G7P1A9_MACFA Loading...

Asparagine synthetase [glutamine-hydrolyzing]

AlphaFold DB , UniProt , Accession G7P1A9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ASNS, Length 561 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
1M88.2Confident95.3Very high1 Ų18.9 Ų8.91%0.0055%0.05CC..  01540-75.1-175-92.800107.9R27 G28 R143 D406 T409 A410 L414 E415 L416M1-R27 CarbonylContact C-O 3.6Å; M1-R27 PolarHBondContact N-O 3.42Å; M1-R27 CarbonylContact O-C 3.6Å; M1-R27 VanDerWaalsContact O-CA 3.32Å; M1-R27 WeakPolarHBondContact O-CA 3.28Å; M1-R27 WeakPolarHBondContact O-CB 3.43Å; M1-G28 PolarHBondContact O-N 3.15Å; M1-R143 PolarHBondContact SD-NH1 3.48Å; M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.93Å; M1-D406 WeakPolarHBondContact CE-O 3.26Å; M1-D406 WeakPolarHBondContact CE-OD2 3Å; M1-T409 WeakPolarHBondContact CE-OG1 3.45Å; M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.77Å; M1-L414 WeakPolarHBondContact CG-O 3.06Å; M1-L414 PolarHBondContact N-O 2.98Å; M1-E415 HydrophobicContact CG-CB 4.1Å; M1-E415 HydrophobicContact CG-CG 4.06Å; M1-L416 HydrophobicContact CE-CB 3.91Å; M1-L416 HydrophobicContact SD-CB 4.29Å
2C98.1Very high93.1Very high15 Ų1513.8 Ų13.810%0.1018%0.076CC..  trans-70.5160.8-180-62.70000112.6R27 F47 H48 L50 N75C2-R27 PolarHBondContact O-NE 2.88Å; C2-F47 HydrophobicContact CB-CE1 4.41Å; C2-F47 HydrophobicContact CB-CE2 3.58Å; C2-F47 HydrophobicContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact SG-CZ 3.54Å; C2-H48 CarbonylContact C-O 3.52Å; C2-H48 WeakPolarHBondContact CA-O 3.3Å; C2-H48 WeakPolarHBondContact CB-O 3.23Å; C2-L50 PolarHBondContact SG-N 2.98Å; C2-L50 PolarHBondContact SG-O 2.93Å; C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3Å; C2-N75 PolarHBondContact O-ND2 3.47Å; C2-N75 PolarHBondContact O-OD1 3.47Å
3G98.8Very high90.8Very high0 Ų019.2 Ų19.20%011%0.114CC..EExtended strand (participates in β ladder)trans-113.4115.3170.100000110.1F47 H48G3-F47 WeakPolarHBondContact O-CA 3.37Å; G3-F47 WeakPolarHBondContact O-CD2 3.38Å; G3-H48 PolarHBondContact N-O 3.06Å; G3-H48 PolarHBondContact O-N 2.58Å
4I98.8Very high89.5Confident1 Ų119.9 Ų19.91%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-97138.5172.258.1162000110.1I24 F47 C73 N75 A122 L145 C158 S159I4-I24 WeakPolarHBondContact O-CD1 3.38Å; I4-F47 HydrophobicContact CG2-CD2 3.77Å; I4-F47 HydrophobicContact CG2-CE2 3.72Å; I4-C73 HydrophobicContact CB-CB 4.49Å; I4-C73 HydrophobicContact CG2-CB 4Å; I4-N75 HydrophobicContact CG2-CB 4.26Å; I4-A122 HydrophobicContact CD1-CB 4.35Å; I4-L145 HydrophobicContact CD1-CD1 3.64Å; I4-L145 HydrophobicContact CG1-CD1 4.4Å; I4-C158 CarbonylContact O-C 3.49Å; I4-C158 VanDerWaalsContact O-CA 3.25Å; I4-C158 WeakPolarHBondContact O-CA 3.36Å; I4-S159 VanDerWaalsContact CG1-OG 3.22Å; I4-S159 WeakPolarHBondContact CG1-OG 3.34Å; I4-S159 PolarHBondContact N-OG 2.82Å; I4-S159 PolarHBondContact O-N 3.37Å
