-CG2 4.1Å; F423-I432 VanDerWaalsContact CE2-C 3.45Å; S430-I432 PolarHBondContact OG-N 2.85Å; I432-R437 HydrophobicContact CD1-CG 4.27Å
433P93.3Very high80.8Confident3 Ų367.4 Ų67.42%0.01937%0.373CS..  trans-72.7162.2175.930.6-37.4000112.7I334 F423 P424 S435 Y436I334-P433 HydrophobicContact CD1-CG 3.61Å; I334-P433 HydrophobicContact CG1-CG 4.03Å; F423-P433 HydrophobicContact CB-CB 3.94Å; F423-P433 HydrophobicContact CD1-CB 4.33Å; F423-P433 VanDerWaalsContact CD2-CA 3.44Å; F423-P433 HydrophobicContact CD2-CB 3.53Å; F423-P433 HydrophobicContact CD2-CG 4.49Å; F423-P433 HydrophobicContact CE2-CB 4.08Å; F423-P433 HydrophobicContact CG-CB 3.68Å; F423-P433 HydrophobicContact CG-CG 4.48Å; P424-P433 WeakPolarHBondContact O-CA 3.43Å; P433-S435 WeakPolarHBondContact CG-OG 3.48Å; P433-S435 PolarHBondContact O-N 2.67Å; P433-Y436 HydrophobicContact CG-CD2 3.62Å; P433-Y436 HydrophobicContact CG-CE2 4.13Å; P433-Y436 HydrophobicContact CG-CG 4.18Å; P433-Y436 PolarHBondContact O-N 3.26Å
434D90.1Very high80.2Confident40 Ų4065.9 Ų65.921%0.21437%0.368CS..Hα-helixtrans-59.9-24.9171.6-64.2-41.6000112.5P424 N425 S426 Y436 R437 N438P424-D434 PolarHBondContact O-N 3.15Å; N425-D434 WeakPolarHBondContact CA-OD2 3.48Å; N425-D434 PolarHBondContact N-OD2 2.81Å; S426-D434 WeakPolarHBondContact CB-OD1 3.46Å; S426-D434 VanDerWaalsContact N-CG 3.34Å; S426-D434 PolarHBondContact N-OD1 2.79Å; S426-D434 PolarHBondContact N-OD2 2.95Å; S426-D434 PolarHBondContact OG-OD1 3.18Å; D434-Y436 PolarHBondContact O-N 2.71Å; D434-R437 PolarHBondContact O-N 3.01Å; D434-R437 VanDerWaalsContact O-N 3.1Å; D434-R437 WeakPolarHBondContact OD1-CD 3.37Å; D434-R437 IonicContact OD1-NE 3.78Å; D434-N438 PolarHBondContact O-ND2 2.95Å
435S87.9Confident79.7Confident50 Ų5068.1 Ų68.135%0.3538%0.375SS..Hα-helixtrans-61-24.8173.9610000113.7E330 P433E330-S435 PolarHBondContact OE1-OG 3.44Å; P433-S435 WeakPolarHBondContact CG-OG 3.48Å; P433-S435 PolarHBondContact O-N 2.67Å
436Y89.1Confident79.6Confident3 Ų367.2 Ų67.21%0.01237%0.368CS..Hα-helixtrans-90.7-16.5177.6-79.6-135.5000112.3K283 V286 V287 V300 Q303 I334 P433 D434K283-Y436 HydrophobicContact CD-CD1 4.5Å; K283-Y436 HydrophobicContact CG-CD1 3.76Å; K283-Y436 HydrophobicContact CG-CE1 3.66Å; V286-Y436 HydrophobicContact CB-CD1 4.45Å; V286-Y436 HydrophobicContact CG1-CD1 3.89Å; V286-Y436 HydrophobicContact CG1-CE1 4.08Å; V287-Y436 WeakPolarHBondContact CG2-O 3.36Å; V300-Y436 HydrophobicContact CG1-CE1 4.43Å; Q303-Y436 PolarHBondContact NE2-OH 3.39Å; Q303-Y436 PolarHBondContact OE1-OH 2.91Å; I334-Y436 HydrophobicContact CD1-CD2 4.08Å; I334-Y436 HydrophobicContact CD1-CE1 4.17Å; I334-Y436 HydrophobicContact CD1-CE2 3.36Å; I334-Y436 WeakPolarHBondContact CD1-OH 3.3Å; P433-Y436 HydrophobicContact CG-CD2 3.62Å; P433-Y436 HydrophobicContact CG-CE2 4.13Å; P433-Y436 HydrophobicContact CG-CG 4.18Å; P433-Y436 PolarHBondContact O-N 3.26Å; D434-Y436 PolarHBondContact O-N 2.71Å
437R79.3Confident79.7Confident67 Ų6765.6 Ų65.625%0.25335%0.354SS..Hα-helixtrans-81.4-18.8178.7-60.7179.8179.9-77.6-28.5114Q290 D427 S430 I432 D434 D439Q290-R437 VanDerWaalsContact OE1-CZ 3.31Å; D427-R437 VanDerWaalsContact CB-NH1 3.31Å; D427-R437 IonicContact OD2-CZ 3.27Å; D427-R437 IonicContact OD2-NH1 2.69Å; D427-R437 PolarHBondContact OD2-NH1 3.41Å; D427-R437 IonicContact OD2-NH2 2.7Å; D427-R437 PolarHBondContact OD2-NH2 2.95Å; S430-R437 PolarHBondContact OG-NH2 3.16Å; I432-R437 HydrophobicContact CD1-CG 4.27Å; D434-R437 PolarHBondContact O-N 3.01Å; D434-R437 VanDerWaalsContact O-N 3.1Å; D434-R437 WeakPolarHBondContact OD1-CD 3.37Å; D434-R437 IonicContact OD1-NE 3.78Å; R437-D439 VanDerWaalsContact C-N 3.27Å; R437-D439 PolarHBondContact O-N 3.3Å
438N62Low79.8Confident131 Ų13168.1 Ų68.170%0.70137%0.367SS*.SBendtrans-74.7-17.1-178.5-67.3-41.7000113.1D434 K440D434-N438 PolarHBondContact O-ND2 2.95Å; N438-K440 PolarHBondContact O-N 3.15Å; N438-K440 VanDerWaalsContact O-N 3.09Å
439D61.5Low79.9Confident49 Ų4965.3 Ų65.326%0.26236%0.357SS..SBendtrans-70.698.7164.4-67.628.4000107.2Q280 K283 M284 R437Q280-D439 PolarHBondContact NE2-OD2 2.74Å; K283-D439 WeakPolarHBondContact CE-OD2 3.48Å; K283-D439 IonicContact NZ-OD1 3.15Å; K283-D439 PolarHBondContact NZ-OD1 2.7Å; K283-D439 IonicContact NZ-OD2 2.76Å; K283-D439 PolarHBondContact NZ-OD2 2.7Å; M284-D439 HydrophobicContact SD-CB 4.43Å; R437-D439 VanDerWaalsContact C-N 3.27Å; R437-D439 PolarHBondContact O-N 3.3Å
440K55.3Low80.1Confident189 Ų18964.1 Ų64.182%0.82235%0.345SS*.  trans-55.6140.7174.3-66.9-177.1178.5-178.30109.8N438 S442N438-K440 PolarHBondContact O-N 3.15Å; N438-K440 VanDerWaalsContact O-N 3.09Å; K440-S442 PolarHBondContact O-N 3.24Å
441D58.4Low80.1Confident100 Ų10063.7 Ų63.754%0.53534%0.342SS..  trans-46.4114.4163.3-102.9-50000108.5Y288 S443Y288-D441 VanDerWaalsContact CE1-OD1 3.23Å; Y288-D441 WeakPolarHBondContact CE1-OD1 3.39Å; Y288-D441 VanDerWaalsContact CZ-OD1 3.25Å; Y288-D441 PolarHBondContact OH-OD1 2.89Å; D441-S443 PolarHBondContact O-N 3.04Å
442S58.5Low80Confident27 Ų2763.1 Ų63.119%0.18935%0.346CS..  trans-64122.5178.936.50000108.7S265 L266 K440 V444S265-S442 WeakPolarHBondContact O-CB 3.33Å; L266-S442 PolarHBondContact O-OG 2.87Å; K440-S442 PolarHBondContact O-N 3.24Å; S442-V444 WeakPolarHBondContact O-CG2 3.36Å; S442-V444 PolarHBondContact O-N 3.04Å
443S63.2Low79.7Confident125 Ų12568.7 Ų68.787%0.87437%0.37SS*.  trans-77.269.9177.960.60000110.1D441D441-S443 PolarHBondContact O-N 3.04Å
444V78.7Confident79.4Confident22 Ų2269.5 Ų69.513%0.13337%0.374CS..  trans-75.6129.5-174.6-162.80000110.6L266 S442 F446L266-V444 HydrophobicContact CB-CG2 4.25Å; L266-V444 HydrophobicContact CD1-CG2 3.89Å; S442-V444 WeakPolarHBondContact O-CG2 3.36Å; S442-V444 PolarHBondContact O-N 3.04Å; V444-F446 HydrophobicContact CB-CD2 4.15Å; V444-F446 HydrophobicContact CB-CE2 4.28Å; V444-F446 HydrophobicContact CB-CG 4.45Å; V444-F446 HydrophobicContact CG1-CD1 3.73Å; V444-F446 HydrophobicContact CG1-CD2 3.58Å; V444-F446 HydrophobicContact CG1-CE1 3.58Å; V444-F446 HydrophobicContact CG1-CE2 3.47Å; V444-F446 VanDerWaalsContact CG1-CE2 3.47Å; V444-F446 HydrophobicContact CG1-CG 3.73Å; V444-F446 HydrophobicContact CG1-CZ 3.46Å; V444-F446 VanDerWaalsContact CG1-CZ 3.46Å; V444-F446 PolarHBondContact O-N 2.93Å
445N78.6Confident79.2Confident147 Ų14768.4 Ų68.479%0.78637%0.368SS*.  trans-84.453.5-177.9-168.527.3000112.3
446F88.9Confident78.9Confident32 Ų3270.2 Ų70.214%0.1437%0.371CS..  trans-86.6125.4175.2-68.7-26.3000110.4W216 V220 Y223 V444W216-F446 AromaticContact CH2-CZ 3.83Å; W216-F446 HydrophobicContact CH2-CZ 3.83Å; W216-F446 AromaticContact CZ2-CE1 3.97Å; W216-F446 HydrophobicContact CZ2-CE1 3.97Å; W216-F446 AromaticContact CZ2-CZ 3.45Å; W216-F446 HydrophobicContact CZ2-CZ 3.45Å; W216-F446 VanDerWaalsContact CZ2-CZ 3.45Å; V220-F446 HydrophobicContact CB-CD2 4.46Å; V220-F446 HydrophobicContact CB-CG 4.3Å; V220-F446 HydrophobicContact CG1-CB 4.03Å; V220-F446 HydrophobicContact CG1-CD1 4.28Å; V220-F446 HydrophobicContact CG1-CG 4.13Å; V220-F446 HydrophobicContact CG2-CD1 3.99Å; V220-F446 HydrophobicContact CG2-CD2 4.21Å; V220-F446 HydrophobicContact CG2-CE1 4Å; V220-F446 HydrophobicContact CG2-CE2 4.2Å; V220-F446 HydrophobicContact CG2-CG 4.11Å; V220-F446 HydrophobicContact CG2-CZ 4.1Å; Y223-F446 AromaticContact CD2-CD2 3.71Å; Y223-F446 HydrophobicContact CD2-CD2 3.71Å; Y223-F446 HydrophobicContact CD2-CE2 4.04Å; Y223-F446 AromaticContact CG-CD2 3.98Å; Y223-F446 HydrophobicContact CG-CD2 3.98Å; V444-F446 HydrophobicContact CB-CD2 4.15Å; V444-F446 HydrophobicContact CB-CE2 4.28Å; V444-F446 HydrophobicContact CB-CG 4.45Å; V444-F446 HydrophobicContact CG1-CD1 3.73Å; V444-F446 HydrophobicContact CG1-CD2 3.58Å; V444-F446 HydrophobicContact CG1-CE1 3.58Å; V444-F446 HydrophobicContact CG1-CE2 3.47Å; V444-F446 VanDerWaalsContact CG1-CE2 3.47Å; V444-F446 HydrophobicContact CG1-CG 3.73Å; V444-F446 HydrophobicContact CG1-CZ 3.46Å; V444-F446 VanDerWaalsContact CG1-CZ 3.46Å; V444-F446 PolarHBondContact O-N 2.93Å
447T89.8Confident78.2Confident58 Ų5876.1 Ų76.136%0.35639%0.393SS..  trans-119.2157.2-174.369.50000111.5E449 G450 F451T447-E449 PolarHBondContact O-N 3.38Å; T447-G450 WeakPolarHBondContact O-CA 3.43Å; T447-G450 PolarHBondContact O-N 3.17Å; T447-G450 PolarHBondContact OG1-N 2.82Å; T447-G450 VanDerWaalsContact OG1-N 3.11Å; T447-F451 PolarHBondContact O-N 3.38Å
448L90.3Very high77.9Confident84 Ų8474.9 Ų74.944%0.4439%0.39SS..Hα-helixtrans-59.7-36.1175178.656.8000111.8V188 G450 F451 S452V188-L448 HydrophobicContact CB-CD1 4.42Å; V188-L448 HydrophobicContact CG1-CD1 3.96Å; V188-L448 HydrophobicContact CG2-CD1 3.51Å; V188-L448 HydrophobicContact CG2-CD2 4.45Å; L448-G450 VanDerWaalsContact C-N 3.33Å; L448-G450 PolarHBondContact O-N 3.41Å; L448-F451 HydrophobicContact CD1-CD1 4.44Å; L448-F451 PolarHBondContact O-N 3.43Å; L448-S452 WeakPolarHBondContact O-CB 3.46Å; L448-S452 PolarHBondContact O-N 3.22Å; L448-S452 PolarHBondContact O-OG 3.06Å; L448-S452 VanDerWaalsContact O-OG 3.13Å
449E89.8Confident78.2Confident125 Ų12573.1 Ų73.158%0.58438%0.377SS*.Hα-helixtrans-64-38.1174.2-163.8-165.4159.500111.9T447 K453T447-E449 PolarHBondContact O-N 3.38Å; E449-K453 WeakPolarHBondContact O-CB 3.22Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 2.79Å; E449-K453 PolarHBondContact O-N 3.18Å; E449-K453 WeakPolarHBondContact OE1-CE 3.08Å; E449-K453 IonicContact OE1-NZ 2.74Å; E449-K453 PolarHBondContact OE1-NZ 2.77Å
450G88.3Confident78.1Confident23 Ų2376.8 Ų76.824%0.23739%0.391CS..Hα-helixtrans-63.4-46.7172.800000112.3T447 L448 S452 K453 I454T447-G450 WeakPolarHBondContact O-CA 3.43Å; T447-G450 PolarHBondContact O-N 3.17Å; T447-G450 PolarHBondContact OG1-N 2.82Å; T447-G450 VanDerWaalsContact OG1-N 3.11Å; L448-G450 VanDerWaalsContact C-N 3.33Å; L448-G450 PolarHBondContact O-N 3.41Å; G450-S452 PolarHBondContact O-N 3.23Å; G450-K453 PolarHBondContact O-N 3.06Å; G450-I454 WeakPolarHBondContact O-CG1 3.49Å; G450-I454 PolarHBondContact O-N 3.04Å
451F92.6Very high77.9Confident0 Ų072.3 Ų72.30%037%0.37CS..Hα-helixtrans-60.1-46.2175.4-176.3-124.8000111.8V188 Q191 A192 V195 A217 V220 T447 L448 K453 I454 L455V188-F451 HydrophobicContact CG1-CD1 3.95Å; V188-F451 HydrophobicContact CG1-CE1 3.97Å; Q191-F451 HydrophobicContact CB-CE1 3.96Å; Q191-F451 HydrophobicContact CB-CZ 4.06Å; A192-F451 HydrophobicContact CB-CZ 4.31Å; V195-F451 HydrophobicContact CG2-CZ 4.44Å; A217-F451 WeakPolarHBondContact O-CD2 3.12Å; A217-F451 VanDerWaalsContact O-CE2 3.24Å; A217-F451 WeakPolarHBondContact O-CE2 3.22Å; V220-F451 HydrophobicContact CG1-CB 4.12Å; T447-F451 PolarHBondContact O-N 3.38Å; L448-F451 HydrophobicContact CD1-CD1 4.44Å; L448-F451 PolarHBondContact O-N 3.43Å; F451-K453 PolarHBondContact O-N 2.93Å; F451-I454 PolarHBondContact O-N 2.62Å; F451-L455 HydrophobicContact CD1-CD1 4.13Å; F451-L455 HydrophobicContact CD2-CG 4.47Å; F451-L455 HydrophobicContact CE1-CD1 3.69Å; F451-L455 HydrophobicContact CE1-CG 4.36Å; F451-L455 HydrophobicContact CE2-CD1 4.37Å; F451-L455 HydrophobicContact CE2-CD2 4.23Å; F451-L455 HydrophobicContact CE2-CG 4.2Å; F451-L455 HydrophobicContact CZ-CD1 3.83Å; F451-L455 HydrophobicContact CZ-CD2 4.22Å; F451-L455 HydrophobicContact CZ-CG 4.14Å; F451-L455 WeakPolarHBondContact O-CG 3.42Å; F451-L455 PolarHBondContact O-N 3.45Å
452S90.2Very high77.7Confident51 Ų5170.5 Ų70.536%0.35736%0.358SS..Hα-helixtrans-60.5-41.6176.1-66.20000112.9L448 G450 I454 L455 E456L448-S452 WeakPolarHBondContact O-CB 3.46Å; L448-S452 PolarHBondContact O-N 3.22Å; L448-S452 PolarHBondContact O-OG 3.06Å; L448-S452 VanDerWaalsContact O-OG 3.13Å; G450-S452 PolarHBondContact O-N 3.23Å; S452-I454 VanDerWaalsContact C-N 3.35Å; S452-I454 PolarHBondContact O-N 3Å; S452-L455 PolarHBondContact O-N 3.14Å; S452-E456 WeakPolarHBondContact O-CB 3.41Å; S452-E456 PolarHBondContact O-N 2.94Å
453K88Confident77.1Confident117 Ų11771.1 Ų71.151%0.50937%0.365SS..Hα-helixtrans-62.8-39.6175.6-76.3168.3-176.7168.80112.5E449 G450 F451 E456 R457E449-K453 WeakPolarHBondContact O-CB 3.22Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 2.79Å; E449-K453 PolarHBondContact O-N 3.18Å; E449-K453 WeakPolarHBondContact OE1-CE 3.08Å; E449-K453 IonicContact OE1-NZ 2.74Å; E449-K453 PolarHBondContact OE1-NZ 2.77Å; G450-K453 PolarHBondContact O-N 3.06Å; F451-K453 PolarHBondContact O-N 2.93Å; K453-E456 PolarHBondContact O-N 3.36Å; K453-R457 WeakPolarHBondContact O-CB 3.2Å; K453-R457 PolarHBondContact O-N 3.3Å
454I86.6Confident75.6Confident19 Ų1969.1 Ų69.110%0.09735%0.35CS..Hα-helixtrans-66.1-44.6175.6-68.4166.6000110.3A217 V220 G450 F451 S452 R457 F458A217-I454 HydrophobicContact CB-CG2 3.55Å; V220-I454 HydrophobicContact CB-CD1 4.35Å; V220-I454 HydrophobicContact CG1-CD1 4.23Å; V220-I454 HydrophobicContact CG2-CD1 4.04Å; G450-I454 WeakPolarHBondContact O-CG1 3.49Å; G450-I454 PolarHBondContact O-N 3.04Å; F451-I454 PolarHBondContact O-N 2.62Å; S452-I454 VanDerWaalsContact C-N 3.35Å; S452-I454 PolarHBondContact O-N 3Å; I454-R457 WeakPolarHBondContact O-CB 3.5Å; I454-R457 PolarHBondContact O-N 2.88Å; I454-F458 HydrophobicContact CG2-CD2 3.92Å; I454-F458 HydrophobicContact CG2-CE2 3.44Å; I454-F458 VanDerWaalsContact CG2-CE2 3.44Å; I454-F458 HydrophobicContact CG2-CZ 4.4Å; I454-F458 WeakPolarHBondContact O-CD2 3.2Å; I454-F458 PolarHBondContact O-N 3.33Å; I454-F458 VanDerWaalsContact O-N 3.1Å
455L85.5Confident73.4Confident18 Ų1869.6 Ų69.69%0.09435%0.352CS..Hα-helixtrans-61.4-43.3173.8-69.8-175.1000112.4I170 V195 F451 S452 R457 F458 Q459I170-L455 HydrophobicContact CG2-CD2 3.95Å; V195-L455 HydrophobicContact CG2-CD2 3.74Å; F451-L455 HydrophobicContact CD1-CD1 4.13Å; F451-L455 HydrophobicContact CD2-CG 4.47Å; F451-L455 HydrophobicContact CE1-CD1 3.69Å; F451-L455 HydrophobicContact CE1-CG 4.36Å; F451-L455 HydrophobicContact CE2-CD1 4.37Å; F451-L455 HydrophobicContact CE2-CD2 4.23Å; F451-L455 HydrophobicContact CE2-CG 4.2Å; F451-L455 HydrophobicContact CZ-CD1 3.83Å; F451-L455 HydrophobicContact CZ-CD2 4.22Å; F451-L455 HydrophobicContact CZ-CG 4.14Å; F451-L455 WeakPolarHBondContact O-CG 3.42Å; F451-L455 PolarHBondContact O-N 3.45Å; S452-L455 PolarHBondContact O-N 3.14Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 3.25Å; L455-F458 PolarHBondContact O-N 3.5Å; L455-Q459 WeakPolarHBondContact O-CB 3.47Å; L455-Q459 PolarHBondContact O-N 2.87Å
456E82Confident71.3Confident88 Ų8864.4 Ų64.441%0.41133%0.327SS..Hα-helixtrans-60-38.2173.6-84.6-172-132.200112.1S452 K453 Q459 K460S452-E456 WeakPolarHBondContact O-CB 3.41Å; S452-E456 PolarHBondContact O-N 2.94Å; K453-E456 PolarHBondContact O-N 3.36Å; E456-Q459 PolarHBondContact O-N 2.79Å; E456-K460 VanDerWaalsContact O-CB 3.3Å; E456-K460 WeakPolarHBondContact O-CB 3.4Å; E456-K460 WeakPolarHBondContact O-CD 3.32Å; E456-K460 WeakPolarHBondContact O-CG 3.17Å; E456-K460 PolarHBondContact O-N 2.75Å; E456-K460 WeakPolarHBondContact OE2-CE 3.12Å; E456-K460 IonicContact OE2-NZ 3.52Å; E456-K460 PolarHBondContact OE2-NZ 2.8Å
457R75.6Confident68.5Low126 Ų12668.6 Ų68.648%0.47535%0.347SS..Hα-helixtrans-63.4-46.9176.7-175.6176.7171.6-174.1-7110.7N258 D260 K453 I454 L455 K460 Y461N258-R457 PolarHBondContact OD1-NH1 3.42Å; D260-R457 IonicContact OD2-CZ 2.69Å; D260-R457 IonicContact OD2-NH1 2.76Å; D260-R457 PolarHBondContact OD2-NH1 3.16Å; K453-R457 WeakPolarHBondContact O-CB 3.2Å; K453-R457 PolarHBondContact O-N 3.3Å; I454-R457 WeakPolarHBondContact O-CB 3.5Å; I454-R457 PolarHBondContact O-N 2.88Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 3.25Å; R457-K460 PolarHBondContact O-N 3.34Å; R457-Y461 PolarHBondContact O-N 3.1Å
458F72.6Confident65.5Low41 Ų4169.2 Ų69.218%0.1836%0.358CS..Hα-helixtrans-66.6-34173.8-66.2-57000113.1E213 L214 A217 I454 L455 H462E213-F458 HydrophobicContact CB-CZ 4.06Å; L214-F458 HydrophobicContact CD2-CD1 4.35Å; L214-F458 HydrophobicContact CD2-CD2 3.97Å; L214-F458 HydrophobicContact CD2-CE1 4.12Å; L214-F458 HydrophobicContact CD2-CE2 3.7Å; L214-F458 HydrophobicContact CD2-CG 4.3Å; L214-F458 HydrophobicContact CD2-CZ 3.79Å; L214-F458 HydrophobicContact CG-CZ 4.47Å; A217-F458 HydrophobicContact CB-CE2 3.99Å; I454-F458 HydrophobicContact CG2-CD2 3.92Å; I454-F458 HydrophobicContact CG2-CE2 3.44Å; I454-F458 VanDerWaalsContact CG2-CE2 3.44Å; I454-F458 HydrophobicContact CG2-CZ 4.4Å; I454-F458 WeakPolarHBondContact O-CD2 3.2Å; I454-F458 PolarHBondContact O-N 3.33Å; I454-F458 VanDerWaalsContact O-N 3.1Å; L455-F458 PolarHBondContact O-N 3.5Å; F458-H462 WeakPolarHBondContact O-CB 3.17Å; F458-H462 PolarHBondContact O-N 3.43Å; F458-H462 VanDerWaalsContact O-N 3.09Å
459Q68.8Low62.8Low94 Ų9468.7 Ų68.744%0.43936%0.358SS..Hα-helixtrans-69.2-40.1174.7-167.8176.60.700111.7Y171 L455 E456 H462 A463Y171-Q459 HydrophobicContact CD1-CB 4.14Å; Y171-Q459 HydrophobicContact CD1-CG 3.86Å; Y171-Q459 HydrophobicContact CE1-CB 3.66Å; Y171-Q459 HydrophobicContact CE1-CG 3.76Å; L455-Q459 WeakPolarHBondContact O-CB 3.47Å; L455-Q459 PolarHBondContact O-N 2.87Å; E456-Q459 PolarHBondContact O-N 2.79Å; Q459-H462 PolarHBondContact O-N 3.39Å; Q459-A463 WeakPolarHBondContact O-CB 3.35Å; Q459-A463 PolarHBondContact O-N 3.44Å
460K58.9Low60Low126 Ų12668.9 Ų68.955%0.54836%0.357SS..Hα-helixtrans-69.1-35.9177.1-74.4162.5-171.1164.90111.8E456 R457 S464E456-K460 VanDerWaalsContact O-CB 3.3Å; E456-K460 WeakPolarHBondContact O-CB 3.4Å; E456-K460 WeakPolarHBondContact O-CD 3.32Å; E456-K460 WeakPolarHBondContact O-CG 3.17Å; E456-K460 PolarHBondContact O-N 2.75Å; E456-K460 WeakPolarHBondContact OE2-CE 3.12Å; E456-K460 IonicContact OE2-NZ 3.52Å; E456-K460 PolarHBondContact OE2-NZ 2.8Å; R457-K460 PolarHBondContact O-N 3.34Å; K460-S464 WeakPolarHBondContact O-CB 3.3Å; K460-S464 PolarHBondContact O-N 3.47Å
461Y51.1Low57.1Low96 Ų9672.1 Ų72.138%0.37638%0.376SS..Hα-helixtrans-58.3-57.3169.5-173.3-105.1000110.7R457 A463 S464 L465 Y948 D949R457-Y461 PolarHBondContact O-N 3.1Å; Y461-A463 VanDerWaalsContact C-N 3.34Å; Y461-A463 PolarHBondContact O-N 3.31Å; Y461-S464 PolarHBondContact O-N 3.09Å; Y461-L465 HydrophobicContact CD1-CD1 3.72Å; Y461-L465 HydrophobicContact CE1-CD1 3.51Å; Y461-L465 HydrophobicContact CG-CD1 4.31Å; Y461-L465 VanDerWaalsContact O-CG 3.26Å; Y461-L465 WeakPolarHBondContact O-CG 3.3Å; Y461-L465 PolarHBondContact O-N 3.2Å; Y461-Y948 AromaticContact CE1-CE1 3.87Å; Y461-Y948 HydrophobicContact CE1-CE1 3.87Å; Y461-D949 PolarHBondContact OH-OD1 2.99Å
462H53.7Low54.2Low62 Ų6280.3 Ų80.329%0.28741%0.412SS..Hα-helixtrans-62-37.3178.7-171.924.3000113Y171 F458 Q459 C466 E951Y171-H462 AromaticContact CE2-CD2 3.75Å; F458-H462 WeakPolarHBondContact O-CB 3.17Å; F458-H462 PolarHBondContact O-N 3.43Å; F458-H462 VanDerWaalsContact O-N 3.09Å; Q459-H462 PolarHBondContact O-N 3.39Å; H462-C466 VanDerWaalsContact O-CB 3.24Å; H462-C466 WeakPolarHBondContact O-CB 3.48Å; H462-C466 PolarHBondContact O-N 3.46Å; H462-C466 PolarHBondContact O-SG 3.27Å; H462-E951 IonicContact CE1-OE1 2.77Å; H462-E951 PolarHBondContact CE1-OE1 3.06Å; H462-E951 IonicContact ND1-OE1 3.3Å; H462-E951 PolarHBondContact ND1-OE1 3.38Å
463A46Very low51.3Low40 Ų4087.1 Ų87.133%0.33144%0.435SS..Hα-helixtrans-71.7-39.4178.300000112.5Q459 Y461 L465 C466 E467Q459-A463 WeakPolarHBondContact O-CB 3.35Å; Q459-A463 PolarHBondContact O-N 3.44Å; Y461-A463 VanDerWaalsContact C-N 3.34Å; Y461-A463 PolarHBondContact O-N 3.31Å; A463-L465 VanDerWaalsContact C-N 3.3Å; A463-L465 PolarHBondContact O-N 3.06Å; A463-C466 CarbonylContact O-C 3.52Å; A463-C466 PolarHBondContact O-N 2.98Å; A463-E467 WeakPolarHBondContact O-CB 3.17Å; A463-E467 WeakPolarHBondContact O-CG 3.45Å; A463-E467 PolarHBondContact O-N 3.25Å
464S30.8Very low48.3Very low82 Ų8290.5 Ų90.557%0.57345%0.452SS*.Hα-helixtrans-65.6-35.8175.3-174.10000111.6K460 Y461 E467 A468K460-S464 WeakPolarHBondContact O-CB 3.3Å; K460-S464 PolarHBondContact O-N 3.47Å; Y461-S464 PolarHBondContact O-N 3.09Å; S464-E467 PolarHBondContact O-N 3.2Å; S464-A468 PolarHBondContact O-N 3.46Å; S464-A468 VanDerWaalsContact O-N 3.12Å
465L34.2Very low45.4Very low32 Ų3296.1 Ų96.117%0.16849%0.488CS..Hα-helixtrans-67.5-49.4172-68.3168.4000110.8Y461 A463 E467 A468 T469 D949 E951Y461-L465 HydrophobicContact CD1-CD1 3.72Å; Y461-L465 HydrophobicContact CE1-CD1 3.51Å; Y461-L465 HydrophobicContact CG-CD1 4.31Å; Y461-L465 VanDerWaalsContact O-CG 3.26Å; Y461-L465 WeakPolarHBondContact O-CG 3.3Å; Y461-L465 PolarHBondContact O-N 3.2Å; A463-L465 VanDerWaalsContact C-N 3.3Å; A463-L465 PolarHBondContact O-N 3.06Å; L465-E467 PolarHBondContact O-N 2.73Å; L465-E467 VanDerWaalsContact O-N 3.11Å; L465-A468 PolarHBondContact O-N 3.17Å; L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.85Å; L465-D949 VanDerWaalsContact CD2-O 3.25Å; L465-D949 WeakPolarHBondContact CD2-O 3.37Å; L465-E951 VanDerWaalsContact CB-CD 3.42Å; L465-E951 HydrophobicContact CB-CG 3.46Å; L465-E951 VanDerWaalsContact CB-CG 3.46Å; L465-E951 WeakPolarHBondContact CB-OE1 3.49Å; L465-E951 HydrophobicContact CD1-CG 4.17Å; L465-E951 HydrophobicContact CG-CG 4.28Å
466C33.8Very low42.7Very low38 Ų38102.7 Ų102.726%0.25752%0.518SS..Hα-helixtrans-59.4-17172.1-75.40000114.7H462 A463 T469 K470 E951H462-C466 VanDerWaalsContact O-CB 3.24Å; H462-C466 WeakPolarHBondContact O-CB 3.48Å; H462-C466 PolarHBondContact O-N 3.46Å; H462-C466 PolarHBondContact O-SG 3.27Å; A463-C466 CarbonylContact O-C 3.52Å; A463-C466 PolarHBondContact O-N 2.98Å; C466-T469 VanDerWaalsContact C-OG1 3.31Å; C466-T469 WeakPolarHBondContact CA-OG1 3.49Å; C466-T469 PolarHBondContact O-OG1 3.31Å; C466-K470 VanDerWaalsContact O-CE 3.31Å; C466-K470 WeakPolarHBondContact O-CE 3.46Å; C466-K470 VanDerWaalsContact O-CG 3.27Å; C466-K470 WeakPolarHBondContact O-CG 3.4Å; C466-E951 WeakPolarHBondContact CA-OE2 3.39Å; C466-E951 PolarHBondContact N-OE2 2.96Å; C466-E951 PolarHBondContact SG-OE1 3.31Å; C466-E951 PolarHBondContact SG-OE2 2.65Å
467E29.2Very low40Very low121 Ų121106.4 Ų106.457%0.56554%0.541SS*.Hα-helixtrans-98.6-30179.4-79.3-176.4171.800113A463 S464 L465 T469 K470A463-E467 WeakPolarHBondContact O-CB 3.17Å; A463-E467 WeakPolarHBondContact O-CG 3.45Å; A463-E467 PolarHBondContact O-N 3.25Å; S464-E467 PolarHBondContact O-N 3.2Å; L465-E467 PolarHBondContact O-N 2.73Å; L465-E467 VanDerWaalsContact O-N 3.11Å; E467-T469 PolarHBondContact O-N 3.3Å; E467-K470 HydrophobicContact CG-CD 4.04Å; E467-K470 VanDerWaalsContact CG-NZ 3.31Å; E467-K470 PolarHBondContact O-N 2.92Å; E467-K470 IonicContact OE1-NZ 3.84Å; E467-K470 PolarHBondContact OE1-NZ 3.28Å; E467-K470 VanDerWaalsContact OE1-NZ 3.16Å
468A28.4Very low37.7Very low71 Ų71107 Ų10759%0.58755%0.547SS*.Hα-helixtrans-59.5-37.6165.600000111.4S464 L465 S471S464-A468 PolarHBondContact O-N 3.46Å; S464-A468 VanDerWaalsContact O-N 3.12Å; L465-A468 PolarHBondContact O-N 3.17Å; A468-S471 PolarHBondContact O-OG 3.29Å
469T33.5Very low35.5Very low72 Ų72114.3 Ų114.344%0.44258%0.579SS.*G310 helixtrans-77.8-23.3179.251.40000114.4L465 C466 E467 S471 F472L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.85Å; C466-T469 VanDerWaalsContact C-OG1 3.31Å; C466-T469 WeakPolarHBondContact CA-OG1 3.49Å; C466-T469 PolarHBondContact O-OG1 3.31Å; E467-T469 PolarHBondContact O-N 3.3Å; T469-S471 PolarHBondContact O-N 3.21Å; T469-F472 PolarHBondContact O-N 3.45Å
470K30.4Very low33.5Very low130 Ų130115.1 Ų115.157%0.56560%0.602SS**G310 helixtrans-65.9-5.1175.4-83.2172.5-150165.50115.1C466 E467 F472C466-K470 VanDerWaalsContact O-CE 3.31Å; C466-K470 WeakPolarHBondContact O-CE 3.46Å; C466-K470 VanDerWaalsContact O-CG 3.27Å; C466-K470 WeakPolarHBondContact O-CG 3.4Å; E467-K470 HydrophobicContact CG-CD 4.04Å; E467-K470 VanDerWaalsContact CG-NZ 3.31Å; E467-K470 PolarHBondContact O-N 2.92Å; E467-K470 IonicContact OE1-NZ 3.84Å; E467-K470 PolarHBondContact OE1-NZ 3.28Å; E467-K470 VanDerWaalsContact OE1-NZ 3.16Å; K470-F472 PolarHBondContact O-N 3Å; K470-F472 VanDerWaalsContact O-N 3.12Å
471S27.2Very low32Very low90 Ų90118.4 Ų118.463%0.62962%0.616SS**G310 helixtrans-60.1-14168.754.80000113.6A468 T469A468-S471 PolarHBondContact O-OG 3.29Å; T469-S471 PolarHBondContact O-N 3.21Å
472F31.8Very low31Very low172 Ų172119.9 Ų119.975%0.75463%0.634SS**SBendtrans-119.6108.9175-78.1-89.2000114.2T469 K470T469-F472 PolarHBondContact O-N 3.45Å; K470-F472 PolarHBondContact O-N 3Å; K470-F472 VanDerWaalsContact O-N 3.12Å
473K28.5Very low30Very low195 Ų195122.1 Ų122.185%0.84865%0.648SS**  trans69.287.4162.7-59.5-176.7179.5179.20117.3
474E25.4Very low29.7Very low187 Ų187122.2 Ų122.287%0.87465%0.645SS**  trans-70.1132.5144.6-64.4-174.9138.400110.6
475T26.2Very low30.1Very low138 Ų138119.3 Ų119.385%0.84763%0.626SS**  trans-141.5113.3146.530.20000106.3
476E28.4Very low30.6Very low156 Ų156118.8 Ų118.873%0.72962%0.623SS**  trans-61.9141.7171.8-71.7-163.2129.200110.5K478E476-K478 IonicContact OE1-NZ 3.48Å; E476-K478 PolarHBondContact OE1-NZ 3.4Å; E476-K478 IonicContact OE2-NZ 2.75Å; E476-K478 PolarHBondContact OE2-NZ 3.18Å
477D25.6Very low30.9Very low165 Ų165121.7 Ų121.788%0.88264%0.636SS**  trans-144145.6138.1-151.2-17.7000110.9
478K28.1Very low31.4Very low138 Ų138118 Ų11860%0.662%0.621SS**  trans-108.398-163.5-71.5-173.5168.984.50112.3E476E476-K478 IonicContact OE1-NZ 3.48Å; E476-K478 PolarHBondContact OE1-NZ 3.4Å; E476-K478 IonicContact OE2-NZ 2.75Å; E476-K478 PolarHBondContact OE2-NZ 3.18Å
479K24.6Very low31.6Very low196 Ų196120.1 Ų120.185%0.85262%0.623SS**  trans-163.1105.9150.6-107.8148.6-170.71720112.2K481K479-K481 VanDerWaalsContact C-N 3.34Å; K479-K481 PolarHBondContact O-N 3.11Å
480A28.1Very low31.7Very low111 Ų111120.5 Ų120.592%0.91762%0.622SS**  trans-71.887.8169.100000110
481K25.9Very low31.6Very low195 Ų195119.8 Ų119.885%0.84862%0.624SS**  trans-68.4139.2161.1-79-174.9168.1-176.10108.8K479 L483K479-K481 VanDerWaalsContact C-N 3.34Å; K479-K481 PolarHBondContact O-N 3.11Å; K481-L483 PolarHBondContact O-N 3.17Å
482V31.5Very low31.7Very low126 Ų126123.8 Ų123.876%0.76463%0.63SS**  trans-59126.3169.9177.30000107.9T484V482-T484 PolarHBondContact O-N 3.1Å
483L31.8Very low31.5Very low109 Ų109120.2 Ų120.257%0.57163%0.632SS**  trans-80.397175.6-16283.2000107.8K481K481-L483 PolarHBondContact O-N 3.17Å
484T39.9Very low31.5Very low43 Ų43116.2 Ų116.226%0.26463%0.629SS.*  trans-58.7138.6-179.1-19.80000110.2N133 V482 L486 D487N133-T484 WeakPolarHBondContact ND2-CG2 3.35Å; V482-T484 PolarHBondContact O-N 3.1Å; T484-L486 PolarHBondContact O-N 3.04Å; T484-D487 WeakPolarHBondContact CB-OD2 3.41Å; T484-D487 PolarHBondContact O-N 3.22Å; T484-D487 PolarHBondContact OG1-OD2 3.03Å
485A39.7Very low31.6Very low21 Ų21116.9 Ų116.917%0.17462%0.624CS.*THydrogen-bonded Turntrans-65.8-4-161.700000116.3I146I146-A485 HydrophobicContact CD1-CB 3.85Å; I146-A485 HydrophobicContact CG1-CB 4.13Å
486L44.2Very low31.6Very low20 Ų20118.9 Ų118.911%0.10562%0.623CS.*THydrogen-bonded Turntrans-125.65.9176.5-72.398.8000114.7T129 K130 N133 I141 V149 T484 T488T129-L486 HydrophobicContact CG2-CD1 4.38Å; T129-L486 HydrophobicContact CG2-CD2 4.25Å; K130-L486 HydrophobicContact CB-CD2 4.12Å; N133-L486 HydrophobicContact CB-CD1 4.28Å; I141-L486 HydrophobicContact CD1-CD1 3.7Å; V149-L486 HydrophobicContact CG2-CD2 4.22Å; T484-L486 PolarHBondContact O-N 3.04Å; L486-T488 PolarHBondContact O-N 3.37Å
487D40Very low31.5Very low100 Ų100117.4 Ų117.454%0.53563%0.631SS.*  trans-74.512.6-170-93.6-25.8000116.1T484 N489T484-D487 WeakPolarHBondContact CB-OD2 3.41Å; T484-D487 PolarHBondContact O-N 3.22Å; T484-D487 PolarHBondContact OG1-OD2 3.03Å; D487-N489 PolarHBondContact O-N 3.17Å
488T39.3Very low31.4Very low42 Ų42113.2 Ų113.226%0.25863%0.626SS.*SBendtrans-74.859.9173.354.60000113K161 L486 L490K161-T488 PolarHBondContact NZ-O 3.46Å; L486-T488 PolarHBondContact O-N 3.37Å; T488-L490 PolarHBondContact O-N 2.8Å
489N34.3Very low31.3Very low116 Ų116113 Ų11362%0.6264%0.636SS**  trans13.996.5169.9-86.8-61.3000115.4K161 D487K161-N489 PolarHBondContact NZ-O 2.87Å; D487-N489 PolarHBondContact O-N 3.17Å
490L35.6Very low31.2Very low81 Ų81112.9 Ų112.942%0.42464%0.639SS.*SBendtrans-84.3-29.1179.8-166.966.6000113.2F153 T488F153-L490 HydrophobicContact CE1-CD1 3.76Å; F153-L490 HydrophobicContact CZ-CD1 4.06Å; T488-L490 PolarHBondContact O-N 2.8Å
491D28.8Very low31Very low115 Ų115113.3 Ų113.362%0.61563%0.63SS**SBendtrans-127.11.1-155.6-40.7-64.7000115.7K130 A493K130-D491 IonicContact NZ-OD2 2.7Å; K130-D491 PolarHBondContact NZ-OD2 2.76Å; D491-A493 PolarHBondContact O-N 3.24Å
492K29Very low30.8Very low173 Ų173112.8 Ų112.875%0.75263%0.628SS**  trans-90.889172.4-101-155.7169.3-155.70111.2
493A27.2Very low30.4Very low97 Ų97117 Ų11780%0.80264%0.636SS**  trans-149.147.4171.800000112.1D491D491-A493 PolarHBondContact O-N 3.24Å
494S27.6Very low30Very low112 Ų112120.2 Ų120.278%0.78365%0.648SS**SBendtrans-158.1152.1168.7-101.40000109.8
495R28.2Very low29.2Very low200 Ų200128.5 Ų128.576%0.75568%0.68SS**  trans54.280.2-179.2-68.3-177.4170.4102.60115.8D630R495-D630 IonicContact CZ-OD2 3.58Å; R495-D630 VanDerWaalsContact CZ-OD2 3.23Å; R495-D630 IonicContact NH1-OD2 2.88Å; R495-D630 PolarHBondContact NH1-OD2 2.91Å; R495-D630 IonicContact NH2-OD2 2.7Å; R495-D630 PolarHBondContact NH2-OD2 3.46Å
496E25.4Very low28.4Very low180 Ų180132.6 Ų132.684%0.84171%0.707SS**  trans-160.375146.5-122.5172.2-108.700112.6
497S26Very low27.4Very low126 Ų126140.7 Ų140.788%0.88174%0.742SS**  trans-160.9113.9163.457.40000109.6
498G24.4Very low26.6Very low76 Ų76140.9 Ų140.978%0.78475%0.751SS**  trans-17080.8-174.900000111
499T25.5Very low25.9Very low133 Ų133143.5 Ų143.582%0.81677%0.771SS**  trans-86112.7-178.7-53.80000110.3V501T499-V501 HydrophobicContact CG2-CG2 4.27Å
500E23.6Very low25.4Very low194 Ų194145 Ų14591%0.90778%0.779SS**  trans-99.1139.6163.5-76.2-145137.900111.9
501V23.2Very low24.9Very low120 Ų120145.7 Ų145.773%0.72779%0.791SS**  trans-115.4115.9-175.6170.50000109.4T499T499-V501 HydrophobicContact CG2-CG2 4.27Å
502F22.3Very low24.8Very low185 Ų185145.2 Ų145.281%0.81180%0.796SS**  trans51.7120.9161.5-83.7-106.7000119.7
503K23Very low24.6Very low214 Ų214144 Ų14493%0.9380%0.798SS**  trans-143.3130133.9-109.9156.4-169.9162.80110.7
504Q23.3Very low24.4Very low177 Ų177146.8 Ų146.883%0.82780%0.797SS**  trans-75.4143.4178.3-63170.2-58.700111.4
505K23Very low24.2Very low217 Ų217151.4 Ų151.494%0.94380%0.803SS**  trans-159.9155.1136.8-111.7161.6-171.8175.60111.4
506S22Very low24Very low106 Ų106148.7 Ų148.774%0.74180%0.802SS**  trans-111.2145.7-164.253.90000113.7
507K23.7Very low23.9Very low191 Ų191146 Ų14683%0.8380%0.803SS**  trans174.6123.4147.7-95159.3-177.3-170.80106.9
508S22.5Very low23.8Very low104 Ų104147 Ų14773%0.72779%0.794SS**  51128.283.877.40000112.7
509S25.7Very low23.8Very low96 Ų96149.8 Ų149.867%0.67179%0.791SS**  cis-166.8167.817.246.20000111.2
510D23.9Very low23.9Very low148 Ų148149.9 Ų149.979%0.79179%0.791SS**  trans38.3143134.7-58.9-23.6000121.7
511S25.4Very low23.9Very low96 Ų96145 Ų14567%0.67178%0.784SS**  cis-174.5163.2-1.7490000111.8
512S25.8Very low24.4Very low104 Ų104144.1 Ų144.173%0.72778%0.781SS**  trans67.8163.1157.684.50000117
513N25.4Very low24.4Very low149 Ų149141.5 Ų141.580%0.79778%0.78SS**  cis-144.2158.65.1-141.2-15.9000111.5
514M23.1Very low24.5Very low155 Ų155137.3 Ų137.376%0.76477%0.767SS**  trans-82.8155.5170.3-63.4-170.776.100111
515F23.3Very low24.5Very low208 Ų208136.6 Ų136.691%0.91276%0.764SS**  trans-149.9143.7133.5-114.8-74.4000111.9
516L24.1Very low24.5Very low143 Ų143130.9 Ų130.975%0.74975%0.751SS**  trans-111138.5176.7-161.291.1000108.4
517S23Very low24.7Very low123 Ų123131.9 Ų131.986%0.8675%0.753SS**  trans-159.7166.9152.1-151.60000111.8
518Q24.5Very low24.7Very low149 Ų149129.8 Ų129.870%0.69675%0.751SS**  trans-123.5175.6-168.1-55.7174.4-4900112.6
519N24.3Very low25.4Very low133 Ų133129.7 Ų129.771%0.71175%0.748SS**  trans96.2150.1137.5-67.7-32000121.7
520V25.9Very low25.4Very low136 Ų136132.4 Ų132.482%0.82475%0.754SS**  trans80.4124.6161.9-167.40000118.3
521A24.9Very low25.3Very low91 Ų91128.4 Ų128.475%0.75275%0.748SS**  trans-131.8152.2155.600000109
522P32.5Very low25.3Very low101 Ų101131.1 Ų131.166%0.65675%0.754SS**  trans-117.9140.41454.118000110
523T24.1Very low25.2Very low130 Ų130130.6 Ų130.680%0.79875%0.75SS**  46.1137.384.134.50000114.9
524L24.9Very low25.1Very low127 Ų127132.9 Ų132.967%0.66575%0.748SS**  cis-161.8152.545.4-161.277.8000112.7
525E22.4Very low25.2Very low162 Ų162131 Ų13176%0.75774%0.738SS**  trans35.5159147.5-73159.2-148.600123
526S24.2Very low25.2Very low97 Ų97128.5 Ų128.568%0.67873%0.726SS**  cis-164.8174-16.854.50000106.3
527T24.2Very low25.1Very low127 Ų127128.4 Ų128.478%0.77973%0.725SS**  cis-154.5143.939.147.80000113.1
528D24Very low25Very low147 Ų147126.7 Ų126.779%0.78671%0.713SS**  trans-87.2178.4156.4-149.910.1000108.4
529P38.5Very low24.9Very low102 Ų102128.8 Ų128.866%0.66272%0.721SS**  -161.2174.96343.5-20.4000120.1
530L24.5Very low24.8Very low152 Ų152127.8 Ų127.880%0.79672%0.724SS**  trans83.8122156.8-52.9-177.5000119
531G22.3Very low24.6Very low65 Ų65132.2 Ų132.267%0.6773%0.726SS**  cis158172.7-16.800000116.7
532L26.3Very low24.6Very low153 Ų153133.6 Ų133.680%0.80173%0.73SS**  trans64.3139.8150.2-55.8174.5000118.5
533S23.5Very low24.2Very low92 Ų92132.7 Ų132.764%0.64374%0.739SS**  cis-173.7-174.6-9.964.80000108.5
534W23.5Very low24.3Very low198 Ų198131.8 Ų131.875%0.7574%0.738SS**  cis-165.4143.92.7-121.1150.4000109.2
535Q24.1Very low24.3Very low116 Ų116133.4 Ų133.454%0.54275%0.746SS.*  trans68.8155.2144.1-62.6-175.839.200119
536K23.4Very low24.7Very low155 Ų155134 Ų13467%0.67475%0.749SS**  cis-157.7137.6-4.5-124.9175.1-176.7150.80115.1
537L21.7Very low25.6Very low140 Ų140134.3 Ų134.373%0.73375%0.749SS**  trans53.7126.3131.9-76.5175.4000125.6
538S21.4Very low25.6Very low87 Ų87132.8 Ų132.861%0.60874%0.743SS**  82.7111.6121.570.50000124.2
539F21.6Very low25.8Very low194 Ų194131.6 Ų131.685%0.85175%0.746SS**  35.9125.1122.1-58.4-77.2000120.9
540S21.9Very low25.2Very low111 Ų111130 Ų13078%0.77675%0.748SS**  171140.297.9-76.80000116.3
541R23.4Very low25.3Very low230 Ų230128.9 Ų128.987%0.86875%0.748SS**  trans50.4120.4144.3-78.1-173.6167.9-175.8-3.6123
542S24.6Very low25.7Very low119 Ų119134.1 Ų134.183%0.83275%0.754SS**  60.1115.8118.8-51.50000120.9
543G24.2Very low25.8Very low82 Ų82137.4 Ų137.485%0.84576%0.756SS**  trans-154.9114.1158.100000111
544S26.4Very low26Very low112 Ų112138.6 Ų138.678%0.78376%0.764SS**  trans-83.8148.8167.3179.50000109.5
545L24.8Very low26.2Very low160 Ų160132.6 Ų132.684%0.83876%0.764SS**  164.9119.9128.6-86.5161.1000112.5
546Q29.8Very low26.5Very low176 Ų176132.8 Ų132.882%0.82278%0.778SS**  trans-81.4169.4134.7-86.4-165.4-6.400108.2
547P42.8Very low26.6Very low102 Ų102128.1 Ų128.166%0.66278%0.775SS**  cis-143.1-168.519.340.1-18.8000116.7
548S25.6Very low27Very low95 Ų95130.6 Ų130.666%0.66478%0.782SS**  trans83.2129136.7680000122.9
549S27.7Very low27.2Very low122 Ų122129.6 Ų129.685%0.85379%0.786SS**  trans57.1142.5143.3580000121
550G24.8Very low27.5Very low68 Ų68125.4 Ų125.470%0.70179%0.786SS**  cis164.1-144.72.600000111.6
551V27.9Very low27.7Very low129 Ų129124.7 Ų124.778%0.78278%0.781SS**  trans80.494.7166.9-174.60000118
552H29.3Very low27.9Very low175 Ų175120.8 Ų120.881%0.8178%0.777SS**  54.1160.9126.4-60.2-50.9000121.8
553R28.8Very low27.9Very low223 Ų223119.2 Ų119.284%0.84277%0.766SS**  cis-160.2155.423.5-149.1178.6-159.8178.95.2113.4
554S28.9Very low28Very low116 Ų116122.4 Ų122.481%0.81176%0.763SS**  trans71.3144157.6-53.40000119.4
555G26.5Very low28Very low73 Ų73125.9 Ų125.975%0.75377%0.767SS**  cis157138.7-1500000116.8
556S30Very low28.1Very low119 Ų119122.5 Ų122.583%0.83276%0.757SS**  trans80.2136.9164.4-1530000118.3
557G26.5Very low27.8Very low58 Ų58121.8 Ų121.860%0.59876%0.758SS**  cis159.7170.3-8.400000115.1
558H30.9Very low27Very low191 Ų191124.4 Ų124.488%0.88477%0.765SS**  trans73.6139.1179.2-41.586.8000115.4
559G25.4Very low27.6Very low67 Ų67125.8 Ų125.869%0.69177%0.772SS**  cis-163.8146.8-7.200000109.7
560A27.7Very low27.5Very low105 Ų105125.3 Ų125.387%0.86876%0.764SS**  81.9140.38800000113.9
561S26.1Very low27.5Very low96 Ų96130 Ų13067%0.67177%0.768SS**  cis-176.3130.9-6.2173.60000113.5
562I26.3Very low27.4Very low149 Ų149127.8 Ų127.876%0.76476%0.758SS**  trans69117137.5-67.3176.9000122.8
563S26.4Very low27.2Very low86 Ų86125.8 Ų125.860%0.60175%0.753SS**  trans68.6131.5132.682.70000127
564D25.8Very low27.2Very low149 Ų149121.9 Ų121.980%0.79775%0.749SS**  80.1155.7124.2-67.52.1000124.6
565Q26.9Very low27.2Very low185 Ų185123.5 Ų123.586%0.86475%0.748SS**  trans74.9130.3174.2-56.4-17319.800115.9
566S25.8Very low27.1Very low89 Ų89126.5 Ų126.562%0.62275%0.747SS**  cis143.9130.1-12.351.20000106.6
567N24.3Very low27Very low160 Ų160124.3 Ų124.386%0.85673%0.732SS**  trans169.7158.8130.9-85-26.8000113.5
568I26.4Very low27Very low158 Ų158130.4 Ų130.481%0.8174%0.743SS**  trans-131.9136.5178-77.2169.7000104.6
569P37Very low26.7Very low124 Ų124125 Ų12581%0.80573%0.726SS**  -148.8168.5100.837.5-17.6000118.5
570T24.9Very low26.7Very low111 Ų111130.2 Ų130.268%0.68173%0.732SS**  trans-60.4179.6-179.8-6.80000118.3
571E26.6Very low26.6Very low168 Ų168130 Ų13079%0.78572%0.724SS**  trans76.8153.1153.1-71.5148.6-131.400119.2
572S24.6Very low26.6Very low82 Ų82129.6 Ų129.657%0.57373%0.727SS**  cis-166.1168-43.561.40000110.5
573D26.1Very low26.6Very low132 Ų132129.6 Ų129.671%0.70673%0.729SS**  trans69.9135.1147.8-49.9-29.4000124.3
574D28.3Very low26.7Very low142 Ų142133 Ų13376%0.75974%0.735SS**  trans78.198.9132.8-62.82.1000126
575D28Very low26.7Very low149 Ų149131.4 Ų131.480%0.79773%0.726SS**  87.5167.9104.1-124.7-15.1000125.1
576D25.9Very low26.7Very low136 Ų136130.9 Ų130.973%0.72772%0.723SS**  trans77141.2160.6-86.7-34.7000122.1
577S28.1Very low26.7Very low74 Ų74135.8 Ų135.852%0.51773%0.734SS.*  cis-178.1176.6-32.742.10000113.1
578F24.6Very low27.3Very low186 Ų186134.1 Ų134.182%0.81673%0.732SS**  trans70.2154162.1-61.8-66.2000119.6
579S25.2Very low27.5Very low77 Ų77135.8 Ų135.854%0.53873%0.733SS.*  cis-175.4164.6-19.157.20000113.5
580H26.3Very low27.6Very low176 Ų176135 Ų13582%0.81573%0.728SS**  trans64159.2155.4-60.3-53.2000119.9
581S24.4Very low27.7Very low101 Ų101137.3 Ų137.371%0.70673%0.731SS**  cis-172.8143.8-31.257.80000113.4
582A27.3Very low27.6Very low87 Ų87134.6 Ų134.672%0.71972%0.722SS**  trans77.5154.4143.700000124.4
583D25.6Very low27.8Very low150 Ų150137.3 Ų137.380%0.80273%0.726SS**  trans84.3110.2147.9-68.60.2000126.6
584E28.6Very low27.8Very low157 Ų157137.4 Ų137.473%0.73473%0.726SS**  75.1109.1118.8-69.5-109.2127.800124.8
585N26.7Very low27.8Very low115 Ų115134.4 Ų134.462%0.61572%0.716SS**  90151.3119.6-93.7-35.7000126.6
586H26.4Very low27.8Very low174 Ų174137.9 Ų137.981%0.80672%0.718SS**  trans86124157.1-76.1-62.4000125
587K26.1Very low28Very low193 Ų193137.8 Ų137.884%0.83972%0.718SS**  trans-67.7170159.2-80172.9-179.9166.60111.7
588P36.4Very low28Very low125 Ų125138.5 Ų138.581%0.81272%0.722SS**  cis-150.2-179.533.242.6-20.4000120.4
589K30Very low28.1Very low192 Ų192133.6 Ų133.684%0.83571%0.711SS**  trans-55.1162.4158.5-90.3-178.7-179.6-178.40112.2
590P38.7Very low28.4Very low108 Ų108138.4 Ų138.470%0.70173%0.725SS**  -163.6170.360.546.5-24.5000122.6
591Q27.4Very low29.5Very low159 Ų159135.4 Ų135.474%0.74372%0.721SS**  trans71.7142.1134-89.5178.7-0.300125.7
592N25.8Very low29.8Very low112 Ų112136.6 Ų136.660%0.59972%0.724SS**  trans72.2153.1139.5-67.1-16.8000119.5
593Q28.3Very low29.8Very low139 Ų139139.5 Ų139.565%0.6573%0.726SS**  cis-166.7154.7-14.3-116.2172.336.200111.9
594N26.1Very low29.9Very low134 Ų134140.7 Ų140.772%0.71772%0.724SS**  trans62.2160.4142.4-67.5-20.3000122
595S27.2Very low29.8Very low79 Ų79137.8 Ų137.855%0.55272%0.721SS**  cis-178.7163.6-29.366.80000111.9
596R29.3Very low29.7Very low222 Ų222138.2 Ų138.284%0.83873%0.728SS**  trans70.3152.5156.4-65.7177171.8174.4-2.8116.2
597N28.8Very low29.7Very low134 Ų134137.3 Ų137.372%0.71773%0.728SS**  cis-161.6173.5-2.9-114.615.8000107.5
598S28.5Very low30.3Very low88 Ų88133.6 Ų133.662%0.61572%0.723SS**  cis-180-169.3-28.164.20000106.9
599S27.3Very low29.7Very low83 Ų83136.2 Ų136.258%0.5873%0.725SS**  cis-170.4131.60.921.90000111
600H31.6Very low29.4Very low179 Ų179133.2 Ų133.283%0.82972%0.722SS**  trans67.9169.6141-67.4-44.1000120.6
601P48.1Very low28.9Very low112 Ų112134 Ų13473%0.72773%0.727SS**  cis-131.3165.75.417.48.4000118.9
602V30.9Very low28.9Very low127 Ų127136.6 Ų136.677%0.7773%0.73SS**  trans67.4134.7148.4160.50000117.3
603L28.8Very low28.9Very low148 Ų148137.1 Ų137.178%0.77574%0.74SS**  cis-168.3-170.3-14-148.561000105.5
604K26.3Very low29Very low175 Ų175137.1 Ų137.176%0.76174%0.744SS**  cis-162.5128.16.6-175.8177.1-178.1-174.40111.9
605S27.2Very low29Very low95 Ų95135.5 Ų135.566%0.66474%0.74SS**  trans43.5142.8136.8-133.50000122.1
606T24.5Very low28.8Very low124 Ų124139.7 Ų139.776%0.76175%0.751SS**  cis-156.1163.218.8-30.90000112.6
607I26.9Very low28.5Very low156 Ų156135.5 Ų135.580%0.876%0.755SS**  trans-132160.3175.833.5163.5000108.6
608P37.9Very low28.2Very low114 Ų114137.6 Ų137.674%0.7476%0.76SS**  cis-134.8-152.243.728.6-0.3000112.5
609E23.5Very low28.1Very low181 Ų181138.4 Ų138.485%0.84677%0.772SS**  cis-145.9-174.418.1-68.9-172.3115.600113.2
610T24.9Very low27.9Very low128 Ų128141.8 Ų141.879%0.78578%0.782SS**  trans-137.1154.9175.5-23.70000110
611P28.6Very low27.6Very low124 Ų124141.5 Ų141.581%0.80578%0.781SS**  -146165.5106.437.4-22.2000116.1
612R26.5Very low26.4Very low214 Ų214141 Ų14181%0.80879%0.786SS**  trans-80.4156.2169.5-98.9-175.6-175-167.32.1110.8
613P26.7Very low26Very low123 Ų123144 Ų14480%0.79979%0.792SS**  -141.1159.984.838.2-22.9000116.5
614L29.3Very low25.7Very low139 Ų139143 Ų14373%0.72879%0.792SS**  trans-83.8152156.1-83147.9000108.3
615P26.4Very low25.6Very low100 Ų100143.8 Ų143.865%0.64980%0.798SS**  -144.2162.194.738.9-24.7000115.8
616Q23.4Very low25.4Very low167 Ų167144.3 Ų144.378%0.7880%0.798SS**  trans34.3118.5144.7-63.7160.7-71.700119.8
617C22.8Very low25.3Very low135 Ų135147 Ų14791%0.91280%0.802SS**  trans-105.4128.6143.3-76.90000109.2
618E22.6Very low25.1Very low178 Ų178144.7 Ų144.783%0.83280%0.795SS**  trans-84.3168.4165.6-64.1176.9125.300109.9
619A26.3Very low24.5Very low104 Ų104148.2 Ų148.286%0.8680%0.799SS**  trans-85.2124.2179.300000111.6
620I22.6Very low24.4Very low155 Ų155144.4 Ų144.480%0.79578%0.784SS**  trans-131.6148.6165.7-64-176.2000108.3
621Q24.9Very low24.6Very low173 Ų173147 Ų14781%0.80879%0.787SS**PPolyproline II helixtrans-64.9151.1-179.9-60.9105.3-32.700112.6
622A22.9Very low24.3Very low101 Ų101149.1 Ų149.184%0.83579%0.792SS**PPolyproline II helixtrans-99.2122.7161.600000108.7
623E23.7Very low24.1Very low190 Ų190144.5 Ų144.589%0.88879%0.792SS**PPolyproline II helixtrans-80.4162.7178.7-67.8-175.5117.800112
624T22.5Very low24.1Very low127 Ų127147.6 Ų147.678%0.77980%0.798SS**  trans-96.7109.2-173.7-45.80000110.8
625E23.2Very low23.8Very low191 Ų191145.7 Ų145.789%0.89380%0.803SS**  trans-110.7135.4160.4-67.7-167.414200109.4
626T23.1Very low23.8Very low107 Ų107148.6 Ų148.666%0.65681%0.813SS**  trans-142.485-172.3-56.90000108.2V628T626-V628 HydrophobicContact CG2-CG2 4.38Å; T626-V628 PolarHBondContact O-N 3.48Å
627E22.6Very low23.9Very low181 Ų181146.7 Ų146.785%0.84681%0.812SS**  trans-73.8121.5175.6-65.9-157.9133.600110.4
628V23.4Very low23.9Very low106 Ų106147.7 Ų147.764%0.64281%0.808SS**  trans-107.6113178.8176.70000108.1T626 D630T626-V628 HydrophobicContact CG2-CG2 4.38Å; T626-V628 PolarHBondContact O-N 3.48Å; V628-D630 PolarHBondContact O-N 3.35Å
629F23.8Very low23.9Very low189 Ų189147.9 Ų147.983%0.82981%0.809SS**  trans-76.985.5170-84.9-90.3000110.7
630D22.8Very low23.7Very low100 Ų100151.3 Ų151.354%0.53581%0.808SS.*  trans-93.9110.6153.3-91-22.5000107.1R495 V628R495-D630 IonicContact CZ-OD2 3.58Å; R495-D630 VanDerWaalsContact CZ-OD2 3.23Å; R495-D630 IonicContact NH1-OD2 2.88Å; R495-D630 PolarHBondContact NH1-OD2 2.91Å; R495-D630 IonicContact NH2-OD2 2.7Å; R495-D630 PolarHBondContact NH2-OD2 3.46Å; V628-D630 PolarHBondContact O-N 3.35Å
631E27.8Very low23.7Very low183 Ų183148.4 Ų148.486%0.85580%0.801SS**  trans-152.8124.6165.1-158.2167.6-123.300112.9
632D22.2Very low23.6Very low169 Ų169150.2 Ų150.290%0.90481%0.806SS**  trans-162.995.2165-156.51.4000108.8
633S23.6Very low23.5Very low116 Ų116153.3 Ų153.381%0.81180%0.803SS**  trans-160.4134.1173.8-175.50000112.2
634M26Very low23.4Very low188 Ų188155.3 Ų155.393%0.92681%0.805SS**  trans-83.6145-177-77.2-84.5-169.600114.3
635A24.3Very low23.3Very low99 Ų99156.2 Ų156.282%0.81880%0.804SS**  trans-159.4139.3148.500000110.9
636D24.9Very low23.3Very low161 Ų161156.3 Ų156.386%0.86180%0.804SS**  trans-73.3152.1171.7-89.8-55.8000112.7
637V25.4Very low23.4Very low128 Ų128156.4 Ų156.478%0.77681%0.809SS**  173.6120.7128.71510000112.6
638N23.1Very low23.5Very low155 Ų155156.7 Ų156.783%0.82981%0.81SS**  trans53.4159.2153.9-75.216000124.4
639E23.1Very low23.4Very low182 Ų182159.5 Ų159.585%0.8582%0.821SS**  trans-77.7144.7-179.5-52.3166111.800113.5
640E21.4Very low23.4Very low176 Ų176156.1 Ų156.182%0.82282%0.818SS**  175.5130104.6-93.3-149.111900114.2
641S22.2Very low23.3Very low94 Ų94159.2 Ų159.266%0.65783%0.833SS**  trans40.8101.2134.7-54.60000121.7
642K23.2Very low23Very low211 Ų211158.8 Ų158.892%0.91783%0.831SS**  -173.6140.6117.4-101.8149.9-168.8159.70115.3
643E20.4Very low23Very low166 Ų166155.8 Ų155.878%0.77682%0.819SS**  trans-78.2147.6165.8-57.5170104.800111.3
644Y22.5Very low22.8Very low233 Ų233155.4 Ų155.491%0.91482%0.817SS**  trans-155.1129.2137.1-106.9-73.5000109.5
645L21.5Very low22.8Very low145 Ų145152.9 Ų152.976%0.75980%0.801SS**  trans-77.1135.5178.2-76.474.3000110.6
646H22.9Very low22.7Very low193 Ų193151.8 Ų151.889%0.89479%0.788SS**  trans-140.2128.2145.8-108.8-82.5000110.7
647S24.1Very low22.7Very low109 Ų109146.9 Ų146.976%0.76277%0.766SS**  trans-91.1121.2-170.955.10000112.6
648Q24.1Very low22.9Very low187 Ų187145.8 Ų145.887%0.87475%0.751SS**  trans-137.9132.8160.8-64.3-169.74.700109.4
649L21.5Very low23Very low165 Ų165140.1 Ų140.186%0.86473%0.729SS**  trans-91.9125.4174.7-82.176.5000109.6
650P24.1Very low23.2Very low119 Ų119134 Ų13477%0.77370%0.7SS**  trans-84.1120.7163.6-4.523.3000110.1Q652P650-Q652 PolarHBondContact O-N 3.32Å
651L21.8Very low23.6Very low164 Ų164126.3 Ų126.386%0.85967%0.666SS**  trans-75.6102.2167.3-84.6161.4000109.5T653L651-T653 PolarHBondContact O-N 2.93Å
652Q20.9Very low24Very low174 Ų174125 Ų12581%0.81365%0.648SS**  trans-84.691171.9-75-171.3-24.800111.4P650 S654P650-Q652 PolarHBondContact O-N 3.32Å; Q652-S654 PolarHBondContact O-N 2.95Å
653T21.3Very low24.3Very low106 Ų106116 Ų11665%0.6561%0.612SS**  trans-91.273.4169.838.40000111.1L651 F655L651-T653 PolarHBondContact O-N 2.93Å; T653-F655 VanDerWaalsContact C-N 3.27Å; T653-F655 HydrophobicContact CG2-CE2 4.31Å; T653-F655 PolarHBondContact O-N 3.39Å
654S21.2Very low24.7Very low109 Ų109108.8 Ų108.876%0.76258%0.58SS**  trans-7958.8-173.346.90000114.7Q652 S656Q652-S654 PolarHBondContact O-N 2.95Å; S654-S656 PolarHBondContact O-N 2.88Å
655F25.3Very low25.1Very low134 Ų13499.3 Ų99.359%0.58854%0.544SS*.  trans-71107.6173.3-69.2-76000111.4T653T653-F655 VanDerWaalsContact C-N 3.27Å; T653-F655 HydrophobicContact CG2-CE2 4.31Å; T653-F655 PolarHBondContact O-N 3.39Å
656S22.2Very low25.2Very low77 Ų7794.4 Ų94.454%0.53852%0.521SS..  trans-103.4143.1175.759.40000111.2S654 F658S654-S656 PolarHBondContact O-N 2.88Å; S656-F658 WeakPolarHBondContact O-CD2 3.2Å; S656-F658 PolarHBondContact O-N 3.31Å; S656-F658 VanDerWaalsContact O-N 3.14Å
657S23.7Very low25.4Very low58 Ų5888.6 Ų88.641%0.40650%0.502SS..  trans-68.2108.9-175.8-167.10000111.5G659S657-G659 PolarHBondContact O-N 3.48Å
658F30.6Very low25.4Very low105 Ų10592.1 Ų92.146%0.46150%0.499SS..  trans-76.183.5-179.6-66.6-66.2000112.5S656S656-F658 WeakPolarHBondContact O-CD2 3.2Å; S656-F658 PolarHBondContact O-N 3.31Å; S656-F658 VanDerWaalsContact O-N 3.14Å
659G24.5Very low25.3Very low35 Ų3591.2 Ų91.236%0.36150%0.495SS..  trans-81.8133.1168.100000112.8S657S657-G659 PolarHBondContact O-N 3.48Å
660E28.8Very low25.4Very low54 Ų5493.2 Ų93.225%0.25250%0.497SS..  trans67.5109170.5-7876.5-166.600119.6N155 K204N155-E660 WeakPolarHBondContact CA-OE2 3.22Å; N155-E660 HydrophobicContact CB-CB 4.42Å; N155-E660 HydrophobicContact CB-CG 4.13Å; N155-E660 WeakPolarHBondContact CB-OE2 3.17Å; N155-E660 VanDerWaalsContact CG-CG 3.48Å; N155-E660 WeakPolarHBondContact ND2-CB 3.42Å; N155-E660 WeakPolarHBondContact OD1-CG 3.33Å; K204-E660 IonicContact NZ-OE1 3.44Å; K204-E660 PolarHBondContact NZ-OE1 3.15Å; K204-E660 IonicContact NZ-OE2 3.32Å
661S27.9Very low25.3Very low14 Ų1495 Ų9510%0.09850%0.498CS..  trans-94.998.6165.71720000112.4Q349 R908Q349-S661 VanDerWaalsContact CD-OG 3.28Å; Q349-S661 WeakPolarHBondContact CG-OG 3.35Å; Q349-S661 PolarHBondContact OE1-OG 2.99Å; S661-R908 WeakPolarHBondContact CB-O 3.49Å; S661-R908 PolarHBondContact O-NH1 3.47Å; S661-R908 VanDerWaalsContact O-NH1 3.16Å; S661-R908 PolarHBondContact OG-NH1 2.93Å
662F31.7Very low25.3Very low68 Ų6892.7 Ų92.730%0.29850%0.496SS..SBendtrans-132.319.6157.2-97.9-68.6000112.5M200 L239 Q349M200-F662 HydrophobicContact CE-CE2 4.21Å; L239-F662 HydrophobicContact CD2-CZ 4.42Å; Q349-F662 VanDerWaalsContact OE1-CA 3.22Å
663S30Very low25.4Very low22 Ų2291 Ų9115%0.15450%0.497CS..  trans-170117.8-157.840.60000115W118W118-S663 VanDerWaalsContact CA-CB 3.4Å; W118-S663 WeakPolarHBondContact O-CB 3.46Å
664S29Very low25.5Very low13 Ų1389.5 Ų89.59%0.09150%0.503CS..  trans-167.1165.1157.948.40000111.3W118 S347 Q348 Q349W118-S664 WeakPolarHBondContact CZ2-O 3.43Å; W118-S664 PolarHBondContact NE1-O 3.3Å; S347-S664 WeakPolarHBondContact CA-OG 3.48Å; S347-S664 VanDerWaalsContact CB-C 3.48Å; S347-S664 VanDerWaalsContact CB-O 3.29Å; S347-S664 WeakPolarHBondContact CB-O 3.49Å; S347-S664 WeakPolarHBondContact CB-OG 3.48Å; S347-S664 PolarHBondContact OG-O 2.96Å; S347-S664 VanDerWaalsContact OG-O 3.06Å; S347-S664 PolarHBondContact OG-OG 3.16Å; Q348-S664 PolarHBondContact N-OG 3.49Å; Q349-S664 WeakPolarHBondContact CB-OG 3.41Å; Q349-S664 PolarHBondContact N-OG 3.29Å
665Q29.9Very low25.6Very low34 Ų3492.6 Ų92.616%0.15951%0.506CS..  trans-83.6163.7-147.8-68.9174.9-5.300118.4I119 T346 S347I119-Q665 HydrophobicContact CB-CG 4.45Å; I119-Q665 HydrophobicContact CG2-CG 3.57Å; T346-Q665 CarbonylContact C-O 3.5Å; T346-Q665 PolarHBondContact OG1-O 3.15Å; S347-Q665 WeakPolarHBondContact CA-O 3.32Å; S347-Q665 WeakPolarHBondContact CB-O 3.27Å; S347-Q665 PolarHBondContact N-O 3.11Å
666S23.3Very low25.5Very low42 Ų4292.9 Ų92.929%0.29451%0.513SS..  trans-142.2134.7157.763.40000109.2W118 T346W118-S666 VanDerWaalsContact CH2-N 3.33Å; T346-S666 WeakPolarHBondContact OG1-CA 3.44Å
667S26.7Very low25.5Very low71 Ų7194.4 Ų94.450%0.49752%0.524SS..  trans-159.1163.5172.4-162.30000111.4
668W25.1Very low26.1Very low183 Ų18396.8 Ų96.869%0.69354%0.538SS*.  trans-117.4169.6-162.1-77.481.3000114.2P344P344-W668 HydrophobicContact CG-CD2 4.24Å; P344-W668 HydrophobicContact CG-CE3 4.4Å; P344-W668 HydrophobicContact CG-CH2 4.18Å; P344-W668 HydrophobicContact CG-CZ2 3.99Å; P344-W668 HydrophobicContact CG-CZ3 4.38Å
669E22.6Very low25.6Very low168 Ų168100.5 Ų100.579%0.78556%0.559SS**  trans-70.8163.4-174.1-55173.5122.400114.6
670K22.4Very low25.4Very low208 Ų208103.5 Ų103.590%0.90457%0.573SS**  trans-113.5123.5161.8-77.4179.3176.6172.10109.7
671I22Very low25.1Very low156 Ų156110 Ų11080%0.860%0.604SS**PPolyproline II helixtrans-92137.7163.5-66.5176000108.5
672S22.7Very low24.8Very low116 Ų116118.1 Ų118.181%0.81164%0.637SS**PPolyproline II helixtrans-76.8139.1-174.2-171.70000113
673T21.8Very low24.4Very low137 Ų137121.9 Ų121.984%0.8467%0.665SS**PPolyproline II helixtrans-95.7119.217450.60000111.7
674G23.2Very low24Very low75 Ų75127.5 Ų127.577%0.77369%0.689SS**  trans-120.592.1177.300000114
675Q25Very low24.5Very low174 Ų174132.4 Ų132.481%0.81372%0.721SS**  trans38.5123151.5-65.4-176.9-12.200122.3
676N23.3Very low24.1Very low140 Ų140134.3 Ų134.375%0.74975%0.75SS**  63.6102.6129.4-53.9-14000121.9
677S20.4Very low24.4Very low110 Ų110141.7 Ų141.777%0.76977%0.773SS**  33.9152101.3-152.90000120.4
678P38Very low24.4Very low107 Ų107144.6 Ų144.670%0.69579%0.787SS**  cis-137.1171.4-38.638.2-23.1000113.8
679M19.3Very low24.4Very low183 Ų183143.1 Ų143.190%0.90179%0.792SS**  -179.4171.3124.6-100.2-143.870.400113
680C21.2Very low24.4Very low98 Ų98144 Ų14466%0.66279%0.793SS**  trans-120.8134.4-177.3172.50000110.2
681E21.2Very low25.1Very low192 Ų192139.5 Ų139.590%0.89779%0.785SS**  trans-148.5158.9151.8-138.5166.3-147.700112.2
682K22.6Very low25.4Very low183 Ų183143.2 Ų143.280%0.79679%0.789SS**  trans-96.2160.1179.5-68.6170.9178.6167.80108.5
683V22.2Very low25.7Very low147 Ų147142.5 Ų142.589%0.89178%0.784SS**  -165.6153.284148.30000112
684Q22Very low25.9Very low140 Ų140147.5 Ų147.565%0.65479%0.788SS**  trans-85.9-175.8179.5-105.2-175.68.600111.6
685P39.8Very low26.2Very low117 Ų117149.8 Ų149.876%0.7679%0.791SS**  cis-141.8170.421.142-22.4000118.8
686G21.6Very low26.3Very low74 Ų74147.3 Ų147.376%0.76379%0.793SS**  trans-174.1115.5162.400000109.2
687Y28.7Very low26.3Very low197 Ų197144.2 Ų144.277%0.77380%0.795SS**  trans-119177.6-166.8-102-86.8000113.4
688V27.8Very low26.7Very low131 Ų131144 Ų14479%0.79479%0.794SS**  trans90.5118.5-178.6-176.30000112.2
689L23.9Very low26.1Very low153 Ų153146 Ų14680%0.80180%0.799SS**  cis-145-127.6-4.7-136.6178.2000113.3
690K24.6Very low26.3Very low185 Ų185140.5 Ų140.580%0.80479%0.789SS**  trans-179-177.3-171.1-107.7162.5-173172.30107.7
691P37.1Very low26.5Very low115 Ų115141.5 Ų141.575%0.74780%0.797SS**  cis-127.3-150.215.235.1-10.6000111.2
692R28Very low26.5Very low234 Ų234141.7 Ų141.788%0.88380%0.795SS**  cis-168162.1-24.3-114.8174.1177.6171.8-0.9104.9
693S28.8Very low26.7Very low100 Ų100138.4 Ų138.470%0.69979%0.79SS**  cis-171.6168.3-27.945.90000111.3
694R26.5Very low26.7Very low243 Ų243139 Ų13992%0.91779%0.786SS**  trans-38.3154.9172.5-53.9167.7173.3173.1-5.9118.1
695S27.6Very low26.8Very low122 Ų122137 Ų13785%0.85378%0.783SS**  -169.3-170.4120.256.50000111.8
696S27.9Very low26Very low122 Ų122138.9 Ų138.985%0.85378%0.782SS**  trans-142.8159.1-158.1-41.50000114.1
697G24.4Very low26.2Very low76 Ų76140 Ų14078%0.78477%0.774SS**  trans104.6136.3138.600000120.2
698S26.9Very low26.3Very low106 Ų106136.2 Ų136.274%0.74177%0.774SS**  trans52.6130.2146.9-84.60000124.6
699D26Very low26.2Very low149 Ų149136.2 Ų136.280%0.79777%0.77SS**  56.7104.6126.1-48.8-41.6000122.3
700G24.6Very low26.4Very low67 Ų67133.3 Ų133.369%0.69176%0.762SS**  83.1124.1107.700000121.8
701S24.3Very low26.4Very low119 Ų119132 Ų13283%0.83276%0.759SS**  trans73.6151.6152.285.10000117.8
702F21.7Very low25.9Very low196 Ų196131.3 Ų131.386%0.8676%0.757SS**  cis-163.7161.8-19.9-136.6-67000109.7
703V25.6Very low25.8Very low114 Ų114124.8 Ų124.869%0.69175%0.747SS**  trans65.9122.2165.6-135.10000116.5
704I24Very low25.7Very low158 Ų158125.6 Ų125.681%0.8175%0.753SS**  178.4150.292.8-95.3169.1000108.9
705V22.6Very low25.9Very low99 Ų99119.4 Ų119.460%0.675%0.746SS**  cis-167.4166.9-2781.90000108.5
706E23.5Very low26.9Very low156 Ų156119.6 Ų119.673%0.72974%0.744SS**  trans53.1107.2164.1-75.2161.5-146.200119.5
707T25.8Very low26.7Very low98 Ų98117.8 Ų117.860%0.60175%0.746SS**  71.1151.578.760.30000115.4
708P31.6Very low26.7Very low118 Ų118117.6 Ų117.677%0.76674%0.743SS**  cis-102.4155.313.540.8-34.7000114.3
709N25.7Very low26.6Very low131 Ų131120 Ų12070%0.70175%0.746SS**  cis73.5136.641.9-62.9-1.8000113.6
710S27.5Very low26.8Very low92 Ų92118.6 Ų118.664%0.64374%0.743SS**  cis-170.1175.2-12.547.50000107.4
711E23.9Very low26.9Very low158 Ų158121.6 Ų121.674%0.73874%0.743SS**  cis-120.2-169.83.2-103.7112.3-77.300109.8
712S27.7Very low27.1Very low100 Ų100123.3 Ų123.370%0.69974%0.738SS**  cis77146.726.7143.70000116.4
713S26Very low27.4Very low97 Ų97123.4 Ų123.468%0.67874%0.738SS**  cis-172.3175.7-21.655.70000111.4
714S25.3Very low28.3Very low117 Ų117122.8 Ų122.882%0.81874%0.736SS**  trans81.9155.6158.778.30000121.9
715S30.8Very low28.3Very low112 Ų112122 Ų12278%0.78373%0.733SS**  trans-102.9-168173.7-39.50000109.6
716P49.1Very low28.4Very low126 Ų126124.4 Ų124.482%0.81874%0.738SS**  cis-140169.6-5.841.4-23.5000117.4
717G23.9Very low28.6Very low85 Ų85126.5 Ų126.588%0.87674%0.739SS**  trans88.8161.6146.700000119.7
718G23.8Very low28.7Very low71 Ų71129.5 Ų129.573%0.73275%0.746SS**  trans11777.4157.400000120.7
719I26.1Very low28.6Very low157 Ų157129.4 Ų129.481%0.80574%0.739SS**  53.3128.9128.6-58.3178.5000121.4
720T29Very low28.6Very low119 Ų119129.5 Ų129.573%0.7374%0.744SS**  trans70.1114156.952.50000123.8
721D27.4Very low28.8Very low131 Ų131132 Ų13270%0.70175%0.745SS**  92.9150121.8-99.5-59.8000126.7
722H28.1Very low29Very low155 Ų155129.8 Ų129.872%0.71875%0.747SS**  trans69.8102.9158.1-62.4-0.7000121.2
723K27.8Very low29Very low198 Ų198131.1 Ų131.186%0.86175%0.746SS**  17.6161.6111.5-77.9-175.1178.3177.40119.7
724P45.3Very low29.1Very low101 Ų101133.2 Ų133.266%0.65675%0.749SS**  cis-143.5-160.7-29.841.1-21.7000113.2
725L22.6Very low29.1Very low142 Ų142136.4 Ų136.474%0.74375%0.748SS**  trans69.7155.7162.2-98.775.1000116.9
726E25.6Very low29.5Very low149 Ų149136.8 Ų136.870%0.69675%0.748SS**  cis-149-160-18.1-147.6167.4-159.300112.2
727R27.5Very low28.4Very low199 Ų199135 Ų13575%0.75174%0.743SS**  trans-84.7168.6-165.6-57.7157178.7168.90.9114.3
728H28.8Very low28.5Very low161 Ų161135.1 Ų135.175%0.74574%0.736SS**  -172125.4108.8-94.1-63.7000109.4
729D28Very low28.6Very low116 Ų116139.1 Ų139.162%0.6274%0.74SS**  68.2144.8105.2-79.3-59.1000115.1
730V27.4Very low28.5Very low134 Ų134136.9 Ų136.981%0.81274%0.739SS**  -150158.261164.60000114.5
731H30.1Very low28.3Very low144 Ų144136.3 Ų136.367%0.66774%0.74SS**  trans-27.4157.7171.4-62.5-0.7000120.1
732S28.3Very low28.8Very low112 Ų112135.6 Ų135.678%0.78374%0.742SS**  -146.713857.138.20000114.9
733N28.1Very low28.6Very low127 Ų127133 Ų13368%0.67975%0.747SS**  65.7127.675.9-83.8-20.2000113.9
734I27.5Very low28.6Very low142 Ų142132.8 Ų132.873%0.72875%0.747SS**  cis-152.5138.814.1-89.7143.3000107.4
735K24.9Very low27.5Very low184 Ų184136.1 Ų136.180%0.876%0.758SS**  67.9163.660.7-95.6-168.2176.1176.60115.8
736P41Very low27.6Very low120 Ų120136 Ų13678%0.77976%0.763SS**  cis-88.2-136.2-15.839.3-33.1000110.2
737A25.6Very low27.6Very low87 Ų87131.8 Ų131.872%0.71976%0.76SS**  cis-163.4161.9-8.300000108
738A25.9Very low27.4Very low88 Ų88128.8 Ų128.873%0.72777%0.768SS**  cis-155145.6-24.900000110.7
739N25Very low27.2Very low155 Ų155125 Ų12583%0.82976%0.764SS**  trans7.4146.2140.3-56.30.4000119.5
740S24.3Very low27.1Very low111 Ų111126 Ų12678%0.77677%0.774SS**  cis-168.3-179.8-144.40000112.3
741S24.5Very low26.9Very low106 Ų106124.9 Ų124.974%0.74177%0.773SS**  trans-58.1175168.354.70000113.8
742P38.8Very low26.7Very low116 Ų116121.7 Ų121.775%0.75377%0.771SS**  cis-149.7-174.921.945.8-25.4000119.7
743A23.9Very low26.5Very low100 Ų100122.3 Ų122.383%0.82677%0.77SS**  trans80.7147.8143.700000122.7
744K28.2Very low26.4Very low194 Ų194124.1 Ų124.184%0.84377%0.774SS**  trans-63149.2-176.8-53.5163.7175.5175.90114.4
745L22.5Very low26.3Very low172 Ų172124.6 Ų124.690%0.90177%0.773SS**  -164.6-169110.3-129.782.9000113.7
746V24.3Very low26.3Very low138 Ų138122.4 Ų122.484%0.83677%0.77SS**  trans-109.6138.4-154.8170.30000114.6
747G25.2Very low25.6Very low62 Ų62121.3 Ų121.364%0.63977%0.765SS**  109.1131.612700000122.1
748C22.3Very low25.6Very low136 Ų136122.5 Ų122.592%0.91977%0.768SS**  trans68.5154.3151.3-68.90000120.3
749A25.5Very low25.5Very low81 Ų81127.1 Ų127.167%0.66978%0.775SS**  cis-170.6155.6-1800000113.4
750V25.4Very low25.4Very low137 Ų137131.6 Ų131.683%0.8378%0.78SS**  trans61.7123144.5168.50000119.7
751S24.1Very low25.5Very low111 Ų111133.4 Ų133.478%0.77678%0.78SS**  173.6177.387.4-115.40000110.6
752A25.2Very low25.7Very low77 Ų77133.8 Ų133.864%0.63678%0.779SS**  cis178.4-179.7-35.800000110.6
753V23.4Very low25.1Very low124 Ų124135.3 Ų135.375%0.75278%0.781SS**  trans75.4124.9164.3-166.80000117.2
754Q26.8Very low25.4Very low166 Ų166136.4 Ų136.478%0.77678%0.78SS**  cis102.9128.216.9-75.8-166.6-26.300117.3
755H25.9Very low25.2Very low151 Ų151135.2 Ų135.270%0.69978%0.783SS**  175.8138.9115.5-99.2-57.3000116.2
756N25.3Very low25.3Very low138 Ų138131.6 Ų131.674%0.73878%0.778SS**  trans43.2153.9133.7-65.327.1000123.2
757S25.6Very low25.3Very low97 Ų97130.8 Ų130.868%0.67877%0.773SS**  cis-174.8174.1-14.7570000112
758S24.9Very low25.3Very low113 Ų113135.7 Ų135.779%0.7978%0.783SS**  trans131.6162.4138.5-59.90000117.2
759Q24.6Very low25.3Very low185 Ų185137.2 Ų137.286%0.86478%0.777SS**  trans-117.9160-156.5-48.1153.9-66.100115.3
760R23.9Very low25.3Very low248 Ų248138.6 Ų138.694%0.93678%0.782SS**  -176.7163.6128.2-101.7172.4-141.7-1384.3114.6
761I25.3Very low25.2Very low150 Ų150137.9 Ų137.977%0.76978%0.783SS**  trans-147.3141-171.9-76.8173.1000105.4
762P28.5Very low25.3Very low113 Ų113141.8 Ų141.873%0.73479%0.789SS**  -157.8147.181.341-18.8000121.3
763D26.8Very low25.2Very low149 Ų149147 Ų14780%0.79780%0.8SS**  trans50.2156.7130.1-58.2-21.2000126
764P30.6Very low25.4Very low122 Ų122146.8 Ų146.879%0.79280%0.804SS**  trans-123.2-173.1-162.142.4-25.3000115.8
765N23Very low25.6Very low169 Ų169144.7 Ų144.790%0.90481%0.807SS**  trans-82164.5176.2-90-17.8000114.2
766A25.2Very low25.6Very low97 Ų97146.5 Ų146.580%0.80282%0.816SS**  trans-88.2160.6-179.800000115.2
767T24.4Very low25.8Very low120 Ų120145.5 Ų145.574%0.73682%0.82SS**  trans-40.8155.9171.4-23.10000116.9
768I24.6Very low25.9Very low166 Ų166145.3 Ų145.385%0.85182%0.819SS**  -165.1149.4122.8-103.1161.3000112
769E23.1Very low26.3Very low167 Ų167146.9 Ų146.978%0.7881%0.808SS**  trans-84.4179.3177.5-68155.2134.200110.9
770S24.7Very low26.2Very low111 Ų111144.5 Ų144.578%0.77680%0.802SS**  cis-173.7149.1-2248.90000106.9
771S24.2Very low26.5Very low122 Ų122141.2 Ų141.285%0.85380%0.799SS**  trans-164.7134.5158.657.60000111.9
772E25.2Very low26.5Very low193 Ų193139.9 Ų139.990%0.90280%0.798SS**  trans-90.9152.4174.9-53.4177.9125.600111
773E23.9Very low26.6Very low186 Ų186141.2 Ų141.287%0.86979%0.794SS**  -178.5154.7123.8-108.9-170.5179.800114.2
774S25.9Very low26.5Very low119 Ų119142 Ų14283%0.83280%0.797SS**  trans66.9136.4163.577.10000118.6
775S32.8Very low26.3Very low122 Ų122143.6 Ų143.685%0.85380%0.799SS**  trans-123.3103.7-175620000112.3
776E25.6Very low26.6Very low190 Ų190144.6 Ų144.689%0.88880%0.798SS**  trans-116141.8166-65.7-161.6142.500110.6S778E776-S778 PolarHBondContact O-N 3.34Å
777S29.4Very low26.6Very low117 Ų117148 Ų14882%0.81880%0.803SS**  trans-82.873.9-167.664.40000113.4
778S28Very low26.7Very low92 Ų92145.3 Ų145.364%0.64380%0.8SS**  trans-70.5155.6165.1-167.10000111.8E776 D780E776-S778 PolarHBondContact O-N 3.34Å; S778-D780 PolarHBondContact OG-OD2 3.37Å
779Y31.9Very low26.8Very low146 Ų146147 Ų14757%0.57380%0.804SS**  trans-116.969175.2-93.3-109.9000109.9P1054Y779-P1054 HydrophobicContact CD1-CB 4.47Å; Y779-P1054 HydrophobicContact CD1-CG 4.25Å; Y779-P1054 HydrophobicContact CE1-CB 3.64Å; Y779-P1054 HydrophobicContact CE1-CG 3.48Å; Y779-P1054 VanDerWaalsContact CE1-CG 3.48Å; Y779-P1054 HydrophobicContact CE2-CB 4.46Å
780D24.1Very low27Very low136 Ų136148.2 Ų148.273%0.72781%0.809SS**  trans-107.7122.5166.5-77.4-57.6000110.3S778S778-D780 PolarHBondContact OG-OD2 3.37Å
781M28.8Very low27Very low179 Ų179147.9 Ų147.988%0.88281%0.807SS**  trans-92.494.6171.2-78.6-72.6-59.800108.4E783M781-E783 PolarHBondContact O-N 3.05Å
782V24.9Very low27Very low122 Ų122149.3 Ų149.374%0.73981%0.805SS**  trans-69.3123.2172.81800000109.2L784V782-L784 PolarHBondContact O-N 3.34Å
783E30.6Very low27.4Very low141 Ų141149.4 Ų149.466%0.65981%0.805SS**  trans-69.7114.5169.9-75.2-167.7124.200109.7M781 N785 K848M781-E783 PolarHBondContact O-N 3.05Å; E783-N785 PolarHBondContact O-N 3.48Å; E783-K848 IonicContact OE1-NZ 2.91Å; E783-K848 PolarHBondContact OE1-NZ 2.91Å
784L25.4Very low27.5Very low165 Ų165146.8 Ų146.886%0.86480%0.802SS**  trans-81.8109.6165.7-79.3170.5000109.6V782 E786V782-L784 PolarHBondContact O-N 3.34Å; L784-E786 PolarHBondContact O-N 2.83Å
785N27.6Very low27.4Very low155 Ų155146.8 Ų146.883%0.82980%0.797SS**  trans-73.4108.6167.6-84.2-49.7000109.8E783E783-N785 PolarHBondContact O-N 3.48Å
786E27.4Very low27.6Very low190 Ų190147 Ų14789%0.88880%0.798SS**  trans-88.3119.1162-71.8-167.8154.800110L784L784-E786 PolarHBondContact O-N 2.83Å
787N26.4Very low27.7Very low169 Ų169142.3 Ų142.390%0.90479%0.792SS**  trans-149106169.6-138.3-8.9000110.8