5W98.8Very high88.2Confident0 Ų024.6 Ų24.60%015%0.151CC..EExtended strand (participates in β ladder)trans-144.8135.1171.4179.897.4000108.4L7 Q17 A21 I24 F34 C44 G46 V157 G163 L167W5-L7 HydrophobicContact CH2-CB 4.43Å; W5-L7 HydrophobicContact CH2-CD1 3.24Å; W5-L7 HydrophobicContact CH2-CD2 4.13Å; W5-L7 HydrophobicContact CH2-CG 3.3Å; W5-L7 HydrophobicContact CZ2-CD1 3.45Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.45Å; W5-L7 HydrophobicContact CZ2-CD2 3.73Å; W5-L7 HydrophobicContact CZ2-CG 3.43Å; W5-L7 VanDerWaalsContact CZ2-CG 3.43Å; W5-L7 HydrophobicContact CZ3-CD1 4.21Å; W5-L7 HydrophobicContact CZ3-CG 3.88Å; W5-Q17 HydrophobicContact CH2-CB 3.97Å; W5-Q17 HydrophobicContact CZ2-CB 4.31Å; W5-A21 HydrophobicContact CB-CB 4.4Å; W5-A21 HydrophobicContact CD2-CB 3.84Å; W5-A21 HydrophobicContact CE3-CB 3.88Å; W5-A21 HydrophobicContact CG-CB 4.1Å; W5-A21 HydrophobicContact CZ3-CB 4.35Å; W5-I24 HydrophobicContact CB-CD1 4.08Å; W5-F34 HydrophobicContact CH2-CE2 4.22Å; W5-F34 HydrophobicContact CZ3-CD2 4.43Å; W5-F34 AromaticContact CZ3-CE2 3.7Å; W5-F34 HydrophobicContact CZ3-CE2 3.7Å; W5-C44 VanDerWaalsContact CZ3-SG 3.53Å; W5-G46 PolarHBondContact N-O 3.19Å; W5-G46 PolarHBondContact O-N 2.92Å; W5-V157 CarbonylContact C-O 3.54Å; W5-V157 WeakPolarHBondContact CA-O 3.38Å; W5-G163 PolarHBondContact NE1-O 3.41Å; W5-L167 HydrophobicContact CZ2-CD2 4.2Å
6A98.4Very high87.3Confident0 Ų028.6 Ų28.60%018%0.175CC..EExtended strand (participates in β ladder)trans-151.3148.417600000111.8F8 C44 F45 V124 A156 V157A6-F8 HydrophobicContact CB-CE2 4.06Å; A6-C44 CarbonylContact C-O 3.58Å; A6-C44 VanDerWaalsContact CA-O 3.24Å; A6-C44 WeakPolarHBondContact CA-O 3.31Å; A6-F45 HydrophobicContact CB-CD1 3.59Å; A6-F45 HydrophobicContact CB-CE1 3.87Å; A6-F45 HydrophobicContact CB-CG 4.33Å; A6-V124 HydrophobicContact CB-CG1 4.1Å; A6-A156 WeakPolarHBondContact O-CA 3.33Å; A6-V157 HydrophobicContact CB-CG2 3.79Å; A6-V157 PolarHBondContact N-O 3.11Å; A6-V157 PolarHBondContact O-N 3.02Å
7L97.8Very high86.8Confident0 Ų027.2 Ų27.20%017%0.166CC..EExtended strand (participates in β ladder)trans-123.6145.8173.8-57.9-177.1000110.5W5 Q17 C43 C44 F154 L155 A156 L167W5-L7 HydrophobicContact CH2-CB 4.43Å; W5-L7 HydrophobicContact CH2-CD1 3.24Å; W5-L7 HydrophobicContact CH2-CD2 4.13Å; W5-L7 HydrophobicContact CH2-CG 3.3Å; W5-L7 HydrophobicContact CZ2-CD1 3.45Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.45Å; W5-L7 HydrophobicContact CZ2-CD2 3.73Å; W5-L7 HydrophobicContact CZ2-CG 3.43Å; W5-L7 VanDerWaalsContact CZ2-CG 3.43Å; W5-L7 HydrophobicContact CZ3-CD1 4.21Å; W5-L7 HydrophobicContact CZ3-CG 3.88Å; L7-Q17 HydrophobicContact CD1-CB 3.97Å; L7-Q17 HydrophobicContact CD1-CG 4.13Å; L7-C43 CarbonylContact O-C 3.6Å; L7-C43 WeakPolarHBondContact O-CA 3.2Å; L7-C44 PolarHBondContact N-O 3.3Å; L7-C44 PolarHBondContact O-N 2.92Å; L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.32Å; L7-F154 HydrophobicContact CD2-CE2 3.94Å; L7-F154 HydrophobicContact CD2-CZ 3.83Å; L7-F154 HydrophobicContact CG-CE2 4.42Å; L7-L155 CarbonylContact C-O 3.49Å; L7-L155 WeakPolarHBondContact CA-O 2.94Å; L7-A156 HydrophobicContact CD2-CB 3.33Å; L7-L167 HydrophobicContact CD2-CD1 3.85Å