788G25.3Very low27.6Very low64 Ų64148.2 Ų148.266%0.6680%0.796SS**  trans93.2102.6168.300000116.7
789H26.9Very low27.7Very low202 Ų202153.5 Ų153.594%0.93581%0.808SS**  -161.2147.294.1-103.5-77.1000111.5
790Q28Very low27.7Very low191 Ų191150.5 Ų150.589%0.89381%0.813SS**  trans-111.6131.2178.2-73.3-177.7-24.800111.6
791S25.4Very low28.5Very low105 Ų105149.4 Ų149.473%0.73481%0.813SS**  trans-171.8143.6148.556.90000108
792N23.9Very low29.7Very low151 Ų151148.4 Ų148.481%0.80781%0.806SS**  cis-136.6165-12.7-87.2-34.2000108.6V794N792-V794 PolarHBondContact O-N 2.95Å
793E32.3Very low31.3Very low196 Ų196149.9 Ų149.992%0.91681%0.81SS**  trans-66.6125.6177-69-171.110800112.9
794V26.6Very low33.5Very low130 Ų130150 Ų15079%0.78881%0.808SS**  trans-130.898.8160.9179.90000109.5N792N792-V794 PolarHBondContact O-N 2.95Å
795T23.4Very low36.2Very low119 Ų119144.1 Ų144.173%0.7378%0.778SS**  trans29.6107.4157.556.10000119.8A797T795-A797 PolarHBondContact O-N 3.15Å
796S37Very low39.1Very low127 Ų127141.8 Ų141.889%0.88877%0.769SS**  43.151.4127.7-156.20000118.4
797A27.5Very low42Very low91 Ų91137 Ų13775%0.75275%0.75SS**  trans-83.8118.2157.500000108.9T795 K799T795-A797 PolarHBondContact O-N 3.15Å; A797-K799 PolarHBondContact O-N 3.33Å
798R29.3Very low45.3Very low241 Ų241129 Ų12991%0.90971%0.707SS**  trans-58.1112173.5-71.5174.5173.8165.5-3.5109A800R798-A800 PolarHBondContact O-N 3.2Å; R798-A800 VanDerWaalsContact O-N 3.17Å
799K29.6Very low48.5Very low204 Ų204127.3 Ų127.389%0.88768%0.681SS**PPolyproline II helixtrans-57.5122.8157.5-77.9-170.7175.8-177.70106.7A797A797-K799 PolarHBondContact O-N 3.33Å
800A30.5Very low51.7Low83 Ų83118.8 Ų118.869%0.68664%0.644SS**PPolyproline II helixtrans-55146.817800000109.6R798 Q802R798-A800 PolarHBondContact O-N 3.2Å; R798-A800 VanDerWaalsContact O-N 3.17Å; A800-Q802 PolarHBondContact O-N 3.1Å
801P41Very low54.8Low112 Ų112110.4 Ų110.473%0.72761%0.606SS**PPolyproline II helixtrans-56.4133.617525.7-33.9000108.9N803P801-N803 PolarHBondContact O-N 2.81Å
802Q54.3Low57.9Low158 Ų158109.2 Ų109.274%0.73859%0.591SS**PPolyproline II helixtrans-50.8130.2168.5-70.8174.5-31.900108A800 K804A800-Q802 PolarHBondContact O-N 3.1Å; Q802-K804 VanDerWaalsContact C-N 3.26Å; Q802-K804 PolarHBondContact O-N 3.22Å
803N59.1Low61.1Low154 Ų154108.2 Ų108.282%0.82458%0.577SS**  trans-66.586-175.6-89.6-15.8000110.1P801 N805P801-N803 PolarHBondContact O-N 2.81Å; N803-N805 PolarHBondContact O-N 3.24Å
804K76.3Confident63.6Low142 Ų142102.7 Ų102.762%0.61756%0.558SS**  trans-60.8101.3174.4-71.9-168.8171.6-155.80108.8Q802 T806 C811Q802-K804 VanDerWaalsContact C-N 3.26Å; Q802-K804 PolarHBondContact O-N 3.22Å; K804-T806 PolarHBondContact O-N 2.85Å; K804-C811 HydrophobicContact CB-CB 4.22Å; K804-C811 PolarHBondContact NZ-O 2.66Å
805N82.9Confident66.2Low42 Ų4299 Ų9923%0.22554%0.538CS..  trans-56.5113.8170.8-178.7-28.8000108.2N803 L807 C808 C811 C837 T872N803-N805 PolarHBondContact O-N 3.24Å; N805-L807 PolarHBondContact O-N 3.28Å; N805-L807 WeakPolarHBondContact OD1-CA 3.5Å; N805-L807 WeakPolarHBondContact OD1-CB 3.39Å; N805-L807 PolarHBondContact OD1-N 3.3Å; N805-C808 HydrophobicContact CB-CB 3.93Å; N805-C808 WeakPolarHBondContact O-CB 3.37Å; N805-C808 PolarHBondContact O-N 2.84Å; N805-C808 PolarHBondContact OD1-N 3.44Å; N805-C811 VanDerWaalsContact O-CB 3.31Å; N805-C811 WeakPolarHBondContact O-CB 3.34Å; N805-C837 HydrophobicContact CB-CB 4.16Å; N805-T872 PolarHBondContact ND2-O 2.85Å
806T88.1Confident68.4Low106 Ų106100.1 Ų100.165%0.6555%0.545SS*.THydrogen-bonded Turntrans-70.4-11.1-175.246.80000113.4K804K804-T806 PolarHBondContact O-N 2.85Å
807L89Confident69.8Low90 Ų9098.8 Ų98.847%0.47153%0.532SS..THydrogen-bonded Turntrans-97.9-3.7173.8-48.2176.8000112.4L314 N805 L874L314-L807 WeakPolarHBondContact CD1-O 3.08Å; N805-L807 PolarHBondContact O-N 3.28Å; N805-L807 WeakPolarHBondContact OD1-CA 3.5Å; N805-L807 WeakPolarHBondContact OD1-CB 3.39Å; N805-L807 PolarHBondContact OD1-N 3.3Å; L807-L874 HydrophobicContact CB-CD1 3.8Å; L807-L874 HydrophobicContact CB-CD2 4.49Å; L807-L874 HydrophobicContact CB-CG 4.47Å; L807-L874 WeakPolarHBondContact O-CD1 3.41Å
808C94.1Very high71.5Confident0 Ų099.4 Ų99.40%054%0.537CS..  trans-92118.6178.5170.30000111.1N805 S810 C811 L812 C837 L874N805-C808 HydrophobicContact CB-CB 3.93Å; N805-C808 WeakPolarHBondContact O-CB 3.37Å; N805-C808 PolarHBondContact O-N 2.84Å; N805-C808 PolarHBondContact OD1-N 3.44Å; C808-S810 PolarHBondContact O-N 3.33Å; C808-C811 HydrophobicContact CB-CB 3.94Å; C808-C811 WeakPolarHBondContact O-CB 3.48Å; C808-C811 PolarHBondContact O-N 3.43Å; C808-C811 VanDerWaalsContact SG-SG 3.64Å; C808-L812 PolarHBondContact O-N 3.35Å; C808-C837 HydrophobicContact CB-CB 3.9Å; C808-C837 PolarHBondContact SG-N 3Å; C808-C837 VanDerWaalsContact SG-SG 3.6Å; C808-L874 HydrophobicContact CB-CD2 3.94Å
809Y94.2Very high73.1Confident30 Ų3089.5 Ų89.512%0.11851%0.506CS..Hα-helixtrans-50.9-51.5178.5-173.9-82.4000112.1L314 C811 L812 Y813 H827 Q830 A831 A834 G835L314-Y809 HydrophobicContact CD2-CD2 3.78Å; Y809-C811 PolarHBondContact O-N 3.4Å; Y809-L812 PolarHBondContact O-N 2.92Å; Y809-L812 VanDerWaalsContact O-N 3.14Å; Y809-Y813 HydrophobicContact CD1-CD2 4.29Å; Y809-Y813 AromaticContact CD2-CD2 3.9Å; Y809-Y813 HydrophobicContact CD2-CD2 3.9Å; Y809-Y813 HydrophobicContact CD2-CE2 4.33Å; Y809-Y813 HydrophobicContact CE1-CD2 4.17Å; Y809-Y813 HydrophobicContact CE1-CG 4.48Å; Y809-Y813 AromaticContact CE2-CD2 3.77Å; Y809-Y813 HydrophobicContact CE2-CD2 3.77Å; Y809-Y813 HydrophobicContact CE2-CE2 4.21Å; Y809-Y813 HydrophobicContact CG-CD2 4.15Å; Y809-Y813 AromaticContact CZ-CD2 3.9Å; Y809-Y813 PolarHBondContact O-N 3.22Å; Y809-H827 AromaticContact CE1-CE1 3.79Å; Y809-Q830 HydrophobicContact CE1-CB 4.35Å; Y809-Q830 PolarHBondContact OH-OE1 3.15Å; Y809-Q830 VanDerWaalsContact OH-OE1 3.13Å; Y809-A831 HydrophobicContact CD1-CB 3.67Å; Y809-A831 HydrophobicContact CE1-CB 4.37Å; Y809-A831 HydrophobicContact CG-CB 4.32Å; Y809-A834 HydrophobicContact CD2-CB 3.55Å; Y809-A834 HydrophobicContact CE2-CB 4.37Å; Y809-A834 HydrophobicContact CG-CB 4.04Å; Y809-G835 WeakPolarHBondContact CB-O 3.35Å; Y809-G835 PolarHBondContact N-O 3.05Å
810S92.9Very high75Confident23 Ų2383.4 Ų83.416%0.16149%0.488CS..Hα-helixtrans-69-12.3-179.6-47.50000115.1C808 A831 I836C808-S810 PolarHBondContact O-N 3.33Å; S810-A831 WeakPolarHBondContact OG-CB 3.47Å; S810-I836 WeakPolarHBondContact OG-CD1 3.44Å
811C92.8Very high77Confident14 Ų1483.5 Ų83.510%0.09547%0.474CS..Hα-helixtrans-83.5-33.8173-76.70000111.7K804 N805 C808 Y809K804-C811 HydrophobicContact CB-CB 4.22Å; K804-C811 PolarHBondContact NZ-O 2.66Å; N805-C811 VanDerWaalsContact O-CB 3.31Å; N805-C811 WeakPolarHBondContact O-CB 3.34Å; C808-C811 HydrophobicContact CB-CB 3.94Å; C808-C811 WeakPolarHBondContact O-CB 3.48Å; C808-C811 PolarHBondContact O-N 3.43Å; C808-C811 VanDerWaalsContact SG-SG 3.64Å; Y809-C811 PolarHBondContact O-N 3.4Å
812L91.7Very high78.8Confident80 Ų8079 Ų7942%0.41944%0.442SS..Hα-helixtrans-80.2-43.9175.5-59.7177.7000111.4L314 C808 Y809L314-L812 HydrophobicContact CD1-CD1 4.01Å; L314-L812 HydrophobicContact CD2-CD1 4.12Å; C808-L812 PolarHBondContact O-N 3.35Å; Y809-L812 PolarHBondContact O-N 2.92Å; Y809-L812 VanDerWaalsContact O-N 3.14Å
813Y90.3Very high80.5Confident130 Ų13076.5 Ų76.551%0.5143%0.431SS..SBendtrans-124.882-175.7-48.2-70.8000109.7L314 Y809 H827L314-Y813 HydrophobicContact CD2-CE2 4.12Å; Y809-Y813 HydrophobicContact CD1-CD2 4.29Å; Y809-Y813 AromaticContact CD2-CD2 3.9Å; Y809-Y813 HydrophobicContact CD2-CD2 3.9Å; Y809-Y813 HydrophobicContact CD2-CE2 4.33Å; Y809-Y813 HydrophobicContact CE1-CD2 4.17Å; Y809-Y813 HydrophobicContact CE1-CG 4.48Å; Y809-Y813 AromaticContact CE2-CD2 3.77Å; Y809-Y813 HydrophobicContact CE2-CD2 3.77Å; Y809-Y813 HydrophobicContact CE2-CE2 4.21Å; Y809-Y813 HydrophobicContact CG-CD2 4.15Å; Y809-Y813 AromaticContact CZ-CD2 3.9Å; Y809-Y813 PolarHBondContact O-N 3.22Å; Y813-H827 PolarHBondContact O-CE1 3.07Å
814P85.4Confident82Confident80 Ų8069.4 Ų69.452%0.51939%0.393SS..  trans-67.4140.1175.2-1832.3000111.2
815S81.4Confident82.7Confident52 Ų5264.2 Ų64.236%0.36437%0.374SS..  trans-61.7139.9169.3-170.70000111T817 H827S815-T817 PolarHBondContact OG-N 3.39Å; S815-T817 VanDerWaalsContact OG-N 3.16Å; S815-T817 PolarHBondContact OG-O 2.67Å; S815-T817 PolarHBondContact OG-OG1 3.06Å; S815-H827 PolarHBondContact N-NE2 2.82Å
816T70Confident83.1Confident144 Ų14468.1 Ų68.188%0.88339%0.392SS*.SBendtrans-99-7.2169.351.70000112.8
817T64.7Low83.2Confident99 Ų9965 Ų6561%0.60737%0.369SS*.SBendtrans-115.5136.6178.646.10000111.3S815S815-T817 PolarHBondContact OG-N 3.39Å; S815-T817 VanDerWaalsContact OG-N 3.16Å; S815-T817 PolarHBondContact OG-O 2.67Å; S815-T817 PolarHBondContact OG-OG1 3.06Å
818A63.5Low83.4Confident104 Ų10461.3 Ų61.386%0.8635%0.35SS*.PPolyproline II helixtrans-78.7116.6164.800000108.6
819A62.9Low83.4Confident32 Ų3261.7 Ų61.726%0.26435%0.352SS..PPolyproline II helixtrans-76.3160.5164.300000109.8
820P70.8Confident83.4Confident77 Ų7762.3 Ų62.350%0.536%0.356SS..PPolyproline II helixtrans-55.1149.1164.9-23.535.8000110.9F822 E823 R844P820-F822 PolarHBondContact O-N 2.87Å; P820-E823 HydrophobicContact CB-CB 3.9Å; P820-E823 HydrophobicContact CG-CB 4.14Å; P820-E823 PolarHBondContact O-N 2.75Å; P820-R844 PolarHBondContact O-NH2 2.88Å
821E70.9Confident83.5Confident85 Ų8561.3 Ų61.340%0.39735%0.349SS..THydrogen-bonded Turntrans-55-35.8-163.1-154.5167.5147.100112.7R844 S847E821-R844 PolarHBondContact O-NH1 2.58Å; E821-S847 WeakPolarHBondContact OE1-CA 3.49Å; E821-S847 WeakPolarHBondContact OE1-CB 3.35Å; E821-S847 PolarHBondContact OE1-OG 3.48Å
822F79.8Confident83.6Confident16 Ų1660.8 Ų60.87%0.0735%0.345CS..THydrogen-bonded Turntrans-125.410.1-179-55.7-70.3000115.3P820 E850 F852 I923 I972P820-F822 PolarHBondContact O-N 2.87Å; F822-E850 HydrophobicContact CD2-CB 4.4Å; F822-E850 WeakPolarHBondContact CD2-OE2 3.41Å; F822-E850 HydrophobicContact CE2-CB 3.52Å; F822-E850 HydrophobicContact CE2-CG 3.81Å; F822-E850 VanDerWaalsContact CE2-OE2 3.29Å; F822-E850 WeakPolarHBondContact CE2-OE2 3.2Å; F822-E850 HydrophobicContact CZ-CB 3.86Å; F822-F852 AromaticContact CD1-CE2 3.9Å; F822-F852 HydrophobicContact CD1-CE2 3.9Å; F822-F852 AromaticContact CD1-CZ 3.46Å; F822-F852 HydrophobicContact CD1-CZ 3.46Å; F822-F852 VanDerWaalsContact CD1-CZ 3.46Å; F822-F852 HydrophobicContact CD2-CZ 4.16Å; F822-F852 AromaticContact CE1-CE2 3.51Å; F822-F852 HydrophobicContact CE1-CE2 3.51Å; F822-F852 AromaticContact CE1-CZ 3.56Å; F822-F852 HydrophobicContact CE1-CZ 3.56Å; F822-F852 HydrophobicContact CE2-CZ 4.27Å; F822-F852 AromaticContact CG-CZ 3.76Å; F822-F852 HydrophobicContact CG-CZ 3.76Å; F822-F852 AromaticContact CZ-CE2 3.86Å; F822-F852 HydrophobicContact CZ-CE2 3.86Å; F822-F852 AromaticContact CZ-CZ 3.96Å; F822-F852 HydrophobicContact CZ-CZ 3.96Å; F822-I923 HydrophobicContact CD1-CD1 4.21Å; F822-I923 HydrophobicContact CE1-CD1 4.2Å; F822-I972 HydrophobicContact CB-CB 4.33Å; F822-I972 PolarHBondContact O-N 2.85Å
823E89.1Confident83.8Confident106 Ų10658 Ų5850%0.49533%0.33SS..BIsolated β-bridgetrans-93.2125.3169.9-166.1178.8-177.400109.6P820 S825 R844P820-E823 HydrophobicContact CB-CB 3.9Å; P820-E823 HydrophobicContact CG-CB 4.14Å; P820-E823 PolarHBondContact O-N 2.75Å; E823-S825 PolarHBondContact O-N 3.11Å; E823-R844 PolarHBondContact O-NH2 3Å
824L91.4Very high84Confident6 Ų652.5 Ų52.53%0.03131%0.312CS..  trans-79.7107-177.7-70.3171.6000111D828 Y829 L832 F845 L864 L967 D970 I972L824-D828 HydrophobicContact CD2-CB 3.96Å; L824-Y829 HydrophobicContact CB-CD2 3.87Å; L824-Y829 HydrophobicContact CB-CE2 3.52Å; L824-Y829 HydrophobicContact CD1-CE2 4.16Å; L824-Y829 HydrophobicContact CG-CE2 4.49Å; L824-L832 HydrophobicContact CD2-CD1 3.96Å; L824-F845 HydrophobicContact CD2-CE1 4.21Å; L824-F845 HydrophobicContact CD2-CZ 4.06Å; L824-L864 HydrophobicContact CD1-CD1 3.67Å; L824-L864 HydrophobicContact CD1-CG 4.47Å; L824-L967 HydrophobicContact CD1-CD1 4.07Å; L824-L967 HydrophobicContact CD1-CD2 3.72Å; L824-D970 HydrophobicContact CB-CB 4.46Å; L824-D970 WeakPolarHBondContact CB-O 3.38Å; L824-D970 PolarHBondContact N-O 3.25Å; L824-I972 HydrophobicContact CD1-CG1 4.24Å; L824-I972 HydrophobicContact CD2-CD1 4.09Å; L824-I972 HydrophobicContact CG-CD1 4.22Å; L824-I972 HydrophobicContact CG-CG1 4.14Å
825S91.3Very high84.4Confident32 Ų3248.7 Ų48.722%0.22429%0.287CS..  trans-68.6160.817270.60000111.7E823 H827 D828 Y829E823-S825 PolarHBondContact O-N 3.11Å; S825-H827 PolarHBondContact O-N 3.34Å; S825-H827 VanDerWaalsContact O-N 3.13Å; S825-D828 WeakPolarHBondContact CB-OD2 3.44Å; S825-D828 PolarHBondContact N-OD2 2.73Å; S825-D828 WeakPolarHBondContact O-CB 3.39Å; S825-D828 PolarHBondContact O-N 3.36Å; S825-D828 PolarHBondContact OG-N 3.05Å; S825-D828 VanDerWaalsContact OG-N 3.17Å; S825-D828 PolarHBondContact OG-OD2 3.44Å; S825-Y829 PolarHBondContact O-N 2.62Å
826Q90.4Very high85.1Confident125 Ų12546.5 Ų46.558%0.58427%0.271SS*.Hα-helixtrans-57.2-29.1173.7-164.5-176.727.200112.3W367 Q830W367-Q826 HydrophobicContact CH2-CG 4.25Å; W367-Q826 HydrophobicContact CZ3-CG 4.12Å; Q826-Q830 WeakPolarHBondContact O-CB 3.46Å; Q826-Q830 VanDerWaalsContact O-CG 3.25Å; Q826-Q830 WeakPolarHBondContact O-CG 2.99Å; Q826-Q830 PolarHBondContact O-N 2.6Å
827H91Very high86.2Confident40 Ų4040.2 Ų40.219%0.18523%0.233CC..Hα-helixtrans-70.4-40.9173.3-178.985.9000112.2Y809 Y813 S815 S825 Q830 A831Y809-H827 AromaticContact CE1-CE1 3.79Å; Y813-H827 PolarHBondContact O-CE1 3.07Å; S815-H827 PolarHBondContact N-NE2 2.82Å; S825-H827 PolarHBondContact O-N 3.34Å; S825-H827 VanDerWaalsContact O-N 3.13Å; H827-Q830 PolarHBondContact O-N 2.96Å; H827-A831 WeakPolarHBondContact O-CB 3.29Å; H827-A831 PolarHBondContact O-N 3.18Å
828D93.4Very high87.4Confident13 Ų1336.4 Ų36.47%0.0721%0.209CC..Hα-helixtrans-61.3-47.1176.1-61.6-49.5000110.7L824 S825 Q830 A831 L832 R844L824-D828 HydrophobicContact CD2-CB 3.96Å; S825-D828 WeakPolarHBondContact CB-OD2 3.44Å; S825-D828 PolarHBondContact N-OD2 2.73Å; S825-D828 WeakPolarHBondContact O-CB 3.39Å; S825-D828 PolarHBondContact O-N 3.36Å; S825-D828 PolarHBondContact OG-N 3.05Å; S825-D828 VanDerWaalsContact OG-N 3.17Å; S825-D828 PolarHBondContact OG-OD2 3.44Å; D828-Q830 PolarHBondContact O-N 3.07Å; D828-A831 PolarHBondContact O-N 3.47Å; D828-L832 VanDerWaalsContact O-CB 3.28Å; D828-L832 WeakPolarHBondContact O-CB 3.49Å; D828-L832 WeakPolarHBondContact O-CD1 3.38Å; D828-L832 VanDerWaalsContact O-CG 3.22Å; D828-L832 WeakPolarHBondContact O-CG 3.31Å; D828-L832 PolarHBondContact O-N 2.97Å; D828-R844 VanDerWaalsContact OD1-CD 3.31Å; D828-R844 WeakPolarHBondContact OD1-CD 3.36Å; D828-R844 IonicContact OD1-CZ 2.67Å; D828-R844 IonicContact OD1-NE 2.74Å; D828-R844 PolarHBondContact OD1-NE 2.73Å; D828-R844 IonicContact OD1-NH2 2.74Å; D828-R844 IonicContact OD2-CZ 3.47Å; D828-R844 IonicContact OD2-NE 3.19Å; D828-R844 PolarHBondContact OD2-NE 2.99Å; D828-R844 IonicContact OD2-NH2 2.86Å; D828-R844 PolarHBondContact OD2-NH2 3.41Å
829Y94.4Very high88.6Confident7 Ų737.4 Ų37.43%0.02720%0.195CC..Hα-helixtrans-56.6-48.8172.3-86.6-79.2000112.2K366 W367 L824 S825 A831 L832 L833 L864 E879 D970K366-Y829 PolarHBondContact NZ-OH 3.31Å; W367-Y829 HydrophobicContact CZ2-CD1 4.24Å; W367-Y829 HydrophobicContact CZ2-CG 4.16Å; L824-Y829 HydrophobicContact CB-CD2 3.87Å; L824-Y829 HydrophobicContact CB-CE2 3.52Å; L824-Y829 HydrophobicContact CD1-CE2 4.16Å; L824-Y829 HydrophobicContact CG-CE2 4.49Å; S825-Y829 PolarHBondContact O-N 2.62Å; Y829-A831 VanDerWaalsContact C-N 3.33Å; Y829-A831 PolarHBondContact O-N 3.31Å; Y829-L832 PolarHBondContact O-N 3.44Å; Y829-L833 WeakPolarHBondContact O-CB 3.5Å; Y829-L833 WeakPolarHBondContact O-CG 3.37Å; Y829-L833 PolarHBondContact O-N 3.49Å; Y829-L864 HydrophobicContact CD1-CD1 4.48Å; Y829-L864 HydrophobicContact CD1-CD2 4.27Å; Y829-L864 HydrophobicContact CE1-CD1 4.28Å; Y829-L864 HydrophobicContact CE1-CD2 3.96Å; Y829-L864 HydrophobicContact CE1-CG 4.35Å; Y829-E879 HydrophobicContact CD1-CG 4.43Å; Y829-E879 HydrophobicContact CE1-CG 3.95Å; Y829-D970 HydrophobicContact CE2-CB 4.3Å; Y829-D970 VanDerWaalsContact CE2-OD1 3.26Å; Y829-D970 WeakPolarHBondContact CE2-OD1 3.5Å; Y829-D970 PolarHBondContact OH-OD1 3.02Å
830Q93.4Very high90Very high43 Ų4336.3 Ų36.320%0.20119%0.186CC..Hα-helixtrans-59.8-42.2178.3-76.117417.200112W367 Y809 Q826 H827 D828 A834W367-Q830 HydrophobicContact CH2-CG 4.22Å; W367-Q830 HydrophobicContact CZ3-CG 4.25Å; Y809-Q830 HydrophobicContact CE1-CB 4.35Å; Y809-Q830 PolarHBondContact OH-OE1 3.15Å; Y809-Q830 VanDerWaalsContact OH-OE1 3.13Å; Q826-Q830 WeakPolarHBondContact O-CB 3.46Å; Q826-Q830 VanDerWaalsContact O-CG 3.25Å; Q826-Q830 WeakPolarHBondContact O-CG 2.99Å; Q826-Q830 PolarHBondContact O-N 2.6Å; H827-Q830 PolarHBondContact O-N 2.96Å; D828-Q830 PolarHBondContact O-N 3.07Å; Q830-A834 WeakPolarHBondContact O-CB 3.43Å; Q830-A834 PolarHBondContact O-N 3.23Å
831A94.1Very high91Very high2 Ų232.7 Ų32.72%0.01716%0.162CC..Hα-helixtrans-67-43.3177.800000112.9Y809 S810 H827 D828 Y829 G835 I836Y809-A831 HydrophobicContact CD1-CB 3.67Å; Y809-A831 HydrophobicContact CE1-CB 4.37Å; Y809-A831 HydrophobicContact CG-CB 4.32Å; S810-A831 WeakPolarHBondContact OG-CB 3.47Å; H827-A831 WeakPolarHBondContact O-CB 3.29Å; H827-A831 PolarHBondContact O-N 3.18Å; D828-A831 PolarHBondContact O-N 3.47Å; Y829-A831 VanDerWaalsContact C-N 3.33Å; Y829-A831 PolarHBondContact O-N 3.31Å; A831-G835 CarbonylContact O-C 3.56Å; A831-G835 PolarHBondContact O-N 3.11Å; A831-I836 HydrophobicContact CB-CD1 4.42Å
832L95.6Very high91.7Very high4 Ų431.4 Ų31.42%0.02116%0.156CC..Hα-helixtrans-67.2-42.9179.6-74.9162.7000111.9L824 D828 Y829 I836 L841 F845 L864 L866 A877L824-L832 HydrophobicContact CD2-CD1 3.96Å; D828-L832 VanDerWaalsContact O-CB 3.28Å; D828-L832 WeakPolarHBondContact O-CB 3.49Å; D828-L832 WeakPolarHBondContact O-CD1 3.38Å; D828-L832 VanDerWaalsContact O-CG 3.22Å; D828-L832 WeakPolarHBondContact O-CG 3.31Å; D828-L832 PolarHBondContact O-N 2.97Å; Y829-L832 PolarHBondContact O-N 3.44Å; L832-I836 HydrophobicContact CD2-CG2 4.02Å; L832-L841 HydrophobicContact CD2-CD1 3.67Å; L832-F845 HydrophobicContact CD1-CZ 4.35Å; L832-L864 HydrophobicContact CD1-CD1 3.77Å; L832-L866 HydrophobicContact CD2-CD2 4.29Å; L832-A877 HydrophobicContact CB-CB 3.8Å; L832-A877 PolarHBondContact O-N 3.49Å
833L95.6Very high92.1Very high20 Ų2037.7 Ų37.711%0.10518%0.179CC..Hα-helixtrans-72.9-32.7178.2-64.4174.1000112.6F312 W367 Y829 A877F312-L833 HydrophobicContact CB-CB 3.77Å; F312-L833 HydrophobicContact CD1-CB 4.02Å; F312-L833 HydrophobicContact CD1-CD1 3.85Å; F312-L833 HydrophobicContact CD2-CB 4.23Å; F312-L833 HydrophobicContact CD2-CD1 4.05Å; F312-L833 HydrophobicContact CE1-CD1 3.8Å; F312-L833 HydrophobicContact CE2-CD1 4.01Å; F312-L833 HydrophobicContact CG-CB 3.72Å; F312-L833 HydrophobicContact CG-CD1 3.99Å; F312-L833 HydrophobicContact CG-CG 4.48Å; F312-L833 HydrophobicContact CZ-CD1 3.9Å; W367-L833 HydrophobicContact CH2-CD1 4.45Å; W367-L833 HydrophobicContact CZ2-CD1 3.64Å; Y829-L833 WeakPolarHBondContact O-CB 3.5Å; Y829-L833 WeakPolarHBondContact O-CG 3.37Å; Y829-L833 PolarHBondContact O-N 3.49Å; L833-A877 HydrophobicContact CD2-CB 4.46Å; L833-A877 WeakPolarHBondContact CD2-O 3.19Å
834A94.1Very high92Very high15 Ų1535.1 Ų35.112%0.12417%0.165CC..Hα-helixtrans-81.7-32.2-179.600000114.2F312 Y809 Q830F312-A834 WeakPolarHBondContact O-CA 3.13Å; F312-A834 WeakPolarHBondContact O-CB 3.48Å; Y809-A834 HydrophobicContact CD2-CB 3.55Å; Y809-A834 HydrophobicContact CE2-CB 4.37Å; Y809-A834 HydrophobicContact CG-CB 4.04Å; Q830-A834 WeakPolarHBondContact O-CB 3.43Å; Q830-A834 PolarHBondContact O-N 3.23Å
835G95Very high91.7Very high0 Ų035 Ų350%017%0.165CC..  trans125.8121.1-177.400000112.6Y809 A831 W875Y809-G835 WeakPolarHBondContact CB-O 3.35Å; Y809-G835 PolarHBondContact N-O 3.05Å; A831-G835 CarbonylContact O-C 3.56Å; A831-G835 PolarHBondContact O-N 3.11Å; G835-W875 WeakPolarHBondContact CA-O 3.17Å
836I95.3Very high91.2Very high6 Ų639.3 Ų39.33%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-129.5130.7-177.6-172.6173.4000110.8S810 A831 L832 C840 L841 W875S810-I836 WeakPolarHBondContact OG-CD1 3.44Å; A831-I836 HydrophobicContact CB-CD1 4.42Å; L832-I836 HydrophobicContact CD2-CG2 4.02Å; I836-C840 HydrophobicContact CD1-CB 3.8Å; I836-C840 HydrophobicContact CG1-CB 3.48Å; I836-C840 VanDerWaalsContact CG1-CB 3.48Å; I836-L841 HydrophobicContact CD1-CB 4.34Å; I836-L841 HydrophobicContact CD1-CD1 4.46Å; I836-L841 HydrophobicContact CG1-CB 4.44Å; I836-L841 HydrophobicContact CG2-CB 4.31Å; I836-L841 HydrophobicContact CG2-CD1 4.14Å; I836-W875 HydrophobicContact CG2-CB 4.02Å; I836-W875 PolarHBondContact N-O 2.9Å; I836-W875 WeakPolarHBondContact O-CB 3.37Å; I836-W875 PolarHBondContact O-N 2.84Å
837C93.6Very high90.3Very high12 Ų1233.6 Ų33.68%0.08115%0.151CC..EExtended strand (participates in β ladder)trans-71.6154.4178.2700000111.5N805 C808 E839 C840 L841 G873 L874N805-C837 HydrophobicContact CB-CB 4.16Å; C808-C837 HydrophobicContact CB-CB 3.9Å; C808-C837 PolarHBondContact SG-N 3Å; C808-C837 VanDerWaalsContact SG-SG 3.6Å; C837-E839 PolarHBondContact O-N 3.3Å; C837-E839 VanDerWaalsContact O-N 3.16Å; C837-C840 PolarHBondContact O-N 2.89Å; C837-C840 VanDerWaalsContact SG-SG 3.62Å; C837-L841 PolarHBondContact O-N 2.97Å; C837-G873 WeakPolarHBondContact CA-O 3.37Å; C837-L874 HydrophobicContact CB-CD2 4.08Å
838H89.4Confident88.9Confident20 Ų2038.6 Ų38.69%0.09317%0.172CC..Hα-helixtrans-56.7-35-174.9-167.164.7000113.3L841 Q842 W875 E931H838-L841 PolarHBondContact O-N 2.85Å; H838-Q842 PolarHBondContact CD2-NE2 3.04Å; H838-Q842 PolarHBondContact NE2-NE2 3.41Å; H838-Q842 WeakPolarHBondContact O-CB 3.32Å; H838-Q842 WeakPolarHBondContact O-CG 3.48Å; H838-Q842 PolarHBondContact O-N 3.29Å; H838-W875 AromaticContact CE1-CZ2 3.91Å; H838-W875 AromaticContact CG-NE1 3.58Å; H838-W875 AromaticContact ND1-CD1 3.98Å; H838-W875 AromaticContact ND1-CE2 3.46Å; H838-W875 AromaticContact ND1-CZ2 3.58Å; H838-W875 AromaticContact ND1-NE1 2.96Å; H838-W875 PolarHBondContact ND1-NE1 2.81Å; H838-E931 IonicContact CD2-OE1 3.87Å; H838-E931 PolarHBondContact CD2-OE1 2.78Å; H838-E931 IonicContact CD2-OE2 3.14Å; H838-E931 PolarHBondContact CD2-OE2 2.89Å; H838-E931 IonicContact CE1-OE2 2.83Å; H838-E931 IonicContact CG-OE1 3.77Å; H838-E931 IonicContact NE2-OE1 2.66Å; H838-E931 IonicContact NE2-OE2 3.4Å; H838-E931 PolarHBondContact NE2-OE2 2.63Å
839E88.5Confident87.4Confident124 Ų12443.3 Ų43.358%0.57920%0.201SC*.Hα-helixtrans-66.1-35.2174.8-66.4-176.1-172.300114.3C837 R843C837-E839 PolarHBondContact O-N 3.3Å; C837-E839 VanDerWaalsContact O-N 3.16Å; E839-R843 WeakPolarHBondContact O-CB 3.15Å; E839-R843 WeakPolarHBondContact O-CG 3.49Å; E839-R843 PolarHBondContact O-N 2.92Å; E839-R843 PolarHBondContact O-NE 3.19Å
840C92.2Very high86.1Confident10 Ų1047.7 Ų47.77%0.06822%0.222CC..Hα-helixtrans-74.1-41175.4-76.30000110.2I836 C837 R843 R844I836-C840 HydrophobicContact CD1-CB 3.8Å; I836-C840 HydrophobicContact CG1-CB 3.48Å; I836-C840 VanDerWaalsContact CG1-CB 3.48Å; C837-C840 PolarHBondContact O-N 2.89Å; C837-C840 VanDerWaalsContact SG-SG 3.62Å; C840-R843 PolarHBondContact O-N 3.34Å; C840-R843 PolarHBondContact SG-NH2 2.85Å; C840-R844 PolarHBondContact O-N 3.31Å
841L91.7Very high85.5Confident1 Ų150.4 Ų50.41%0.00524%0.237CC..Hα-helixtrans-64.6-47.7178.1-172.163.4000112.2L832 I836 C837 H838 R843 R844 F845 L866 W875 L927L832-L841 HydrophobicContact CD2-CD1 3.67Å; I836-L841 HydrophobicContact CD1-CB 4.34Å; I836-L841 HydrophobicContact CD1-CD1 4.46Å; I836-L841 HydrophobicContact CG1-CB 4.44Å; I836-L841 HydrophobicContact CG2-CB 4.31Å; I836-L841 HydrophobicContact CG2-CD1 4.14Å; C837-L841 PolarHBondContact O-N 2.97Å; H838-L841 PolarHBondContact O-N 2.85Å; L841-R843 VanDerWaalsContact C-N 3.27Å; L841-R843 PolarHBondContact O-N 2.96Å; L841-R844 PolarHBondContact O-N 3.33Å; L841-F845 HydrophobicContact CD1-CD2 3.71Å; L841-F845 HydrophobicContact CD1-CE2 3.51Å; L841-F845 HydrophobicContact CG-CD2 4.27Å; L841-F845 HydrophobicContact CG-CE2 4.49Å; L841-F845 PolarHBondContact O-N 3.49Å; L841-F845 VanDerWaalsContact O-N 3.08Å; L841-L866 HydrophobicContact CD2-CD2 4.3Å; L841-W875 HydrophobicContact CD2-CB 3.82Å; L841-W875 HydrophobicContact CD2-CD2 3.56Å; L841-W875 HydrophobicContact CD2-CE3 4.11Å; L841-W875 HydrophobicContact CD2-CG 3.4Å; L841-W875 VanDerWaalsContact CD2-CG 3.4Å; L841-L927 HydrophobicContact CD2-CD1 3.77Å; L841-L927 HydrophobicContact CD2-CD2 4.02Å; L841-L927 HydrophobicContact CG-CD1 3.91Å
842Q87.1Confident84.8Confident58 Ų5851 Ų5127%0.27124%0.239SC..Hα-helixtrans-58.2-39.1174.2-81.2-163.820.700111.9H838 F845 Y846 K928H838-Q842 PolarHBondContact CD2-NE2 3.04Å; H838-Q842 PolarHBondContact NE2-NE2 3.41Å; H838-Q842 WeakPolarHBondContact O-CB 3.32Å; H838-Q842 WeakPolarHBondContact O-CG 3.48Å; H838-Q842 PolarHBondContact O-N 3.29Å; Q842-F845 CarbonylContact O-C 3.47Å; Q842-Y846 WeakPolarHBondContact O-CB 3.29Å; Q842-Y846 PolarHBondContact O-N 2.63Å; Q842-K928 VanDerWaalsContact NE2-CE 3.28Å
843R86.8Confident84.1Confident147 Ų14752.9 Ų52.956%0.55525%0.248SC*.Hα-helixtrans-70.1-31.3177.5-79.8-179.7-72146.6-8.6113.4E839 C840 L841E839-R843 WeakPolarHBondContact O-CB 3.15Å; E839-R843 WeakPolarHBondContact O-CG 3.49Å; E839-R843 PolarHBondContact O-N 2.92Å; E839-R843 PolarHBondContact O-NE 3.19Å; C840-R843 PolarHBondContact O-N 3.34Å; C840-R843 PolarHBondContact SG-NH2 2.85Å; L841-R843 VanDerWaalsContact C-N 3.27Å; L841-R843 PolarHBondContact O-N 2.96Å
844R87.3Confident83.6Confident53 Ų5352.2 Ų52.220%0.224%0.244CC..Hα-helixtrans-75.4-32.1176.8177.555-173.891.7-2.9113P820 E821 E823 D828 C840 L841P820-R844 PolarHBondContact O-NH2 2.88Å; E821-R844 PolarHBondContact O-NH1 2.58Å; E823-R844 PolarHBondContact O-NH2 3Å; D828-R844 VanDerWaalsContact OD1-CD 3.31Å; D828-R844 WeakPolarHBondContact OD1-CD 3.36Å; D828-R844 IonicContact OD1-CZ 2.67Å; D828-R844 IonicContact OD1-NE 2.74Å; D828-R844 PolarHBondContact OD1-NE 2.73Å; D828-R844 IonicContact OD1-NH2 2.74Å; D828-R844 IonicContact OD2-CZ 3.47Å; D828-R844 IonicContact OD2-NE 3.19Å; D828-R844 PolarHBondContact OD2-NE 2.99Å; D828-R844 IonicContact OD2-NH2 2.86Å; D828-R844 PolarHBondContact OD2-NH2 3.41Å; C840-R844 PolarHBondContact O-N 3.31Å; L841-R844 PolarHBondContact O-N 3.33Å
845F84.9Confident82.9Confident4 Ų458.3 Ų58.32%0.01827%0.27CS..THydrogen-bonded Turntrans-111.133.8177.7-57.9-43000112.6L824 L832 L841 Q842 I923 L965 I972L824-F845 HydrophobicContact CD2-CE1 4.21Å; L824-F845 HydrophobicContact CD2-CZ 4.06Å; L832-F845 HydrophobicContact CD1-CZ 4.35Å; L841-F845 HydrophobicContact CD1-CD2 3.71Å; L841-F845 HydrophobicContact CD1-CE2 3.51Å; L841-F845 HydrophobicContact CG-CD2 4.27Å; L841-F845 HydrophobicContact CG-CE2 4.49Å; L841-F845 PolarHBondContact O-N 3.49Å; L841-F845 VanDerWaalsContact O-N 3.08Å; Q842-F845 CarbonylContact O-C 3.47Å; F845-I923 HydrophobicContact CB-CB 4.34Å; F845-I923 HydrophobicContact CB-CD1 4.36Å; F845-I923 HydrophobicContact CB-CG2 4.37Å; F845-I923 HydrophobicContact CD1-CD1 4.44Å; F845-I923 HydrophobicContact CD2-CG2 4.19Å; F845-I923 HydrophobicContact CG-CD1 4.29Å; F845-I923 HydrophobicContact CG-CG2 4.5Å; F845-L965 HydrophobicContact CE2-CD1 3.85Å; F845-L965 HydrophobicContact CZ-CD1 3.93Å; F845-I972 HydrophobicContact CD1-CD1 4.21Å; F845-I972 HydrophobicContact CE1-CD1 3.5Å; F845-I972 VanDerWaalsContact CE1-CD1 3.5Å; F845-I972 HydrophobicContact CZ-CD1 3.83Å
846Y81.4Confident82.5Confident122 Ų12264.9 Ų64.948%0.47830%0.299SS..  trans-85.5119170.7-179.3-94.2000109.5Q842 K848Q842-Y846 WeakPolarHBondContact O-CB 3.29Å; Q842-Y846 PolarHBondContact O-N 2.63Å; Y846-K848 HydrophobicContact CE1-CG 4.19Å; Y846-K848 WeakPolarHBondContact OH-CE 3.47Å
847S70.9Confident82.3Confident5 Ų567.3 Ų67.34%0.03531%0.309CS..  trans-129.4155.2171.9-170.90000110E821 T849 E850E821-S847 WeakPolarHBondContact OE1-CA 3.49Å; E821-S847 WeakPolarHBondContact OE1-CB 3.35Å; E821-S847 PolarHBondContact OE1-OG 3.48Å; S847-T849 PolarHBondContact OG-N 2.94Å; S847-T849 VanDerWaalsContact OG-N 3.13Å; S847-T849 PolarHBondContact OG-OG1 3.35Å; S847-E850 PolarHBondContact OG-N 3.48Å
848K61.7Low82.2Confident145 Ų14572.3 Ų72.363%0.6333%0.332SS*.SBendtrans-105.8-8.5165.8-82.1-159.6166.3-144.60112.9E783 Y846E783-K848 IonicContact OE1-NZ 2.91Å; E783-K848 PolarHBondContact OE1-NZ 2.91Å; Y846-K848 HydrophobicContact CE1-CG 4.19Å; Y846-K848 WeakPolarHBondContact OH-CE 3.47Å
849T62.2Low82.3Confident111 Ų11174 Ų7468%0.68134%0.343SS*.SBendtrans-127.6-35.9-157.733.90000114.4S847S847-T849 PolarHBondContact OG-N 2.94Å; S847-T849 VanDerWaalsContact OG-N 3.13Å; S847-T849 PolarHBondContact OG-OG1 3.35Å
850E68.2Low82.7Confident100 Ų10068.7 Ų68.747%0.46732%0.321SS..  trans-101.1135.9-179.6-64.2-165.4-167.600112.5F822 S847F822-E850 HydrophobicContact CD2-CB 4.4Å; F822-E850 WeakPolarHBondContact CD2-OE2 3.41Å; F822-E850 HydrophobicContact CE2-CB 3.52Å; F822-E850 HydrophobicContact CE2-CG 3.81Å; F822-E850 VanDerWaalsContact CE2-OE2 3.29Å; F822-E850 WeakPolarHBondContact CE2-OE2 3.2Å; F822-E850 HydrophobicContact CZ-CB 3.86Å; S847-E850 PolarHBondContact OG-N 3.48Å
851L80.1Confident82.9Confident99 Ų9969.9 Ų69.952%0.51832%0.324SS..  trans-128.1126.5-175.6-58.6176.5000109.1P920 E922L851-P920 HydrophobicContact CB-CB 3.47Å; L851-P920 VanDerWaalsContact CB-CB 3.47Å; L851-P920 HydrophobicContact CD1-CB 4.37Å; L851-E922 HydrophobicContact CD2-CG 3.74Å
852F79.2Confident83.1Confident15 Ų1571.1 Ų71.17%0.06633%0.331CS..BIsolated β-bridgetrans-91.8141.6-176.3-63.9-86.4000111.2F822 P920 K921 I923 I972F822-F852 AromaticContact CD1-CE2 3.9Å; F822-F852 HydrophobicContact CD1-CE2 3.9Å; F822-F852 AromaticContact CD1-CZ 3.46Å; F822-F852 HydrophobicContact CD1-CZ 3.46Å; F822-F852 VanDerWaalsContact CD1-CZ 3.46Å; F822-F852 HydrophobicContact CD2-CZ 4.16Å; F822-F852 AromaticContact CE1-CE2 3.51Å; F822-F852 HydrophobicContact CE1-CE2 3.51Å; F822-F852 AromaticContact CE1-CZ 3.56Å; F822-F852 HydrophobicContact CE1-CZ 3.56Å; F822-F852 HydrophobicContact CE2-CZ 4.27Å; F822-F852 AromaticContact CG-CZ 3.76Å; F822-F852 HydrophobicContact CG-CZ 3.76Å; F822-F852 AromaticContact CZ-CE2 3.86Å; F822-F852 HydrophobicContact CZ-CE2 3.86Å; F822-F852 AromaticContact CZ-CZ 3.96Å; F822-F852 HydrophobicContact CZ-CZ 3.96Å; F852-P920 CarbonylContact O-C 3.58Å; F852-P920 VanDerWaalsContact O-CA 3.29Å; F852-P920 WeakPolarHBondContact O-CA 3.29Å; F852-K921 PolarHBondContact N-O 3.46Å; F852-K921 PolarHBondContact O-N 2.96Å; F852-I923 HydrophobicContact CD2-CD1 4.25Å; F852-I923 HydrophobicContact CD2-CG1 3.7Å; F852-I923 HydrophobicContact CE2-CD1 3.92Å; F852-I923 HydrophobicContact CE2-CG1 3.84Å; F852-I923 HydrophobicContact CG-CG1 4.4Å; F852-I923 HydrophobicContact CZ-CD1 4.31Å; F852-I972 HydrophobicContact CE1-CG2 4.28Å; F852-I972 WeakPolarHBondContact CE1-O 3.37Å
853Q82Confident83.6Confident43 Ų4368.4 Ų68.420%0.20132%0.318CS..  trans-157.6137.4166.8177.8171.764.100107.8Q855 Y917 L918 P920Q853-Q855 PolarHBondContact O-N 2.87Å; Q853-Q855 PolarHBondContact O-NE2 3.27Å; Q853-Y917 PolarHBondContact NE2-O 3.35Å; Q853-L918 VanDerWaalsContact NE2-C 3.26Å; Q853-L918 PolarHBondContact NE2-O 3.07Å; Q853-P920 HydrophobicContact CB-CB 4.14Å; Q853-P920 HydrophobicContact CB-CG 3.88Å
854L84.6Confident84.1Confident6 Ų661.4 Ų61.43%0.03129%0.292CS..  trans-72.5118.5-173.4-165.660.4000111.7F857 I884 R896 I898 D916 I966 I976L854-F857 HydrophobicContact CD2-CE1 4.42Å; L854-I884 HydrophobicContact CD2-CB 4.43Å; L854-I884 HydrophobicContact CD2-CD1 3.99Å; L854-I884 HydrophobicContact CD2-CG1 4.02Å; L854-I884 HydrophobicContact CD2-CG2 3.61Å; L854-R896 PolarHBondContact O-NH2 2.8Å; L854-I898 HydrophobicContact CD2-CD1 4.13Å; L854-D916 WeakPolarHBondContact CB-OD2 3.22Å; L854-D916 PolarHBondContact N-OD2 2.9Å; L854-I966 HydrophobicContact CD1-CG1 4.34Å; L854-I976 HydrophobicContact CD2-CG2 4.2Å
855Q79.5Confident84.5Confident143 Ų14359 Ų5967%0.66828%0.283SS*.  trans-94.2-13-171.8-60.6-56.3-47.300114.8Q853Q853-Q855 PolarHBondContact O-N 2.87Å; Q853-Q855 PolarHBondContact O-NE2 3.27Å
856K86.5Confident85.1Confident139 Ų13958.9 Ų58.960%0.60428%0.282SS*.  trans-140.5138.6-170.1-75.6176.6-178.31740110.6T859 Y861K856-T859 HydrophobicContact CB-CG2 4.32Å; K856-Y861 VanDerWaalsContact CB-OH 3.25Å; K856-Y861 WeakPolarHBondContact CB-OH 3.31Å
857F90Very high85.7Confident56 Ų5655 Ų5525%0.24627%0.268CS..  trans-127175.4-174.2-63.9-88.4000109.8L854 T859 I884 L887 I898L854-F857 HydrophobicContact CD2-CE1 4.42Å; F857-T859 PolarHBondContact O-N 3.06Å; F857-I884 HydrophobicContact CD1-CG2 3.75Å; F857-I884 HydrophobicContact CE1-CG2 4.27Å; F857-I884 HydrophobicContact CG-CG2 4.45Å; F857-L887 HydrophobicContact CD1-CG 4.43Å; F857-L887 HydrophobicContact CE1-CD2 3.77Å; F857-L887 HydrophobicContact CE1-CG 4.14Å; F857-L887 HydrophobicContact CZ-CD2 4Å; F857-L887 HydrophobicContact CZ-CG 4.44Å; F857-I898 HydrophobicContact CD1-CG2 3.95Å; F857-I898 HydrophobicContact CE1-CD1 3.95Å; F857-I898 HydrophobicContact CE1-CG1 4.13Å; F857-I898 HydrophobicContact CE1-CG2 3.84Å
858Q91.4Very high86.9Confident118 Ų11855.2 Ų55.255%0.55127%0.268SS*.SBendtrans53.330.6-177.9-56.7179.6-4.600114.6Y883 I884 G885 D886Q858-Y883 VanDerWaalsContact CA-OH 3.32Å; Q858-Y883 WeakPolarHBondContact CA-OH 3.43Å; Q858-Y883 WeakPolarHBondContact O-CE2 3.46Å; Q858-Y883 PolarHBondContact O-OH 3.04Å; Q858-I884 CarbonylContact C-O 3.42Å; Q858-I884 WeakPolarHBondContact CA-O 3.49Å; Q858-I884 PolarHBondContact N-O 2.91Å; Q858-G885 PolarHBondContact N-O 3.35Å; Q858-D886 WeakPolarHBondContact CG-OD1 3.31Å; Q858-D886 PolarHBondContact NE2-OD1 3.49Å
859T93.3Very high88.3Confident54 Ų5450.7 Ų50.733%0.33126%0.255SS..EExtended strand (participates in β ladder)trans-143.4154.9-171.8-1680000113.8K856 F857 Y861 Y883 I884K856-T859 HydrophobicContact CB-CG2 4.32Å; F857-T859 PolarHBondContact O-N 3.06Å; T859-Y861 HydrophobicContact CG2-CD2 4.23Å; T859-Y861 HydrophobicContact CG2-CE2 3.4Å; T859-Y861 VanDerWaalsContact CG2-CE2 3.4Å; T859-Y883 VanDerWaalsContact C-CD2 3.49Å; T859-I884 PolarHBondContact N-O 2.97Å; T859-I884 PolarHBondContact O-N 2.98Å
860A95.3Very high89.6Confident13 Ų1348.3 Ų48.311%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-93.7149.417900000112.6Q383 V882 Y883Q383-A860 HydrophobicContact CB-CB 3.86Å; Q383-A860 HydrophobicContact CG-CB 4.26Å; Q383-A860 WeakPolarHBondContact O-CB 3.32Å; A860-V882 CarbonylContact C-O 3.57Å; A860-V882 VanDerWaalsContact CA-O 3.25Å; A860-V882 WeakPolarHBondContact CA-O 3.19Å; A860-Y883 HydrophobicContact CB-CD2 4.11Å
861Y96Very high90.5Very high36 Ų3646.4 Ų46.414%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-140.4157.4179.6-70.4-80.6000111.8K856 T859 C881 V882 I884 I966K856-Y861 VanDerWaalsContact CB-OH 3.25Å; K856-Y861 WeakPolarHBondContact CB-OH 3.31Å; T859-Y861 HydrophobicContact CG2-CD2 4.23Å; T859-Y861 HydrophobicContact CG2-CE2 3.4Å; T859-Y861 VanDerWaalsContact CG2-CE2 3.4Å; Y861-C881 WeakPolarHBondContact O-CA 3.45Å; Y861-C881 PolarHBondContact O-SG 3.48Å; Y861-C881 VanDerWaalsContact O-SG 3.41Å; Y861-V882 PolarHBondContact N-O 2.84Å; Y861-V882 PolarHBondContact O-N 2.82Å; Y861-I884 HydrophobicContact CD2-CG1 3.94Å; Y861-I884 HydrophobicContact CE2-CG1 4.1Å; Y861-I966 HydrophobicContact CD1-CG2 3.58Å; Y861-I966 HydrophobicContact CD2-CG2 3.76Å; Y861-I966 HydrophobicContact CE1-CG2 4.06Å; Y861-I966 HydrophobicContact CE2-CG2 4.2Å; Y861-I966 HydrophobicContact CG-CG2 3.42Å; Y861-I966 VanDerWaalsContact CG-CG2 3.42Å
862N96.6Very high90.8Very high27 Ų2743.8 Ų43.814%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-74.8148.2154-68.6-10.4000108.7Y359 Q383 T880 L967Y359-N862 PolarHBondContact OH-OD1 3.01Å; Q383-N862 PolarHBondContact NE2-OD1 3.45Å; N862-T880 CarbonylContact C-O 3.56Å; N862-L967 HydrophobicContact CB-CB 4.25Å; N862-L967 WeakPolarHBondContact O-CB 3.4Å; N862-L967 PolarHBondContact O-N 3.04Å
863A97.2Very high91.4Very high1 Ų144.3 Ų44.31%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-148.5157.4175.300000111.9T880 V882 L965 I966A863-T880 HydrophobicContact CB-CG2 4.11Å; A863-T880 PolarHBondContact N-O 3.32Å; A863-T880 PolarHBondContact O-N 2.7Å; A863-V882 HydrophobicContact CB-CB 4.48Å; A863-V882 HydrophobicContact CB-CG1 3.66Å; A863-L965 CarbonylContact C-O 3.41Å; A863-L965 WeakPolarHBondContact CA-O 3.37Å; A863-L965 WeakPolarHBondContact CB-O 3.33Å; A863-I966 HydrophobicContact CB-CD1 4.39Å
864L97.4Very high91.9Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-94.6122.1156.2-71.6177.5000109.2L824 Y829 L832 L866 A877 E879 L964 L965 L967L824-L864 HydrophobicContact CD1-CD1 3.67Å; L824-L864 HydrophobicContact CD1-CG 4.47Å; Y829-L864 HydrophobicContact CD1-CD1 4.48Å; Y829-L864 HydrophobicContact CD1-CD2 4.27Å; Y829-L864 HydrophobicContact CE1-CD1 4.28Å; Y829-L864 HydrophobicContact CE1-CD2 3.96Å; Y829-L864 HydrophobicContact CE1-CG 4.35Å; L832-L864 HydrophobicContact CD1-CD1 3.77Å; L864-L866 HydrophobicContact CB-CD1 3.48Å; L864-L866 VanDerWaalsContact CB-CD1 3.48Å; L864-L866 WeakPolarHBondContact O-CD1 3.39Å; L864-A877 HydrophobicContact CB-CB 4.46Å; L864-A877 HydrophobicContact CD2-CB 4.24Å; L864-E879 HydrophobicContact CD2-CB 4.39Å; L864-E879 HydrophobicContact CD2-CG 3.51Å; L864-L964 WeakPolarHBondContact O-CA 3.3Å; L864-L965 HydrophobicContact CB-CB 4.33Å; L864-L965 PolarHBondContact N-O 3.1Å; L864-L965 PolarHBondContact O-N 2.87Å; L864-L967 HydrophobicContact CG-CD1 4.28Å
865H97.1Very high92.5Very high3 Ų342.8 Ų42.81%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-88.1106.1171.2174.1-151.8000108.8A877 R878 T880 F902 D962 L964H865-A877 CarbonylContact O-C 3.35Å; H865-A877 VanDerWaalsContact O-CA 3.24Å; H865-A877 WeakPolarHBondContact O-CA 3.46Å; H865-R878 PolarHBondContact N-O 2.89Å; H865-R878 PolarHBondContact O-N 2.97Å; H865-T880 HydrophobicContact CB-CG2 3.91Å; H865-F902 AromaticContact CD2-CE2 3.95Å; H865-F902 AromaticContact CE1-CE2 3.57Å; H865-F902 AromaticContact ND1-CE2 3.79Å; H865-F902 AromaticContact NE2-CE2 3.66Å; H865-D962 IonicContact CD2-OD2 3.93Å; H865-D962 IonicContact CE1-OD2 3.3Å; H865-D962 VanDerWaalsContact NE2-CG 3.29Å; H865-D962 IonicContact NE2-OD2 3.71Å; H865-D962 PolarHBondContact NE2-OD2 3.01Å; H865-L964 HydrophobicContact CB-CD2 3.88Å
866L96.6Very high93.2Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-100.6121.3-176.2-86.767.6000110.3L832 L841 L864 W875 T876 A877 L927 A963 L965L832-L866 HydrophobicContact CD2-CD2 4.29Å; L841-L866 HydrophobicContact CD2-CD2 4.3Å; L864-L866 HydrophobicContact CB-CD1 3.48Å; L864-L866 VanDerWaalsContact CB-CD1 3.48Å; L864-L866 WeakPolarHBondContact O-CD1 3.39Å; L866-W875 HydrophobicContact CB-CE3 4.11Å; L866-W875 HydrophobicContact CB-CZ3 4.39Å; L866-W875 HydrophobicContact CD2-CE3 4.41Å; L866-T876 WeakPolarHBondContact CA-O 3.34Å; L866-A877 HydrophobicContact CD1-CB 3.87Å; L866-A877 HydrophobicContact CG-CB 4.2Å; L866-L927 HydrophobicContact CD2-CD2 4.14Å; L866-A963 HydrophobicContact CB-CB 4.13Å; L866-A963 PolarHBondContact N-O 3.49Å; L866-A963 PolarHBondContact O-N 3.44Å; L866-L965 HydrophobicContact CD1-CD1 3.9Å; L866-L965 HydrophobicContact CD1-CG 4.1Å; L866-L965 HydrophobicContact CD2-CD1 4.03Å; L866-L965 HydrophobicContact CD2-CG 4.39Å
867K94.6Very high93.7Very high40 Ų4032.5 Ų32.517%0.17419%0.187CC..EExtended strand (participates in β ladder)trans-104.5146.2170.6-59.9-156.5154.7-92.20110.6W875 T876 E906 D962K867-W875 CarbonylContact O-C 3.54Å; K867-W875 VanDerWaalsContact O-CA 3.24Å; K867-W875 WeakPolarHBondContact O-CA 3.22Å; K867-T876 PolarHBondContact N-O 3.5Å; K867-T876 PolarHBondContact O-N 3.27Å; K867-E906 WeakPolarHBondContact CE-OE1 3.47Å; K867-E906 VanDerWaalsContact NZ-CD 3.28Å; K867-E906 IonicContact NZ-OE1 3.67Å; K867-E906 PolarHBondContact NZ-OE1 2.87Å; K867-E906 IonicContact NZ-OE2 3.9Å; K867-D962 WeakPolarHBondContact CE-OD1 3.49Å; K867-D962 WeakPolarHBondContact CE-OD2 3.24Å; K867-D962 WeakPolarHBondContact CG-OD1 3.23Å; K867-D962 IonicContact NZ-OD1 3.2Å; K867-D962 PolarHBondContact NZ-OD1 3.04Å; K867-D962 IonicContact NZ-OD2 3.46Å; K867-D962 PolarHBondContact NZ-OD2 2.97Å
868F94.6Very high93.9Very high10 Ų1032.4 Ų32.44%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-109.9131.7169.4180-115.7000111.1K870 L874 W875 V930 E931 M934F868-K870 HydrophobicContact CE1-CB 4.08Å; F868-K870 HydrophobicContact CE1-CD 4.26Å; F868-L874 WeakPolarHBondContact CD2-O 3.43Å; F868-W875 HydrophobicContact CB-CD2 3.94Å; F868-W875 HydrophobicContact CB-CE3 3.98Å; F868-W875 HydrophobicContact CB-CH2 3.97Å; F868-W875 HydrophobicContact CB-CZ2 3.89Å; F868-W875 HydrophobicContact CB-CZ3 4Å; F868-W875 AromaticContact CD2-CD1 3.57Å; F868-W875 AromaticContact CD2-CD2 3.94Å; F868-W875 HydrophobicContact CD2-CD2 3.94Å; F868-W875 AromaticContact CD2-CE2 3.51Å; F868-W875 AromaticContact CD2-CG 3.99Å; F868-W875 HydrophobicContact CD2-CG 3.99Å; F868-W875 HydrophobicContact CD2-CZ2 4.09Å; F868-W875 AromaticContact CD2-NE1 3.18Å; F868-W875 AromaticContact CE2-NE1 3.61Å; F868-W875 HydrophobicContact CG-CD2 4.35Å; F868-W875 AromaticContact CG-CE2 3.91Å; F868-W875 HydrophobicContact CG-CZ2 4.06Å; F868-V930 HydrophobicContact CB-CG1 4.19Å; F868-E931 HydrophobicContact CD1-CB 4.37Å; F868-E931 HydrophobicContact CD1-CG 4.25Å; F868-E931 HydrophobicContact CE1-CB 4.39Å; F868-E931 HydrophobicContact CE1-CG 3.77Å; F868-E931 HydrophobicContact CZ-CG 4.1Å; F868-M934 HydrophobicContact CD1-CB 4.07Å
869S91.1Very high94.2Very high51 Ų5127.4 Ų27.436%0.35716%0.161SC..EExtended strand (participates in β ladder)trans-108.6111.8169.6179.40000110.4A871 T872 G873 L874S869-A871 PolarHBondContact O-N 2.85Å; S869-T872 PolarHBondContact O-N 2.93Å; S869-G873 WeakPolarHBondContact O-CA 3.46Å; S869-G873 PolarHBondContact O-N 2.7Å; S869-L874 PolarHBondContact N-O 3.35Å; S869-L874 PolarHBondContact O-N 3.32Å
870K90.7Very high94.4Very high61 Ų6124.9 Ų24.927%0.26515%0.146SC..THydrogen-bonded Turntrans-61.6-32175.8178.758.9174.4-157.60112.5F868 T872 T935 Y938F868-K870 HydrophobicContact CE1-CB 4.08Å; F868-K870 HydrophobicContact CE1-CD 4.26Å; K870-T872 PolarHBondContact O-N 2.91Å; K870-T935 HydrophobicContact CD-CG2 4.12Å; K870-T935 WeakPolarHBondContact CD-OG1 3.29Å; K870-T935 HydrophobicContact CG-CG2 4.4Å; K870-Y938 HydrophobicContact CB-CD1 4.21Å; K870-Y938 HydrophobicContact CB-CG 3.98Å; K870-Y938 HydrophobicContact CG-CD1 3.52Å; K870-Y938 HydrophobicContact CG-CE1 4.32Å; K870-Y938 HydrophobicContact CG-CG 3.83Å
871A86.4Confident94.4Very high60 Ų6024.2 Ų24.250%0.49614%0.141SC..THydrogen-bonded Turntrans-65.8-35-179.500000113.1S869 Y938S869-A871 PolarHBondContact O-N 2.85Å; A871-Y938 HydrophobicContact CB-CE2 4.33Å
872T87.1Confident94.4Very high44 Ų4422.5 Ų22.527%0.2713%0.134SC..THydrogen-bonded Turntrans-102.6-13.8178.2620000113.7N805 S869 K870 L874N805-T872 PolarHBondContact ND2-O 2.85Å; S869-T872 PolarHBondContact O-N 2.93Å; K870-T872 PolarHBondContact O-N 2.91Å; T872-L874 PolarHBondContact O-N 3.2Å; T872-L874 WeakPolarHBondContact OG1-CB 2.96Å; T872-L874 PolarHBondContact OG1-N 3.26Å
873G90.6Very high94.4Very high26 Ų2621.6 Ų21.627%0.26813%0.128SC..THydrogen-bonded Turntrans67.618.3-172.100000113.6C837 S869C837-G873 WeakPolarHBondContact CA-O 3.37Å; S869-G873 WeakPolarHBondContact O-CA 3.46Å; S869-G873 PolarHBondContact O-N 2.7Å
874L93.8Very high94.3Very high16 Ų1621.6 Ų21.68%0.08413%0.128CC..EExtended strand (participates in β ladder)trans-107.5149.3-176.4-59.5-178.6000112.9L807 C808 C837 F868 S869 T872L807-L874 HydrophobicContact CB-CD1 3.8Å; L807-L874 HydrophobicContact CB-CD2 4.49Å; L807-L874 HydrophobicContact CB-CG 4.47Å; L807-L874 WeakPolarHBondContact O-CD1 3.41Å; C808-L874 HydrophobicContact CB-CD2 3.94Å; C837-L874 HydrophobicContact CB-CD2 4.08Å; F868-L874 WeakPolarHBondContact CD2-O 3.43Å; S869-L874 PolarHBondContact N-O 3.35Å; S869-L874 PolarHBondContact O-N 3.32Å; T872-L874 PolarHBondContact O-N 3.2Å; T872-L874 WeakPolarHBondContact OG1-CB 2.96Å; T872-L874 PolarHBondContact OG1-N 3.26Å
875W96Very high94.1Very high0 Ų021.6 Ų21.60%013%0.128CC..EExtended strand (participates in β ladder)trans-99133.7162.2-66.377.5000109.4G835 I836 H838 L841 L866 K867 F868 L927 V930 E931 A963G835-W875 WeakPolarHBondContact CA-O 3.17Å; I836-W875 HydrophobicContact CG2-CB 4.02Å; I836-W875 PolarHBondContact N-O 2.9Å; I836-W875 WeakPolarHBondContact O-CB 3.37Å; I836-W875 PolarHBondContact O-N 2.84Å; H838-W875 AromaticContact CE1-CZ2 3.91Å; H838-W875 AromaticContact CG-NE1 3.58Å; H838-W875 AromaticContact ND1-CD1 3.98Å; H838-W875 AromaticContact ND1-CE2 3.46Å; H838-W875 AromaticContact ND1-CZ2 3.58Å; H838-W875 AromaticContact ND1-NE1 2.96Å; H838-W875 PolarHBondContact ND1-NE1 2.81Å; L841-W875 HydrophobicContact CD2-CB 3.82Å; L841-W875 HydrophobicContact CD2-CD2 3.56Å; L841-W875 HydrophobicContact CD2-CE3 4.11Å; L841-W875 HydrophobicContact CD2-CG 3.4Å; L841-W875 VanDerWaalsContact CD2-CG 3.4Å; L866-W875 HydrophobicContact CB-CE3 4.11Å; L866-W875 HydrophobicContact CB-CZ3 4.39Å; L866-W875 HydrophobicContact CD2-CE3 4.41Å; K867-W875 CarbonylContact O-C 3.54Å; K867-W875 VanDerWaalsContact O-CA 3.24Å; K867-W875 WeakPolarHBondContact O-CA 3.22Å; F868-W875 HydrophobicContact CB-CD2 3.94Å; F868-W875 HydrophobicContact CB-CE3 3.98Å; F868-W875 HydrophobicContact CB-CH2 3.97Å; F868-W875 HydrophobicContact CB-CZ2 3.89Å; F868-W875 HydrophobicContact CB-CZ3 4Å; F868-W875 AromaticContact CD2-CD1 3.57Å; F868-W875 AromaticContact CD2-CD2 3.94Å; F868-W875 HydrophobicContact CD2-CD2 3.94Å; F868-W875 AromaticContact CD2-CE2 3.51Å; F868-W875 AromaticContact CD2-CG 3.99Å; F868-W875 HydrophobicContact CD2-CG 3.99Å; F868-W875 HydrophobicContact CD2-CZ2 4.09Å; F868-W875 AromaticContact CD2-NE1 3.18Å; F868-W875 AromaticContact CE2-NE1 3.61Å; F868-W875 HydrophobicContact CG-CD2 4.35Å; F868-W875 AromaticContact CG-CE2 3.91Å; F868-W875 HydrophobicContact CG-CZ2 4.06Å; W875-L927 HydrophobicContact CE3-CD2 4.05Å; W875-L927 HydrophobicContact CH2-CB 3.96Å; W875-L927 HydrophobicContact CH2-CD2 3.6Å; W875-L927 HydrophobicContact CH2-CG 4.39Å; W875-L927 VanDerWaalsContact CH2-O 3.27Å; W875-L927 WeakPolarHBondContact CH2-O 3.49Å; W875-L927 HydrophobicContact CZ2-CB 4.07Å; W875-L927 HydrophobicContact CZ2-CD2 4.19Å; W875-L927 VanDerWaalsContact CZ2-O 3.3Å; W875-L927 WeakPolarHBondContact CZ2-O 3.41Å; W875-L927 HydrophobicContact CZ3-CD2 3.54Å; W875-V930 HydrophobicContact CH2-CB 3.8Å; W875-V930 HydrophobicContact CH2-CG1 3.44Å; W875-V930 VanDerWaalsContact CH2-CG1 3.44Å; W875-V930 HydrophobicContact CZ2-CG1 4.49Å; W875-V930 HydrophobicContact CZ3-CB 4.3Å; W875-V930 HydrophobicContact CZ3-CG1 3.64Å; W875-E931 HydrophobicContact CZ2-CB 4.27Å; W875-A963 HydrophobicContact CZ3-CB 4.43Å
876T94.9Very high93.8Very high62 Ų6224.8 Ų24.838%0.3815%0.145SC..EExtended strand (participates in β ladder)trans-125.3136.1172.550.90000109.6L866 K867L866-T876 WeakPolarHBondContact CA-O 3.34Å; K867-T876 PolarHBondContact N-O 3.5Å; K867-T876 PolarHBondContact O-N 3.27Å
877A95.9Very high93.5Very high5 Ų529.2 Ų29.24%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-105.9160.2-179.600000112.2L832 L833 L864 H865 L866L832-A877 HydrophobicContact CB-CB 3.8Å; L832-A877 PolarHBondContact O-N 3.49Å; L833-A877 HydrophobicContact CD2-CB 4.46Å; L833-A877 WeakPolarHBondContact CD2-O 3.19Å; L864-A877 HydrophobicContact CB-CB 4.46Å; L864-A877 HydrophobicContact CD2-CB 4.24Å; H865-A877 CarbonylContact O-C 3.35Å; H865-A877 VanDerWaalsContact O-CA 3.24Å; H865-A877 WeakPolarHBondContact O-CA 3.46Å; L866-A877 HydrophobicContact CD1-CB 3.87Å; L866-A877 HydrophobicContact CG-CB 4.2Å
878R95.3Very high93.3Very high53 Ų5328.6 Ų28.620%0.217%0.167CC..EExtended strand (participates in β ladder)trans-140.1136.1164.1-169.8-171.2-65.8140.7-1.8109.6H865 T880 H904H865-R878 PolarHBondContact N-O 2.89Å; H865-R878 PolarHBondContact O-N 2.97Å; R878-T880 PolarHBondContact O-N 3.33Å; R878-H904 WeakPolarHBondContact CD-CD2 3.07Å; R878-H904 VanDerWaalsContact CD-CG 3.48Å; R878-H904 PolarHBondContact NH1-O 2.97Å
879E97.1Very high92.6Very high14 Ų1438.1 Ų38.17%0.06521%0.211CC..EExtended strand (participates in β ladder)trans-67.5129.7170.2-69.7175.7-92.300110.2Y359 V363 K366 W367 Y829 L864Y359-E879 HydrophobicContact CE1-CB 4.44Å; V363-E879 HydrophobicContact CG1-CB 4.09Å; V363-E879 HydrophobicContact CG2-CB 3.72Å; K366-E879 IonicContact NZ-OE2 2.73Å; K366-E879 PolarHBondContact NZ-OE2 3.4Å; W367-E879 PolarHBondContact NE1-OE1 2.94Å; Y829-E879 HydrophobicContact CD1-CG 4.43Å; Y829-E879 HydrophobicContact CE1-CG 3.95Å; L864-E879 HydrophobicContact CD2-CB 4.39Å; L864-E879 HydrophobicContact CD2-CG 3.51Å
880T97.1Very high91.7Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-143.3154.6179.1-1670000112.1Y359 N862 A863 H865 R878 F902 H904Y359-T880 PolarHBondContact OH-O 3.07Å; N862-T880 CarbonylContact C-O 3.56Å; A863-T880 HydrophobicContact CB-CG2 4.11Å; A863-T880 PolarHBondContact N-O 3.32Å; A863-T880 PolarHBondContact O-N 2.7Å; H865-T880 HydrophobicContact CB-CG2 3.91Å; R878-T880 PolarHBondContact O-N 3.33Å; T880-F902 HydrophobicContact CG2-CD2 4.4Å; T880-H904 VanDerWaalsContact CB-ND1 3.35Å; T880-H904 WeakPolarHBondContact CB-ND1 3.37Å; T880-H904 PolarHBondContact OG1-N 3.39Å; T880-H904 PolarHBondContact OG1-ND1 3.1Å
881C96.6Very high90.9Very high0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-84141.2158.3-159.80000109.1Y359 L386 Y861 F902 L903Y359-C881 HydrophobicContact CD2-CB 3.7Å; Y359-C881 HydrophobicContact CE2-CB 3.71Å; Y359-C881 HydrophobicContact CG-CB 4.25Å; L386-C881 HydrophobicContact CD2-CB 3.88Å; L386-C881 VanDerWaalsContact CD2-SG 3.52Å; Y861-C881 WeakPolarHBondContact O-CA 3.45Å; Y861-C881 PolarHBondContact O-SG 3.48Å; Y861-C881 VanDerWaalsContact O-SG 3.41Å; C881-F902 WeakPolarHBondContact O-CA 3.44Å; C881-F902 WeakPolarHBondContact O-CB 3.35Å; C881-L903 HydrophobicContact CB-CD1 3.61Å; C881-L903 HydrophobicContact CB-CG 4.14Å; C881-L903 PolarHBondContact O-N 3.22Å
882V96.4Very high90.4Very high0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-131.3143.1175.656.60000109.7A860 Y861 A863 I884 V900 Q901 F902 L964 I966A860-V882 CarbonylContact C-O 3.57Å; A860-V882 VanDerWaalsContact CA-O 3.25Å; A860-V882 WeakPolarHBondContact CA-O 3.19Å; Y861-V882 PolarHBondContact N-O 2.84Å; Y861-V882 PolarHBondContact O-N 2.82Å; A863-V882 HydrophobicContact CB-CB 4.48Å; A863-V882 HydrophobicContact CB-CG1 3.66Å; V882-I884 HydrophobicContact CG2-CD1 4.07Å; V882-V900 HydrophobicContact CG2-CG1 3.58Å; V882-Q901 WeakPolarHBondContact CA-O 3.47Å; V882-F902 HydrophobicContact CB-CB 3.88Å; V882-F902 HydrophobicContact CG2-CB 4.03Å; V882-L964 HydrophobicContact CB-CD1 4.33Å; V882-L964 HydrophobicContact CG2-CD1 3.78Å; V882-I966 HydrophobicContact CG1-CD1 3.97Å
883Y95.6Very high90.2Very high8 Ų852.8 Ų52.83%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-105.8128.2165-169.1-98.4000109.5Y390 Q858 T859 A860 Q901Y390-Y883 AromaticContact CD1-CD1 3.77Å; Y390-Y883 HydrophobicContact CD1-CD1 3.77Å; Y390-Y883 AromaticContact CD1-CE1 3.33Å; Y390-Y883 HydrophobicContact CD1-CE1 3.33Å; Y390-Y883 AromaticContact CD2-CD1 3.22Å; Y390-Y883 HydrophobicContact CD2-CD1 3.22Å; Y390-Y883 AromaticContact CD2-CE1 3.75Å; Y390-Y883 HydrophobicContact CD2-CE1 3.75Å; Y390-Y883 AromaticContact CD2-CG 3.99Å; Y390-Y883 HydrophobicContact CD2-CG 3.99Å; Y390-Y883 HydrophobicContact CE1-CD1 4.19Å; Y390-Y883 AromaticContact CE1-CE1 3.74Å; Y390-Y883 HydrophobicContact CE1-CE1 3.74Å; Y390-Y883 AromaticContact CE2-CD1 3.67Å; Y390-Y883 HydrophobicContact CE2-CD1 3.67Å; Y390-Y883 HydrophobicContact CE2-CE1 4.08Å; Y390-Y883 AromaticContact CG-CD1 3.26Å; Y390-Y883 HydrophobicContact CG-CD1 3.26Å; Y390-Y883 AromaticContact CG-CE1 3.34Å; Y390-Y883 HydrophobicContact CG-CE1 3.34Å; Y390-Y883 HydrophobicContact CG-CG 4.01Å; Q858-Y883 VanDerWaalsContact CA-OH 3.32Å; Q858-Y883 WeakPolarHBondContact CA-OH 3.43Å; Q858-Y883 WeakPolarHBondContact O-CE2 3.46Å; Q858-Y883 PolarHBondContact O-OH 3.04Å; T859-Y883 VanDerWaalsContact C-CD2 3.49Å; A860-Y883 HydrophobicContact CB-CD2 4.11Å; Y883-Q901 PolarHBondContact N-O 3.3Å; Y883-Q901 PolarHBondContact O-N 3.09Å
884I95.3Very high89.9Confident0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-94.1111.8169.3-56.6-58.5000106.1L854 F857 Q858 T859 Y861 V882 I898 V900 I966 I976L854-I884 HydrophobicContact CD2-CB 4.43Å; L854-I884 HydrophobicContact CD2-CD1 3.99Å; L854-I884 HydrophobicContact CD2-CG1 4.02Å; L854-I884 HydrophobicContact CD2-CG2 3.61Å; F857-I884 HydrophobicContact CD1-CG2 3.75Å; F857-I884 HydrophobicContact CE1-CG2 4.27Å; F857-I884 HydrophobicContact CG-CG2 4.45Å; Q858-I884 CarbonylContact C-O 3.42Å; Q858-I884 WeakPolarHBondContact CA-O 3.49Å; Q858-I884 PolarHBondContact N-O 2.91Å; T859-I884 PolarHBondContact N-O 2.97Å; T859-I884 PolarHBondContact O-N 2.98Å; Y861-I884 HydrophobicContact CD2-CG1 3.94Å; Y861-I884 HydrophobicContact CE2-CG1 4.1Å; V882-I884 HydrophobicContact CG2-CD1 4.07Å; I884-I898 HydrophobicContact CG2-CG2 3.99Å; I884-V900 HydrophobicContact CD1-CG2 4.24Å; I884-I966 HydrophobicContact CD1-CD1 4.31Å; I884-I976 HydrophobicContact CD1-CD1 3.75Å
885G92.8Very high89.7Confident0 Ų057.6 Ų57.60%028%0.284CS..EExtended strand (participates in β ladder)trans-83.8-145.617800000112.5Q858 W899Q858-G885 PolarHBondContact N-O 3.35Å; G885-W899 WeakPolarHBondContact CA-O 3.5Å; G885-W899 PolarHBondContact N-O 2.97Å
886D91.1Very high89.4Confident71 Ų7159.6 Ų59.638%0.3829%0.292SS..EExtended strand (participates in β ladder)trans-84.1161.5-179.2-67.1-63.5000113.3Q858 W899Q858-D886 WeakPolarHBondContact CG-OD1 3.31Å; Q858-D886 PolarHBondContact NE2-OD1 3.49Å; D886-W899 PolarHBondContact O-N 3.15Å
887L91.1Very high89.3Confident93 Ų9357.3 Ų57.349%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-67.6141.3167.4-69.5166.6000109.8F857 R896 I898F857-L887 HydrophobicContact CD1-CG 4.43Å; F857-L887 HydrophobicContact CE1-CD2 3.77Å; F857-L887 HydrophobicContact CE1-CG 4.14Å; F857-L887 HydrophobicContact CZ-CD2 4Å; F857-L887 HydrophobicContact CZ-CG 4.44Å; L887-R896 HydrophobicContact CD2-CG 4.39Å; L887-I898 HydrophobicContact CD2-CG1 4.12Å
888M89.1Confident89.2Confident26 Ų2657.1 Ų57.113%0.12828%0.277CS..EExtended strand (participates in β ladder)trans-89150.1173.5-57.4179.169.700109.8M890 A897 W899 V913 Y981M888-M890 HydrophobicContact CE-CE 4.01Å; M888-M890 PolarHBondContact O-N 3.39Å; M888-A897 HydrophobicContact CB-CB 3.95Å; M888-A897 HydrophobicContact CG-CB 4.24Å; M888-A897 PolarHBondContact N-O 3.41Å; M888-A897 HydrophobicContact SD-CB 3.86Å; M888-W899 HydrophobicContact CE-CD2 4.3Å; M888-W899 HydrophobicContact CE-CE3 4.39Å; M888-W899 HydrophobicContact CE-CH2 3.71Å; M888-W899 HydrophobicContact CE-CZ2 3.57Å; M888-W899 HydrophobicContact CE-CZ3 4.11Å; M888-W899 HydrophobicContact CG-CD2 4.16Å; M888-W899 HydrophobicContact CG-CG 4.16Å; M888-W899 HydrophobicContact SD-CD2 4.07Å; M888-W899 HydrophobicContact SD-CE3 4.27Å; M888-W899 HydrophobicContact SD-CZ2 4.41Å; M888-V913 HydrophobicContact CE-CG2 4.24Å; M888-V913 HydrophobicContact SD-CB 4.43Å; M888-V913 HydrophobicContact SD-CG1 3.92Å; M888-V913 HydrophobicContact SD-CG2 3.88Å; M888-Y981 HydrophobicContact CE-CD2 4.06Å; M888-Y981 HydrophobicContact CE-CE2 3.93Å
889E80.4Confident89.1Confident210 Ų21057 Ų5798%0.98128%0.277SS*.EExtended strand (participates in β ladder)trans-7121.6178.6-57.9-177.5160.600113.9
890M72.5Confident88.9Confident121 Ų12156.5 Ų56.560%0.59627%0.274SS*.EExtended strand (participates in β ladder)trans-125.4113.5-179.9-65.5-168.9-65.800110.4M888M888-M890 HydrophobicContact CE-CE 4.01Å; M888-M890 PolarHBondContact O-N 3.39Å
891E73.9Confident88.7Confident146 Ų14657.1 Ų57.168%0.68228%0.277SS*.EExtended strand (participates in β ladder)trans-114.8121.3177.3-166.3174.6141.200110.3L918E891-L918 HydrophobicContact CG-CD1 4.02Å; E891-L918 HydrophobicContact CG-CD2 3.86Å; E891-L918 WeakPolarHBondContact OE1-CD1 3.11Å; E891-L918 VanDerWaalsContact OE1-CD2 3.29Å; E891-L918 WeakPolarHBondContact OE1-CD2 3.31Å
892G76.6Confident88.6Confident40 Ų4057.1 Ų57.141%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-87.8156.5172.400000110.9Q894 R895 L918G892-Q894 PolarHBondContact O-N 3.19Å; G892-R895 WeakPolarHBondContact CA-O 3.42Å; G892-R895 PolarHBondContact N-O 2.71Å; G892-R895 PolarHBondContact O-N 3.13Å; G892-R895 VanDerWaalsContact O-N 3.09Å; G892-L918 WeakPolarHBondContact O-CD1 3.37Å
893K82Confident88.5Confident218 Ų21857.1 Ų57.195%0.94828%0.278SS*.THydrogen-bonded Turntrans-47.9-15.4-174.4-66.3-173.8177.2-175.20117.5
894Q84.9Confident88.3Confident103 Ų10357 Ų5748%0.48128%0.277SS..THydrogen-bonded Turntrans-137.1-14179.2-64-176-8.900114.3G892 Y917 L918G892-Q894 PolarHBondContact O-N 3.19Å; Q894-Y917 HydrophobicContact CB-CD1 4.35Å; Q894-Y917 HydrophobicContact CB-CE1 4.38Å; Q894-Y917 WeakPolarHBondContact O-CA 3.42Å; Q894-Y917 WeakPolarHBondContact O-CD1 3.35Å; Q894-L918 PolarHBondContact O-N 2.86Å
895R89.8Confident88Confident39 Ų3957.2 Ų57.215%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-142.8137.8-170.3-63.1-178.6-56.4-178.511.1111.4G892 D916 Y917 D929 D1042G892-R895 WeakPolarHBondContact CA-O 3.42Å; G892-R895 PolarHBondContact N-O 2.71Å; G892-R895 PolarHBondContact O-N 3.13Å; G892-R895 VanDerWaalsContact O-N 3.09Å; R895-D916 CarbonylContact C-O 3.56Å; R895-D916 WeakPolarHBondContact CA-O 3.46Å; R895-D916 WeakPolarHBondContact CB-O 3.45Å; R895-Y917 HydrophobicContact CG-CD1 3.59Å; R895-Y917 HydrophobicContact CG-CD2 4.35Å; R895-Y917 HydrophobicContact CG-CE1 3.73Å; R895-Y917 HydrophobicContact CG-CE2 4.47Å; R895-Y917 HydrophobicContact CG-CG 3.93Å; R895-D929 IonicContact CZ-OD2 2.68Å; R895-D929 IonicContact NH1-OD2 2.79Å; R895-D929 PolarHBondContact NH1-OD2 3.46Å; R895-D1042 IonicContact CZ-OD1 3.05Å; R895-D1042 IonicContact NH1-OD1 2.73Å; R895-D1042 IonicContact NH2-OD1 3.33Å; R895-D1042 PolarHBondContact NH2-OD1 3.06Å; R895-D1042 IonicContact NH2-OD2 3.23Å; R895-D1042 PolarHBondContact NH2-OD2 3.33Å
896R90.1Very high87.3Confident43 Ų4362.2 Ų62.216%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-90.7146.6171.956.1-171.9176.5171.62.3110.8L854 L887 K915 D916 L918L854-R896 PolarHBondContact O-NH2 2.8Å; L887-R896 HydrophobicContact CD2-CG 4.39Å; R896-K915 WeakPolarHBondContact O-CA 3.2Å; R896-D916 HydrophobicContact CG-CB 4.18Å; R896-D916 IonicContact CZ-OD2 2.77Å; R896-D916 PolarHBondContact N-O 3.39Å; R896-D916 IonicContact NE-OD2 3.16Å; R896-D916 PolarHBondContact NE-OD2 2.77Å; R896-D916 IonicContact NH2-OD2 3.37Å; R896-D916 PolarHBondContact NH2-OD2 3.3Å; R896-D916 PolarHBondContact O-N 3.44Å; R896-D916 VanDerWaalsContact O-N 3.15Å; R896-L918 HydrophobicContact CB-CD2 3.77Å; R896-L918 HydrophobicContact CG-CD2 4.18Å
897A91.9Very high86.6Confident14 Ų1463.1 Ų63.112%0.11630%0.303CS..EExtended strand (participates in β ladder)trans-94.1142.6173.100000111.3M888 V913 G914M888-A897 HydrophobicContact CB-CB 3.95Å; M888-A897 HydrophobicContact CG-CB 4.24Å; M888-A897 PolarHBondContact N-O 3.41Å; M888-A897 HydrophobicContact SD-CB 3.86Å; A897-V913 HydrophobicContact CB-CG1 3.82Å; A897-G914 CarbonylContact C-O 3.45Å; A897-G914 WeakPolarHBondContact CA-O 3.47Å
898I93.1Very high85.9Confident0 Ų061.4 Ų61.40%029%0.291CS..EExtended strand (participates in β ladder)trans-138.6138.8-172.8-45.1165.2000108.1L854 F857 I884 L887 V913 G914 D916L854-I898 HydrophobicContact CD2-CD1 4.13Å; F857-I898 HydrophobicContact CD1-CG2 3.95Å; F857-I898 HydrophobicContact CE1-CD1 3.95Å; F857-I898 HydrophobicContact CE1-CG1 4.13Å; F857-I898 HydrophobicContact CE1-CG2 3.84Å; I884-I898 HydrophobicContact CG2-CG2 3.99Å; L887-I898 HydrophobicContact CD2-CG1 4.12Å; I898-V913 CarbonylContact O-C 3.5Å; I898-V913 WeakPolarHBondContact O-CA 3.31Å; I898-G914 PolarHBondContact N-O 2.75Å; I898-G914 PolarHBondContact O-N 3.17Å; I898-D916 HydrophobicContact CD1-CB 3.7Å
899W93Very high85.5Confident51 Ų5161.4 Ų61.419%0.19329%0.291CS..EExtended strand (participates in β ladder)trans-70.8132.4169.4-70.9117000111.5Y390 G885 D886 M888 Y981Y390-W899 WeakPolarHBondContact OH-CB 3.47Å; G885-W899 WeakPolarHBondContact CA-O 3.5Å; G885-W899 PolarHBondContact N-O 2.97Å; D886-W899 PolarHBondContact O-N 3.15Å; M888-W899 HydrophobicContact CE-CD2 4.3Å; M888-W899 HydrophobicContact CE-CE3 4.39Å; M888-W899 HydrophobicContact CE-CH2 3.71Å; M888-W899 HydrophobicContact CE-CZ2 3.57Å; M888-W899 HydrophobicContact CE-CZ3 4.11Å; M888-W899 HydrophobicContact CG-CD2 4.16Å; M888-W899 HydrophobicContact CG-CG 4.16Å; M888-W899 HydrophobicContact SD-CD2 4.07Å; M888-W899 HydrophobicContact SD-CE3 4.27Å; M888-W899 HydrophobicContact SD-CZ2 4.41Å; W899-Y981 HydrophobicContact CH2-CD1 4.07Å; W899-Y981 AromaticContact CH2-CD2 3.62Å; W899-Y981 HydrophobicContact CH2-CD2 3.62Å; W899-Y981 HydrophobicContact CH2-CE1 4.11Å; W899-Y981 AromaticContact CH2-CE2 3.68Å; W899-Y981 HydrophobicContact CH2-CE2 3.68Å; W899-Y981 AromaticContact CH2-CG 3.82Å; W899-Y981 HydrophobicContact CH2-CG 3.82Å; W899-Y981 AromaticContact CH2-CZ 3.93Å; W899-Y981 HydrophobicContact CZ3-CD1 4.16Å; W899-Y981 AromaticContact CZ3-CD2 3.7Å; W899-Y981 HydrophobicContact CZ3-CD2 3.7Å; W899-Y981 HydrophobicContact CZ3-CE2 4.25Å; W899-Y981 AromaticContact CZ3-CG 3.65Å; W899-Y981 HydrophobicContact CZ3-CG 3.65Å
900V93.5Very high85.5Confident3 Ų351.9 Ų51.92%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-136.7143.8-179.3-177.90000110.6V882 I884 F902 Y912 L964 I976 V978V882-V900 HydrophobicContact CG2-CG1 3.58Å; I884-V900 HydrophobicContact CD1-CG2 4.24Å; V900-F902 HydrophobicContact CG1-CD1 4.22Å; V900-Y912 PolarHBondContact N-O 2.85Å; V900-Y912 WeakPolarHBondContact O-CB 3.28Å; V900-Y912 PolarHBondContact O-N 2.96Å; V900-L964 HydrophobicContact CG1-CD1 4.14Å; V900-I976 HydrophobicContact CG2-CD1 3.99Å; V900-V978 HydrophobicContact CB-CG1 4.4Å; V900-V978 HydrophobicContact CG1-CG1 4.08Å; V900-V978 HydrophobicContact CG2-CG1 4.41Å
901Q92.5Very high86.1Confident13 Ų1348.1 Ų48.16%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-142.4138.8172.1-168-178.265.100109.7Y390 V882 Y883Y390-Q901 HydrophobicContact CD2-CB 4.06Å; Y390-Q901 HydrophobicContact CE2-CB 4.31Å; V882-Q901 WeakPolarHBondContact CA-O 3.47Å; Y883-Q901 PolarHBondContact N-O 3.3Å; Y883-Q901 PolarHBondContact O-N 3.09Å
902F94.3Very high86.9Confident0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-152.6140.3-175.560.5-78.1000113.1H865 T880 C881 V882 V900 H904 Q905 Y912 L964 V978H865-F902 AromaticContact CD2-CE2 3.95Å; H865-F902 AromaticContact CE1-CE2 3.57Å; H865-F902 AromaticContact ND1-CE2 3.79Å; H865-F902 AromaticContact NE2-CE2 3.66Å; T880-F902 HydrophobicContact CG2-CD2 4.4Å; C881-F902 WeakPolarHBondContact O-CA 3.44Å; C881-F902 WeakPolarHBondContact O-CB 3.35Å; V882-F902 HydrophobicContact CB-CB 3.88Å; V882-F902 HydrophobicContact CG2-CB 4.03Å; V900-F902 HydrophobicContact CG1-CD1 4.22Å; F902-H904 HydrophobicContact CD2-CB 4.46Å; F902-H904 PolarHBondContact O-N 3.19Å; F902-Q905 HydrophobicContact CD1-CB 4.25Å; F902-Q905 HydrophobicContact CD2-CB 4.16Å; F902-Q905 HydrophobicContact CE1-CB 3.94Å; F902-Q905 VanDerWaalsContact CE2-CA 3.46Å; F902-Q905 HydrophobicContact CE2-CB 3.84Å; F902-Q905 VanDerWaalsContact CE2-N 3.31Å; F902-Q905 HydrophobicContact CG-CB 4.36Å; F902-Q905 HydrophobicContact CZ-CB 3.72Å; F902-Q905 VanDerWaalsContact N-OE1 3.1Å; F902-Q905 WeakPolarHBondContact O-CB 3.45Å; F902-Q905 WeakPolarHBondContact O-CG 3.47Å; F902-Q905 PolarHBondContact O-N 2.99Å; F902-Q905 PolarHBondContact O-OE1 3.02Å; F902-Q905 VanDerWaalsContact O-OE1 3.08Å; F902-Y912 AromaticContact CE1-CD1 3.76Å; F902-Y912 HydrophobicContact CE1-CD1 3.76Å; F902-Y912 HydrophobicContact CE1-CD2 4.26Å; F902-Y912 HydrophobicContact CE1-CE1 4.08Å; F902-Y912 AromaticContact CE1-CG 3.87Å; F902-Y912 HydrophobicContact CE1-CG 3.87Å; F902-Y912 HydrophobicContact CZ-CD1 4.21Å; F902-Y912 HydrophobicContact CZ-CE1 4.09Å; F902-L964 HydrophobicContact CD1-CD1 4.44Å; F902-V978 HydrophobicContact CE1-CG2 4.13Å; F902-V978 HydrophobicContact CZ-CG2 4.19Å
903L94.4Very high87.6Confident1 Ų140.1 Ų40.11%0.00519%0.186CC..THydrogen-bonded Turntrans-58-19.1-168.1-61.8176.4000115.2H352 L355 K356 Y359 L386 C881H352-L903 PolarHBondContact CE1-O 2.76Å; L355-L903 HydrophobicContact CB-CD1 4.4Å; L355-L903 HydrophobicContact CB-CD2 3.62Å; K356-L903 HydrophobicContact CB-CB 4.4Å; K356-L903 WeakPolarHBondContact CD-O 3.39Å; K356-L903 WeakPolarHBondContact CE-O 3.5Å; K356-L903 WeakPolarHBondContact CG-O 3.42Å; Y359-L903 HydrophobicContact CD2-CD1 4.41Å; Y359-L903 HydrophobicContact CG-CD1 3.94Å; L386-L903 HydrophobicContact CD1-CD2 4Å; C881-L903 HydrophobicContact CB-CD1 3.61Å; C881-L903 HydrophobicContact CB-CG 4.14Å; C881-L903 PolarHBondContact O-N 3.22Å