8F98Very high86.5Confident0 Ų027.4 Ų27.40%017%0.168CC..EExtended strand (participates in β ladder)trans-130.6128.4170.2-57.5-94.3000109.2A6 C43 F45 V124 L126 V133 F154 L155 G194 V196A6-F8 HydrophobicContact CB-CE2 4.06Å; F8-C43 HydrophobicContact CD1-CB 3.99Å; F8-F45 HydrophobicContact CE1-CZ 4.21Å; F8-F45 HydrophobicContact CZ-CE1 4.13Å; F8-F45 AromaticContact CZ-CZ 3.83Å; F8-F45 HydrophobicContact CZ-CZ 3.83Å; F8-V124 HydrophobicContact CE2-CG2 3.85Å; F8-V124 HydrophobicContact CZ-CG2 3.77Å; F8-L126 HydrophobicContact CE1-CB 4.21Å; F8-L126 HydrophobicContact CE1-CD1 4.2Å; F8-L126 HydrophobicContact CE1-CD2 4.24Å; F8-L126 HydrophobicContact CE1-CG 4.45Å; F8-V133 HydrophobicContact CD1-CG2 3.66Å; F8-V133 HydrophobicContact CD2-CG1 4.37Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.05Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.82Å; F8-V133 HydrophobicContact CG-CG2 4.28Å; F8-V133 HydrophobicContact CZ-CG1 3.64Å; F8-V133 HydrophobicContact CZ-CG2 3.99Å; F8-F154 WeakPolarHBondContact O-CD2 3.35Å; F8-L155 HydrophobicContact CB-CB 4.3Å; F8-L155 HydrophobicContact CD2-CB 4.39Å; F8-L155 HydrophobicContact CD2-CD2 3.79Å; F8-L155 HydrophobicContact CD2-CG 4.18Å; F8-L155 HydrophobicContact CE2-CD2 4.3Å; F8-L155 PolarHBondContact N-O 3Å; F8-L155 PolarHBondContact O-N 3.13Å; F8-G194 CarbonylContact C-O 3.39Å; F8-V196 HydrophobicContact CB-CG1 3.79Å; F8-V196 HydrophobicContact CG-CG1 4.25Å
9G95.9Very high86.5Confident0 Ų032.5 Ų32.50%019%0.194CC..SBendtrans71.838.717700000113.6N42 G194 K195G9-N42 PolarHBondContact N-O 2.67Å; G9-G194 WeakPolarHBondContact CA-O 3.46Å; G9-G194 PolarHBondContact N-O 3.28Å; G9-K195 WeakPolarHBondContact O-CD 3.49Å; G9-K195 WeakPolarHBondContact O-CE 3.24Å; G9-K195 PolarHBondContact O-NZ 3.29Å
10S92.8Very high86.7Confident5 Ų531.3 Ų31.34%0.03519%0.187CC..  trans-64.4142.61741780000112.2D12 Q17 N42S10-D12 PolarHBondContact OG-N 3.4Å; S10-Q17 PolarHBondContact OG-NE2 3.5Å; S10-Q17 PolarHBondContact OG-OE1 3.49Å; S10-N42 VanDerWaalsContact CB-O 3.31Å; S10-N42 WeakPolarHBondContact CB-O 3.31Å; S10-N42 PolarHBondContact N-O 2.9Å; S10-N42 VanDerWaalsContact O-CB 3.29Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å
11D82.7Confident87Confident76 Ų7629.8 Ų29.841%0.40618%0.178SC..  trans-90.4-14.3172.7-62.3-14.9000112.4H169 K195D11-H169 IonicContact OD1-CE1 3.94Å; D11-H169 IonicContact OD2-CE1 2.73Å; D11-H169 PolarHBondContact OD2-CE1 2.94Å; D11-H169 IonicContact OD2-ND1 3.84Å; D11-H169 PolarHBondContact OD2-ND1 3.47Å; D11-H169 IonicContact OD2-NE2 2.68Å; D11-K195 IonicContact OD1-NZ 3.88Å; D11-K195 PolarHBondContact OD1-NZ 2.76Å; D11-K195 IonicContact OD2-NZ 3.12Å
12D69.5Low87.4Confident67 Ų6733.4 Ų33.436%0.35820%0.196SC..SBendtrans-102.2159.7-164.6-103.1-16.4000113.3S10 L14 Q17S10-D12 PolarHBondContact OG-N 3.4Å; D12-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact O-N 3.14Å; D12-Q17 HydrophobicContact CB-CG 4.19Å
13C63.3Low87.4Confident84 Ų8437.8 Ų37.857%0.56821%0.213SC*.  trans-58.3118.8168178.30000109.8S15 V16C13-S15 PolarHBondContact O-N 3.11Å; C13-V16 HydrophobicContact CB-CG2 4.34Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.03Å
14L71.8Confident87.4Confident30 Ų3037.8 Ų37.816%0.15721%0.213CC..Hα-helixtrans-50.7-29.7-179.4-69.8178.6000113.8D12 V16 Q17 C18 F34 N36 T41 C44D12-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact O-N 3.14Å; L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 3.4Å; L14-Q17 PolarHBondContact O-N 2.98Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; L14-C18 PolarHBondContact O-N 2.71Å; L14-F34 HydrophobicContact CB-CE1 4.18Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; L14-F34 HydrophobicContact CD2-CZ 4.39Å; L14-N36 HydrophobicContact CD1-CB 3.5Å; L14-N36 VanDerWaalsContact CD1-CB 3.5Å; L14-T41 VanDerWaalsContact CD1-O 3.24Å; L14-T41 WeakPolarHBondContact CD1-O 3.24Å; L14-C44 HydrophobicContact CD2-CB 3.85Å; L14-C44 VanDerWaalsContact CD2-SG 3.53Å
15S70Confident87.4Confident90 Ų9039.5 Ų39.563%0.62923%0.227SC*.Hα-helixtrans-60.1-34.9175.9-173.80000113C13 Q17C13-S15 PolarHBondContact O-N 3.11Å; S15-Q17 VanDerWaalsContact C-N 3.33Å
16V74.6Confident87.4Confident88 Ų8842 Ų4253%0.53324%0.239SC..Hα-helixtrans-71.6-35.6177.7179.80000110C13 L14C13-V16 HydrophobicContact CB-CG2 4.34Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.03Å; L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 3.4Å
17Q78.1Confident87.4Confident6 Ų642 Ų423%0.02824%0.239CC..Hα-helixtrans-81.8-23.6-175.7-60.8-178-38.700113.1W5 L7 S10 D12 L14 S15 L19 S20 A21W5-Q17 HydrophobicContact CH2-CB 3.97Å; W5-Q17 HydrophobicContact CZ2-CB 4.31Å; L7-Q17 HydrophobicContact CD1-CB 3.97Å; L7-Q17 HydrophobicContact CD1-CG 4.13Å; S10-Q17 PolarHBondContact OG-NE2 3.5Å; S10-Q17 PolarHBondContact OG-OE1 3.49Å; D12-Q17 HydrophobicContact CB-CG 4.19Å; L14-Q17 PolarHBondContact O-N 2.98Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.88Å; Q17-S20 VanDerWaalsContact O-CB 3.28Å; Q17-S20 WeakPolarHBondContact O-CB 3.31Å; Q17-S20 PolarHBondContact O-N 2.94Å; Q17-A21 PolarHBondContact O-N 3.18Å
18C81.4Confident87.4Confident30 Ų3042.1 Ų42.120%0.20324%0.24CC..Hα-helixtrans-53.8-35.3170.5-175.40000112.2L14 S20 A21 M22 F34L14-C18 PolarHBondContact O-N 2.71Å; C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.75Å; C18-A21 WeakPolarHBondContact O-CB 3.31Å; C18-A21 PolarHBondContact O-N 2.98Å; C18-M22 PolarHBondContact O-N 2.67Å; C18-F34 HydrophobicContact CB-CD2 4.33Å; C18-F34 HydrophobicContact CB-CE2 4.15Å; C18-F34 HydrophobicContact CB-CZ 4.29Å
19L87.6Confident87.4Confident125 Ų12544.5 Ų44.565%0.65426%0.255SS*.Hα-helixtrans-64-30.7175.4-65.3175.1000113Q17 M22Q17-L19 PolarHBondContact O-N 2.88Å; L19-M22 PolarHBondContact O-N 3.12Å