904H92.6Very high88.2Confident5 Ų529.7 Ų29.72%0.02314%0.141CC..THydrogen-bonded Turntrans-109.111.1-175.3-73.1100.8000115.3K356 S360 R878 T880 F902K356-H904 VanDerWaalsContact CE-CD2 3.42Å; K356-H904 WeakPolarHBondContact CE-CD2 3.48Å; S360-H904 PolarHBondContact OG-NE2 3.17Å; R878-H904 WeakPolarHBondContact CD-CD2 3.07Å; R878-H904 VanDerWaalsContact CD-CG 3.48Å; R878-H904 PolarHBondContact NH1-O 2.97Å; T880-H904 VanDerWaalsContact CB-ND1 3.35Å; T880-H904 WeakPolarHBondContact CB-ND1 3.37Å; T880-H904 PolarHBondContact OG1-N 3.39Å; T880-H904 PolarHBondContact OG1-ND1 3.1Å; F902-H904 HydrophobicContact CD2-CB 4.46Å; F902-H904 PolarHBondContact O-N 3.19Å
905Q87.5Confident88.6Confident5 Ų525.8 Ų25.82%0.02312%0.122CC..  trans-53.9150.8169.363.6-170.975.500112.6F902 E907 S910 Y912F902-Q905 HydrophobicContact CD1-CB 4.25Å; F902-Q905 HydrophobicContact CD2-CB 4.16Å; F902-Q905 HydrophobicContact CE1-CB 3.94Å; F902-Q905 VanDerWaalsContact CE2-CA 3.46Å; F902-Q905 HydrophobicContact CE2-CB 3.84Å; F902-Q905 VanDerWaalsContact CE2-N 3.31Å; F902-Q905 HydrophobicContact CG-CB 4.36Å; F902-Q905 HydrophobicContact CZ-CB 3.72Å; F902-Q905 VanDerWaalsContact N-OE1 3.1Å; F902-Q905 WeakPolarHBondContact O-CB 3.45Å; F902-Q905 WeakPolarHBondContact O-CG 3.47Å; F902-Q905 PolarHBondContact O-N 2.99Å; F902-Q905 PolarHBondContact O-OE1 3.02Å; F902-Q905 VanDerWaalsContact O-OE1 3.08Å; Q905-E907 WeakPolarHBondContact CG-O 3.4Å; Q905-E907 PolarHBondContact NE2-O 2.71Å; Q905-S910 PolarHBondContact NE2-O 3.26Å; Q905-Y912 HydrophobicContact CB-CD2 4.27Å; Q905-Y912 HydrophobicContact CB-CE2 3.58Å; Q905-Y912 HydrophobicContact CG-CE2 4.2Å
906E78.5Confident88.7Confident105 Ų10523.9 Ų23.949%0.49112%0.115SC..SBendtrans-76-56.7-176.1-66.1-174.6158.700110.8K867 R908 Y912K867-E906 WeakPolarHBondContact CE-OE1 3.47Å; K867-E906 VanDerWaalsContact NZ-CD 3.28Å; K867-E906 IonicContact NZ-OE1 3.67Å; K867-E906 PolarHBondContact NZ-OE1 2.87Å; K867-E906 IonicContact NZ-OE2 3.9Å; E906-R908 PolarHBondContact O-N 3.12Å; E906-Y912 PolarHBondContact N-OH 3.43Å
907E77Confident88.8Confident89 Ų8922.7 Ų22.742%0.41611%0.11SC..SBendtrans-78.8104169.1-61.5-165.2160.300109.4Q905 L909 S910Q905-E907 WeakPolarHBondContact CG-O 3.4Å; Q905-E907 PolarHBondContact NE2-O 2.71Å; E907-L909 PolarHBondContact O-N 2.59Å; E907-S910 WeakPolarHBondContact CB-OG 3.47Å; E907-S910 PolarHBondContact O-N 3.02Å; E907-S910 WeakPolarHBondContact OE2-CB 3.37Å; E907-S910 PolarHBondContact OE2-OG 3.43Å
908R75.8Confident88.7Confident58 Ų5824.6 Ų24.622%0.21912%0.119CC..THydrogen-bonded Turntrans-61.7129.2178.5-164-159.5-59.6994.7110S661 E906 S910S661-R908 WeakPolarHBondContact CB-O 3.49Å; S661-R908 PolarHBondContact O-NH1 3.47Å; S661-R908 VanDerWaalsContact O-NH1 3.16Å; S661-R908 PolarHBondContact OG-NH1 2.93Å; E906-R908 PolarHBondContact O-N 3.12Å; R908-S910 VanDerWaalsContact C-N 3.28Å; R908-S910 PolarHBondContact O-N 3.38Å
909L80.9Confident88.5Confident25 Ų2532.6 Ų32.613%0.13115%0.153CC..THydrogen-bonded Turntrans73.7-13.5-178-48.7-177.4000117.2Q348 Q349 H352 F389 E907Q348-L909 HydrophobicContact CB-CD1 3.78Å; Q348-L909 HydrophobicContact CB-CD2 4.33Å; Q349-L909 HydrophobicContact CB-CD1 4.18Å; H352-L909 HydrophobicContact CB-CD2 3.7Å; F389-L909 HydrophobicContact CE1-CD2 4.35Å; F389-L909 HydrophobicContact CZ-CD2 3.8Å; E907-L909 PolarHBondContact O-N 2.59Å
910S80.4Confident88.3Confident11 Ų1132.5 Ų32.58%0.07716%0.159CC..  trans-58.4143.7172.1-61.80000111.1Q905 E907 R908 Y912Q905-S910 PolarHBondContact NE2-O 3.26Å; E907-S910 WeakPolarHBondContact CB-OG 3.47Å; E907-S910 PolarHBondContact O-N 3.02Å; E907-S910 WeakPolarHBondContact OE2-CB 3.37Å; E907-S910 PolarHBondContact OE2-OG 3.43Å; R908-S910 VanDerWaalsContact C-N 3.28Å; R908-S910 PolarHBondContact O-N 3.38Å; S910-Y912 WeakPolarHBondContact O-CD2 3.45Å
911S84.5Confident88.1Confident42 Ų4235.6 Ų35.629%0.29417%0.173SC..  trans-71.7143.4172.6-51.70000110.4Y981S911-Y981 WeakPolarHBondContact O-CB 3.4Å; S911-Y981 PolarHBondContact O-N 2.94Å
912Y91.6Very high87.9Confident3 Ų336 Ų361%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-117.5148.4173.3-79.1-112.8000110.7V900 F902 Q905 E906 S910 V978 E979 P980V900-Y912 PolarHBondContact N-O 2.85Å; V900-Y912 WeakPolarHBondContact O-CB 3.28Å; V900-Y912 PolarHBondContact O-N 2.96Å; F902-Y912 AromaticContact CE1-CD1 3.76Å; F902-Y912 HydrophobicContact CE1-CD1 3.76Å; F902-Y912 HydrophobicContact CE1-CD2 4.26Å; F902-Y912 HydrophobicContact CE1-CE1 4.08Å; F902-Y912 AromaticContact CE1-CG 3.87Å; F902-Y912 HydrophobicContact CE1-CG 3.87Å; F902-Y912 HydrophobicContact CZ-CD1 4.21Å; F902-Y912 HydrophobicContact CZ-CE1 4.09Å; Q905-Y912 HydrophobicContact CB-CD2 4.27Å; Q905-Y912 HydrophobicContact CB-CE2 3.58Å; Q905-Y912 HydrophobicContact CG-CE2 4.2Å; E906-Y912 PolarHBondContact N-OH 3.43Å; S910-Y912 WeakPolarHBondContact O-CD2 3.45Å; Y912-V978 HydrophobicContact CD1-CB 4.5Å; Y912-E979 CarbonylContact C-O 3.59Å; Y912-E979 WeakPolarHBondContact CA-O 3.32Å; Y912-E979 WeakPolarHBondContact CD1-O 3.35Å; Y912-P980 HydrophobicContact CD1-CG 4.32Å; Y912-P980 HydrophobicContact CE1-CB 4.46Å; Y912-P980 HydrophobicContact CE1-CG 3.7Å
913V91.9Very high87.7Confident14 Ų1436 Ų369%0.08517%0.174CC..EExtended strand (participates in β ladder)trans-100120170.5-177.50000108.6M888 A897 I898 K915 V978 E979 Y981M888-V913 HydrophobicContact CE-CG2 4.24Å; M888-V913 HydrophobicContact SD-CB 4.43Å; M888-V913 HydrophobicContact SD-CG1 3.92Å; M888-V913 HydrophobicContact SD-CG2 3.88Å; A897-V913 HydrophobicContact CB-CG1 3.82Å; I898-V913 CarbonylContact O-C 3.5Å; I898-V913 WeakPolarHBondContact O-CA 3.31Å; V913-K915 HydrophobicContact CG1-CG 4.46Å; V913-V978 VanDerWaalsContact O-CA 3.31Å; V913-V978 WeakPolarHBondContact O-CA 3.48Å; V913-E979 PolarHBondContact N-O 3.02Å; V913-E979 PolarHBondContact O-N 2.99Å; V913-Y981 HydrophobicContact CG2-CD2 3.77Å; V913-Y981 HydrophobicContact CG2-CG 4.36Å
914G94.1Very high87.5Confident0 Ų039.1 Ų39.10%019%0.186CC..EExtended strand (participates in β ladder)trans-83.7135.216200000110.7A897 I898 T977A897-G914 CarbonylContact C-O 3.45Å; A897-G914 WeakPolarHBondContact CA-O 3.47Å; I898-G914 PolarHBondContact N-O 2.75Å; I898-G914 PolarHBondContact O-N 3.17Å; G914-T977 CarbonylContact C-O 3.53Å; G914-T977 WeakPolarHBondContact CA-O 3.5Å
915K93Very high87.3Confident20 Ų2042.8 Ų42.89%0.08720%0.2CC..EExtended strand (participates in β ladder)trans-110.4123.7170.9-52177.3-174.5173.30108.6R896 V913 T977 E979 T1041 D1042R896-K915 WeakPolarHBondContact O-CA 3.2Å; V913-K915 HydrophobicContact CG1-CG 4.46Å; K915-T977 PolarHBondContact N-O 2.69Å; K915-T977 PolarHBondContact O-N 3.29Å; K915-E979 VanDerWaalsContact CE-CD 3.47Å; K915-E979 WeakPolarHBondContact CE-OE1 3.35Å; K915-E979 IonicContact NZ-OE1 2.6Å; K915-E979 PolarHBondContact NZ-OE1 2.71Å; K915-E979 IonicContact NZ-OE2 2.62Å; K915-E979 PolarHBondContact NZ-OE2 3.28Å; K915-T1041 PolarHBondContact NZ-OG1 3.42Å; K915-T1041 VanDerWaalsContact NZ-OG1 3.09Å; K915-D1042 IonicContact NZ-OD1 3.11Å; K915-D1042 PolarHBondContact NZ-OD1 3.03Å; K915-D1042 VanDerWaalsContact NZ-OD1 3.15Å; K915-D1042 IonicContact NZ-OD2 2.77Å; K915-D1042 PolarHBondContact NZ-OD2 3Å
916D92.7Very high87.6Confident0 Ų042.6 Ų42.60%020%0.199CC..EExtended strand (participates in β ladder)trans-124148.7176.6-174.922.9000109.9L854 R895 R896 I898 I976L854-D916 WeakPolarHBondContact CB-OD2 3.22Å; L854-D916 PolarHBondContact N-OD2 2.9Å; R895-D916 CarbonylContact C-O 3.56Å; R895-D916 WeakPolarHBondContact CA-O 3.46Å; R895-D916 WeakPolarHBondContact CB-O 3.45Å; R896-D916 HydrophobicContact CG-CB 4.18Å; R896-D916 IonicContact CZ-OD2 2.77Å; R896-D916 PolarHBondContact N-O 3.39Å; R896-D916 IonicContact NE-OD2 3.16Å; R896-D916 PolarHBondContact NE-OD2 2.77Å; R896-D916 IonicContact NH2-OD2 3.37Å; R896-D916 PolarHBondContact NH2-OD2 3.3Å; R896-D916 PolarHBondContact O-N 3.44Å; R896-D916 VanDerWaalsContact O-N 3.15Å; I898-D916 HydrophobicContact CD1-CB 3.7Å; D916-I976 HydrophobicContact CB-CG2 3.87Å
917Y91.8Very high88.3Confident17 Ų1737.6 Ų37.67%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-77.4143.4-177.7-79.1-86.1000112.3Q853 Q894 R895 K919 K921 H926 D929Q853-Y917 PolarHBondContact NE2-O 3.35Å; Q894-Y917 HydrophobicContact CB-CD1 4.35Å; Q894-Y917 HydrophobicContact CB-CE1 4.38Å; Q894-Y917 WeakPolarHBondContact O-CA 3.42Å; Q894-Y917 WeakPolarHBondContact O-CD1 3.35Å; R895-Y917 HydrophobicContact CG-CD1 3.59Å; R895-Y917 HydrophobicContact CG-CD2 4.35Å; R895-Y917 HydrophobicContact CG-CE1 3.73Å; R895-Y917 HydrophobicContact CG-CE2 4.47Å; R895-Y917 HydrophobicContact CG-CG 3.93Å; Y917-K919 VanDerWaalsContact CB-O 3.3Å; Y917-K919 WeakPolarHBondContact CB-O 3.3Å; Y917-K921 HydrophobicContact CD1-CG 4Å; Y917-K921 HydrophobicContact CD2-CB 4.03Å; Y917-K921 HydrophobicContact CD2-CG 3.89Å; Y917-K921 HydrophobicContact CE2-CG 4.43Å; Y917-K921 HydrophobicContact CG-CB 4.23Å; Y917-K921 HydrophobicContact CG-CG 3.64Å; Y917-H926 AromaticContact CD2-CE1 3.67Å; Y917-H926 AromaticContact CD2-NE2 3.69Å; Y917-D929 PolarHBondContact OH-OD2 2.82Å
918L89.2Confident88.9Confident55 Ų5537.6 Ų37.629%0.28818%0.175SC..SBendtrans-72.5-30.7-179-63173.1000113.2Q853 E891 G892 Q894 R896Q853-L918 VanDerWaalsContact NE2-C 3.26Å; Q853-L918 PolarHBondContact NE2-O 3.07Å; E891-L918 HydrophobicContact CG-CD1 4.02Å; E891-L918 HydrophobicContact CG-CD2 3.86Å; E891-L918 WeakPolarHBondContact OE1-CD1 3.11Å; E891-L918 VanDerWaalsContact OE1-CD2 3.29Å; E891-L918 WeakPolarHBondContact OE1-CD2 3.31Å; G892-L918 WeakPolarHBondContact O-CD1 3.37Å; Q894-L918 PolarHBondContact O-N 2.86Å; R896-L918 HydrophobicContact CB-CD2 3.77Å; R896-L918 HydrophobicContact CG-CD2 4.18Å
919K89.9Confident89.8Confident167 Ų16735.4 Ų35.473%0.72617%0.167SC*.SBendtrans-107.9138.9165.7-62.9-175.7-180-176.90107.4Y917Y917-K919 VanDerWaalsContact CB-O 3.3Å; Y917-K919 WeakPolarHBondContact CB-O 3.3Å
920P87.8Confident90.4Very high50 Ų5034.2 Ų34.233%0.32516%0.161SC..  trans-50.1141.7178.1-29.635.3000114L851 F852 Q853L851-P920 HydrophobicContact CB-CB 3.47Å; L851-P920 VanDerWaalsContact CB-CB 3.47Å; L851-P920 HydrophobicContact CD1-CB 4.37Å; F852-P920 CarbonylContact O-C 3.58Å; F852-P920 VanDerWaalsContact O-CA 3.29Å; F852-P920 WeakPolarHBondContact O-CA 3.29Å; Q853-P920 HydrophobicContact CB-CB 4.14Å; Q853-P920 HydrophobicContact CB-CG 3.88Å
921K89.2Confident91.1Very high68 Ų6836.1 Ų36.130%0.29617%0.169SC..BIsolated β-bridgetrans-138.1154.7-177.3-72.6-60179-174.70113F852 Y917 Y925F852-K921 PolarHBondContact N-O 3.46Å; F852-K921 PolarHBondContact O-N 2.96Å; Y917-K921 HydrophobicContact CD1-CG 4Å; Y917-K921 HydrophobicContact CD2-CB 4.03Å; Y917-K921 HydrophobicContact CD2-CG 3.89Å; Y917-K921 HydrophobicContact CE2-CG 4.43Å; Y917-K921 HydrophobicContact CG-CB 4.23Å; Y917-K921 HydrophobicContact CG-CG 3.64Å; K921-Y925 HydrophobicContact CB-CD2 4.08Å; K921-Y925 HydrophobicContact CB-CG 4.42Å; K921-Y925 HydrophobicContact CD-CD2 4.03Å; K921-Y925 HydrophobicContact CD-CE2 4.12Å; K921-Y925 HydrophobicContact CD-CG 4.35Å; K921-Y925 HydrophobicContact CG-CD2 4.43Å
922E89.3Confident91.6Very high20 Ų2036.7 Ų36.79%0.09317%0.165CC..  trans-69.6149.9171.6-55163.4-10900111.3L851 R924 Y925L851-E922 HydrophobicContact CD2-CG 3.74Å; E922-R924 HydrophobicContact CB-CG 3.95Å; E922-R924 VanDerWaalsContact CD-NE 3.29Å; E922-R924 VanDerWaalsContact CD-NH2 3.32Å; E922-R924 PolarHBondContact O-N 3.36Å; E922-R924 IonicContact OE1-CZ 3.43Å; E922-R924 IonicContact OE1-NE 3.28Å; E922-R924 PolarHBondContact OE1-NE 3.46Å; E922-R924 IonicContact OE1-NH2 2.72Å; E922-R924 PolarHBondContact OE1-NH2 2.97Å; E922-R924 WeakPolarHBondContact OE2-CD 3.46Å; E922-R924 IonicContact OE2-CZ 3.16Å; E922-R924 IonicContact OE2-NE 2.64Å; E922-R924 PolarHBondContact OE2-NE 3.44Å; E922-R924 IonicContact OE2-NH2 3.11Å; E922-R924 PolarHBondContact OE2-NH2 3.34Å; E922-R924 VanDerWaalsContact OE2-NH2 3.11Å; E922-Y925 HydrophobicContact CB-CD2 4.06Å; E922-Y925 HydrophobicContact CB-CE2 4.26Å; E922-Y925 HydrophobicContact CG-CE2 4.44Å; E922-Y925 WeakPolarHBondContact O-CD2 3.27Å; E922-Y925 PolarHBondContact O-N 2.99Å; E922-Y925 WeakPolarHBondContact OE1-CE2 3.38Å
923I90.1Very high91.7Very high1 Ų136.7 Ų36.71%0.00517%0.165CC..Hα-helixtrans-51.7-34.8179.1-60.4174.6000112F822 F845 F852 Y925 H926 L927 L965 I972 C975F822-I923 HydrophobicContact CD1-CD1 4.21Å; F822-I923 HydrophobicContact CE1-CD1 4.2Å; F845-I923 HydrophobicContact CB-CB 4.34Å; F845-I923 HydrophobicContact CB-CD1 4.36Å; F845-I923 HydrophobicContact CB-CG2 4.37Å; F845-I923 HydrophobicContact CD1-CD1 4.44Å; F845-I923 HydrophobicContact CD2-CG2 4.19Å; F845-I923 HydrophobicContact CG-CD1 4.29Å; F845-I923 HydrophobicContact CG-CG2 4.5Å; F852-I923 HydrophobicContact CD2-CD1 4.25Å; F852-I923 HydrophobicContact CD2-CG1 3.7Å; F852-I923 HydrophobicContact CE2-CD1 3.92Å; F852-I923 HydrophobicContact CE2-CG1 3.84Å; F852-I923 HydrophobicContact CG-CG1 4.4Å; F852-I923 HydrophobicContact CZ-CD1 4.31Å; I923-Y925 PolarHBondContact O-N 3.13Å; I923-Y925 VanDerWaalsContact O-N 3.1Å; I923-H926 PolarHBondContact O-N 3.26Å; I923-L927 HydrophobicContact CG2-CD1 3.89Å; I923-L927 HydrophobicContact CG2-CG 4.06Å; I923-L927 PolarHBondContact O-N 3.28Å; I923-L927 VanDerWaalsContact O-N 3.13Å; I923-L965 HydrophobicContact CD1-CD2 4.25Å; I923-L965 HydrophobicContact CG2-CD2 3.9Å; I923-I972 HydrophobicContact CD1-CD1 4.34Å; I923-I972 HydrophobicContact CD1-CG2 4.13Å; I923-C975 HydrophobicContact CG1-CB 4.21Å
924R88.9Confident91.8Very high66 Ų6637 Ų3725%0.24917%0.165CC..Hα-helixtrans-59.4-20.2179.166.5169.9176.5170.2-5.5115.2E922 K928E922-R924 HydrophobicContact CB-CG 3.95Å; E922-R924 VanDerWaalsContact CD-NE 3.29Å; E922-R924 VanDerWaalsContact CD-NH2 3.32Å; E922-R924 PolarHBondContact O-N 3.36Å; E922-R924 IonicContact OE1-CZ 3.43Å; E922-R924 IonicContact OE1-NE 3.28Å; E922-R924 PolarHBondContact OE1-NE 3.46Å; E922-R924 IonicContact OE1-NH2 2.72Å; E922-R924 PolarHBondContact OE1-NH2 2.97Å; E922-R924 WeakPolarHBondContact OE2-CD 3.46Å; E922-R924 IonicContact OE2-CZ 3.16Å; E922-R924 IonicContact OE2-NE 2.64Å; E922-R924 PolarHBondContact OE2-NE 3.44Å; E922-R924 IonicContact OE2-NH2 3.11Å; E922-R924 PolarHBondContact OE2-NH2 3.34Å; E922-R924 VanDerWaalsContact OE2-NH2 3.11Å; R924-K928 WeakPolarHBondContact O-CB 3.38Å; R924-K928 VanDerWaalsContact O-CG 3.26Å; R924-K928 WeakPolarHBondContact O-CG 3.23Å; R924-K928 PolarHBondContact O-N 2.89Å
925Y89.8Confident91.8Very high82 Ų8237.3 Ų37.332%0.32217%0.167SC..Hα-helixtrans-74-49.1174.4-72.1-85.7000111.3K921 E922 I923 L927 K928 D929K921-Y925 HydrophobicContact CB-CD2 4.08Å; K921-Y925 HydrophobicContact CB-CG 4.42Å; K921-Y925 HydrophobicContact CD-CD2 4.03Å; K921-Y925 HydrophobicContact CD-CE2 4.12Å; K921-Y925 HydrophobicContact CD-CG 4.35Å; K921-Y925 HydrophobicContact CG-CD2 4.43Å; E922-Y925 HydrophobicContact CB-CD2 4.06Å; E922-Y925 HydrophobicContact CB-CE2 4.26Å; E922-Y925 HydrophobicContact CG-CE2 4.44Å; E922-Y925 WeakPolarHBondContact O-CD2 3.27Å; E922-Y925 PolarHBondContact O-N 2.99Å; E922-Y925 WeakPolarHBondContact OE1-CE2 3.38Å; I923-Y925 PolarHBondContact O-N 3.13Å; I923-Y925 VanDerWaalsContact O-N 3.1Å; Y925-L927 VanDerWaalsContact C-N 3.32Å; Y925-L927 PolarHBondContact O-N 3.22Å; Y925-K928 PolarHBondContact O-N 3.47Å; Y925-K928 VanDerWaalsContact O-N 3.1Å; Y925-D929 PolarHBondContact O-N 2.9Å
926H92.3Very high91.9Very high1 Ų136.3 Ų36.31%0.00516%0.163CC..Hα-helixtrans-59-42.8175.9-58-101.6000111.7Y917 I923 K928 D929 V930 C975 T977Y917-H926 AromaticContact CD2-CE1 3.67Å; Y917-H926 AromaticContact CD2-NE2 3.69Å; I923-H926 PolarHBondContact O-N 3.26Å; H926-K928 VanDerWaalsContact C-N 3.3Å; H926-K928 PolarHBondContact O-N 2.89Å; H926-D929 PolarHBondContact O-N 3.4Å; H926-V930 PolarHBondContact O-N 3.26Å; H926-V930 VanDerWaalsContact O-N 3.13Å; H926-C975 PolarHBondContact CE1-O 2.71Å; H926-T977 HydrophobicContact CB-CG2 3.75Å; H926-T977 WeakPolarHBondContact O-CG2 3.44Å
927L93.4Very high91.9Very high1 Ų138.7 Ų38.71%0.00517%0.174CC..Hα-helixtrans-63.8-33.4176.6-63.4175.6000112.7L841 L866 W875 I923 Y925 E931 A963L841-L927 HydrophobicContact CD2-CD1 3.77Å; L841-L927 HydrophobicContact CD2-CD2 4.02Å; L841-L927 HydrophobicContact CG-CD1 3.91Å; L866-L927 HydrophobicContact CD2-CD2 4.14Å; W875-L927 HydrophobicContact CE3-CD2 4.05Å; W875-L927 HydrophobicContact CH2-CB 3.96Å; W875-L927 HydrophobicContact CH2-CD2 3.6Å; W875-L927 HydrophobicContact CH2-CG 4.39Å; W875-L927 VanDerWaalsContact CH2-O 3.27Å; W875-L927 WeakPolarHBondContact CH2-O 3.49Å; W875-L927 HydrophobicContact CZ2-CB 4.07Å; W875-L927 HydrophobicContact CZ2-CD2 4.19Å; W875-L927 VanDerWaalsContact CZ2-O 3.3Å; W875-L927 WeakPolarHBondContact CZ2-O 3.41Å; W875-L927 HydrophobicContact CZ3-CD2 3.54Å; I923-L927 HydrophobicContact CG2-CD1 3.89Å; I923-L927 HydrophobicContact CG2-CG 4.06Å; I923-L927 PolarHBondContact O-N 3.28Å; I923-L927 VanDerWaalsContact O-N 3.13Å; Y925-L927 VanDerWaalsContact C-N 3.32Å; Y925-L927 PolarHBondContact O-N 3.22Å; L927-E931 WeakPolarHBondContact O-CB 3.35Å; L927-E931 PolarHBondContact O-N 2.99Å; L927-A963 HydrophobicContact CD2-CB 4.13Å
928K91.4Very high91.9Very high88 Ų8841.2 Ų41.238%0.38318%0.184SC..Hα-helixtrans-76.8-30.8176.5-78.3176.9177.3-173.90113.4Q842 R924 Y925 H926 R932Q842-K928 VanDerWaalsContact NE2-CE 3.28Å; R924-K928 WeakPolarHBondContact O-CB 3.38Å; R924-K928 VanDerWaalsContact O-CG 3.26Å; R924-K928 WeakPolarHBondContact O-CG 3.23Å; R924-K928 PolarHBondContact O-N 2.89Å; Y925-K928 PolarHBondContact O-N 3.47Å; Y925-K928 VanDerWaalsContact O-N 3.1Å; H926-K928 VanDerWaalsContact C-N 3.3Å; H926-K928 PolarHBondContact O-N 2.89Å; K928-R932 VanDerWaalsContact O-CB 3.24Å; K928-R932 WeakPolarHBondContact O-CB 3.35Å; K928-R932 PolarHBondContact O-N 2.68Å
929D92.8Very high92.1Very high12 Ų1239 Ų396%0.06417%0.172CC..Hα-helixtrans-63.2-48.2170.5-81.4-16.2000110.9R895 Y917 Y925 H926 R932 Q933 T977R895-D929 IonicContact CZ-OD2 2.68Å; R895-D929 IonicContact NH1-OD2 2.79Å; R895-D929 PolarHBondContact NH1-OD2 3.46Å; Y917-D929 PolarHBondContact OH-OD2 2.82Å; Y925-D929 PolarHBondContact O-N 2.9Å; H926-D929 PolarHBondContact O-N 3.4Å; D929-R932 PolarHBondContact O-N 3.08Å; D929-R932 IonicContact OD1-CZ 3.91Å; D929-R932 IonicContact OD1-NH1 3.35Å; D929-R932 PolarHBondContact OD1-NH1 2.92Å; D929-R932 IonicContact OD1-NH2 3.58Å; D929-R932 PolarHBondContact OD1-NH2 3.49Å; D929-Q933 PolarHBondContact O-N 3.19Å; D929-T977 HydrophobicContact CB-CG2 4.28Å
930V95.3Very high92.2Very high0 Ų031 Ų310%014%0.137CC..Hα-helixtrans-64.1-45.4175.9164.10000112F868 W875 H926 R932 Q933 M934 S961 A963 T977F868-V930 HydrophobicContact CB-CG1 4.19Å; W875-V930 HydrophobicContact CH2-CB 3.8Å; W875-V930 HydrophobicContact CH2-CG1 3.44Å; W875-V930 VanDerWaalsContact CH2-CG1 3.44Å; W875-V930 HydrophobicContact CZ2-CG1 4.49Å; W875-V930 HydrophobicContact CZ3-CB 4.3Å; W875-V930 HydrophobicContact CZ3-CG1 3.64Å; H926-V930 PolarHBondContact O-N 3.26Å; H926-V930 VanDerWaalsContact O-N 3.13Å; V930-R932 VanDerWaalsContact C-N 3.26Å; V930-R932 PolarHBondContact O-N 2.84Å; V930-Q933 PolarHBondContact O-N 3.38Å; V930-M934 HydrophobicContact CG1-CG 4.13Å; V930-M934 VanDerWaalsContact O-CB 3.31Å; V930-M934 WeakPolarHBondContact O-CB 3.46Å; V930-M934 VanDerWaalsContact O-CG 3.3Å; V930-M934 WeakPolarHBondContact O-CG 3.5Å; V930-M934 PolarHBondContact O-N 3.5Å; V930-S961 WeakPolarHBondContact CG1-O 3.46Å; V930-A963 HydrophobicContact CG2-CB 4.34Å; V930-T977 HydrophobicContact CG2-CG2 3.72Å
931E94.6Very high92.2Very high51 Ų5130.1 Ų30.124%0.23813%0.131CC..Hα-helixtrans-56.7-41.2175.3179.4175.7-126.300111.9H838 F868 W875 L927 T935H838-E931 IonicContact CD2-OE1 3.87Å; H838-E931 PolarHBondContact CD2-OE1 2.78Å; H838-E931 IonicContact CD2-OE2 3.14Å; H838-E931 PolarHBondContact CD2-OE2 2.89Å; H838-E931 IonicContact CE1-OE2 2.83Å; H838-E931 IonicContact CG-OE1 3.77Å; H838-E931 IonicContact NE2-OE1 2.66Å; H838-E931 IonicContact NE2-OE2 3.4Å; H838-E931 PolarHBondContact NE2-OE2 2.63Å; F868-E931 HydrophobicContact CD1-CB 4.37Å; F868-E931 HydrophobicContact CD1-CG 4.25Å; F868-E931 HydrophobicContact CE1-CB 4.39Å; F868-E931 HydrophobicContact CE1-CG 3.77Å; F868-E931 HydrophobicContact CZ-CG 4.1Å; W875-E931 HydrophobicContact CZ2-CB 4.27Å; L927-E931 WeakPolarHBondContact O-CB 3.35Å; L927-E931 PolarHBondContact O-N 2.99Å; E931-T935 WeakPolarHBondContact O-CB 3.18Å; E931-T935 PolarHBondContact O-N 3.16Å; E931-T935 PolarHBondContact O-OG1 2.76Å
932R93.9Very high92.1Very high55 Ų5528.7 Ų28.721%0.20813%0.125CC..Hα-helixtrans-67.2-47.7179.2-170173.471-106.91.7111.8K928 D929 V930 T935 A936 P1043 I1045K928-R932 VanDerWaalsContact O-CB 3.24Å; K928-R932 WeakPolarHBondContact O-CB 3.35Å; K928-R932 PolarHBondContact O-N 2.68Å; D929-R932 PolarHBondContact O-N 3.08Å; D929-R932 IonicContact OD1-CZ 3.91Å; D929-R932 IonicContact OD1-NH1 3.35Å; D929-R932 PolarHBondContact OD1-NH1 2.92Å; D929-R932 IonicContact OD1-NH2 3.58Å; D929-R932 PolarHBondContact OD1-NH2 3.49Å; V930-R932 VanDerWaalsContact C-N 3.26Å; V930-R932 PolarHBondContact O-N 2.84Å; R932-T935 PolarHBondContact O-N 3.27Å; R932-A936 PolarHBondContact O-N 3Å; R932-A936 VanDerWaalsContact O-N 3.09Å; R932-P1043 WeakPolarHBondContact CD-O 3.34Å; R932-P1043 PolarHBondContact NE-O 3.29Å; R932-I1045 HydrophobicContact CG-CD1 4.08Å; R932-I1045 HydrophobicContact CG-CG1 3.96Å
933Q94.9Very high92.2Very high3 Ų327.7 Ų27.71%0.01412%0.121CC..Hα-helixtrans-67.9-40.9179.8-170.3155.2-37.700112.1D929 V930 A936 Q937 Y958 I959 E979 P1043D929-Q933 PolarHBondContact O-N 3.19Å; V930-Q933 PolarHBondContact O-N 3.38Å; Q933-A936 PolarHBondContact O-N 2.6Å; Q933-Q937 PolarHBondContact O-N 3.1Å; Q933-Y958 HydrophobicContact CG-CD1 4.45Å; Q933-I959 PolarHBondContact NE2-O 3.02Å; Q933-E979 PolarHBondContact NE2-OE2 3.38Å; Q933-P1043 HydrophobicContact CB-CG 4.31Å; Q933-P1043 HydrophobicContact CG-CG 4.47Å
934M94.2Very high91.9Very high20 Ų2027.7 Ų27.710%0.09912%0.121CC..Hα-helixtrans-75-24.8177.5-62.6-57.8-71.800113.1F868 V930 Y938 P960 S961F868-M934 HydrophobicContact CD1-CB 4.07Å; V930-M934 HydrophobicContact CG1-CG 4.13Å; V930-M934 VanDerWaalsContact O-CB 3.31Å; V930-M934 WeakPolarHBondContact O-CB 3.46Å; V930-M934 VanDerWaalsContact O-CG 3.3Å; V930-M934 WeakPolarHBondContact O-CG 3.5Å; V930-M934 PolarHBondContact O-N 3.5Å; M934-Y938 PolarHBondContact O-N 2.95Å; M934-P960 HydrophobicContact SD-CB 4.31Å; M934-S961 WeakPolarHBondContact CG-O 3.23Å; M934-S961 PolarHBondContact SD-N 2.98Å
935T94.1Very high91.6Very high6 Ų626.9 Ų26.94%0.03712%0.119CC..Hα-helixtrans-67.6-43.4167.5-64.20000111.2K870 E931 R932 Q937 Y938 Y939 I1045K870-T935 HydrophobicContact CD-CG2 4.12Å; K870-T935 WeakPolarHBondContact CD-OG1 3.29Å; K870-T935 HydrophobicContact CG-CG2 4.4Å; E931-T935 WeakPolarHBondContact O-CB 3.18Å; E931-T935 PolarHBondContact O-N 3.16Å; E931-T935 PolarHBondContact O-OG1 2.76Å; R932-T935 PolarHBondContact O-N 3.27Å; T935-Q937 VanDerWaalsContact C-N 3.33Å; T935-Y938 PolarHBondContact O-N 2.65Å; T935-Y939 HydrophobicContact CG2-CD2 4.15Å; T935-Y939 HydrophobicContact CG2-CE2 3.72Å; T935-Y939 PolarHBondContact O-N 3.06Å; T935-Y939 VanDerWaalsContact O-N 3.1Å; T935-I1045 HydrophobicContact CG2-CD1 3.72Å
936A95.2Very high91.4Very high0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-64.3-38174.800000111.9R932 Q933 Y939 V940 Y958 V1023 P1043R932-A936 PolarHBondContact O-N 3Å; R932-A936 VanDerWaalsContact O-N 3.09Å; Q933-A936 PolarHBondContact O-N 2.6Å; A936-Y939 PolarHBondContact O-N 2.86Å; A936-V940 PolarHBondContact O-N 3.39Å; A936-Y958 HydrophobicContact CB-CD1 4.19Å; A936-Y958 HydrophobicContact CB-CD2 3.67Å; A936-Y958 HydrophobicContact CB-CE1 4.22Å; A936-Y958 HydrophobicContact CB-CE2 3.7Å; A936-Y958 HydrophobicContact CB-CG 3.92Å; A936-V1023 HydrophobicContact CB-CG1 3.9Å; A936-V1023 HydrophobicContact CB-CG2 4.25Å; A936-P1043 HydrophobicContact CB-CB 4.01Å; A936-P1043 HydrophobicContact CB-CG 3.66Å
937Q92.4Very high90.9Very high49 Ų4924.7 Ų24.723%0.22912%0.116CC..Hα-helixtrans-60.5-47.3172.2-170.6-172.879.600112.2Q933 T935 Y939 V940 T941 Y958Q933-Q937 PolarHBondContact O-N 3.1Å; T935-Q937 VanDerWaalsContact C-N 3.33Å; Q937-Y939 PolarHBondContact O-N 2.9Å; Q937-V940 WeakPolarHBondContact O-CG1 3.31Å; Q937-V940 PolarHBondContact O-N 3.4Å; Q937-V940 VanDerWaalsContact O-N 3.15Å; Q937-T941 PolarHBondContact O-N 3.1Å; Q937-T941 PolarHBondContact O-OG1 2.82Å; Q937-T941 VanDerWaalsContact O-OG1 3.12Å; Q937-Y958 PolarHBondContact NE2-O 3.3Å
938Y91.1Very high90Very high71 Ų7126.4 Ų26.428%0.27812%0.122SC..Hα-helixtrans-57.8-48176.8172.7-110.7000112K870 A871 M934 T935 V940 T941 E942 F1016K870-Y938 HydrophobicContact CB-CD1 4.21Å; K870-Y938 HydrophobicContact CB-CG 3.98Å; K870-Y938 HydrophobicContact CG-CD1 3.52Å; K870-Y938 HydrophobicContact CG-CE1 4.32Å; K870-Y938 HydrophobicContact CG-CG 3.83Å; A871-Y938 HydrophobicContact CB-CE2 4.33Å; M934-Y938 PolarHBondContact O-N 2.95Å; T935-Y938 PolarHBondContact O-N 2.65Å; Y938-V940 VanDerWaalsContact C-N 3.3Å; Y938-V940 PolarHBondContact O-N 3.02Å; Y938-T941 PolarHBondContact O-N 2.91Å; Y938-E942 HydrophobicContact CE2-CG 4.19Å; Y938-E942 PolarHBondContact O-N 3.2Å; Y938-F1016 HydrophobicContact CE1-CE1 4Å
939Y94.4Very high89.4Confident7 Ų725.9 Ų25.93%0.02712%0.123CC..Hα-helixtrans-63.7-32.8176.8-65.4-29.2000113.1T935 A936 Q937 F943 T1013 F1016 E1021 V1023 R1049T935-Y939 HydrophobicContact CG2-CD2 4.15Å; T935-Y939 HydrophobicContact CG2-CE2 3.72Å; T935-Y939 PolarHBondContact O-N 3.06Å; T935-Y939 VanDerWaalsContact O-N 3.1Å; A936-Y939 PolarHBondContact O-N 2.86Å; Q937-Y939 PolarHBondContact O-N 2.9Å; Y939-F943 WeakPolarHBondContact O-CB 3.27Å; Y939-F943 PolarHBondContact O-N 3.24Å; Y939-F943 VanDerWaalsContact O-N 3.07Å; Y939-T1013 HydrophobicContact CD2-CG2 4.09Å; Y939-T1013 HydrophobicContact CG-CG2 4.18Å; Y939-F1016 AromaticContact CD1-CD1 3.61Å; Y939-F1016 HydrophobicContact CD1-CD1 3.61Å; Y939-F1016 AromaticContact CD1-CE1 3.75Å; Y939-F1016 HydrophobicContact CD1-CE1 3.75Å; Y939-F1016 AromaticContact CE1-CD1 3.76Å; Y939-F1016 HydrophobicContact CE1-CD1 3.76Å; Y939-F1016 AromaticContact CE1-CE1 3.9Å; Y939-F1016 HydrophobicContact CE1-CE1 3.9Å; Y939-E1021 PolarHBondContact OH-OE2 2.6Å; Y939-V1023 HydrophobicContact CD2-CG2 3.95Å; Y939-R1049 PolarHBondContact OH-NH1 3.45Å
940V91.7Very high88.6Confident1 Ų128.6 Ų28.61%0.00614%0.135CC..Hα-helixtrans-77.1-27.6178.495.70000112.8A936 Q937 Y938 F943 N944 I956 Y958 F1009A936-V940 PolarHBondContact O-N 3.39Å; Q937-V940 WeakPolarHBondContact O-CG1 3.31Å; Q937-V940 PolarHBondContact O-N 3.4Å; Q937-V940 VanDerWaalsContact O-N 3.15Å; Y938-V940 VanDerWaalsContact C-N 3.3Å; Y938-V940 PolarHBondContact O-N 3.02Å; V940-F943 HydrophobicContact CG2-CD1 4.35Å; V940-F943 PolarHBondContact O-N 2.79Å; V940-N944 WeakPolarHBondContact O-CB 3.42Å; V940-N944 PolarHBondContact O-N 3.29Å; V940-N944 PolarHBondContact O-ND2 2.9Å; V940-I956 WeakPolarHBondContact CG1-O 3.29Å; V940-I956 HydrophobicContact CG2-CB 3.63Å; V940-I956 HydrophobicContact CG2-CG2 3.8Å; V940-I956 VanDerWaalsContact CG2-O 3.25Å; V940-I956 WeakPolarHBondContact CG2-O 3.5Å; V940-Y958 HydrophobicContact CB-CD2 4.15Å; V940-Y958 HydrophobicContact CG1-CD2 4.1Å; V940-F1009 HydrophobicContact CB-CD2 4.36Å; V940-F1009 HydrophobicContact CB-CE2 3.69Å; V940-F1009 HydrophobicContact CB-CZ 3.93Å; V940-F1009 HydrophobicContact CG2-CD2 3.86Å; V940-F1009 HydrophobicContact CG2-CE2 3.68Å; V940-F1009 HydrophobicContact CG2-CG 4.37Å; V940-F1009 HydrophobicContact CG2-CZ 4.02Å
941T86.6Confident87.3Confident31 Ų3130.9 Ų30.919%0.1915%0.145CC..Hα-helixtrans-62.7-46.2169.9-610000111.1Q937 Y938 F943 N944 K945Q937-T941 PolarHBondContact O-N 3.1Å; Q937-T941 PolarHBondContact O-OG1 2.82Å; Q937-T941 VanDerWaalsContact O-OG1 3.12Å; Y938-T941 PolarHBondContact O-N 2.91Å; T941-F943 VanDerWaalsContact C-N 3.34Å; T941-F943 PolarHBondContact O-N 3Å; T941-N944 PolarHBondContact O-N 2.59Å; T941-K945 WeakPolarHBondContact O-CG 3.5Å; T941-K945 PolarHBondContact O-N 3.22Å
942E88.4Confident86.2Confident37 Ų3729.1 Ų29.117%0.17314%0.138CC..Hα-helixtrans-69.3-32177.5-54.9-49.7120.800112.6Y938 K945 S946 F1012 F1016Y938-E942 HydrophobicContact CE2-CG 4.19Å; Y938-E942 PolarHBondContact O-N 3.2Å; E942-K945 WeakPolarHBondContact OE1-CE 3.5Å; E942-K945 IonicContact OE1-NZ 3.27Å; E942-K945 PolarHBondContact OE1-NZ 3.39Å; E942-K945 WeakPolarHBondContact OE2-CD 3.4Å; E942-K945 IonicContact OE2-NZ 3.43Å; E942-K945 PolarHBondContact OE2-NZ 2.73Å; E942-S946 PolarHBondContact O-N 2.94Å; E942-S946 VanDerWaalsContact O-N 3.13Å; E942-S946 PolarHBondContact O-OG 3.18Å; E942-F1012 HydrophobicContact CB-CE1 4.1Å; E942-F1012 HydrophobicContact CB-CZ 3.95Å; E942-F1016 HydrophobicContact CB-CE2 4.18Å; E942-F1016 HydrophobicContact CB-CZ 4.05Å; E942-F1016 HydrophobicContact CG-CE1 4.31Å; E942-F1016 HydrophobicContact CG-CE2 4.34Å; E942-F1016 HydrophobicContact CG-CZ 3.78Å
943F90.8Very high84.8Confident0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-65-43.5169.2-177.4-113.2000112Y939 V940 T941 S946 L947 I956 A1008 F1009 F1012 L1081Y939-F943 WeakPolarHBondContact O-CB 3.27Å; Y939-F943 PolarHBondContact O-N 3.24Å; Y939-F943 VanDerWaalsContact O-N 3.07Å; V940-F943 HydrophobicContact CG2-CD1 4.35Å; V940-F943 PolarHBondContact O-N 2.79Å; T941-F943 VanDerWaalsContact C-N 3.34Å; T941-F943 PolarHBondContact O-N 3Å; F943-S946 CarbonylContact O-C 3.55Å; F943-S946 WeakPolarHBondContact O-CB 3.33Å; F943-S946 PolarHBondContact O-N 2.82Å; F943-L947 HydrophobicContact CD1-CD1 3.67Å; F943-L947 HydrophobicContact CD1-CG 4.36Å; F943-L947 HydrophobicContact CE1-CD1 3.43Å; F943-L947 VanDerWaalsContact CE1-CD1 3.43Å; F943-L947 HydrophobicContact CE1-CG 4.17Å; F943-L947 HydrophobicContact CG-CD1 4.43Å; F943-L947 HydrophobicContact CZ-CD1 4.01Å; F943-L947 HydrophobicContact CZ-CD2 4.4Å; F943-L947 HydrophobicContact CZ-CG 4.32Å; F943-L947 WeakPolarHBondContact O-CG 3.27Å; F943-L947 PolarHBondContact O-N 3.28Å; F943-I956 HydrophobicContact CE1-CD1 4.04Å; F943-I956 HydrophobicContact CE1-CG1 4.5Å; F943-A1008 HydrophobicContact CE2-CB 4.39Å; F943-A1008 HydrophobicContact CZ-CB 4.18Å; F943-F1009 HydrophobicContact CB-CD2 3.9Å; F943-F1009 HydrophobicContact CB-CE2 4.41Å; F943-F1009 HydrophobicContact CD1-CB 3.98Å; F943-F1009 AromaticContact CD1-CD2 3.92Å; F943-F1009 HydrophobicContact CD1-CD2 3.92Å; F943-F1009 HydrophobicContact CD1-CG 4.33Å; F943-F1009 HydrophobicContact CD2-CB 4.43Å; F943-F1009 HydrophobicContact CD2-CD2 4.38Å; F943-F1009 HydrophobicContact CE1-CB 3.71Å; F943-F1009 HydrophobicContact CE2-CB 4.19Å; F943-F1009 HydrophobicContact CG-CB 4.33Å; F943-F1009 AromaticContact CG-CD2 3.83Å; F943-F1009 HydrophobicContact CG-CD2 3.83Å; F943-F1009 HydrophobicContact CZ-CB 3.82Å; F943-F1012 HydrophobicContact CB-CD1 3.81Å; F943-F1012 HydrophobicContact CB-CE1 3.91Å; F943-F1012 HydrophobicContact CB-CG 4.31Å; F943-F1012 HydrophobicContact CB-CZ 4.49Å; F943-F1012 HydrophobicContact CD2-CB 3.62Å; F943-F1012 AromaticContact CD2-CD1 3.98Å; F943-F1012 HydrophobicContact CD2-CD1 3.98Å; F943-F1012 HydrophobicContact CD2-CD2 4.1Å; F943-F1012 AromaticContact CD2-CG 3.64Å; F943-F1012 HydrophobicContact CD2-CG 3.64Å; F943-F1012 HydrophobicContact CE2-CB 4.02Å; F943-F1012 HydrophobicContact CE2-CG 4.48Å; F943-F1012 HydrophobicContact CG-CD1 4.34Å; F943-F1012 HydrophobicContact CG-CG 4.44Å; F943-L1081 HydrophobicContact CD2-CD1 4.06Å; F943-L1081 HydrophobicContact CE2-CD1 3.36Å; F943-L1081 HydrophobicContact CZ-CD1 4.04Å
944N84.5Confident83.5Confident1 Ų130.8 Ų30.81%0.00515%0.152CC..Hα-helixtrans-67.7-33.6177.7-73.7-18.3000112.9V940 T941 L947 Y948 I956 F957V940-N944 WeakPolarHBondContact O-CB 3.42Å; V940-N944 PolarHBondContact O-N 3.29Å; V940-N944 PolarHBondContact O-ND2 2.9Å; T941-N944 PolarHBondContact O-N 2.59Å; N944-L947 PolarHBondContact O-N 2.88Å; N944-Y948 VanDerWaalsContact O-CB 3.28Å; N944-Y948 WeakPolarHBondContact O-CB 3.3Å; N944-Y948 PolarHBondContact O-N 3.32Å; N944-I956 PolarHBondContact ND2-O 3.35Å; N944-I956 PolarHBondContact OD1-N 3.22Å; N944-I956 PolarHBondContact OD1-O 2.81Å; N944-F957 VanDerWaalsContact ND2-CE1 3.28Å; N944-F957 WeakPolarHBondContact ND2-CE1 3.23Å
945K82.1Confident82.5Confident49 Ų4930 Ų3021%0.21315%0.149CC..Hα-helixtrans-58.1-51.9167.3-71.6171.9-178.61700110L207 T941 E942 L947 Y948 D949L207-K945 HydrophobicContact CD2-CG 3.98Å; T941-K945 WeakPolarHBondContact O-CG 3.5Å; T941-K945 PolarHBondContact O-N 3.22Å; E942-K945 WeakPolarHBondContact OE1-CE 3.5Å; E942-K945 IonicContact OE1-NZ 3.27Å; E942-K945 PolarHBondContact OE1-NZ 3.39Å; E942-K945 WeakPolarHBondContact OE2-CD 3.4Å; E942-K945 IonicContact OE2-NZ 3.43Å; E942-K945 PolarHBondContact OE2-NZ 2.73Å; K945-L947 VanDerWaalsContact C-N 3.28Å; K945-L947 PolarHBondContact O-N 3.45Å; K945-Y948 WeakPolarHBondContact O-CB 3.41Å; K945-Y948 PolarHBondContact O-N 2.95Å; K945-D949 VanDerWaalsContact O-CG 3.28Å; K945-D949 PolarHBondContact O-N 3.13Å
946S84.9Confident82Confident37 Ų3729.8 Ų29.826%0.25915%0.147SC..Hα-helixtrans-59-35.6178.5-50.40000113.3E942 F943 K950 F1012 L1081E942-S946 PolarHBondContact O-N 2.94Å; E942-S946 VanDerWaalsContact O-N 3.13Å; E942-S946 PolarHBondContact O-OG 3.18Å; F943-S946 CarbonylContact O-C 3.55Å; F943-S946 WeakPolarHBondContact O-CB 3.33Å; F943-S946 PolarHBondContact O-N 2.82Å; S946-K950 WeakPolarHBondContact O-CG 3.32Å; S946-F1012 WeakPolarHBondContact OG-CE2 3.19Å; S946-L1081 VanDerWaalsContact O-CD2 3.31Å; S946-L1081 WeakPolarHBondContact O-CD2 3.37Å
947L81.5Confident81.6Confident0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-70.9-41.7173.2-75.3172.4000112.5F943 N944 K945 D949 K950 E951 V952 I1077 L1081F943-L947 HydrophobicContact CD1-CD1 3.67Å; F943-L947 HydrophobicContact CD1-CG 4.36Å; F943-L947 HydrophobicContact CE1-CD1 3.43Å; F943-L947 VanDerWaalsContact CE1-CD1 3.43Å; F943-L947 HydrophobicContact CE1-CG 4.17Å; F943-L947 HydrophobicContact CG-CD1 4.43Å; F943-L947 HydrophobicContact CZ-CD1 4.01Å; F943-L947 HydrophobicContact CZ-CD2 4.4Å; F943-L947 HydrophobicContact CZ-CG 4.32Å; F943-L947 WeakPolarHBondContact O-CG 3.27Å; F943-L947 PolarHBondContact O-N 3.28Å; N944-L947 PolarHBondContact O-N 2.88Å; K945-L947 VanDerWaalsContact C-N 3.28Å; K945-L947 PolarHBondContact O-N 3.45Å; L947-D949 VanDerWaalsContact C-N 3.33Å; L947-K950 CarbonylContact O-C 3.47Å; L947-K950 WeakPolarHBondContact O-CA 3.39Å; L947-K950 PolarHBondContact O-N 3.12Å; L947-E951 PolarHBondContact O-N 3.13Å; L947-V952 HydrophobicContact CB-CB 4.07Å; L947-V952 HydrophobicContact CD2-CB 3.8Å; L947-V952 HydrophobicContact CD2-CG1 3.83Å; L947-V952 HydrophobicContact CD2-CG2 4.14Å; L947-V952 WeakPolarHBondContact O-CB 3.48Å; L947-V952 PolarHBondContact O-N 3.12Å; L947-I1077 HydrophobicContact CD2-CG2 4.14Å; L947-L1081 HydrophobicContact CD2-CD1 4.02Å; L947-L1081 HydrophobicContact CD2-CD2 4.14Å; L947-L1081 HydrophobicContact CD2-CG 4.32Å; L947-L1081 HydrophobicContact CG-CD2 4.48Å
948Y75.7Confident81.5Confident36 Ų3628.7 Ų28.714%0.14114%0.142CC..Hα-helixtrans-63.1-39.8177.6-174.6-100.4000111.6L202 L207 Q210 Y461 N944 K945 K950 E951L202-Y948 HydrophobicContact CD2-CE2 4.17Å; L207-Y948 HydrophobicContact CD1-CD2 3.9Å; L207-Y948 HydrophobicContact CD1-CE2 4.29Å; L207-Y948 HydrophobicContact CD1-CG 4.09Å; Q210-Y948 HydrophobicContact CG-CE1 4.49Å; Y461-Y948 AromaticContact CE1-CE1 3.87Å; Y461-Y948 HydrophobicContact CE1-CE1 3.87Å; N944-Y948 VanDerWaalsContact O-CB 3.28Å; N944-Y948 WeakPolarHBondContact O-CB 3.3Å; N944-Y948 PolarHBondContact O-N 3.32Å; K945-Y948 WeakPolarHBondContact O-CB 3.41Å; K945-Y948 PolarHBondContact O-N 2.95Å; Y948-K950 PolarHBondContact O-N 3.46Å; Y948-K950 VanDerWaalsContact O-N 3.07Å; Y948-E951 PolarHBondContact O-N 3.32Å
949D77.6Confident81.3Confident77 Ų7725.6 Ų25.641%0.41213%0.13SC..THydrogen-bonded Turntrans-67.4-1.7172.9-61.5-20.6000113.6Y461 L465 K945 L947Y461-D949 PolarHBondContact OH-OD1 2.99Å; L465-D949 VanDerWaalsContact CD2-O 3.25Å; L465-D949 WeakPolarHBondContact CD2-O 3.37Å; K945-D949 VanDerWaalsContact O-CG 3.28Å; K945-D949 PolarHBondContact O-N 3.13Å; L947-D949 VanDerWaalsContact C-N 3.33Å
950K75.9Confident81Confident69 Ų6926.7 Ų26.730%0.314%0.138SC..THydrogen-bonded Turntrans-121.916172.4-62-64.3-170175.10112.9S946 L947 Y948 V952 L1080 L1081 E1082S946-K950 WeakPolarHBondContact O-CG 3.32Å; L947-K950 CarbonylContact O-C 3.47Å; L947-K950 WeakPolarHBondContact O-CA 3.39Å; L947-K950 PolarHBondContact O-N 3.12Å; Y948-K950 PolarHBondContact O-N 3.46Å; Y948-K950 VanDerWaalsContact O-N 3.07Å; K950-V952 HydrophobicContact CB-CG2 3.96Å; K950-V952 WeakPolarHBondContact O-CG2 3.35Å; K950-V952 PolarHBondContact O-N 3.14Å; K950-L1080 HydrophobicContact CB-CG 4.5Å; K950-L1080 VanDerWaalsContact CE-O 3.27Å; K950-L1080 WeakPolarHBondContact CE-O 3.15Å; K950-L1081 HydrophobicContact CG-CD2 4.15Å; K950-E1082 IonicContact NZ-OE1 2.71Å; K950-E1082 PolarHBondContact NZ-OE1 3.33Å
951E68.4Low81.1Confident48 Ų4826.9 Ų26.922%0.22414%0.139CC..THydrogen-bonded Turntrans58.716.7-174.4-49.3-162.111200115.9H462 L465 C466 L947 Y948 L953H462-E951 IonicContact CE1-OE1 2.77Å; H462-E951 PolarHBondContact CE1-OE1 3.06Å; H462-E951 IonicContact ND1-OE1 3.3Å; H462-E951 PolarHBondContact ND1-OE1 3.38Å; L465-E951 VanDerWaalsContact CB-CD 3.42Å; L465-E951 HydrophobicContact CB-CG 3.46Å; L465-E951 VanDerWaalsContact CB-CG 3.46Å; L465-E951 WeakPolarHBondContact CB-OE1 3.49Å; L465-E951 HydrophobicContact CD1-CG 4.17Å; L465-E951 HydrophobicContact CG-CG 4.28Å; C466-E951 WeakPolarHBondContact CA-OE2 3.39Å; C466-E951 PolarHBondContact N-OE2 2.96Å; C466-E951 PolarHBondContact SG-OE1 3.31Å; C466-E951 PolarHBondContact SG-OE2 2.65Å; L947-E951 PolarHBondContact O-N 3.13Å; Y948-E951 PolarHBondContact O-N 3.32Å; E951-L953 PolarHBondContact O-N 2.97Å
952V71.9Confident81.5Confident15 Ų1525.6 Ų25.69%0.09113%0.131CC..  trans-80.896.6-174.8-170.60000110.2L947 K950 A954 Y1005 L1080L947-V952 HydrophobicContact CB-CB 4.07Å; L947-V952 HydrophobicContact CD2-CB 3.8Å; L947-V952 HydrophobicContact CD2-CG1 3.83Å; L947-V952 HydrophobicContact CD2-CG2 4.14Å; L947-V952 WeakPolarHBondContact O-CB 3.48Å; L947-V952 PolarHBondContact O-N 3.12Å; K950-V952 HydrophobicContact CB-CG2 3.96Å; K950-V952 WeakPolarHBondContact O-CG2 3.35Å; K950-V952 PolarHBondContact O-N 3.14Å; V952-A954 HydrophobicContact CG1-CB 4.35Å; V952-A954 PolarHBondContact O-N 3.49Å; V952-Y1005 HydrophobicContact CG1-CE1 3.72Å; V952-L1080 HydrophobicContact CG2-CD2 3.58Å
953L63.9Low81.9Confident83 Ų8323.8 Ų23.844%0.43512%0.123SC..  trans-75.73.9179.7-55-179.3000114.5Q160 E951Q160-L953 HydrophobicContact CG-CB 3.82Å; Q160-L953 HydrophobicContact CG-CD1 4.21Å; Q160-L953 PolarHBondContact NE2-O 3.43Å; E951-L953 PolarHBondContact O-N 2.97Å
954A67.9Low82.2Confident10 Ų1023.8 Ų23.88%0.08312%0.123CC..  trans-93.6118.1168.500000108.1V952 Y1005 G1036V952-A954 HydrophobicContact CG1-CB 4.35Å; V952-A954 PolarHBondContact O-N 3.49Å; A954-Y1005 HydrophobicContact CB-CD1 4.41Å; A954-Y1005 HydrophobicContact CB-CE1 3.68Å; A954-Y1005 HydrophobicContact CB-CE2 4.35Å; A954-G1036 WeakPolarHBondContact CA-O 3.13Å
955Q73.1Confident82.7Confident4 Ų423.8 Ų23.82%0.01912%0.122CC..EExtended strand (participates in β ladder)trans-131.6150.8-170.7-67.4-168-1.200112F957 T1038Q955-F957 HydrophobicContact CB-CE2 3.95Å; Q955-F957 HydrophobicContact CB-CZ 3.74Å; Q955-T1038 PolarHBondContact O-N 3.37Å
956I84.8Confident83.4Confident1 Ų121.4 Ų21.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-109.7134.2178.2-52.1178.9000108.5V940 F943 N944 F1009 T1038 L1040V940-I956 WeakPolarHBondContact CG1-O 3.29Å; V940-I956 HydrophobicContact CG2-CB 3.63Å; V940-I956 HydrophobicContact CG2-CG2 3.8Å; V940-I956 VanDerWaalsContact CG2-O 3.25Å; V940-I956 WeakPolarHBondContact CG2-O 3.5Å; F943-I956 HydrophobicContact CE1-CD1 4.04Å; F943-I956 HydrophobicContact CE1-CG1 4.5Å; N944-I956 PolarHBondContact ND2-O 3.35Å; N944-I956 PolarHBondContact OD1-N 3.22Å; N944-I956 PolarHBondContact OD1-O 2.81Å; I956-F1009 HydrophobicContact CD1-CB 4.03Å; I956-T1038 CarbonylContact C-O 3.5Å; I956-T1038 WeakPolarHBondContact CA-O 3.29Å; I956-T1038 HydrophobicContact CG2-CG2 4.41Å; I956-L1040 HydrophobicContact CG2-CD1 3.45Å; I956-L1040 VanDerWaalsContact CG2-CD1 3.45Å; I956-L1040 HydrophobicContact CG2-CG 3.82Å
957F85.6Confident83.8Confident24 Ų2420 Ų2011%0.10510%0.101CC..EExtended strand (participates in β ladder)trans-121136.5174-60.5-68.7000109.6L205 N944 Q955 L1037 T1038 Y1039 L1040L205-F957 HydrophobicContact CB-CE1 4.35Å; L205-F957 HydrophobicContact CB-CZ 4.14Å; L205-F957 HydrophobicContact CD2-CE2 4.19Å; L205-F957 HydrophobicContact CD2-CZ 3.59Å; L205-F957 HydrophobicContact CG-CZ 4.46Å; L205-F957 WeakPolarHBondContact O-CE1 3.4Å; N944-F957 VanDerWaalsContact ND2-CE1 3.28Å; N944-F957 WeakPolarHBondContact ND2-CE1 3.23Å; Q955-F957 HydrophobicContact CB-CE2 3.95Å; Q955-F957 HydrophobicContact CB-CZ 3.74Å; F957-L1037 HydrophobicContact CE2-CB 4.45Å; F957-L1037 HydrophobicContact CE2-CD1 4.35Å; F957-L1037 HydrophobicContact CE2-CD2 4.23Å; F957-T1038 PolarHBondContact N-O 2.85Å; F957-Y1039 HydrophobicContact CB-CD1 3.91Å; F957-Y1039 HydrophobicContact CB-CE1 4.25Å; F957-Y1039 HydrophobicContact CD2-CD1 4.15Å; F957-Y1039 AromaticContact CD2-CE1 3.82Å; F957-Y1039 HydrophobicContact CD2-CE1 3.82Å; F957-Y1039 HydrophobicContact CG-CD1 4.41Å; F957-Y1039 HydrophobicContact CG-CE1 4.28Å; F957-Y1039 CarbonylContact O-C 3.58Å; F957-Y1039 WeakPolarHBondContact O-CA 3.5Å; F957-L1040 PolarHBondContact O-N 3.48Å
958Y90Very high84.3Confident2 Ų224.9 Ų24.91%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-88124.5156.2-85.2-81.7000108.6Q933 A936 Q937 V940 F1009 V1023 L1026 L1040 P1043Q933-Y958 HydrophobicContact CG-CD1 4.45Å; A936-Y958 HydrophobicContact CB-CD1 4.19Å; A936-Y958 HydrophobicContact CB-CD2 3.67Å; A936-Y958 HydrophobicContact CB-CE1 4.22Å; A936-Y958 HydrophobicContact CB-CE2 3.7Å; A936-Y958 HydrophobicContact CB-CG 3.92Å; Q937-Y958 PolarHBondContact NE2-O 3.3Å; V940-Y958 HydrophobicContact CB-CD2 4.15Å; V940-Y958 HydrophobicContact CG1-CD2 4.1Å; Y958-F1009 AromaticContact CE2-CE1 3.73Å; Y958-F1009 HydrophobicContact CE2-CE1 3.73Å; Y958-F1009 AromaticContact CE2-CZ 3.98Å; Y958-F1009 HydrophobicContact CE2-CZ 3.98Å; Y958-V1023 HydrophobicContact CE2-CG1 4.31Å; Y958-L1026 WeakPolarHBondContact OH-CD2 3.41Å; Y958-L1040 WeakPolarHBondContact CA-O 3.13Å; Y958-L1040 HydrophobicContact CD1-CB 3.73Å; Y958-L1040 WeakPolarHBondContact CD1-O 3.11Å; Y958-L1040 HydrophobicContact CE1-CB 3.38Å; Y958-L1040 HydrophobicContact CE1-CD1 4.27Å; Y958-L1040 HydrophobicContact CE1-CG 4.48Å; Y958-L1040 HydrophobicContact CE2-CB 4.22Å; Y958-L1040 HydrophobicContact CE2-CD1 3.89Å; Y958-L1040 HydrophobicContact CG-CB 4.28Å; Y958-L1040 WeakPolarHBondContact OH-CD1 3.3Å; Y958-P1043 HydrophobicContact CD1-CB 4.45Å; Y958-P1043 HydrophobicContact CD1-CG 4.03Å; Y958-P1043 HydrophobicContact CE1-CB 3.57Å; Y958-P1043 HydrophobicContact CE1-CG 3.62Å
959I88.2Confident84.9Confident6 Ų625.2 Ų25.23%0.03114%0.142CC..PPolyproline II helixtrans-57128.3173.8-63.6162.6000107.3Q933 S961 E979 P980 M982 W1029 L1040Q933-I959 PolarHBondContact NE2-O 3.02Å; I959-S961 PolarHBondContact O-N 3.29Å; I959-E979 HydrophobicContact CG2-CB 3.91Å; I959-E979 HydrophobicContact CG2-CG 4.49Å; I959-P980 HydrophobicContact CG2-CB 4.25Å; I959-P980 HydrophobicContact CG2-CG 4.11Å; I959-M982 HydrophobicContact CD1-CG 3.56Å; I959-M982 HydrophobicContact CG1-CG 4.36Å; I959-W1029 HydrophobicContact CD1-CE3 3.84Å; I959-W1029 HydrophobicContact CD1-CZ3 3.48Å; I959-W1029 VanDerWaalsContact CD1-CZ3 3.48Å; I959-L1040 WeakPolarHBondContact CG1-O 3.43Å; I959-L1040 PolarHBondContact N-O 3.33Å
960P88.3Confident85.5Confident30 Ų3024.4 Ų24.420%0.19514%0.137CC..PPolyproline II helixtrans-61.4134.1179.924.7-32.9000109.9M934 E979 P980M934-P960 HydrophobicContact SD-CB 4.31Å; P960-E979 WeakPolarHBondContact O-CB 3.4Å; P960-P980 HydrophobicContact CG-CG 4.19Å; P960-P980 WeakPolarHBondContact O-CD 3.47Å
961S93.2Very high86.3Confident4 Ų425.5 Ų25.53%0.02814%0.144CC..  trans-117.8133.1169.7-168.70000110.4V930 M934 I959 V978V930-S961 WeakPolarHBondContact CG1-O 3.46Å; M934-S961 WeakPolarHBondContact CG-O 3.23Å; M934-S961 PolarHBondContact SD-N 2.98Å; I959-S961 PolarHBondContact O-N 3.29Å; S961-V978 VanDerWaalsContact CA-O 3.24Å; S961-V978 WeakPolarHBondContact CA-O 3.41Å; S961-V978 PolarHBondContact OG-O 2.88Å
962D95.4Very high87.4Confident4 Ų423.4 Ų23.42%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-120.1160.2177.7-60.2-43.7000109.5H865 K867 T977 V978H865-D962 IonicContact CD2-OD2 3.93Å; H865-D962 IonicContact CE1-OD2 3.3Å; H865-D962 VanDerWaalsContact NE2-CG 3.29Å; H865-D962 IonicContact NE2-OD2 3.71Å; H865-D962 PolarHBondContact NE2-OD2 3.01Å; K867-D962 WeakPolarHBondContact CE-OD1 3.49Å; K867-D962 WeakPolarHBondContact CE-OD2 3.24Å; K867-D962 WeakPolarHBondContact CG-OD1 3.23Å; K867-D962 IonicContact NZ-OD1 3.2Å; K867-D962 PolarHBondContact NZ-OD1 3.04Å; K867-D962 IonicContact NZ-OD2 3.46Å; K867-D962 PolarHBondContact NZ-OD2 2.97Å; D962-T977 CarbonylContact O-C 3.58Å; D962-T977 WeakPolarHBondContact O-CA 3.31Å; D962-V978 HydrophobicContact CB-CG2 4.03Å; D962-V978 PolarHBondContact N-O 2.75Å; D962-V978 PolarHBondContact O-N 2.87Å
963A96.6Very high88.3Confident0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-101.1138.6171.100000110.7L866 W875 L927 V930L866-A963 HydrophobicContact CB-CB 4.13Å; L866-A963 PolarHBondContact N-O 3.49Å; L866-A963 PolarHBondContact O-N 3.44Å; W875-A963 HydrophobicContact CZ3-CB 4.43Å; L927-A963 HydrophobicContact CD2-CB 4.13Å; V930-A963 HydrophobicContact CG2-CB 4.34Å
964L96.9Very high89.7Confident0 Ų021.3 Ų21.30%013%0.125CC..EExtended strand (participates in β ladder)trans-109.9120167.9-58.1-172.2000109.1L864 H865 V882 V900 F902 I966 C975 I976 V978L864-L964 WeakPolarHBondContact O-CA 3.3Å; H865-L964 HydrophobicContact CB-CD2 3.88Å; V882-L964 HydrophobicContact CB-CD1 4.33Å; V882-L964 HydrophobicContact CG2-CD1 3.78Å; V900-L964 HydrophobicContact CG1-CD1 4.14Å; F902-L964 HydrophobicContact CD1-CD1 4.44Å; L964-I966 HydrophobicContact CB-CD1 4.09Å; L964-C975 WeakPolarHBondContact O-CA 3.27Å; L964-I976 HydrophobicContact CB-CG1 4.02Å; L964-I976 HydrophobicContact CD1-CD1 4.47Å; L964-I976 PolarHBondContact N-O 3.29Å; L964-I976 PolarHBondContact O-N 3.41Å; L964-V978 HydrophobicContact CD1-CG1 3.66Å; L964-V978 HydrophobicContact CD1-CG2 4.31Å; L964-V978 HydrophobicContact CD2-CG2 4.31Å; L964-V978 HydrophobicContact CG-CG1 3.9Å; L964-V978 HydrophobicContact CG-CG2 3.97Å
965L95.4Very high90.9Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-89114.9164.3-60.7176.2000107.6F845 A863 L864 L866 I923 I972 C975F845-L965 HydrophobicContact CE2-CD1 3.85Å; F845-L965 HydrophobicContact CZ-CD1 3.93Å; A863-L965 CarbonylContact C-O 3.41Å; A863-L965 WeakPolarHBondContact CA-O 3.37Å; A863-L965 WeakPolarHBondContact CB-O 3.33Å; L864-L965 HydrophobicContact CB-CB 4.33Å; L864-L965 PolarHBondContact N-O 3.1Å; L864-L965 PolarHBondContact O-N 2.87Å; L866-L965 HydrophobicContact CD1-CD1 3.9Å; L866-L965 HydrophobicContact CD1-CG 4.1Å; L866-L965 HydrophobicContact CD2-CD1 4.03Å; L866-L965 HydrophobicContact CD2-CG 4.39Å; I923-L965 HydrophobicContact CD1-CD2 4.25Å; I923-L965 HydrophobicContact CG2-CD2 3.9Å; L965-I972 HydrophobicContact CD1-CD1 4.3Å; L965-I972 HydrophobicContact CD2-CG2 4.41Å; L965-C975 HydrophobicContact CD2-CB 4.08Å
966I95.6Very high91.9Very high0 Ų020.7 Ų20.70%012%0.12CC..EExtended strand (participates in β ladder)trans-84.3129.7-177.9-50.6-57.2000108.8L854 Y861 A863 V882 I884 L964 V973 G974L854-I966 HydrophobicContact CD1-CG1 4.34Å; Y861-I966 HydrophobicContact CD1-CG2 3.58Å; Y861-I966 HydrophobicContact CD2-CG2 3.76Å; Y861-I966 HydrophobicContact CE1-CG2 4.06Å; Y861-I966 HydrophobicContact CE2-CG2 4.2Å; Y861-I966 HydrophobicContact CG-CG2 3.42Å; Y861-I966 VanDerWaalsContact CG-CG2 3.42Å; A863-I966 HydrophobicContact CB-CD1 4.39Å; V882-I966 HydrophobicContact CG1-CD1 3.97Å; I884-I966 HydrophobicContact CD1-CD1 4.31Å; L964-I966 HydrophobicContact CB-CD1 4.09Å; I966-V973 HydrophobicContact CB-CG2 4.46Å; I966-V973 HydrophobicContact CG2-CG2 4.07Å; I966-V973 WeakPolarHBondContact O-CG2 3.22Å; I966-V973 PolarHBondContact O-N 3.1Å; I966-G974 PolarHBondContact N-O 3.48Å; I966-G974 PolarHBondContact O-N 3.26Å
967L94.4Very high92.5Very high6 Ų620.8 Ų20.83%0.03112%0.121CC..EExtended strand (participates in β ladder)trans-118.9143.6-169.3-56.8-177.1000114.5L824 N862 L864 E971 I972L824-L967 HydrophobicContact CD1-CD1 4.07Å; L824-L967 HydrophobicContact CD1-CD2 3.72Å; N862-L967 HydrophobicContact CB-CB 4.25Å; N862-L967 WeakPolarHBondContact O-CB 3.4Å; N862-L967 PolarHBondContact O-N 3.04Å; L864-L967 HydrophobicContact CG-CD1 4.28Å; L967-E971 CarbonylContact C-O 3.53Å; L967-E971 VanDerWaalsContact CA-O 3.26Å; L967-E971 WeakPolarHBondContact CA-O 3.36Å; L967-I972 HydrophobicContact CD2-CB 4.34Å; L967-I972 HydrophobicContact CD2-CG1 3.77Å
968N90.8Very high92.9Very high104 Ų10419.7 Ų19.756%0.55612%0.116SC*.EExtended strand (participates in β ladder)trans-115.383.3168.3177.339.2000109.6D970 E971 V973N968-D970 PolarHBondContact O-N 3.34Å; N968-E971 HydrophobicContact CB-CB 4.42Å; N968-E971 WeakPolarHBondContact CB-OE2 3.35Å; N968-E971 PolarHBondContact N-O 3.16Å; N968-E971 PolarHBondContact ND2-OE2 3.39Å; N968-E971 PolarHBondContact O-N 3.05Å; N968-V973 HydrophobicContact CB-CG1 3.55Å; N968-V973 HydrophobicContact CB-CG2 4.17Å
969G88.8Confident93Very high42 Ų4220 Ų2043%0.43312%0.117SC..THydrogen-bonded Turntrans74.6-117.2-162.400000109.3
970D91.4Very high93.1Very high60 Ų6020.3 Ų20.332%0.32112%0.12SC..THydrogen-bonded Turntrans-105.4-0.2175.6-55.6-60.9000112.4K366 L824 Y829 N968K366-D970 IonicContact NZ-OD1 3.78Å; L824-D970 HydrophobicContact CB-CB 4.46Å; L824-D970 WeakPolarHBondContact CB-O 3.38Å; L824-D970 PolarHBondContact N-O 3.25Å; Y829-D970 HydrophobicContact CE2-CB 4.3Å; Y829-D970 VanDerWaalsContact CE2-OD1 3.26Å; Y829-D970 WeakPolarHBondContact CE2-OD1 3.5Å; Y829-D970 PolarHBondContact OH-OD1 3.02Å; N968-D970 PolarHBondContact O-N 3.34Å
971E92Very high93Very high92 Ų9221.8 Ų21.843%0.4312%0.122SC..EExtended strand (participates in β ladder)trans-77.9129.7173177.6-171-136.200111.2L967 N968 V973L967-E971 CarbonylContact C-O 3.53Å; L967-E971 VanDerWaalsContact CA-O 3.26Å; L967-E971 WeakPolarHBondContact CA-O 3.36Å; N968-E971 HydrophobicContact CB-CB 4.42Å; N968-E971 WeakPolarHBondContact CB-OE2 3.35Å; N968-E971 PolarHBondContact N-O 3.16Å; N968-E971 PolarHBondContact ND2-OE2 3.39Å; N968-E971 PolarHBondContact O-N 3.05Å; E971-V973 HydrophobicContact CG-CG1 3.84Å; E971-V973 PolarHBondContact O-N 3.34Å; E971-V973 WeakPolarHBondContact OE2-CG1 3.12Å
972I92.1Very high92.5Very high5 Ų523.9 Ų23.93%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-79.7115.9171-56.7167.3000109.3F822 L824 F845 F852 I923 L965 L967F822-I972 HydrophobicContact CB-CB 4.33Å; F822-I972 PolarHBondContact O-N 2.85Å; L824-I972 HydrophobicContact CD1-CG1 4.24Å; L824-I972 HydrophobicContact CD2-CD1 4.09Å; L824-I972 HydrophobicContact CG-CD1 4.22Å; L824-I972 HydrophobicContact CG-CG1 4.14Å; F845-I972 HydrophobicContact CD1-CD1 4.21Å; F845-I972 HydrophobicContact CE1-CD1 3.5Å; F845-I972 VanDerWaalsContact CE1-CD1 3.5Å; F845-I972 HydrophobicContact CZ-CD1 3.83Å; F852-I972 HydrophobicContact CE1-CG2 4.28Å; F852-I972 WeakPolarHBondContact CE1-O 3.37Å; I923-I972 HydrophobicContact CD1-CD1 4.34Å; I923-I972 HydrophobicContact CD1-CG2 4.13Å; L965-I972 HydrophobicContact CD1-CD1 4.3Å; L965-I972 HydrophobicContact CD2-CG2 4.41Å; L967-I972 HydrophobicContact CD2-CB 4.34Å; L967-I972 HydrophobicContact CD2-CG1 3.77Å
973V91.1Very high91.5Very high54 Ų5428.3 Ų28.333%0.32716%0.155SC..EExtended strand (participates in β ladder)trans-111.45.4-178.9-62.40000113.7I966 N968 E971I966-V973 HydrophobicContact CB-CG2 4.46Å; I966-V973 HydrophobicContact CG2-CG2 4.07Å; I966-V973 WeakPolarHBondContact O-CG2 3.22Å; I966-V973 PolarHBondContact O-N 3.1Å; N968-V973 HydrophobicContact CB-CG1 3.55Å; N968-V973 HydrophobicContact CB-CG2 4.17Å; E971-V973 HydrophobicContact CG-CG1 3.84Å; E971-V973 PolarHBondContact O-N 3.34Å; E971-V973 WeakPolarHBondContact OE2-CG1 3.12Å
974G91.4Very high90.4Very high0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans177.8160.6176.500000113.1I966I966-G974 PolarHBondContact N-O 3.48Å; I966-G974 PolarHBondContact O-N 3.26Å
975C93.2Very high89.4Confident1 Ų138.5 Ų38.51%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-136.1137.7167.8-173.10000109.5I923 H926 L964 L965I923-C975 HydrophobicContact CG1-CB 4.21Å; H926-C975 PolarHBondContact CE1-O 2.71Å; L964-C975 WeakPolarHBondContact O-CA 3.27Å; L965-C975 HydrophobicContact CD2-CB 4.08Å
976I95.3Very high88.9Confident0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-136.8152.6170.860.1174.4000109.8L854 I884 V900 D916 L964 V978L854-I976 HydrophobicContact CD2-CG2 4.2Å; I884-I976 HydrophobicContact CD1-CD1 3.75Å; V900-I976 HydrophobicContact CG2-CD1 3.99Å; D916-I976 HydrophobicContact CB-CG2 3.87Å; L964-I976 HydrophobicContact CB-CG1 4.02Å; L964-I976 HydrophobicContact CD1-CD1 4.47Å; L964-I976 PolarHBondContact N-O 3.29Å; L964-I976 PolarHBondContact O-N 3.41Å; I976-V978 HydrophobicContact CD1-CG1 4.08Å; I976-V978 HydrophobicContact CG1-CG1 4.27Å
977T96.1Very high88.4Confident2 Ų244.5 Ų44.51%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-94.6136.216757.80000108.6G914 K915 H926 D929 V930 D962G914-T977 CarbonylContact C-O 3.53Å; G914-T977 WeakPolarHBondContact CA-O 3.5Å; K915-T977 PolarHBondContact N-O 2.69Å; K915-T977 PolarHBondContact O-N 3.29Å; H926-T977 HydrophobicContact CB-CG2 3.75Å; H926-T977 WeakPolarHBondContact O-CG2 3.44Å; D929-T977 HydrophobicContact CB-CG2 4.28Å; V930-T977 HydrophobicContact CG2-CG2 3.72Å; D962-T977 CarbonylContact O-C 3.58Å; D962-T977 WeakPolarHBondContact O-CA 3.31Å
978V95.2Very high88.2Confident1 Ų148.3 Ų48.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-117150.1177.8-64.40000111.5V900 F902 Y912 V913 S961 D962 L964 I976V900-V978 HydrophobicContact CB-CG1 4.4Å; V900-V978 HydrophobicContact CG1-CG1 4.08Å; V900-V978 HydrophobicContact CG2-CG1 4.41Å; F902-V978 HydrophobicContact CE1-CG2 4.13Å; F902-V978 HydrophobicContact CZ-CG2 4.19Å; Y912-V978 HydrophobicContact CD1-CB 4.5Å; V913-V978 VanDerWaalsContact O-CA 3.31Å; V913-V978 WeakPolarHBondContact O-CA 3.48Å; S961-V978 VanDerWaalsContact CA-O 3.24Å; S961-V978 WeakPolarHBondContact CA-O 3.41Å; S961-V978 PolarHBondContact OG-O 2.88Å; D962-V978 HydrophobicContact CB-CG2 4.03Å; D962-V978 PolarHBondContact N-O 2.75Å; D962-V978 PolarHBondContact O-N 2.87Å; L964-V978 HydrophobicContact CD1-CG1 3.66Å; L964-V978 HydrophobicContact CD1-CG2 4.31Å; L964-V978 HydrophobicContact CD2-CG2 4.31Å; L964-V978 HydrophobicContact CG-CG1 3.9Å; L964-V978 HydrophobicContact CG-CG2 3.97Å; I976-V978 HydrophobicContact CD1-CG1 4.08Å; I976-V978 HydrophobicContact CG1-CG1 4.27Å
979E92.3Very high88.1Confident8 Ų843.5 Ų43.54%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-147.6155169.864.7178.3-171.700110.5Y912 V913 K915 Q933 I959 P960 T1041Y912-E979 CarbonylContact C-O 3.59Å; Y912-E979 WeakPolarHBondContact CA-O 3.32Å; Y912-E979 WeakPolarHBondContact CD1-O 3.35Å; V913-E979 PolarHBondContact N-O 3.02Å; V913-E979 PolarHBondContact O-N 2.99Å; K915-E979 VanDerWaalsContact CE-CD 3.47Å; K915-E979 WeakPolarHBondContact CE-OE1 3.35Å; K915-E979 IonicContact NZ-OE1 2.6Å; K915-E979 PolarHBondContact NZ-OE1 2.71Å; K915-E979 IonicContact NZ-OE2 2.62Å; K915-E979 PolarHBondContact NZ-OE2 3.28Å; Q933-E979 PolarHBondContact NE2-OE2 3.38Å; I959-E979 HydrophobicContact CG2-CB 3.91Å; I959-E979 HydrophobicContact CG2-CG 4.49Å; P960-E979 WeakPolarHBondContact O-CB 3.4Å; E979-T1041 VanDerWaalsContact CD-OG1 3.24Å; E979-T1041 PolarHBondContact OE1-OG1 3.25Å; E979-T1041 VanDerWaalsContact OE1-OG1 3.05Å; E979-T1041 PolarHBondContact OE2-OG1 3.37Å
980P89.8Confident88.2Confident14 Ų1441.7 Ų41.79%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-52.2138.9170.8-28.933.7000113.4Y912 I959 P960Y912-P980 HydrophobicContact CD1-CG 4.32Å; Y912-P980 HydrophobicContact CE1-CB 4.46Å; Y912-P980 HydrophobicContact CE1-CG 3.7Å; I959-P980 HydrophobicContact CG2-CB 4.25Å; I959-P980 HydrophobicContact CG2-CG 4.11Å; P960-P980 HydrophobicContact CG-CG 4.19Å; P960-P980 WeakPolarHBondContact O-CD 3.47Å
981Y87.2Confident88Confident60 Ų6039.5 Ų39.524%0.23520%0.204CC..  trans-73.2131.7172.9172.4-103.3000111.3M888 W899 S911 V913 L983M888-Y981 HydrophobicContact CE-CD2 4.06Å; M888-Y981 HydrophobicContact CE-CE2 3.93Å; W899-Y981 HydrophobicContact CH2-CD1 4.07Å; W899-Y981 AromaticContact CH2-CD2 3.62Å; W899-Y981 HydrophobicContact CH2-CD2 3.62Å; W899-Y981 HydrophobicContact CH2-CE1 4.11Å; W899-Y981 AromaticContact CH2-CE2 3.68Å; W899-Y981 HydrophobicContact CH2-CE2 3.68Å; W899-Y981 AromaticContact CH2-CG 3.82Å; W899-Y981 HydrophobicContact CH2-CG 3.82Å; W899-Y981 AromaticContact CH2-CZ 3.93Å; W899-Y981 HydrophobicContact CZ3-CD1 4.16Å; W899-Y981 AromaticContact CZ3-CD2 3.7Å; W899-Y981 HydrophobicContact CZ3-CD2 3.7Å; W899-Y981 HydrophobicContact CZ3-CE2 4.25Å; W899-Y981 AromaticContact CZ3-CG 3.65Å; W899-Y981 HydrophobicContact CZ3-CG 3.65Å; S911-Y981 WeakPolarHBondContact O-CB 3.4Å; S911-Y981 PolarHBondContact O-N 2.94Å; V913-Y981 HydrophobicContact CG2-CD2 3.77Å; V913-Y981 HydrophobicContact CG2-CG 4.36Å; Y981-L983 HydrophobicContact CE1-CB 4.04Å; Y981-L983 WeakPolarHBondContact OH-CD1 3.43Å
982M81.1Confident87.6Confident48 Ų4837 Ų3724%0.23619%0.193CC..  trans-115.2123.3177.3-65.7-62.4-67.500111.1I959 W1029 Y1039I959-M982 HydrophobicContact CD1-CG 3.56Å; I959-M982 HydrophobicContact CG1-CG 4.36Å; M982-W1029 HydrophobicContact CB-CD2 3.63Å; M982-W1029 HydrophobicContact CB-CE3 3.73Å; M982-W1029 HydrophobicContact CB-CG 4.29Å; M982-W1029 HydrophobicContact CB-CH2 3.92Å; M982-W1029 HydrophobicContact CB-CZ2 3.81Å; M982-W1029 HydrophobicContact CB-CZ3 3.89Å; M982-W1029 HydrophobicContact CG-CD2 4.35Å; M982-W1029 HydrophobicContact CG-CE3 3.98Å; M982-W1029 HydrophobicContact CG-CH2 4.45Å; M982-W1029 HydrophobicContact CG-CZ3 4.05Å; M982-Y1039 HydrophobicContact CE-CD1 4.06Å; M982-Y1039 HydrophobicContact CE-CD2 3.65Å; M982-Y1039 HydrophobicContact CE-CE2 4.14Å; M982-Y1039 HydrophobicContact CE-CG 3.59Å
983L74.3Confident87.2Confident98 Ų9839.1 Ų39.151%0.51321%0.207SC..  trans-90.3123.2172.9-177.966.9000110.7Y981Y981-L983 HydrophobicContact CE1-CB 4.04Å; Y981-L983 WeakPolarHBondContact OH-CD1 3.43Å
984G74.2Confident86.6Confident49 Ų4937.4 Ų37.451%0.50520%0.2SC..SBendtrans155.8-179.6172.100000112.8F986 W1029G984-F986 PolarHBondContact O-N 2.92Å; G984-W1029 VanDerWaalsContact C-CD1 3.45Å; G984-W1029 PolarHBondContact O-NE1 3.14Å; G984-W1029 VanDerWaalsContact O-NE1 3.13Å
985Q76.2Confident86.3Confident164 Ų16444 Ų4477%0.76623%0.231SC*.  trans-68.9125.7173.7-174.3176.77.200110.6V987 W1029Q985-V987 HydrophobicContact CG-CG2 4.36Å; Q985-W1029 VanDerWaalsContact O-CD1 3.3Å
986F83.6Confident86.1Confident102 Ų10247.8 Ų47.845%0.44725%0.247SC..EExtended strand (participates in β ladder)trans-83.4135.5173.6-168.7-89.2000110.3G984 Q1027 G1028 W1029 T1041G984-F986 PolarHBondContact O-N 2.92Å; F986-Q1027 HydrophobicContact CE1-CB 3.97Å; F986-Q1027 HydrophobicContact CE1-CG 4.38Å; F986-Q1027 HydrophobicContact CZ-CB 3.81Å; F986-Q1027 HydrophobicContact CZ-CG 3.83Å; F986-G1028 CarbonylContact C-O 3.51Å; F986-G1028 WeakPolarHBondContact CA-O 3.42Å; F986-W1029 HydrophobicContact CD2-CD2 4.31Å; F986-W1029 AromaticContact CD2-CE2 3.89Å; F986-W1029 HydrophobicContact CD2-CE3 4.48Å; F986-W1029 AromaticContact CD2-CH2 3.93Å; F986-W1029 HydrophobicContact CD2-CH2 3.93Å; F986-W1029 AromaticContact CD2-CZ2 3.72Å; F986-W1029 HydrophobicContact CD2-CZ2 3.72Å; F986-W1029 HydrophobicContact CD2-CZ3 4.3Å; F986-W1029 HydrophobicContact CE2-CH2 4.07Å; F986-W1029 HydrophobicContact CE2-CZ2 4.32Å; F986-W1029 HydrophobicContact CE2-CZ3 4.28Å; F986-T1041 HydrophobicContact CE2-CG2 3.92Å; F986-T1041 HydrophobicContact CZ-CG2 4.49Å
987V85.2Confident85.7Confident24 Ų2451.6 Ų51.615%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-136.2136.6-173.1-178.80000109.1Q985 L989 V1000 Q1027 G1028Q985-V987 HydrophobicContact CG-CG2 4.36Å; V987-L989 HydrophobicContact CG1-CD2 3.84Å; V987-V1000 HydrophobicContact CG1-CG2 4.13Å; V987-Q1027 WeakPolarHBondContact O-CA 3.32Å; V987-G1028 PolarHBondContact N-O 2.73Å; V987-G1028 PolarHBondContact O-N 2.68Å
988K90.8Very high85.2Confident87 Ų8756.4 Ų56.438%0.37829%0.288SS..EExtended strand (participates in β ladder)trans-10699.7175-173160.9-171127.80109.8T990 D1025 Q1027K988-T990 WeakPolarHBondContact CE-O 3.44Å; K988-T990 VanDerWaalsContact CG-O 3.26Å; K988-T990 WeakPolarHBondContact CG-O 3.44Å; K988-D1025 WeakPolarHBondContact CE-OD1 3.45Å; K988-D1025 IonicContact NZ-OD1 3.35Å; K988-D1025 PolarHBondContact NZ-OD1 3.02Å; K988-D1025 IonicContact NZ-OD2 2.75Å; K988-D1025 PolarHBondContact NZ-OD2 3.38Å; K988-Q1027 HydrophobicContact CB-CB 4.3Å; K988-Q1027 HydrophobicContact CG-CB 4.15Å
989L89.8Confident84.6Confident2 Ų261.2 Ų61.21%0.0132%0.322CS..SBendtrans-71.2-36.6-175.9-54.5176.5000111.7V987 K996 E997 V1000 A1002 T1003 L1026 T1030 T1038 L1040V987-L989 HydrophobicContact CG1-CD2 3.84Å; L989-K996 CarbonylContact O-C 3.58Å; L989-K996 WeakPolarHBondContact O-CA 3.45Å; L989-E997 PolarHBondContact O-N 3.48Å; L989-V1000 HydrophobicContact CD2-CB 4.04Å; L989-V1000 HydrophobicContact CD2-CG1 3.61Å; L989-A1002 HydrophobicContact CD1-CB 4Å; L989-A1002 HydrophobicContact CD2-CB 4.15Å; L989-T1003 WeakPolarHBondContact CD2-OG1 3.27Å; L989-T1003 WeakPolarHBondContact O-CG2 3.48Å; L989-L1026 HydrophobicContact CB-CB 4.35Å; L989-L1026 WeakPolarHBondContact CB-O 3.4Å; L989-L1026 PolarHBondContact N-O 3.12Å; L989-T1030 HydrophobicContact CD2-CG2 4.3Å; L989-T1038 HydrophobicContact CD1-CG2 3.95Å; L989-L1040 HydrophobicContact CD1-CD2 4.18Å
990T90.5Very high84Confident4 Ų462.2 Ų62.23%0.02533%0.328CS..BIsolated β-bridgetrans-145.9162174.758.40000110.3K988 Q995 K996 T1003 L1007 D1025 L1026K988-T990 WeakPolarHBondContact CE-O 3.44Å; K988-T990 VanDerWaalsContact CG-O 3.26Å; K988-T990 WeakPolarHBondContact CG-O 3.44Å; T990-Q995 WeakPolarHBondContact CA-O 3.31Å; T990-K996 HydrophobicContact CG2-CB 4.12Å; T990-T1003 HydrophobicContact CG2-CG2 4.42Å; T990-L1007 HydrophobicContact CG2-CD2 4.09Å; T990-D1025 CarbonylContact O-C 3.59Å; T990-L1026 HydrophobicContact CG2-CD1 4.46Å; T990-L1026 PolarHBondContact N-O 3.44Å; T990-L1026 PolarHBondContact O-N 3.03Å; T990-L1026 VanDerWaalsContact OG1-CB 3.28Å; T990-L1026 WeakPolarHBondContact OG1-CB 3.42Å; T990-L1026 VanDerWaalsContact OG1-CG 3.23Å; T990-L1026 WeakPolarHBondContact OG1-CG 3.44Å; T990-L1026 PolarHBondContact OG1-N 2.79Å
991N87Confident83.5Confident14 Ų1463.7 Ų63.78%0.07533%0.334CS..  trans-102.5-170.116978.1-7.5000111.9T993 G994 Q995 D1025 Q1069N991-T993 PolarHBondContact ND2-OG1 2.69Å; N991-T993 WeakPolarHBondContact OD1-CA 3.4Å; N991-T993 PolarHBondContact OD1-N 2.85Å; N991-T993 PolarHBondContact OD1-OG1 2.74Å; N991-G994 PolarHBondContact OD1-N 3.06Å; N991-Q995 HydrophobicContact CB-CB 4.31Å; N991-Q995 PolarHBondContact N-O 3.35Å; N991-Q995 VanDerWaalsContact N-O 3.13Å; N991-Q995 WeakPolarHBondContact ND2-CB 3.34Å; N991-Q995 WeakPolarHBondContact ND2-CG 3.43Å; N991-Q995 PolarHBondContact ND2-OE1 2.96Å; N991-Q995 PolarHBondContact OD1-N 3.37Å; N991-Q995 PolarHBondContact OD1-O 3.29Å; N991-D1025 WeakPolarHBondContact CA-OD1 3.47Å; N991-D1025 PolarHBondContact O-N 3.11Å; N991-Q1069 PolarHBondContact O-NE2 2.89Å; N991-Q1069 PolarHBondContact OD1-NE2 3.21Å
992N83.7Confident83.4Confident39 Ų3960.9 Ų60.921%0.20932%0.324CS..SBendtrans-89.29.1173.173-31.9000114.6V1024 D1025 Q1044 H1046N992-V1024 HydrophobicContact CB-CG2 4.18Å; N992-D1025 HydrophobicContact CB-CB 4.16Å; N992-D1025 PolarHBondContact N-OD1 3.5Å; N992-Q1044 HydrophobicContact CB-CB 4.17Å; N992-Q1044 HydrophobicContact CB-CG 4.16Å; N992-H1046 PolarHBondContact O-CE1 2.86Å; N992-H1046 PolarHBondContact O-NE2 3.27Å
993T82.6Confident83.8Confident51 Ų5158.6 Ų58.631%0.31331%0.312SS..SBendtrans-122.5-116.6173.364.70000110.7N991 F1057 I1064 Q1069N991-T993 PolarHBondContact ND2-OG1 2.69Å; N991-T993 WeakPolarHBondContact OD1-CA 3.4Å; N991-T993 PolarHBondContact OD1-N 2.85Å; N991-T993 PolarHBondContact OD1-OG1 2.74Å; T993-F1057 HydrophobicContact CG2-CE2 3.9Å; T993-I1064 VanDerWaalsContact C-CG2 3.41Å; T993-I1064 WeakPolarHBondContact O-CG2 3.34Å; T993-Q1069 WeakPolarHBondContact O-CG 3.44Å; T993-Q1069 PolarHBondContact O-NE2 3.35Å
994G79.9Confident84.5Confident18 Ų1855.9 Ų55.919%0.18630%0.296CS..SBendtrans-106.5-8.3-173.700000116.1N991 E1068N991-G994 PolarHBondContact OD1-N 3.06Å; G994-E1068 WeakPolarHBondContact CA-OE2 3.5Å
995Q85.3Confident85.2Confident138 Ų13855.3 Ų55.365%0.64528%0.279SS*.  trans-80.8143.1-171.3-59.7173.4-40.800112T990 N991 Q1069T990-Q995 WeakPolarHBondContact CA-O 3.31Å; N991-Q995 HydrophobicContact CB-CB 4.31Å; N991-Q995 PolarHBondContact N-O 3.35Å; N991-Q995 VanDerWaalsContact N-O 3.13Å; N991-Q995 WeakPolarHBondContact ND2-CB 3.34Å; N991-Q995 WeakPolarHBondContact ND2-CG 3.43Å; N991-Q995 PolarHBondContact ND2-OE1 2.96Å; N991-Q995 PolarHBondContact OD1-N 3.37Å; N991-Q995 PolarHBondContact OD1-O 3.29Å; Q995-Q1069 PolarHBondContact O-NE2 2.75Å
996K88.7Confident86Confident80 Ų8047.5 Ų47.535%0.34824%0.242SC..BIsolated β-bridgetrans-149.7134-179.260-162.2-180-163.20110.8L989 T990 M998 T1003 L1007 E1068 Q1069L989-K996 CarbonylContact O-C 3.58Å; L989-K996 WeakPolarHBondContact O-CA 3.45Å; T990-K996 HydrophobicContact CG2-CB 4.12Å; K996-M998 HydrophobicContact CB-SD 4.46Å; K996-M998 HydrophobicContact CD-SD 4.18Å; K996-M998 HydrophobicContact CG-CG 4.11Å; K996-M998 HydrophobicContact CG-SD 4.05Å; K996-M998 PolarHBondContact O-N 3.25Å; K996-T1003 HydrophobicContact CB-CG2 4.2Å; K996-L1007 HydrophobicContact CD-CD1 4.17Å; K996-E1068 PolarHBondContact NZ-O 3.29Å; K996-Q1069 VanDerWaalsContact CD-O 3.3Å; K996-Q1069 WeakPolarHBondContact CD-O 3.49Å; K996-Q1069 PolarHBondContact NZ-O 3.35Å
997E87.4Confident86.5Confident81 Ų8143.1 Ų43.138%0.37922%0.224SC..  trans-94.990.2-176.8-179.542.7-98.200110.5L989 S999 V1000 T1003L989-E997 PolarHBondContact O-N 3.48Å; E997-S999 VanDerWaalsContact C-N 3.31Å; E997-S999 VanDerWaalsContact CD-OG 3.28Å; E997-S999 PolarHBondContact O-N 2.75Å; E997-S999 VanDerWaalsContact OE1-CB 3.25Å; E997-S999 WeakPolarHBondContact OE1-CB 3.47Å; E997-S999 PolarHBondContact OE1-N 3.01Å; E997-S999 PolarHBondContact OE1-OG 2.93Å; E997-V1000 HydrophobicContact CG-CG2 4.13Å; E997-V1000 PolarHBondContact O-N 3.43Å; E997-T1003 VanDerWaalsContact O-CB 3.22Å; E997-T1003 WeakPolarHBondContact O-CB 3.12Å; E997-T1003 PolarHBondContact O-OG1 3.18Å
998M84.8Confident86.9Confident103 Ų10342 Ų4251%0.50722%0.217SC..THydrogen-bonded Turntrans-78.7-6.7-171.8-64.9-57-51.900114.7K996 V1000 T1003 L1007K996-M998 HydrophobicContact CB-SD 4.46Å; K996-M998 HydrophobicContact CD-SD 4.18Å; K996-M998 HydrophobicContact CG-CG 4.11Å; K996-M998 HydrophobicContact CG-SD 4.05Å; K996-M998 PolarHBondContact O-N 3.25Å; M998-V1000 PolarHBondContact O-N 3.35Å; M998-T1003 HydrophobicContact SD-CG2 3.88Å; M998-L1007 HydrophobicContact SD-CD1 4.1Å
999S81.4Confident87.1Confident102 Ų10237.9 Ų37.971%0.71320%0.199SC*.THydrogen-bonded Turntrans-71.8-18.617265.30000113.1E997E997-S999 VanDerWaalsContact C-N 3.31Å; E997-S999 VanDerWaalsContact CD-OG 3.28Å; E997-S999 PolarHBondContact O-N 2.75Å; E997-S999 VanDerWaalsContact OE1-CB 3.25Å; E997-S999 WeakPolarHBondContact OE1-CB 3.47Å; E997-S999 PolarHBondContact OE1-N 3.01Å; E997-S999 PolarHBondContact OE1-OG 2.93Å
1000V80.7Confident87.4Confident28 Ų2837.8 Ų37.817%0.1720%0.198CC..SBendtrans-102.5117.2-178.9-177.50000110.1V987 L989 E997 M998 A1002 T1003 T1030V987-V1000 HydrophobicContact CG1-CG2 4.13Å; L989-V1000 HydrophobicContact CD2-CB 4.04Å; L989-V1000 HydrophobicContact CD2-CG1 3.61Å; E997-V1000 HydrophobicContact CG-CG2 4.13Å; E997-V1000 PolarHBondContact O-N 3.43Å; M998-V1000 PolarHBondContact O-N 3.35Å; V1000-A1002 HydrophobicContact CG1-CB 4.07Å; V1000-A1002 PolarHBondContact O-N 2.98Å; V1000-A1002 VanDerWaalsContact O-N 3.12Å; V1000-T1003 VanDerWaalsContact O-CB 3.23Å; V1000-T1003 WeakPolarHBondContact O-CB 3.39Å; V1000-T1003 PolarHBondContact O-N 3.18Å; V1000-T1003 PolarHBondContact O-OG1 2.91Å; V1000-T1030 HydrophobicContact CG1-CG2 4.15Å
1001E79.9Confident87.6Confident46 Ų4637.6 Ų37.622%0.21520%0.197CC..THydrogen-bonded Turntrans-56.7-33.1-175.3-172.373.2165.300113.2T1003 K1004 K1035E1001-T1003 PolarHBondContact O-N 3.37Å; E1001-T1003 VanDerWaalsContact O-N 3.13Å; E1001-K1004 WeakPolarHBondContact O-CB 3.46Å; E1001-K1004 PolarHBondContact O-N 3.05Å; E1001-K1004 IonicContact OE1-NZ 3.71Å; E1001-K1004 PolarHBondContact OE1-NZ 3Å; E1001-K1004 WeakPolarHBondContact OE2-CE 3.42Å; E1001-K1004 IonicContact OE2-NZ 2.71Å; E1001-K1004 PolarHBondContact OE2-NZ 3.45Å; E1001-K1035 HydrophobicContact CB-CG 4.39Å; E1001-K1035 HydrophobicContact CG-CG 4.01Å
1002A83.9Confident88.1Confident1 Ų137.8 Ų37.81%0.00820%0.198CC..Hα-helixtrans-58.5-23.2175.300000113.5L989 V1000 K1004 Y1005 G1006 T1030 T1038L989-A1002 HydrophobicContact CD1-CB 4Å; L989-A1002 HydrophobicContact CD2-CB 4.15Å; V1000-A1002 HydrophobicContact CG1-CB 4.07Å; V1000-A1002 PolarHBondContact O-N 2.98Å; V1000-A1002 VanDerWaalsContact O-N 3.12Å; A1002-K1004 VanDerWaalsContact C-N 3.28Å; A1002-K1004 PolarHBondContact O-N 3.38Å; A1002-Y1005 WeakPolarHBondContact O-CB 3.42Å; A1002-Y1005 PolarHBondContact O-N 3.01Å; A1002-G1006 PolarHBondContact O-N 3.11Å; A1002-T1030 HydrophobicContact CB-CG2 3.67Å; A1002-T1038 HydrophobicContact CB-CG2 4.35Å; A1002-T1038 WeakPolarHBondContact CB-OG1 3.4Å
1003T89.6Confident88.7Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-63.6-32.3174.9-58.30000111.9L989 T990 K996 E997 M998 V1000 E1001 G1006 L1007L989-T1003 WeakPolarHBondContact CD2-OG1 3.27Å; L989-T1003 WeakPolarHBondContact O-CG2 3.48Å; T990-T1003 HydrophobicContact CG2-CG2 4.42Å; K996-T1003 HydrophobicContact CB-CG2 4.2Å; E997-T1003 VanDerWaalsContact O-CB 3.22Å; E997-T1003 WeakPolarHBondContact O-CB 3.12Å; E997-T1003 PolarHBondContact O-OG1 3.18Å; M998-T1003 HydrophobicContact SD-CG2 3.88Å; V1000-T1003 VanDerWaalsContact O-CB 3.23Å; V1000-T1003 WeakPolarHBondContact O-CB 3.39Å; V1000-T1003 PolarHBondContact O-N 3.18Å; V1000-T1003 PolarHBondContact O-OG1 2.91Å; E1001-T1003 PolarHBondContact O-N 3.37Å; E1001-T1003 VanDerWaalsContact O-N 3.13Å; T1003-G1006 PolarHBondContact O-N 3.09Å; T1003-L1007 HydrophobicContact CG2-CD1 4.24Å; T1003-L1007 HydrophobicContact CG2-CG 4.4Å; T1003-L1007 VanDerWaalsContact O-CG 3.3Å; T1003-L1007 WeakPolarHBondContact O-CG 3.13Å; T1003-L1007 PolarHBondContact O-N 3.36Å
1004K90.2Very high89.4Confident41 Ų4134.4 Ų34.418%0.17818%0.176CC..Hα-helixtrans-61.3-46.5173.2-62.2178.1-179.1170.80111.4E1001 A1002 L1007 A1008 N1075 E1076 I1077E1001-K1004 WeakPolarHBondContact O-CB 3.46Å; E1001-K1004 PolarHBondContact O-N 3.05Å; E1001-K1004 IonicContact OE1-NZ 3.71Å; E1001-K1004 PolarHBondContact OE1-NZ 3Å; E1001-K1004 WeakPolarHBondContact OE2-CE 3.42Å; E1001-K1004 IonicContact OE2-NZ 2.71Å; E1001-K1004 PolarHBondContact OE2-NZ 3.45Å; A1002-K1004 VanDerWaalsContact C-N 3.28Å; A1002-K1004 PolarHBondContact O-N 3.38Å; K1004-L1007 PolarHBondContact O-N 2.9Å; K1004-A1008 PolarHBondContact O-N 3.02Å; K1004-N1075 PolarHBondContact O-ND2 3.3Å; K1004-E1076 HydrophobicContact CD-CG 4.39Å; K1004-E1076 IonicContact NZ-OE1 3.8Å; K1004-E1076 PolarHBondContact NZ-OE1 3.42Å; K1004-E1076 IonicContact NZ-OE2 2.71Å; K1004-E1076 PolarHBondContact NZ-OE2 2.92Å; K1004-I1077 HydrophobicContact CB-CG1 4.45Å
1005Y89.1Confident90.1Very high36 Ų3635.6 Ų35.614%0.14118%0.178CC..Hα-helixtrans-64.1-41.3176.5-69.3-96.4000111V952 A954 A1002 A1008 F1009 I1077V952-Y1005 HydrophobicContact CG1-CE1 3.72Å; A954-Y1005 HydrophobicContact CB-CD1 4.41Å; A954-Y1005 HydrophobicContact CB-CE1 3.68Å; A954-Y1005 HydrophobicContact CB-CE2 4.35Å; A1002-Y1005 WeakPolarHBondContact O-CB 3.42Å; A1002-Y1005 PolarHBondContact O-N 3.01Å; Y1005-A1008 PolarHBondContact O-N 2.88Å; Y1005-F1009 WeakPolarHBondContact O-CB 3.27Å; Y1005-F1009 PolarHBondContact O-N 3.22Å; Y1005-I1077 HydrophobicContact CD1-CD1 4.34Å; Y1005-I1077 HydrophobicContact CD1-CG1 4.21Å; Y1005-I1077 HydrophobicContact CD1-CG2 4.12Å; Y1005-I1077 HydrophobicContact CD2-CG1 4.39Å; Y1005-I1077 HydrophobicContact CE1-CD1 3.74Å; Y1005-I1077 HydrophobicContact CE1-CG1 4.11Å; Y1005-I1077 HydrophobicContact CE1-CG2 4.32Å; Y1005-I1077 HydrophobicContact CE2-CD1 4.07Å; Y1005-I1077 HydrophobicContact CE2-CG1 4.29Å; Y1005-I1077 HydrophobicContact CG-CG1 4.34Å
1006G91.8Very high90.6Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-61-42.8174.900000113.5A1002 T1003 F1009 G1010 L1026A1002-G1006 PolarHBondContact O-N 3.11Å; T1003-G1006 PolarHBondContact O-N 3.09Å; G1006-F1009 WeakPolarHBondContact O-CB 3.41Å; G1006-F1009 PolarHBondContact O-N 3.41Å; G1006-G1010 PolarHBondContact O-N 3.31Å; G1006-L1026 VanDerWaalsContact C-CD1 3.45Å; G1006-L1026 VanDerWaalsContact O-CD1 3.27Å; G1006-L1026 WeakPolarHBondContact O-CD1 3.26Å
1007L93.6Very high90.8Very high11 Ų1129.7 Ų29.76%0.05815%0.151CC..Hα-helixtrans-67.2-37.3175.8-68.8171.3000112.3T990 K996 M998 T1003 K1004 G1010 H1011 Q1069T990-L1007 HydrophobicContact CG2-CD2 4.09Å; K996-L1007 HydrophobicContact CD-CD1 4.17Å; M998-L1007 HydrophobicContact SD-CD1 4.1Å; T1003-L1007 HydrophobicContact CG2-CD1 4.24Å; T1003-L1007 HydrophobicContact CG2-CG 4.4Å; T1003-L1007 VanDerWaalsContact O-CG 3.3Å; T1003-L1007 WeakPolarHBondContact O-CG 3.13Å; T1003-L1007 PolarHBondContact O-N 3.36Å; K1004-L1007 PolarHBondContact O-N 2.9Å; L1007-G1010 PolarHBondContact O-N 2.94Å; L1007-H1011 PolarHBondContact O-N 3.37Å; L1007-Q1069 HydrophobicContact CD2-CB 3.98Å; L1007-Q1069 WeakPolarHBondContact CD2-O 3.21Å
1008A94.4Very high91.2Very high0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-69.6-35.917400000112.5F943 K1004 Y1005 H1011 F1012 I1077 C1078F943-A1008 HydrophobicContact CE2-CB 4.39Å; F943-A1008 HydrophobicContact CZ-CB 4.18Å; K1004-A1008 PolarHBondContact O-N 3.02Å; Y1005-A1008 PolarHBondContact O-N 2.88Å; A1008-H1011 PolarHBondContact O-N 2.83Å; A1008-F1012 WeakPolarHBondContact O-CB 3.41Å; A1008-F1012 PolarHBondContact O-N 2.91Å; A1008-I1077 HydrophobicContact CB-CB 3.74Å; A1008-I1077 HydrophobicContact CB-CG2 3.68Å; A1008-C1078 VanDerWaalsContact CA-SG 3.58Å
1009F95.2Very high91.6Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-62.7-44.4169.9168.8-116.9000111.4V940 F943 I956 Y958 Y1005 G1006 H1011 F1012 T1013 V1023 L1026V940-F1009 HydrophobicContact CB-CD2 4.36Å; V940-F1009 HydrophobicContact CB-CE2 3.69Å; V940-F1009 HydrophobicContact CB-CZ 3.93Å; V940-F1009 HydrophobicContact CG2-CD2 3.86Å; V940-F1009 HydrophobicContact CG2-CE2 3.68Å; V940-F1009 HydrophobicContact CG2-CG 4.37Å; V940-F1009 HydrophobicContact CG2-CZ 4.02Å; F943-F1009 HydrophobicContact CB-CD2 3.9Å; F943-F1009 HydrophobicContact CB-CE2 4.41Å; F943-F1009 HydrophobicContact CD1-CB 3.98Å; F943-F1009 AromaticContact CD1-CD2 3.92Å; F943-F1009 HydrophobicContact CD1-CD2 3.92Å; F943-F1009 HydrophobicContact CD1-CG 4.33Å; F943-F1009 HydrophobicContact CD2-CB 4.43Å; F943-F1009 HydrophobicContact CD2-CD2 4.38Å; F943-F1009 HydrophobicContact CE1-CB 3.71Å; F943-F1009 HydrophobicContact CE2-CB 4.19Å; F943-F1009 HydrophobicContact CG-CB 4.33Å; F943-F1009 AromaticContact CG-CD2 3.83Å; F943-F1009 HydrophobicContact CG-CD2 3.83Å; F943-F1009 HydrophobicContact CZ-CB 3.82Å; I956-F1009 HydrophobicContact CD1-CB 4.03Å; Y958-F1009 AromaticContact CE2-CE1 3.73Å; Y958-F1009 HydrophobicContact CE2-CE1 3.73Å; Y958-F1009 AromaticContact CE2-CZ 3.98Å; Y958-F1009 HydrophobicContact CE2-CZ 3.98Å; Y1005-F1009 WeakPolarHBondContact O-CB 3.27Å; Y1005-F1009 PolarHBondContact O-N 3.22Å; G1006-F1009 WeakPolarHBondContact O-CB 3.41Å; G1006-F1009 PolarHBondContact O-N 3.41Å; F1009-H1011 PolarHBondContact O-N 3.05Å; F1009-F1012 WeakPolarHBondContact O-CB 3.21Å; F1009-F1012 PolarHBondContact O-N 3.35Å; F1009-T1013 HydrophobicContact CD2-CG2 3.75Å; F1009-T1013 HydrophobicContact CE1-CG2 4.18Å; F1009-T1013 HydrophobicContact CE2-CG2 3.28Å; F1009-T1013 HydrophobicContact CG-CG2 4.37Å; F1009-T1013 HydrophobicContact CZ-CG2 3.54Å; F1009-T1013 WeakPolarHBondContact O-CG2 3.19Å; F1009-T1013 PolarHBondContact O-N 3.16Å; F1009-T1013 PolarHBondContact O-OG1 3.14Å; F1009-V1023 HydrophobicContact CE1-CB 3.68Å; F1009-V1023 HydrophobicContact CE1-CG1 3.75Å; F1009-V1023 HydrophobicContact CE1-CG2 4.18Å; F1009-V1023 HydrophobicContact CZ-CB 4.01Å; F1009-V1023 HydrophobicContact CZ-CG1 4.23Å; F1009-V1023 HydrophobicContact CZ-CG2 3.97Å; F1009-L1026 HydrophobicContact CD1-CD1 4.46Å; F1009-L1026 HydrophobicContact CD1-CD2 4.09Å; F1009-L1026 HydrophobicContact CE1-CD2 4.08Å
1010G95.3Very high92.2Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-55.5-49.3171.700000111.9G1006 L1007 F1012 T1013 Y1014 V1022G1006-G1010 PolarHBondContact O-N 3.31Å; L1007-G1010 PolarHBondContact O-N 2.94Å; G1010-F1012 PolarHBondContact O-N 2.85Å; G1010-T1013 PolarHBondContact O-N 3.35Å; G1010-T1013 PolarHBondContact O-OG1 3.02Å; G1010-Y1014 PolarHBondContact O-N 3.41Å; G1010-V1022 WeakPolarHBondContact O-CG2 3.5Å
1011H96.2Very high93Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-59-46.2176.4-178-171.2000111.7L1007 A1008 F1009 Y1014 L1015 H1070 C1074 C1078 L1083 T1084 L1086L1007-H1011 PolarHBondContact O-N 3.37Å; A1008-H1011 PolarHBondContact O-N 2.83Å; F1009-H1011 PolarHBondContact O-N 3.05Å; H1011-Y1014 PolarHBondContact O-N 3.13Å; H1011-L1015 PolarHBondContact O-N 3.29Å; H1011-H1070 AromaticContact CG-NE2 3.86Å; H1011-H1070 AromaticContact ND1-NE2 3.42Å; H1011-H1070 PolarHBondContact ND1-NE2 2.88Å; H1011-C1074 PolarHBondContact CE1-SG 3.29Å; H1011-C1078 PolarHBondContact ND1-SG 3.14Å; H1011-L1083 HydrophobicContact CB-CD1 4.11Å; H1011-L1083 WeakPolarHBondContact CE1-CB 3.45Å; H1011-T1084 PolarHBondContact NE2-O 3.23Å; H1011-L1086 HydrophobicContact CB-CD1 4.48Å
1012F96.5Very high93.7Very high19 Ų1924.4 Ų24.48%0.08312%0.121CC..Hα-helixtrans-57.8-51.1174.1176.7-91.8000111.6E942 F943 S946 A1008 F1009 G1010 Y1014 L1015 F1016 L1083E942-F1012 HydrophobicContact CB-CE1 4.1Å; E942-F1012 HydrophobicContact CB-CZ 3.95Å; F943-F1012 HydrophobicContact CB-CD1 3.81Å; F943-F1012 HydrophobicContact CB-CE1 3.91Å; F943-F1012 HydrophobicContact CB-CG 4.31Å; F943-F1012 HydrophobicContact CB-CZ 4.49Å; F943-F1012 HydrophobicContact CD2-CB 3.62Å; F943-F1012 AromaticContact CD2-CD1 3.98Å; F943-F1012 HydrophobicContact CD2-CD1 3.98Å; F943-F1012 HydrophobicContact CD2-CD2 4.1Å; F943-F1012 AromaticContact CD2-CG 3.64Å; F943-F1012 HydrophobicContact CD2-CG 3.64Å; F943-F1012 HydrophobicContact CE2-CB 4.02Å; F943-F1012 HydrophobicContact CE2-CG 4.48Å; F943-F1012 HydrophobicContact CG-CD1 4.34Å; F943-F1012 HydrophobicContact CG-CG 4.44Å; S946-F1012 WeakPolarHBondContact OG-CE2 3.19Å; A1008-F1012 WeakPolarHBondContact O-CB 3.41Å; A1008-F1012 PolarHBondContact O-N 2.91Å; F1009-F1012 WeakPolarHBondContact O-CB 3.21Å; F1009-F1012 PolarHBondContact O-N 3.35Å; G1010-F1012 PolarHBondContact O-N 2.85Å; F1012-Y1014 VanDerWaalsContact C-N 3.26Å; F1012-Y1014 PolarHBondContact O-N 3.05Å; F1012-L1015 PolarHBondContact O-N 3.34Å; F1012-L1015 VanDerWaalsContact O-N 3.11Å; F1012-F1016 HydrophobicContact CD1-CB 4.25Å; F1012-F1016 HydrophobicContact CE1-CB 3.97Å; F1012-F1016 HydrophobicContact CE1-CD1 4.48Å; F1012-F1016 HydrophobicContact CE1-CD2 4.11Å; F1012-F1016 AromaticContact CE1-CG 3.94Å; F1012-F1016 HydrophobicContact CE1-CG 3.94Å; F1012-F1016 HydrophobicContact CE2-CD2 4.42Å; F1012-F1016 HydrophobicContact CZ-CB 4.2Å; F1012-F1016 AromaticContact CZ-CD2 3.72Å; F1012-F1016 HydrophobicContact CZ-CD2 3.72Å; F1012-F1016 HydrophobicContact CZ-CE2 4.32Å; F1012-F1016 HydrophobicContact CZ-CG 4.02Å; F1012-F1016 WeakPolarHBondContact O-CB 3.42Å; F1012-F1016 PolarHBondContact O-N 3.26Å; F1012-L1083 HydrophobicContact CB-CD1 4.16Å; F1012-L1083 HydrophobicContact CD2-CD2 4.16Å
1013T96.7Very high94.3Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-61-35.4179.866.80000112.5Y939 F1009 G1010 S1017 E1021 V1023Y939-T1013 HydrophobicContact CD2-CG2 4.09Å; Y939-T1013 HydrophobicContact CG-CG2 4.18Å; F1009-T1013 HydrophobicContact CD2-CG2 3.75Å; F1009-T1013 HydrophobicContact CE1-CG2 4.18Å; F1009-T1013 HydrophobicContact CE2-CG2 3.28Å; F1009-T1013 HydrophobicContact CG-CG2 4.37Å; F1009-T1013 HydrophobicContact CZ-CG2 3.54Å; F1009-T1013 WeakPolarHBondContact O-CG2 3.19Å; F1009-T1013 PolarHBondContact O-N 3.16Å; F1009-T1013 PolarHBondContact O-OG1 3.14Å; G1010-T1013 PolarHBondContact O-N 3.35Å; G1010-T1013 PolarHBondContact O-OG1 3.02Å; T1013-S1017 WeakPolarHBondContact O-CB 3.41Å; T1013-S1017 PolarHBondContact O-N 2.98Å; T1013-S1017 PolarHBondContact O-OG 2.85Å; T1013-E1021 CarbonylContact C-O 3.59Å; T1013-V1023 HydrophobicContact CG2-CB 4.26Å; T1013-V1023 HydrophobicContact CG2-CG2 3.76Å; T1013-V1023 PolarHBondContact OG1-N 3.46Å; T1013-V1023 VanDerWaalsContact OG1-N 3.16Å
1014Y96.3Very high94.5Very high19 Ų1924.4 Ų24.48%0.07512%0.122CC..Hα-helixtrans-65.6-42.1174.4-176.4-108.1000112.5G1010 H1011 F1012 S1017 R1019 E1021 L1062 R1066 L1086G1010-Y1014 PolarHBondContact O-N 3.41Å; H1011-Y1014 PolarHBondContact O-N 3.13Å; F1012-Y1014 VanDerWaalsContact C-N 3.26Å; F1012-Y1014 PolarHBondContact O-N 3.05Å; Y1014-S1017 PolarHBondContact O-OG 3.28Å; Y1014-R1019 HydrophobicContact CD1-CG 4.33Å; Y1014-R1019 HydrophobicContact CE1-CB 4.07Å; Y1014-R1019 HydrophobicContact CE1-CG 3.76Å; Y1014-R1019 HydrophobicContact CE2-CB 3.85Å; Y1014-R1019 HydrophobicContact CE2-CG 4.44Å; Y1014-R1019 VanDerWaalsContact CE2-O 3.26Å; Y1014-R1019 WeakPolarHBondContact CE2-O 3.41Å; Y1014-R1019 WeakPolarHBondContact O-CA 3.35Å; Y1014-R1019 PolarHBondContact O-N 3.07Å; Y1014-E1021 WeakPolarHBondContact CA-O 3.49Å; Y1014-L1062 HydrophobicContact CD2-CD2 3.78Å; Y1014-L1062 HydrophobicContact CE2-CB 4.39Å; Y1014-L1062 HydrophobicContact CE2-CD2 3.88Å; Y1014-R1066 HydrophobicContact CE1-CG 4.46Å; Y1014-R1066 PolarHBondContact OH-NH1 3.18Å; Y1014-R1066 VanDerWaalsContact OH-NH1 3.08Å; Y1014-L1086 HydrophobicContact CD1-CD1 4.19Å; Y1014-L1086 HydrophobicContact CD1-CD2 3.68Å; Y1014-L1086 HydrophobicContact CE1-CD2 3.94Å
1015L95.6Very high94.6Very high43 Ų4323.5 Ų23.523%0.22512%0.119CC..Hα-helixtrans-71.9-49.5175.3-65.5-179.1000111.9H1011 F1012 S1017 G1018 L1083 L1086H1011-L1015 PolarHBondContact O-N 3.29Å; F1012-L1015 PolarHBondContact O-N 3.34Å; F1012-L1015 VanDerWaalsContact O-N 3.11Å; L1015-S1017 VanDerWaalsContact C-N 3.34Å; L1015-S1017 PolarHBondContact O-N 3.13Å; L1015-G1018 PolarHBondContact O-N 2.64Å; L1015-L1083 HydrophobicContact CD1-CB 4.03Å; L1015-L1083 HydrophobicContact CD1-CD2 4.48Å; L1015-L1086 HydrophobicContact CD2-CD2 4.04Å
1016F94.9Very high94.9Very high89 Ų8922 Ų2239%0.3911%0.113SC..Hα-helixtrans-63-35.7-175.8-173.4-95.7000112.9Y938 Y939 E942 F1012 G1018Y938-F1016 HydrophobicContact CE1-CE1 4Å; Y939-F1016 AromaticContact CD1-CD1 3.61Å; Y939-F1016 HydrophobicContact CD1-CD1 3.61Å; Y939-F1016 AromaticContact CD1-CE1 3.75Å; Y939-F1016 HydrophobicContact CD1-CE1 3.75Å; Y939-F1016 AromaticContact CE1-CD1 3.76Å; Y939-F1016 HydrophobicContact CE1-CD1 3.76Å; Y939-F1016 AromaticContact CE1-CE1 3.9Å; Y939-F1016 HydrophobicContact CE1-CE1 3.9Å; E942-F1016 HydrophobicContact CB-CE2 4.18Å; E942-F1016 HydrophobicContact CB-CZ 4.05Å; E942-F1016 HydrophobicContact CG-CE1 4.31Å; E942-F1016 HydrophobicContact CG-CE2 4.34Å; E942-F1016 HydrophobicContact CG-CZ 3.78Å; F1012-F1016 HydrophobicContact CD1-CB 4.25Å; F1012-F1016 HydrophobicContact CE1-CB 3.97Å; F1012-F1016 HydrophobicContact CE1-CD1 4.48Å; F1012-F1016 HydrophobicContact CE1-CD2 4.11Å; F1012-F1016 AromaticContact CE1-CG 3.94Å; F1012-F1016 HydrophobicContact CE1-CG 3.94Å; F1012-F1016 HydrophobicContact CE2-CD2 4.42Å; F1012-F1016 HydrophobicContact CZ-CB 4.2Å; F1012-F1016 AromaticContact CZ-CD2 3.72Å; F1012-F1016 HydrophobicContact CZ-CD2 3.72Å; F1012-F1016 HydrophobicContact CZ-CE2 4.32Å; F1012-F1016 HydrophobicContact CZ-CG 4.02Å; F1012-F1016 WeakPolarHBondContact O-CB 3.42Å; F1012-F1016 PolarHBondContact O-N 3.26Å; F1016-G1018 PolarHBondContact O-N 2.67Å
1017S94.1Very high94.9Very high4 Ų423 Ų233%0.02812%0.118CC..THydrogen-bonded Turntrans-71.5-3.1173.470.50000113.9T1013 Y1014 L1015 Q1020 E1021 R1049T1013-S1017 WeakPolarHBondContact O-CB 3.41Å; T1013-S1017 PolarHBondContact O-N 2.98Å; T1013-S1017 PolarHBondContact O-OG 2.85Å; Y1014-S1017 PolarHBondContact O-OG 3.28Å; L1015-S1017 VanDerWaalsContact C-N 3.34Å; L1015-S1017 PolarHBondContact O-N 3.13Å; S1017-Q1020 PolarHBondContact OG-N 3.15Å; S1017-E1021 PolarHBondContact OG-N 2.66Å; S1017-E1021 PolarHBondContact OG-O 3.26Å; S1017-R1049 PolarHBondContact O-NH2 3.09Å
1018G94.3Very high94.7Very high52 Ų5222.6 Ų22.654%0.53612%0.116SC..THydrogen-bonded Turntrans74.633.7-17200000112.8L1015 F1016 Q1020L1015-G1018 PolarHBondContact O-N 2.64Å; F1016-G1018 PolarHBondContact O-N 2.67Å; G1018-Q1020 VanDerWaalsContact C-N 3.26Å; G1018-Q1020 PolarHBondContact O-N 3.05Å
1019R94.2Very high94.3Very high105 Ų10524.4 Ų24.440%0.39612%0.123SC..SBendtrans6715.9-178.9-56.5-177.8-180-177.9-2.8115.8Y1014Y1014-R1019 HydrophobicContact CD1-CG 4.33Å; Y1014-R1019 HydrophobicContact CE1-CB 4.07Å; Y1014-R1019 HydrophobicContact CE1-CG 3.76Å; Y1014-R1019 HydrophobicContact CE2-CB 3.85Å; Y1014-R1019 HydrophobicContact CE2-CG 4.44Å; Y1014-R1019 VanDerWaalsContact CE2-O 3.26Å; Y1014-R1019 WeakPolarHBondContact CE2-O 3.41Å; Y1014-R1019 WeakPolarHBondContact O-CA 3.35Å; Y1014-R1019 PolarHBondContact O-N 3.07Å
1020Q94.7Very high93.2Very high81 Ų8126.2 Ų26.238%0.37913%0.134SC..SBendtrans-100.2-21-176.3-65.6-174.1-40.200113.7S1017 G1018 S1047 T1048 R1049S1017-Q1020 PolarHBondContact OG-N 3.15Å; G1018-Q1020 VanDerWaalsContact C-N 3.26Å; G1018-Q1020 PolarHBondContact O-N 3.05Å; Q1020-S1047 WeakPolarHBondContact O-CA 3.47Å; Q1020-T1048 PolarHBondContact O-N 2.92Å; Q1020-T1048 PolarHBondContact O-OG1 3.5Å; Q1020-R1049 HydrophobicContact CB-CG 4.11Å; Q1020-R1049 VanDerWaalsContact OE1-CZ 3.24Å
1021E96.1Very high91.8Very high11 Ų1128.3 Ų28.35%0.05115%0.147CC..EExtended strand (participates in β ladder)trans-141.4144.4-174.4-47.6-167.3114.600111.8Y939 T1013 Y1014 S1017 I1045 H1046 S1047 R1049Y939-E1021 PolarHBondContact OH-OE2 2.6Å; T1013-E1021 CarbonylContact C-O 3.59Å; Y1014-E1021 WeakPolarHBondContact CA-O 3.49Å; S1017-E1021 PolarHBondContact OG-N 2.66Å; S1017-E1021 PolarHBondContact OG-O 3.26Å; E1021-I1045 HydrophobicContact CB-CG2 4.14Å; E1021-H1046 CarbonylContact C-O 3.46Å; E1021-H1046 VanDerWaalsContact CA-O 3.24Å; E1021-H1046 WeakPolarHBondContact CA-O 3.34Å; E1021-S1047 WeakPolarHBondContact OE1-CB 3.3Å; E1021-S1047 PolarHBondContact OE1-OG 2.87Å; E1021-R1049 HydrophobicContact CG-CG 4.3Å; E1021-R1049 IonicContact OE2-CZ 3.8Å; E1021-R1049 IonicContact OE2-NH1 2.8Å; E1021-R1049 PolarHBondContact OE2-NH1 2.64Å
1022V96.2Very high89.7Confident0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-138138.2169.866.90000110.8G1010 V1024 I1045 H1046 L1062 F1065G1010-V1022 WeakPolarHBondContact O-CG2 3.5Å; V1022-V1024 HydrophobicContact CG1-CG1 4.11Å; V1022-V1024 HydrophobicContact CG2-CG1 4.25Å; V1022-I1045 WeakPolarHBondContact O-CA 3.5Å; V1022-H1046 HydrophobicContact CG1-CB 3.99Å; V1022-H1046 PolarHBondContact N-O 2.85Å; V1022-H1046 PolarHBondContact O-N 2.68Å; V1022-L1062 HydrophobicContact CB-CD2 3.94Å; V1022-L1062 HydrophobicContact CG1-CD2 3.57Å; V1022-F1065 HydrophobicContact CG1-CB 4.11Å; V1022-F1065 HydrophobicContact CG1-CG 4.25Å; V1022-F1065 HydrophobicContact CG2-CD1 3.82Å; V1022-F1065 HydrophobicContact CG2-CD2 3.85Å; V1022-F1065 HydrophobicContact CG2-CE1 4.02Å; V1022-F1065 HydrophobicContact CG2-CE2 4.05Å; V1022-F1065 HydrophobicContact CG2-CG 3.75Å; V1022-F1065 HydrophobicContact CG2-CZ 4.15Å
1023V96.1Very high87.6Confident1 Ų139 Ų391%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-88.6128.3174.1-170.50000109.7A936 Y939 Y958 F1009 T1013 L1026 P1043 I1045A936-V1023 HydrophobicContact CB-CG1 3.9Å; A936-V1023 HydrophobicContact CB-CG2 4.25Å; Y939-V1023 HydrophobicContact CD2-CG2 3.95Å; Y958-V1023 HydrophobicContact CE2-CG1 4.31Å; F1009-V1023 HydrophobicContact CE1-CB 3.68Å; F1009-V1023 HydrophobicContact CE1-CG1 3.75Å; F1009-V1023 HydrophobicContact CE1-CG2 4.18Å; F1009-V1023 HydrophobicContact CZ-CB 4.01Å; F1009-V1023 HydrophobicContact CZ-CG1 4.23Å; F1009-V1023 HydrophobicContact CZ-CG2 3.97Å; T1013-V1023 HydrophobicContact CG2-CB 4.26Å; T1013-V1023 HydrophobicContact CG2-CG2 3.76Å; T1013-V1023 PolarHBondContact OG1-N 3.46Å; T1013-V1023 VanDerWaalsContact OG1-N 3.16Å; V1023-L1026 HydrophobicContact CG1-CD2 3.98Å; V1023-P1043 HydrophobicContact CG1-CB 3.91Å; V1023-I1045 HydrophobicContact CG2-CD1 4.42Å; V1023-I1045 HydrophobicContact CG2-CG1 4.23Å
1024V93.7Very high85.4Confident1 Ų139.1 Ų39.11%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-140.8-174.1-177.5-630000110N992 V1022 L1026 Q1044 F1065N992-V1024 HydrophobicContact CB-CG2 4.18Å; V1022-V1024 HydrophobicContact CG1-CG1 4.11Å; V1022-V1024 HydrophobicContact CG2-CG1 4.25Å; V1024-L1026 VanDerWaalsContact C-N 3.27Å; V1024-L1026 PolarHBondContact O-N 3.4Å; V1024-Q1044 HydrophobicContact CG2-CB 4.14Å; V1024-Q1044 HydrophobicContact CG2-CG 4.38Å; V1024-Q1044 PolarHBondContact N-O 3.34Å; V1024-Q1044 PolarHBondContact O-N 3.02Å; V1024-F1065 HydrophobicContact CG1-CD2 3.96Å
1025D92.9Very high83.2Confident22 Ų2244.6 Ų44.612%0.11824%0.237CC..  trans58.140.5-172-141.355.6000112K988 T990 N991 N992 Q1027 Q1044K988-D1025 WeakPolarHBondContact CE-OD1 3.45Å; K988-D1025 IonicContact NZ-OD1 3.35Å; K988-D1025 PolarHBondContact NZ-OD1 3.02Å; K988-D1025 IonicContact NZ-OD2 2.75Å; K988-D1025 PolarHBondContact NZ-OD2 3.38Å; T990-D1025 CarbonylContact O-C 3.59Å; N991-D1025 WeakPolarHBondContact CA-OD1 3.47Å; N991-D1025 PolarHBondContact O-N 3.11Å; N992-D1025 HydrophobicContact CB-CB 4.16Å; N992-D1025 PolarHBondContact N-OD1 3.5Å; D1025-Q1027 WeakPolarHBondContact O-CG 3.49Å; D1025-Q1027 PolarHBondContact O-N 3.28Å; D1025-Q1027 VanDerWaalsContact O-N 3.1Å; D1025-Q1027 PolarHBondContact O-NE2 3.39Å; D1025-Q1027 PolarHBondContact OD2-NE2 3.19Å; D1025-Q1044 HydrophobicContact CB-CB 3.85Å
1026L93.9Very high81.6Confident3 Ų342.9 Ų42.92%0.01623%0.229CC..  trans-67.9107.5-174.7-49.3178.4000110Y958 L989 T990 G1006 F1009 V1023 V1024 L1040Y958-L1026 WeakPolarHBondContact OH-CD2 3.41Å; L989-L1026 HydrophobicContact CB-CB 4.35Å; L989-L1026 WeakPolarHBondContact CB-O 3.4Å; L989-L1026 PolarHBondContact N-O 3.12Å; T990-L1026 HydrophobicContact CG2-CD1 4.46Å; T990-L1026 PolarHBondContact N-O 3.44Å; T990-L1026 PolarHBondContact O-N 3.03Å; T990-L1026 VanDerWaalsContact OG1-CB 3.28Å; T990-L1026 WeakPolarHBondContact OG1-CB 3.42Å; T990-L1026 VanDerWaalsContact OG1-CG 3.23Å; T990-L1026 WeakPolarHBondContact OG1-CG 3.44Å; T990-L1026 PolarHBondContact OG1-N 2.79Å; G1006-L1026 VanDerWaalsContact C-CD1 3.45Å; G1006-L1026 VanDerWaalsContact O-CD1 3.27Å; G1006-L1026 WeakPolarHBondContact O-CD1 3.26Å; F1009-L1026 HydrophobicContact CD1-CD1 4.46Å; F1009-L1026 HydrophobicContact CD1-CD2 4.09Å; F1009-L1026 HydrophobicContact CE1-CD2 4.08Å; V1023-L1026 HydrophobicContact CG1-CD2 3.98Å; V1024-L1026 VanDerWaalsContact C-N 3.27Å; V1024-L1026 PolarHBondContact O-N 3.4Å; L1026-L1040 HydrophobicContact CB-CD1 4.09Å; L1026-L1040 HydrophobicContact CD2-CD1 4.21Å
1027Q91.9Very high80.6Confident22 Ų2238.8 Ų38.810%0.10321%0.212CC..EExtended strand (participates in β ladder)trans-144.3145.8-173.462.8-157.5-24.500112.6F986 V987 K988 D1025 L1040 T1041 D1042F986-Q1027 HydrophobicContact CE1-CB 3.97Å; F986-Q1027 HydrophobicContact CE1-CG 4.38Å; F986-Q1027 HydrophobicContact CZ-CB 3.81Å; F986-Q1027 HydrophobicContact CZ-CG 3.83Å; V987-Q1027 WeakPolarHBondContact O-CA 3.32Å; K988-Q1027 HydrophobicContact CB-CB 4.3Å; K988-Q1027 HydrophobicContact CG-CB 4.15Å; D1025-Q1027 WeakPolarHBondContact O-CG 3.49Å; D1025-Q1027 PolarHBondContact O-N 3.28Å; D1025-Q1027 VanDerWaalsContact O-N 3.1Å; D1025-Q1027 PolarHBondContact O-NE2 3.39Å; D1025-Q1027 PolarHBondContact OD2-NE2 3.19Å; Q1027-L1040 VanDerWaalsContact O-CA 3.24Å; Q1027-L1040 WeakPolarHBondContact O-CA 3.41Å; Q1027-L1040 WeakPolarHBondContact O-CD2 3.36Å; Q1027-T1041 WeakPolarHBondContact CG-O 3.47Å; Q1027-T1041 PolarHBondContact O-N 3.08Å; Q1027-D1042 PolarHBondContact NE2-O 3.09Å
1028G89.7Confident79.9Confident2 Ų238.9 Ų38.92%0.02121%0.212CC..EExtended strand (participates in β ladder)trans153.7-139-176.700000113.1F986 V987 Y1039F986-G1028 CarbonylContact C-O 3.51Å; F986-G1028 WeakPolarHBondContact CA-O 3.42Å; V987-G1028 PolarHBondContact N-O 2.73Å; V987-G1028 PolarHBondContact O-N 2.68Å; G1028-Y1039 CarbonylContact C-O 3.56Å; G1028-Y1039 VanDerWaalsContact CA-O 3.27Å; G1028-Y1039 WeakPolarHBondContact CA-O 3.36Å
1029W85.9Confident79.5Confident38 Ų3838.1 Ų38.114%0.14419%0.193CC..EExtended strand (participates in β ladder)trans-121.4132.1-169.2-60.6-93.8000112.2I959 M982 G984 Q985 F986 T1038 Y1039 T1041I959-W1029 HydrophobicContact CD1-CE3 3.84Å; I959-W1029 HydrophobicContact CD1-CZ3 3.48Å; I959-W1029 VanDerWaalsContact CD1-CZ3 3.48Å; M982-W1029 HydrophobicContact CB-CD2 3.63Å; M982-W1029 HydrophobicContact CB-CE3 3.73Å; M982-W1029 HydrophobicContact CB-CG 4.29Å; M982-W1029 HydrophobicContact CB-CH2 3.92Å; M982-W1029 HydrophobicContact CB-CZ2 3.81Å; M982-W1029 HydrophobicContact CB-CZ3 3.89Å; M982-W1029 HydrophobicContact CG-CD2 4.35Å; M982-W1029 HydrophobicContact CG-CE3 3.98Å; M982-W1029 HydrophobicContact CG-CH2 4.45Å; M982-W1029 HydrophobicContact CG-CZ3 4.05Å; G984-W1029 VanDerWaalsContact C-CD1 3.45Å; G984-W1029 PolarHBondContact O-NE1 3.14Å; G984-W1029 VanDerWaalsContact O-NE1 3.13Å; Q985-W1029 VanDerWaalsContact O-CD1 3.3Å; F986-W1029 HydrophobicContact CD2-CD2 4.31Å; F986-W1029 AromaticContact CD2-CE2 3.89Å; F986-W1029 HydrophobicContact CD2-CE3 4.48Å; F986-W1029 AromaticContact CD2-CH2 3.93Å; F986-W1029 HydrophobicContact CD2-CH2 3.93Å; F986-W1029 AromaticContact CD2-CZ2 3.72Å; F986-W1029 HydrophobicContact CD2-CZ2 3.72Å; F986-W1029 HydrophobicContact CD2-CZ3 4.3Å; F986-W1029 HydrophobicContact CE2-CH2 4.07Å; F986-W1029 HydrophobicContact CE2-CZ2 4.32Å; F986-W1029 HydrophobicContact CE2-CZ3 4.28Å; W1029-T1038 CarbonylContact O-C 3.47Å; W1029-T1038 WeakPolarHBondContact O-CA 3.38Å; W1029-Y1039 PolarHBondContact N-O 2.8Å; W1029-Y1039 PolarHBondContact O-N 2.9Å; W1029-T1041 HydrophobicContact CH2-CG2 4.09Å; W1029-T1041 HydrophobicContact CZ3-CG2 3.7Å
1030T72.8Confident79.4Confident39 Ų3933.1 Ų33.124%0.23918%0.175CC..EExtended strand (participates in β ladder)trans-111.8131.1176.857.20000111.6L989 V1000 A1002 T1038L989-T1030 HydrophobicContact CD2-CG2 4.3Å; V1000-T1030 HydrophobicContact CG1-CG2 4.15Å; A1002-T1030 HydrophobicContact CB-CG2 3.67Å; T1030-T1038 HydrophobicContact CG2-CG2 4.06Å
1031T66.1Low79.2Confident44 Ų4429.4 Ų29.427%0.2716%0.158SC..SBendtrans-88.4149.4171.975.90000111.9G1034 G1036 L1037 Y1039T1031-G1034 PolarHBondContact O-N 3.43Å; T1031-G1036 PolarHBondContact O-N 3.47Å; T1031-L1037 PolarHBondContact N-O 3.02Å; T1031-L1037 PolarHBondContact OG1-N 3.46Å; T1031-Y1039 HydrophobicContact CG2-CE2 4.46Å
1032S51.1Low79Confident82 Ų8230.8 Ų30.857%0.57317%0.165SC*.G310 helixtrans50.265.3168.3-63.60000114.8G1034 K1035S1032-G1034 PolarHBondContact O-N 2.93Å; S1032-G1034 VanDerWaalsContact O-N 3.09Å; S1032-K1035 PolarHBondContact O-N 3.39Å
1033N52.2Low78.9Confident161 Ų16130.8 Ų30.886%0.86117%0.165SC*.G310 helixtrans5233175.9-57.517.9000113.6K1035N1033-K1035 PolarHBondContact O-N 3.37Å
1034G50.3Low78.7Confident3 Ų331.8 Ų31.83%0.03117%0.17CC..G310 helixtrans805.8178.900000115.8T1031 S1032T1031-G1034 PolarHBondContact O-N 3.43Å; S1032-G1034 PolarHBondContact O-N 2.93Å; S1032-G1034 VanDerWaalsContact O-N 3.09Å
1035K50.7Low78.8Confident133 Ų13332.4 Ų32.458%0.57817%0.173SC*.THydrogen-bonded Turntrans-105.92.1179.7-68.1-171.3175.8-172.60114.7Q160 E1001 S1032 N1033Q160-K1035 PolarHBondContact NE2-O 2.9Å; E1001-K1035 HydrophobicContact CB-CG 4.39Å; E1001-K1035 HydrophobicContact CG-CG 4.01Å; S1032-K1035 PolarHBondContact O-N 3.39Å; N1033-K1035 PolarHBondContact O-N 3.37Å
1036G62.9Low78.9Confident7 Ų731.4 Ų31.47%0.07217%0.168CC..SBendtrans-99-119.717600000112.7A954 T1031A954-G1036 WeakPolarHBondContact CA-O 3.13Å; T1031-G1036 PolarHBondContact O-N 3.47Å
1037L72.3Confident78.9Confident4 Ų431.4 Ų31.42%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-104.7148.1178.6-49-177.2000109.9G157 L159 F957 T1031 Y1039G157-L1037 WeakPolarHBondContact O-CD1 3.37Å; L159-L1037 HydrophobicContact CD1-CD1 3.69Å; L159-L1037 HydrophobicContact CG-CD1 3.91Å; F957-L1037 HydrophobicContact CE2-CB 4.45Å; F957-L1037 HydrophobicContact CE2-CD1 4.35Å; F957-L1037 HydrophobicContact CE2-CD2 4.23Å; T1031-L1037 PolarHBondContact N-O 3.02Å; T1031-L1037 PolarHBondContact OG1-N 3.46Å; L1037-Y1039 HydrophobicContact CB-CD2 4.47Å; L1037-Y1039 HydrophobicContact CB-CE2 3.88Å; L1037-Y1039 HydrophobicContact CD1-CE2 4.13Å; L1037-Y1039 VanDerWaalsContact CD1-OH 3.32Å; L1037-Y1039 WeakPolarHBondContact CD1-OH 3.3Å
1038T80.8Confident78.9Confident6 Ų633.5 Ų33.54%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-121.4116.3175.3-59.50000109.5Q955 I956 F957 L989 A1002 W1029 T1030 L1040Q955-T1038 PolarHBondContact O-N 3.37Å; I956-T1038 CarbonylContact C-O 3.5Å; I956-T1038 WeakPolarHBondContact CA-O 3.29Å; I956-T1038 HydrophobicContact CG2-CG2 4.41Å; F957-T1038 PolarHBondContact N-O 2.85Å; L989-T1038 HydrophobicContact CD1-CG2 3.95Å; A1002-T1038 HydrophobicContact CB-CG2 4.35Å; A1002-T1038 WeakPolarHBondContact CB-OG1 3.4Å; W1029-T1038 CarbonylContact O-C 3.47Å; W1029-T1038 WeakPolarHBondContact O-CA 3.38Å; T1030-T1038 HydrophobicContact CG2-CG2 4.06Å; T1038-L1040 HydrophobicContact CG2-CD2 3.6Å; T1038-L1040 HydrophobicContact CG2-CG 4.03Å
1039Y85.3Confident78.8Confident35 Ų3539.1 Ų39.114%0.13720%0.203CC..EExtended strand (participates in β ladder)trans-102.9115.5178.3-65.6-85.5000109.6F957 M982 G1028 W1029 T1031 L1037F957-Y1039 HydrophobicContact CB-CD1 3.91Å; F957-Y1039 HydrophobicContact CB-CE1 4.25Å; F957-Y1039 HydrophobicContact CD2-CD1 4.15Å; F957-Y1039 AromaticContact CD2-CE1 3.82Å; F957-Y1039 HydrophobicContact CD2-CE1 3.82Å; F957-Y1039 HydrophobicContact CG-CD1 4.41Å; F957-Y1039 HydrophobicContact CG-CE1 4.28Å; F957-Y1039 CarbonylContact O-C 3.58Å; F957-Y1039 WeakPolarHBondContact O-CA 3.5Å; M982-Y1039 HydrophobicContact CE-CD1 4.06Å; M982-Y1039 HydrophobicContact CE-CD2 3.65Å; M982-Y1039 HydrophobicContact CE-CE2 4.14Å; M982-Y1039 HydrophobicContact CE-CG 3.59Å; G1028-Y1039 CarbonylContact C-O 3.56Å; G1028-Y1039 VanDerWaalsContact CA-O 3.27Å; G1028-Y1039 WeakPolarHBondContact CA-O 3.36Å; W1029-Y1039 PolarHBondContact N-O 2.8Å; W1029-Y1039 PolarHBondContact O-N 2.9Å; T1031-Y1039 HydrophobicContact CG2-CE2 4.46Å; L1037-Y1039 HydrophobicContact CB-CD2 4.47Å; L1037-Y1039 HydrophobicContact CB-CE2 3.88Å; L1037-Y1039 HydrophobicContact CD1-CE2 4.13Å; L1037-Y1039 VanDerWaalsContact CD1-OH 3.32Å; L1037-Y1039 WeakPolarHBondContact CD1-OH 3.3Å
1040L91.6Very high78.6Confident1 Ų140.7 Ų40.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-107.8151.9-176.4-56.8-178000112I956 F957 Y958 I959 L989 L1026 Q1027 T1038I956-L1040 HydrophobicContact CG2-CD1 3.45Å; I956-L1040 VanDerWaalsContact CG2-CD1 3.45Å; I956-L1040 HydrophobicContact CG2-CG 3.82Å; F957-L1040 PolarHBondContact O-N 3.48Å; Y958-L1040 WeakPolarHBondContact CA-O 3.13Å; Y958-L1040 HydrophobicContact CD1-CB 3.73Å; Y958-L1040 WeakPolarHBondContact CD1-O 3.11Å; Y958-L1040 HydrophobicContact CE1-CB 3.38Å; Y958-L1040 HydrophobicContact CE1-CD1 4.27Å; Y958-L1040 HydrophobicContact CE1-CG 4.48Å; Y958-L1040 HydrophobicContact CE2-CB 4.22Å; Y958-L1040 HydrophobicContact CE2-CD1 3.89Å; Y958-L1040 HydrophobicContact CG-CB 4.28Å; Y958-L1040 WeakPolarHBondContact OH-CD1 3.3Å; I959-L1040 WeakPolarHBondContact CG1-O 3.43Å; I959-L1040 PolarHBondContact N-O 3.33Å; L989-L1040 HydrophobicContact CD1-CD2 4.18Å; L1026-L1040 HydrophobicContact CB-CD1 4.09Å; L1026-L1040 HydrophobicContact CD2-CD1 4.21Å; Q1027-L1040 VanDerWaalsContact O-CA 3.24Å; Q1027-L1040 WeakPolarHBondContact O-CA 3.41Å; Q1027-L1040 WeakPolarHBondContact O-CD2 3.36Å; T1038-L1040 HydrophobicContact CG2-CD2 3.6Å; T1038-L1040 HydrophobicContact CG2-CG 4.03Å
1041T91.6Very high79Confident3 Ų344.4 Ų44.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-139.8168.4174.3179.10000109.9K915 E979 F986 Q1027 W1029K915-T1041 PolarHBondContact NZ-OG1 3.42Å; K915-T1041 VanDerWaalsContact NZ-OG1 3.09Å; E979-T1041 VanDerWaalsContact CD-OG1 3.24Å; E979-T1041 PolarHBondContact OE1-OG1 3.25Å; E979-T1041 VanDerWaalsContact OE1-OG1 3.05Å; E979-T1041 PolarHBondContact OE2-OG1 3.37Å; F986-T1041 HydrophobicContact CE2-CG2 3.92Å; F986-T1041 HydrophobicContact CZ-CG2 4.49Å; Q1027-T1041 WeakPolarHBondContact CG-O 3.47Å; Q1027-T1041 PolarHBondContact O-N 3.08Å; W1029-T1041 HydrophobicContact CH2-CG2 4.09Å; W1029-T1041 HydrophobicContact CZ3-CG2 3.7Å
1042D90.5Very high79.7Confident39 Ų3947.6 Ų47.621%0.20926%0.261CS..SBendtrans45.153.4173.6-71.3-37.4000114.5R895 K915 Q1027R895-D1042 IonicContact CZ-OD1 3.05Å; R895-D1042 IonicContact NH1-OD1 2.73Å; R895-D1042 IonicContact NH2-OD1 3.33Å; R895-D1042 PolarHBondContact NH2-OD1 3.06Å; R895-D1042 IonicContact NH2-OD2 3.23Å; R895-D1042 PolarHBondContact NH2-OD2 3.33Å; K915-D1042 IonicContact NZ-OD1 3.11Å; K915-D1042 PolarHBondContact NZ-OD1 3.03Å; K915-D1042 VanDerWaalsContact NZ-OD1 3.15Å; K915-D1042 IonicContact NZ-OD2 2.77Å; K915-D1042 PolarHBondContact NZ-OD2 3Å; Q1027-D1042 PolarHBondContact NE2-O 3.09Å
1043P94.4Very high81Confident1 Ų145.2 Ų45.21%0.00625%0.25CC..  trans-65.6158.4176.626.9-32.2000111.7R932 Q933 A936 Y958 V1023R932-P1043 WeakPolarHBondContact CD-O 3.34Å; R932-P1043 PolarHBondContact NE-O 3.29Å; Q933-P1043 HydrophobicContact CB-CG 4.31Å; Q933-P1043 HydrophobicContact CG-CG 4.47Å; A936-P1043 HydrophobicContact CB-CB 4.01Å; A936-P1043 HydrophobicContact CB-CG 3.66Å; Y958-P1043 HydrophobicContact CD1-CB 4.45Å; Y958-P1043 HydrophobicContact CD1-CG 4.03Å; Y958-P1043 HydrophobicContact CE1-CB 3.57Å; Y958-P1043 HydrophobicContact CE1-CG 3.62Å; V1023-P1043 HydrophobicContact CG1-CB 3.91Å
1044Q93.1Very high82Confident21 Ų2141.6 Ų41.610%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-106.7146.5156.6-177.155.455.200109.5N992 V1024 D1025 S1055N992-Q1044 HydrophobicContact CB-CB 4.17Å; N992-Q1044 HydrophobicContact CB-CG 4.16Å; V1024-Q1044 HydrophobicContact CG2-CB 4.14Å; V1024-Q1044 HydrophobicContact CG2-CG 4.38Å; V1024-Q1044 PolarHBondContact N-O 3.34Å; V1024-Q1044 PolarHBondContact O-N 3.02Å; D1025-Q1044 HydrophobicContact CB-CB 3.85Å; Q1044-S1055 VanDerWaalsContact CD-O 3.23Å; Q1044-S1055 VanDerWaalsContact CG-O 3.27Å; Q1044-S1055 WeakPolarHBondContact CG-O 3.39Å; Q1044-S1055 PolarHBondContact NE2-O 3.38Å; Q1044-S1055 PolarHBondContact OE1-OG 3.13Å
1045I94.8Very high83.3Confident15 Ų1543.5 Ų43.58%0.07725%0.247CC..EExtended strand (participates in β ladder)trans-118.9125.4171.7-57.7-178.6000107.7R932 T935 E1021 V1022 V1023R932-I1045 HydrophobicContact CG-CD1 4.08Å; R932-I1045 HydrophobicContact CG-CG1 3.96Å; T935-I1045 HydrophobicContact CG2-CD1 3.72Å; E1021-I1045 HydrophobicContact CB-CG2 4.14Å; V1022-I1045 WeakPolarHBondContact O-CA 3.5Å; V1023-I1045 HydrophobicContact CG2-CD1 4.42Å; V1023-I1045 HydrophobicContact CG2-CG1 4.23Å
1046H94.8Very high85.1Confident1 Ų137.7 Ų37.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-88.4125.2164.1-67.3-44.3000107.7N992 E1021 V1022 S1055 N1056 F1057 G1061N992-H1046 PolarHBondContact O-CE1 2.86Å; N992-H1046 PolarHBondContact O-NE2 3.27Å; E1021-H1046 CarbonylContact C-O 3.46Å; E1021-H1046 VanDerWaalsContact CA-O 3.24Å; E1021-H1046 WeakPolarHBondContact CA-O 3.34Å; V1022-H1046 HydrophobicContact CG1-CB 3.99Å; V1022-H1046 PolarHBondContact N-O 2.85Å; V1022-H1046 PolarHBondContact O-N 2.68Å; H1046-S1055 PolarHBondContact CE1-O 3.46Å; H1046-S1055 PolarHBondContact ND1-O 3.46Å; H1046-N1056 WeakPolarHBondContact CA-OD1 3.23Å; H1046-F1057 AromaticContact CE1-CD1 3.92Å; H1046-F1057 AromaticContact CE1-CD2 2.7Å; H1046-F1057 WeakPolarHBondContact CE1-CD2 3.35Å; H1046-F1057 AromaticContact CE1-CE2 3.04Å; H1046-F1057 WeakPolarHBondContact CE1-CE2 3.48Å; H1046-F1057 AromaticContact CE1-CG 3.2Å; H1046-F1057 WeakPolarHBondContact CE1-CG 3.31Å; H1046-F1057 AromaticContact CE1-CZ 3.79Å; H1046-F1057 PolarHBondContact ND1-N 3.43Å; H1046-F1057 AromaticContact NE2-CD2 3.63Å; H1046-F1057 AromaticContact NE2-CE2 4Å; H1046-G1061 VanDerWaalsContact CD2-CA 3.43Å; H1046-G1061 WeakPolarHBondContact CD2-CA 3.29Å
1047S93.4Very high86.4Confident2 Ų240.2 Ų40.21%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-144.6131.9-169.4172.40000111.1Q1020 E1021 R1049 T1050 N1056Q1020-S1047 WeakPolarHBondContact O-CA 3.47Å; E1021-S1047 WeakPolarHBondContact OE1-CB 3.3Å; E1021-S1047 PolarHBondContact OE1-OG 2.87Å; S1047-R1049 VanDerWaalsContact C-N 3.35Å; S1047-R1049 WeakPolarHBondContact OG-CB 3.32Å; S1047-R1049 PolarHBondContact OG-N 3.1Å; S1047-R1049 VanDerWaalsContact OG-N 3.15Å; S1047-T1050 PolarHBondContact OG-OG1 3.44Å; S1047-N1056 PolarHBondContact N-OD1 3.35Å; S1047-N1056 PolarHBondContact O-ND2 2.93Å; S1047-N1056 PolarHBondContact O-OD1 2.91Å
1048T92.8Very high87.3Confident66 Ų6640.1 Ų40.141%0.40523%0.232SC..SBendtrans-87.4-4.9168.955.30000113Q1020 T1050 E1059 L1062Q1020-T1048 PolarHBondContact O-N 2.92Å; Q1020-T1048 PolarHBondContact O-OG1 3.5Å; T1048-T1050 VanDerWaalsContact C-N 3.35Å; T1048-E1059 HydrophobicContact CG2-CB 4.25Å; T1048-L1062 HydrophobicContact CG2-CD1 3.7Å
1049R86.7Confident87.8Confident121 Ų12144.2 Ų44.246%0.45725%0.251SS..SBendtrans-79.5-19.4174.5-59-176.4169.5144.4-3.2113.1Y939 S1017 Q1020 E1021 S1047Y939-R1049 PolarHBondContact OH-NH1 3.45Å; S1017-R1049 PolarHBondContact O-NH2 3.09Å; Q1020-R1049 HydrophobicContact CB-CG 4.11Å; Q1020-R1049 VanDerWaalsContact OE1-CZ 3.24Å; E1021-R1049 HydrophobicContact CG-CG 4.3Å; E1021-R1049 IonicContact OE2-CZ 3.8Å; E1021-R1049 IonicContact OE2-NH1 2.8Å; E1021-R1049 PolarHBondContact OE2-NH1 2.64Å; S1047-R1049 VanDerWaalsContact C-N 3.35Å; S1047-R1049 WeakPolarHBondContact OG-CB 3.32Å; S1047-R1049 PolarHBondContact OG-N 3.1Å; S1047-R1049 VanDerWaalsContact OG-N 3.15Å
1050T81.9Confident88.1Confident71 Ų7151.6 Ų51.644%0.43628%0.278SS..SBendtrans-122.1153.5-177.555.10000110S1047 T1048 N1056S1047-T1050 PolarHBondContact OG-OG1 3.44Å; T1048-T1050 VanDerWaalsContact C-N 3.35Å; T1050-N1056 PolarHBondContact O-ND2 2.9Å; T1050-N1056 PolarHBondContact OG1-ND2 2.87Å
1051P81.1Confident88.2Confident117 Ų11751.6 Ų51.676%0.7628%0.278SS*.  trans-55.1142.8177.9-26.535.4000112.3N1056P1051-N1056 PolarHBondContact O-ND2 2.99Å
1052T82.2Confident88.3Confident110 Ų11051.4 Ų51.468%0.67528%0.277SS*.  trans-59.9143.8168.445.80000110.3N1056T1052-N1056 WeakPolarHBondContact CA-O 3.29Å
1053G76.6Confident88.4Confident33 Ų3350.6 Ų50.634%0.3428%0.276SS..  trans-155.1-175.6179.400000111.4S1055 N1056G1053-S1055 PolarHBondContact O-N 2.64Å; G1053-N1056 PolarHBondContact N-O 3.22Å; G1053-N1056 CarbonylContact O-C 3.51Å; G1053-N1056 PolarHBondContact O-N 3.47Å
1054P74.4Confident88.3Confident84 Ų8451.6 Ų51.655%0.54528%0.281SS..SBendtrans-69.4-6.4-171.329.3-36.9000114.5Y779 F1057Y779-P1054 HydrophobicContact CD1-CB 4.47Å; Y779-P1054 HydrophobicContact CD1-CG 4.25Å; Y779-P1054 HydrophobicContact CE1-CB 3.64Å; Y779-P1054 HydrophobicContact CE1-CG 3.48Å; Y779-P1054 VanDerWaalsContact CE1-CG 3.48Å; Y779-P1054 HydrophobicContact CE2-CB 4.46Å; P1054-F1057 WeakPolarHBondContact O-CE1 3.4Å
1055S78Confident88.3Confident43 Ų4350.7 Ų50.730%0.30128%0.277SS..SBendtrans-127.2-18.5168.872.90000115.2Q1044 H1046 G1053Q1044-S1055 VanDerWaalsContact CD-O 3.23Å; Q1044-S1055 VanDerWaalsContact CG-O 3.27Å; Q1044-S1055 WeakPolarHBondContact CG-O 3.39Å; Q1044-S1055 PolarHBondContact NE2-O 3.38Å; Q1044-S1055 PolarHBondContact OE1-OG 3.13Å; H1046-S1055 PolarHBondContact CE1-O 3.46Å; H1046-S1055 PolarHBondContact ND1-O 3.46Å; G1053-S1055 PolarHBondContact O-N 2.64Å
1056N87.9Confident88.2Confident12 Ų1252.9 Ų52.96%0.06428%0.284CS..  trans-95.5102.3168.5173.724.9000109.5H1046 S1047 T1050 P1051 T1052 G1053 G1058H1046-N1056 WeakPolarHBondContact CA-OD1 3.23Å; S1047-N1056 PolarHBondContact N-OD1 3.35Å; S1047-N1056 PolarHBondContact O-ND2 2.93Å; S1047-N1056 PolarHBondContact O-OD1 2.91Å; T1050-N1056 PolarHBondContact O-ND2 2.9Å; T1050-N1056 PolarHBondContact OG1-ND2 2.87Å; P1051-N1056 PolarHBondContact O-ND2 2.99Å; T1052-N1056 WeakPolarHBondContact CA-O 3.29Å; G1053-N1056 PolarHBondContact N-O 3.22Å; G1053-N1056 CarbonylContact O-C 3.51Å; G1053-N1056 PolarHBondContact O-N 3.47Å; N1056-G1058 VanDerWaalsContact C-N 3.25Å; N1056-G1058 PolarHBondContact O-N 3.37Å; N1056-G1058 PolarHBondContact OD1-N 2.9Å
1057F89.1Confident87.9Confident60 Ų6059.8 Ų59.826%0.26331%0.314SS..  trans-85.48180-51.7-39.1000113.4T993 H1046 P1054 E1059 R1060 G1061T993-F1057 HydrophobicContact CG2-CE2 3.9Å; H1046-F1057 AromaticContact CE1-CD1 3.92Å; H1046-F1057 AromaticContact CE1-CD2 2.7Å; H1046-F1057 WeakPolarHBondContact CE1-CD2 3.35Å; H1046-F1057 AromaticContact CE1-CE2 3.04Å; H1046-F1057 WeakPolarHBondContact CE1-CE2 3.48Å; H1046-F1057 AromaticContact CE1-CG 3.2Å; H1046-F1057 WeakPolarHBondContact CE1-CG 3.31Å; H1046-F1057 AromaticContact CE1-CZ 3.79Å; H1046-F1057 PolarHBondContact ND1-N 3.43Å; H1046-F1057 AromaticContact NE2-CD2 3.63Å; H1046-F1057 AromaticContact NE2-CE2 4Å; P1054-F1057 WeakPolarHBondContact O-CE1 3.4Å; F1057-E1059 PolarHBondContact O-N 3.47Å; F1057-R1060 HydrophobicContact CB-CB 4.44Å; F1057-R1060 WeakPolarHBondContact O-CB 3.5Å; F1057-R1060 PolarHBondContact O-N 3.3Å; F1057-R1060 VanDerWaalsContact O-N 3.09Å; F1057-G1061 PolarHBondContact O-N 3.24Å; F1057-G1061 VanDerWaalsContact O-N 3.15Å
1058G91.3Very high87.7Confident2 Ų264.3 Ų64.32%0.02134%0.335CS..Hα-helixtrans53.8-133.5177.100000112.6N1056 R1060 G1061 L1062N1056-G1058 VanDerWaalsContact C-N 3.25Å; N1056-G1058 PolarHBondContact O-N 3.37Å; N1056-G1058 PolarHBondContact OD1-N 2.9Å; G1058-R1060 VanDerWaalsContact C-N 3.26Å; G1058-R1060 PolarHBondContact O-N 2.7Å; G1058-G1061 WeakPolarHBondContact O-CA 3.26Å; G1058-G1061 PolarHBondContact O-N 3.37Å; G1058-L1062 PolarHBondContact O-N 3.37Å
1059E92.4Very high87.5Confident92 Ų9261.3 Ų61.343%0.4332%0.316SS..Hα-helixtrans-62.8-28.5178.5-170.555.1-134.600113.3T1048 F1057 G1061 L1062 A1063 R1066T1048-E1059 HydrophobicContact CG2-CB 4.25Å; F1057-E1059 PolarHBondContact O-N 3.47Å; E1059-G1061 VanDerWaalsContact C-N 3.32Å; E1059-L1062 PolarHBondContact O-N 2.71Å; E1059-L1062 WeakPolarHBondContact OE2-CD1 3.36Å; E1059-A1063 VanDerWaalsContact O-CB 3.23Å; E1059-A1063 WeakPolarHBondContact O-CB 3.24Å; E1059-A1063 PolarHBondContact O-N 3.49Å; E1059-R1066 IonicContact OE1-CZ 3.23Å; E1059-R1066 VanDerWaalsContact OE1-CZ 3.23Å; E1059-R1066 IonicContact OE1-NH1 2.81Å; E1059-R1066 PolarHBondContact OE1-NH1 3.48Å; E1059-R1066 IonicContact OE1-NH2 2.7Å; E1059-R1066 PolarHBondContact OE1-NH2 3.35Å
1060R92.2Very high87.7Confident190 Ų19056.3 Ų56.372%0.71730%0.298SS*.Hα-helixtrans-64.1-41.1171.4-179.1-179.6176.4-179.20.2110.5F1057 G1058 A1063 I1064F1057-R1060 HydrophobicContact CB-CB 4.44Å; F1057-R1060 WeakPolarHBondContact O-CB 3.5Å; F1057-R1060 PolarHBondContact O-N 3.3Å; F1057-R1060 VanDerWaalsContact O-N 3.09Å; G1058-R1060 VanDerWaalsContact C-N 3.26Å; G1058-R1060 PolarHBondContact O-N 2.7Å; R1060-A1063 PolarHBondContact O-N 2.94Å; R1060-I1064 HydrophobicContact CG-CD1 3.91Å; R1060-I1064 WeakPolarHBondContact O-CB 3.4Å; R1060-I1064 WeakPolarHBondContact O-CD1 3.39Å; R1060-I1064 WeakPolarHBondContact O-CG1 3.23Å; R1060-I1064 PolarHBondContact O-N 3.44Å
1061G92.7Very high88Confident0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-65-44.4175.300000113H1046 F1057 G1058 E1059 A1063 I1064 F1065H1046-G1061 VanDerWaalsContact CD2-CA 3.43Å; H1046-G1061 WeakPolarHBondContact CD2-CA 3.29Å; F1057-G1061 PolarHBondContact O-N 3.24Å; F1057-G1061 VanDerWaalsContact O-N 3.15Å; G1058-G1061 WeakPolarHBondContact O-CA 3.26Å; G1058-G1061 PolarHBondContact O-N 3.37Å; E1059-G1061 VanDerWaalsContact C-N 3.32Å; G1061-A1063 VanDerWaalsContact C-N 3.34Å; G1061-A1063 PolarHBondContact O-N 2.91Å; G1061-I1064 PolarHBondContact O-N 3.24Å; G1061-F1065 PolarHBondContact O-N 2.97Å
1062L93.6Very high88.1Confident0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-61.3-42.3173.9-63.5167.4000111.3Y1014 V1022 T1048 G1058 E1059 F1065 R1066Y1014-L1062 HydrophobicContact CD2-CD2 3.78Å; Y1014-L1062 HydrophobicContact CE2-CB 4.39Å; Y1014-L1062 HydrophobicContact CE2-CD2 3.88Å; V1022-L1062 HydrophobicContact CB-CD2 3.94Å; V1022-L1062 HydrophobicContact CG1-CD2 3.57Å; T1048-L1062 HydrophobicContact CG2-CD1 3.7Å; G1058-L1062 PolarHBondContact O-N 3.37Å; E1059-L1062 PolarHBondContact O-N 2.71Å; E1059-L1062 WeakPolarHBondContact OE2-CD1 3.36Å; L1062-F1065 PolarHBondContact O-N 2.93Å; L1062-R1066 VanDerWaalsContact O-CG 3.31Å; L1062-R1066 WeakPolarHBondContact O-CG 3.35Å; L1062-R1066 PolarHBondContact O-N 3.35Å
1063A92.1Very high88.3Confident22 Ų2252.6 Ų52.618%0.18228%0.277CS..Hα-helixtrans-66.5-40.1177.400000113.2E1059 R1060 G1061 R1066 K1067E1059-A1063 VanDerWaalsContact O-CB 3.23Å; E1059-A1063 WeakPolarHBondContact O-CB 3.24Å; E1059-A1063 PolarHBondContact O-N 3.49Å; R1060-A1063 PolarHBondContact O-N 2.94Å; G1061-A1063 VanDerWaalsContact C-N 3.34Å; G1061-A1063 PolarHBondContact O-N 2.91Å; A1063-R1066 PolarHBondContact O-N 2.9Å; A1063-K1067 WeakPolarHBondContact O-CB 3.33Å; A1063-K1067 WeakPolarHBondContact O-CG 3.26Å; A1063-K1067 PolarHBondContact O-N 3.1Å
1064I92.5Very high89.1Confident21 Ų2152 Ų5211%0.10827%0.267CS..Hα-helixtrans-62.5-47.5174-72.4164.8000110.1T993 R1060 G1061 R1066 K1067 E1068T993-I1064 VanDerWaalsContact C-CG2 3.41Å; T993-I1064 WeakPolarHBondContact O-CG2 3.34Å; R1060-I1064 HydrophobicContact CG-CD1 3.91Å; R1060-I1064 WeakPolarHBondContact O-CB 3.4Å; R1060-I1064 WeakPolarHBondContact O-CD1 3.39Å; R1060-I1064 WeakPolarHBondContact O-CG1 3.23Å; R1060-I1064 PolarHBondContact O-N 3.44Å; G1061-I1064 PolarHBondContact O-N 3.24Å; I1064-R1066 VanDerWaalsContact C-N 3.35Å; I1064-R1066 PolarHBondContact O-N 3.43Å; I1064-K1067 PolarHBondContact O-N 2.75Å; I1064-E1068 HydrophobicContact CG2-CB 4.47Å; I1064-E1068 WeakPolarHBondContact O-CB 3.06Å; I1064-E1068 PolarHBondContact O-N 3.12Å
1065F93.4Very high90Very high3 Ų349.6 Ų49.61%0.01325%0.249CC..Iπ-helixtrans-55.1-49.8175.8171.8-94.6000111.8V1022 V1024 G1061 L1062 K1067 Q1069 H1070 L1086V1022-F1065 HydrophobicContact CG1-CB 4.11Å; V1022-F1065 HydrophobicContact CG1-CG 4.25Å; V1022-F1065 HydrophobicContact CG2-CD1 3.82Å; V1022-F1065 HydrophobicContact CG2-CD2 3.85Å; V1022-F1065 HydrophobicContact CG2-CE1 4.02Å; V1022-F1065 HydrophobicContact CG2-CE2 4.05Å; V1022-F1065 HydrophobicContact CG2-CG 3.75Å; V1022-F1065 HydrophobicContact CG2-CZ 4.15Å; V1024-F1065 HydrophobicContact CG1-CD2 3.96Å; G1061-F1065 PolarHBondContact O-N 2.97Å; L1062-F1065 PolarHBondContact O-N 2.93Å; F1065-K1067 PolarHBondContact O-N 2.96Å; F1065-Q1069 HydrophobicContact CD2-CB 3.96Å; F1065-Q1069 HydrophobicContact CE2-CB 4.35Å; F1065-Q1069 PolarHBondContact O-N 3.15Å; F1065-H1070 HydrophobicContact CD1-CB 4.5Å; F1065-H1070 HydrophobicContact CE1-CB 3.89Å; F1065-H1070 HydrophobicContact CE2-CB 4.34Å; F1065-H1070 HydrophobicContact CZ-CB 3.78Å; F1065-H1070 PolarHBondContact O-N 2.81Å; F1065-L1086 HydrophobicContact CE1-CD1 4.03Å
1066R92.5Very high90.6Very high61 Ų6152.5 Ų52.523%0.2326%0.258CS..Iπ-helixtrans-60.9-43.4179.9-69-174.9-51.8-106.46.6112.3Y1014 E1059 L1062 A1063 I1064 G1071 L1086Y1014-R1066 HydrophobicContact CE1-CG 4.46Å; Y1014-R1066 PolarHBondContact OH-NH1 3.18Å; Y1014-R1066 VanDerWaalsContact OH-NH1 3.08Å; E1059-R1066 IonicContact OE1-CZ 3.23Å; E1059-R1066 VanDerWaalsContact OE1-CZ 3.23Å; E1059-R1066 IonicContact OE1-NH1 2.81Å; E1059-R1066 PolarHBondContact OE1-NH1 3.48Å; E1059-R1066 IonicContact OE1-NH2 2.7Å; E1059-R1066 PolarHBondContact OE1-NH2 3.35Å; L1062-R1066 VanDerWaalsContact O-CG 3.31Å; L1062-R1066 WeakPolarHBondContact O-CG 3.35Å; L1062-R1066 PolarHBondContact O-N 3.35Å; A1063-R1066 PolarHBondContact O-N 2.9Å; I1064-R1066 VanDerWaalsContact C-N 3.35Å; I1064-R1066 PolarHBondContact O-N 3.43Å; R1066-G1071 CarbonylContact O-C 3.48Å; R1066-G1071 WeakPolarHBondContact O-CA 3.43Å; R1066-G1071 PolarHBondContact O-N 2.89Å; R1066-G1071 VanDerWaalsContact O-N 3.14Å; R1066-L1086 HydrophobicContact CG-CD1 4.37Å
1067K89.3Confident90.7Very high145 Ų14552.3 Ų52.363%0.6326%0.257SS*.Iπ-helixtrans-84.1-39.6-173.2-70.5179.3178.5-175.40114.4A1063 I1064 F1065A1063-K1067 WeakPolarHBondContact O-CB 3.33Å; A1063-K1067 WeakPolarHBondContact O-CG 3.26Å; A1063-K1067 PolarHBondContact O-N 3.1Å; I1064-K1067 PolarHBondContact O-N 2.75Å; F1065-K1067 PolarHBondContact O-N 2.96Å
1068E88.9Confident91Very high98 Ų9849.5 Ų49.546%0.45825%0.245SC..Iπ-helixtrans-110.6-50.4-165.4-63.8166.7-138.200112.2G994 K996 I1064G994-E1068 WeakPolarHBondContact CA-OE2 3.5Å; K996-E1068 PolarHBondContact NZ-O 3.29Å; I1064-E1068 HydrophobicContact CG2-CB 4.47Å; I1064-E1068 WeakPolarHBondContact O-CB 3.06Å; I1064-E1068 PolarHBondContact O-N 3.12Å
1069Q89.2Confident91Very high2 Ų253.8 Ų53.81%0.00927%0.267CS..Iπ-helixtrans-75.5-61.1-177.8-66.7-167.9-37.700111.9N991 T993 Q995 K996 L1007 F1065N991-Q1069 PolarHBondContact O-NE2 2.89Å; N991-Q1069 PolarHBondContact OD1-NE2 3.21Å; T993-Q1069 WeakPolarHBondContact O-CG 3.44Å; T993-Q1069 PolarHBondContact O-NE2 3.35Å; Q995-Q1069 PolarHBondContact O-NE2 2.75Å; K996-Q1069 VanDerWaalsContact CD-O 3.3Å; K996-Q1069 WeakPolarHBondContact CD-O 3.49Å; K996-Q1069 PolarHBondContact NZ-O 3.35Å; L1007-Q1069 HydrophobicContact CD2-CB 3.98Å; L1007-Q1069 WeakPolarHBondContact CD2-O 3.21Å; F1065-Q1069 HydrophobicContact CD2-CB 3.96Å; F1065-Q1069 HydrophobicContact CE2-CB 4.35Å; F1065-Q1069 PolarHBondContact O-N 3.15Å
1070H90.8Very high90.8Very high16 Ų1653 Ų537%0.07427%0.266CS..Iπ-helixtrans-70.1-53.2173.8179.8-84.1000110.7H1011 F1065 C1074H1011-H1070 AromaticContact CG-NE2 3.86Å; H1011-H1070 AromaticContact ND1-NE2 3.42Å; H1011-H1070 PolarHBondContact ND1-NE2 2.88Å; F1065-H1070 HydrophobicContact CD1-CB 4.5Å; F1065-H1070 HydrophobicContact CE1-CB 3.89Å; F1065-H1070 HydrophobicContact CE2-CB 4.34Å; F1065-H1070 HydrophobicContact CZ-CB 3.78Å; F1065-H1070 PolarHBondContact O-N 2.81Å; H1070-C1074 PolarHBondContact CE1-SG 3Å
1071G87.3Confident90.7Very high7 Ų744.8 Ų44.87%0.07224%0.236CC..  trans81.9-171.5-177.400000113.5R1066 T1073R1066-G1071 CarbonylContact O-C 3.48Å; R1066-G1071 WeakPolarHBondContact O-CA 3.43Å; R1066-G1071 PolarHBondContact O-N 2.89Å; R1066-G1071 VanDerWaalsContact O-N 3.14Å; G1071-T1073 VanDerWaalsContact C-N 3.32Å; G1071-T1073 PolarHBondContact O-N 3.38Å
1072P83.3Confident90.7Very high106 Ų10651.8 Ų51.869%0.68827%0.269SS*.SBendtrans-75.4-15.7-170.929.9-36000114.7
1073T87.8Confident90.7Very high108 Ų10852.8 Ų52.866%0.66327%0.274SS*.SBendtrans-127.1126.4-171.551.40000111.5G1071G1071-T1073 VanDerWaalsContact C-N 3.32Å; G1071-T1073 PolarHBondContact O-N 3.38Å
1074C93.3Very high90.7Very high21 Ų2155.9 Ų55.914%0.14229%0.29CS..  trans-66139.4175.8-67.50000112H1011 H1070 C1078 N1079H1011-C1074 PolarHBondContact CE1-SG 3.29Å; H1070-C1074 PolarHBondContact CE1-SG 3Å; C1074-C1078 HydrophobicContact CB-CB 3.67Å; C1074-N1079 VanDerWaalsContact CB-OD1 3.23Å; C1074-N1079 WeakPolarHBondContact CB-OD1 3.23Å; C1074-N1079 PolarHBondContact O-ND2 2.83Å; C1074-N1079 VanDerWaalsContact O-ND2 3.15Å
1075N92.4Very high90.6Very high32 Ų3258.4 Ų58.417%0.17131%0.309CS..  trans-81.9173.9-179.677.532.8000112.4K1004 I1077 C1078 N1079K1004-N1075 PolarHBondContact O-ND2 3.3Å; N1075-I1077 PolarHBondContact O-N 2.95Å; N1075-I1077 WeakPolarHBondContact OD1-CA 3.39Å; N1075-I1077 WeakPolarHBondContact OD1-CB 3.34Å; N1075-I1077 PolarHBondContact OD1-N 3.43Å; N1075-C1078 WeakPolarHBondContact O-CB 3.37Å; N1075-C1078 PolarHBondContact O-N 3.34Å; N1075-C1078 VanDerWaalsContact O-N 3.14Å; N1075-C1078 PolarHBondContact OD1-N 3.37Å; N1075-N1079 PolarHBondContact O-N 3.41Å; N1075-N1079 PolarHBondContact O-ND2 3.25Å
1076E90.7Very high90.2Very high105 Ų10559.4 Ų59.449%0.49131%0.314SS..Hα-helixtrans-53.3-35.6-179.163.4-139.5-123.100114.7K1004 L1080K1004-E1076 HydrophobicContact CD-CG 4.39Å; K1004-E1076 IonicContact NZ-OE1 3.8Å; K1004-E1076 PolarHBondContact NZ-OE1 3.42Å; K1004-E1076 IonicContact NZ-OE2 2.71Å; K1004-E1076 PolarHBondContact NZ-OE2 2.92Å; E1076-L1080 VanDerWaalsContact O-CB 3.29Å; E1076-L1080 WeakPolarHBondContact O-CB 3.45Å; E1076-L1080 PolarHBondContact O-N 3.49Å
1077I90.9Very high89Confident8 Ų860.9 Ų60.94%0.04133%0.329CS..Hα-helixtrans-77.1-40.9178.7-49.9-56.1000110.8L947 K1004 Y1005 A1008 N1075 N1079 L1080 L1081L947-I1077 HydrophobicContact CD2-CG2 4.14Å; K1004-I1077 HydrophobicContact CB-CG1 4.45Å; Y1005-I1077 HydrophobicContact CD1-CD1 4.34Å; Y1005-I1077 HydrophobicContact CD1-CG1 4.21Å; Y1005-I1077 HydrophobicContact CD1-CG2 4.12Å; Y1005-I1077 HydrophobicContact CD2-CG1 4.39Å; Y1005-I1077 HydrophobicContact CE1-CD1 3.74Å; Y1005-I1077 HydrophobicContact CE1-CG1 4.11Å; Y1005-I1077 HydrophobicContact CE1-CG2 4.32Å; Y1005-I1077 HydrophobicContact CE2-CD1 4.07Å; Y1005-I1077 HydrophobicContact CE2-CG1 4.29Å; Y1005-I1077 HydrophobicContact CG-CG1 4.34Å; A1008-I1077 HydrophobicContact CB-CB 3.74Å; A1008-I1077 HydrophobicContact CB-CG2 3.68Å; N1075-I1077 PolarHBondContact O-N 2.95Å; N1075-I1077 WeakPolarHBondContact OD1-CA 3.39Å; N1075-I1077 WeakPolarHBondContact OD1-CB 3.34Å; N1075-I1077 PolarHBondContact OD1-N 3.43Å; I1077-N1079 VanDerWaalsContact C-N 3.26Å; I1077-N1079 PolarHBondContact O-N 2.9Å; I1077-L1080 PolarHBondContact O-N 3.15Å; I1077-L1081 HydrophobicContact CG2-CD1 4.09Å; I1077-L1081 WeakPolarHBondContact O-CB 3.44Å; I1077-L1081 WeakPolarHBondContact O-CG 3.32Å; I1077-L1081 PolarHBondContact O-N 3.4Å
1078C93.9Very high87.3Confident0 Ų061.4 Ų61.40%034%0.338CS..Hα-helixtrans-56.7-42171.6-61.40000111.8A1008 H1011 C1074 N1075 E1082 L1083A1008-C1078 VanDerWaalsContact CA-SG 3.58Å; H1011-C1078 PolarHBondContact ND1-SG 3.14Å; C1074-C1078 HydrophobicContact CB-CB 3.67Å; N1075-C1078 WeakPolarHBondContact O-CB 3.37Å; N1075-C1078 PolarHBondContact O-N 3.34Å; N1075-C1078 VanDerWaalsContact O-N 3.14Å; N1075-C1078 PolarHBondContact OD1-N 3.37Å; C1078-E1082 PolarHBondContact O-N 3.14Å; C1078-L1083 HydrophobicContact CB-CD1 4.39Å; C1078-L1083 PolarHBondContact O-N 2.92Å
1079N92.8Very high85.1Confident92 Ų9263.6 Ų63.649%0.49235%0.349SS..Hα-helixtrans-73.7-38.5-178.3-61.6-30.2000111.7C1074 N1075 I1077 L1081 E1082C1074-N1079 VanDerWaalsContact CB-OD1 3.23Å; C1074-N1079 WeakPolarHBondContact CB-OD1 3.23Å; C1074-N1079 PolarHBondContact O-ND2 2.83Å; C1074-N1079 VanDerWaalsContact O-ND2 3.15Å; N1075-N1079 PolarHBondContact O-N 3.41Å; N1075-N1079 PolarHBondContact O-ND2 3.25Å; I1077-N1079 VanDerWaalsContact C-N 3.26Å; I1077-N1079 PolarHBondContact O-N 2.9Å; N1079-L1081 VanDerWaalsContact C-N 3.3Å; N1079-L1081 PolarHBondContact O-N 2.85Å; N1079-E1082 PolarHBondContact O-N 3.22Å; N1079-E1082 VanDerWaalsContact O-N 3.09Å
1080L88.4Confident82.5Confident76 Ų7667.9 Ų67.940%0.39838%0.379SS..Hα-helixtrans-64.7-33.2174.5179.361.4000113K950 V952 E1076 I1077 E1082K950-L1080 HydrophobicContact CB-CG 4.5Å; K950-L1080 VanDerWaalsContact CE-O 3.27Å; K950-L1080 WeakPolarHBondContact CE-O 3.15Å; V952-L1080 HydrophobicContact CG2-CD2 3.58Å; E1076-L1080 VanDerWaalsContact O-CB 3.29Å; E1076-L1080 WeakPolarHBondContact O-CB 3.45Å; E1076-L1080 PolarHBondContact O-N 3.49Å; I1077-L1080 PolarHBondContact O-N 3.15Å; L1080-E1082 VanDerWaalsContact C-N 3.29Å
1081L88.8Confident79.8Confident18 Ų1876.5 Ų76.59%0.09442%0.419CS..THydrogen-bonded Turntrans-84.84.3173-69.8173000113.5F943 S946 L947 K950 I1077 N1079 L1083F943-L1081 HydrophobicContact CD2-CD1 4.06Å; F943-L1081 HydrophobicContact CE2-CD1 3.36Å; F943-L1081 HydrophobicContact CZ-CD1 4.04Å; S946-L1081 VanDerWaalsContact O-CD2 3.31Å; S946-L1081 WeakPolarHBondContact O-CD2 3.37Å; L947-L1081 HydrophobicContact CD2-CD1 4.02Å; L947-L1081 HydrophobicContact CD2-CD2 4.14Å; L947-L1081 HydrophobicContact CD2-CG 4.32Å; L947-L1081 HydrophobicContact CG-CD2 4.48Å; K950-L1081 HydrophobicContact CG-CD2 4.15Å; I1077-L1081 HydrophobicContact CG2-CD1 4.09Å; I1077-L1081 WeakPolarHBondContact O-CB 3.44Å; I1077-L1081 WeakPolarHBondContact O-CG 3.32Å; I1077-L1081 PolarHBondContact O-N 3.4Å; N1079-L1081 VanDerWaalsContact C-N 3.3Å; N1079-L1081 PolarHBondContact O-N 2.85Å; L1081-L1083 HydrophobicContact CB-CD1 4.38Å; L1081-L1083 HydrophobicContact CB-CD2 4Å; L1081-L1083 HydrophobicContact CB-CG 3.8Å; L1081-L1083 PolarHBondContact O-N 3.02Å; L1081-L1083 VanDerWaalsContact O-N 3.14Å
1082E93.4Very high77Confident147 Ų14786 Ų8669%0.68748%0.475SS*.THydrogen-bonded Turntrans54.630178.5-64.4168.3-12400114.1K950 C1078 N1079 L1080 T1084K950-E1082 IonicContact NZ-OE1 2.71Å; K950-E1082 PolarHBondContact NZ-OE1 3.33Å; C1078-E1082 PolarHBondContact O-N 3.14Å; N1079-E1082 PolarHBondContact O-N 3.22Å; N1079-E1082 VanDerWaalsContact O-N 3.09Å; L1080-E1082 VanDerWaalsContact C-N 3.29Å; E1082-T1084 PolarHBondContact O-N 3.08Å
1083L93.1Very high76.7Confident21 Ų2185 Ų8511%0.1146%0.464CS..PPolyproline II helixtrans-69.7127.3-174.3-58.5-175.9000112.1H1011 F1012 L1015 C1078 L1081 P1085H1011-L1083 HydrophobicContact CB-CD1 4.11Å; H1011-L1083 WeakPolarHBondContact CE1-CB 3.45Å; F1012-L1083 HydrophobicContact CB-CD1 4.16Å; F1012-L1083 HydrophobicContact CD2-CD2 4.16Å; L1015-L1083 HydrophobicContact CD1-CB 4.03Å; L1015-L1083 HydrophobicContact CD1-CD2 4.48Å; C1078-L1083 HydrophobicContact CB-CD1 4.39Å; C1078-L1083 PolarHBondContact O-N 2.92Å; L1081-L1083 HydrophobicContact CB-CD1 4.38Å; L1081-L1083 HydrophobicContact CB-CD2 4Å; L1081-L1083 HydrophobicContact CB-CG 3.8Å; L1081-L1083 PolarHBondContact O-N 3.02Å; L1081-L1083 VanDerWaalsContact O-N 3.14Å; L1083-P1085 WeakPolarHBondContact O-CD 3.26Å
1084T93.1Very high76.1Confident86 Ų8683.7 Ų83.753%0.52845%0.454SS..PPolyproline II helixtrans-50.2119.3178.2-52.10000112.1H1011 E1082H1011-T1084 PolarHBondContact NE2-O 3.23Å; E1082-T1084 PolarHBondContact O-N 3.08Å
1085P89Confident75.2Confident75 Ų7587.2 Ų87.249%0.48747%0.471SS..PPolyproline II helixtrans-57.4143.6-176-29.336.4000114.6L1083 T1087L1083-P1085 WeakPolarHBondContact O-CD 3.26Å; P1085-T1087 VanDerWaalsContact C-N 3.29Å; P1085-T1087 PolarHBondContact O-N 2.77Å
1086L85.4Confident74.2Confident24 Ų2490.5 Ų90.513%0.12649%0.489CS..  trans-89.817.4-177.2-55.3-173.8000114H1011 Y1014 L1015 F1065 R1066H1011-L1086 HydrophobicContact CB-CD1 4.48Å; Y1014-L1086 HydrophobicContact CD1-CD1 4.19Å; Y1014-L1086 HydrophobicContact CD1-CD2 3.68Å; Y1014-L1086 HydrophobicContact CE1-CD2 3.94Å; L1015-L1086 HydrophobicContact CD2-CD2 4.04Å; F1065-L1086 HydrophobicContact CE1-CD1 4.03Å; R1066-L1086 HydrophobicContact CG-CD1 4.37Å
1087T67.9Low73.1Confident91 Ų9189.6 Ų89.656%0.55849%0.489SS*.  trans-52.4141174.344.20000111P1085 Q1089P1085-T1087 VanDerWaalsContact C-N 3.29Å; P1085-T1087 PolarHBondContact O-N 2.77Å; T1087-Q1089 PolarHBondContact O-N 3.06Å
1088L53.9Low72Confident156 Ų15695 Ų9582%0.81752%0.518SS*.  trans-53.9114.9-176.6-79.681.9000110.7S1090L1088-S1090 VanDerWaalsContact C-N 3.33Å; L1088-S1090 PolarHBondContact O-N 3.22Å
1089Q42.7Very low70.4Confident144 Ų144101.8 Ų101.867%0.67356%0.555SS**  trans-67.8101.7152-68.7-174.3-68.200106.4T1087 H1091T1087-Q1089 PolarHBondContact O-N 3.06Å; Q1089-H1091 PolarHBondContact O-N 2.88Å
1090S34.4Very low68.7Low93 Ų93102.5 Ų102.565%0.6556%0.56SS**  trans-50.3130.4157.2510000108.1L1088 V1092L1088-S1090 VanDerWaalsContact C-N 3.33Å; L1088-S1090 PolarHBondContact O-N 3.22Å; S1090-V1092 PolarHBondContact O-N 2.74Å
1091H32.5Very low67Low196 Ų196104.8 Ų104.891%0.90757%0.574SS**  trans-56.5137.3174.1-73.9-90.3000110.2Q1089Q1089-H1091 PolarHBondContact O-N 2.88Å
1092V30Very low65Low206 Ų206112.6 Ų112.6100%1.24862%0.617SS**  trans-126.70168.7-177.30000106.2S1090S1090-V1092 PolarHBondContact O-N 2.74Å

Retrieved 1,092 of 1,092 residues in 2030.2 ms (Link to these results)

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