20S90.1Very high87.6Confident8 Ų848 Ų486%0.05627%0.274CS..Hα-helixtrans-69.8-38.7175.7-154.50000111.2Q17 C18 M22 K23 G163 L167Q17-S20 VanDerWaalsContact O-CB 3.28Å; Q17-S20 WeakPolarHBondContact O-CB 3.31Å; Q17-S20 PolarHBondContact O-N 2.94Å; C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.75Å; S20-M22 PolarHBondContact O-N 2.68Å; S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å; S20-K23 PolarHBondContact O-N 3.23Å; S20-K23 VanDerWaalsContact O-N 3.15Å; S20-G163 PolarHBondContact OG-O 3.03Å; S20-L167 WeakPolarHBondContact OG-CD2 3.42Å
21A92.7Very high87.8Confident0 Ų049.7 Ų49.70%029%0.289CS..Hα-helixtrans-60.9-28175.600000112.1W5 Q17 C18 K23 I24 F32 H48W5-A21 HydrophobicContact CB-CB 4.4Å; W5-A21 HydrophobicContact CD2-CB 3.84Å; W5-A21 HydrophobicContact CE3-CB 3.88Å; W5-A21 HydrophobicContact CG-CB 4.1Å; W5-A21 HydrophobicContact CZ3-CB 4.35Å; Q17-A21 PolarHBondContact O-N 3.18Å; C18-A21 WeakPolarHBondContact O-CB 3.31Å; C18-A21 PolarHBondContact O-N 2.98Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.93Å; A21-I24 WeakPolarHBondContact O-CG1 3.41Å; A21-F32 HydrophobicContact CB-CE2 4.26Å; A21-F32 HydrophobicContact CB-CZ 4.27Å; A21-H48 PolarHBondContact O-CD2 2.85Å; A21-H48 PolarHBondContact O-NE2 3.19Å
22M96.9Very high88.6Confident77 Ų7749.5 Ų49.538%0.37928%0.284SS..G310 helixtrans-70.5-16.1178.8-59.3-59.4171.300114.2C18 L19 S20 I24 A25 F32C18-M22 PolarHBondContact O-N 2.67Å; L19-M22 PolarHBondContact O-N 3.12Å; S20-M22 PolarHBondContact O-N 2.68Å; M22-I24 PolarHBondContact O-N 2.83Å; M22-I24 VanDerWaalsContact O-N 3.11Å; M22-A25 WeakPolarHBondContact O-CB 3.29Å; M22-A25 PolarHBondContact O-N 3.15Å; M22-F32 HydrophobicContact CE-CD1 3.61Å; M22-F32 HydrophobicContact CE-CE1 3.11Å; M22-F32 HydrophobicContact CE-CE2 4.27Å; M22-F32 HydrophobicContact CE-CG 4.36Å; M22-F32 HydrophobicContact CE-CZ 3.47Å; M22-F32 VanDerWaalsContact CE-CZ 3.47Å; M22-F32 HydrophobicContact SD-CD1 4.34Å; M22-F32 HydrophobicContact SD-CE1 4.15Å; M22-F32 HydrophobicContact SD-CE2 4.41Å; M22-F32 HydrophobicContact SD-CZ 4.15Å
23K97.3Very high89.9Confident107 Ų10750.7 Ų50.747%0.46528%0.284SS..G310 helixtrans-65.7-13.7-177.8-66.1-66.4-173.2177.90114.3S20 A21 H26S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å; S20-K23 PolarHBondContact O-N 3.23Å; S20-K23 VanDerWaalsContact O-N 3.15Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.93Å; K23-H26 PolarHBondContact O-CE1 3.23Å
24I98.4Very high91.6Very high0 Ų049.4 Ų49.40%027%0.269CS..G310 helixtrans-115.616.7179.761.4166.5000113.2I4 W5 A21 M22 H26 R27 E160 K162I4-I24 WeakPolarHBondContact O-CD1 3.38Å; W5-I24 HydrophobicContact CB-CD1 4.08Å; A21-I24 WeakPolarHBondContact O-CG1 3.41Å; M22-I24 PolarHBondContact O-N 2.83Å; M22-I24 VanDerWaalsContact O-N 3.11Å; I24-H26 PolarHBondContact O-N 2.93Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 WeakPolarHBondContact O-CG 3.34Å; I24-R27 PolarHBondContact O-N 2.83Å; I24-E160 HydrophobicContact CG2-CB 3.91Å; I24-E160 HydrophobicContact CG2-CG 4.41Å; I24-K162 HydrophobicContact CG2-CG 4.31Å
25A98.6Very high92.7Very high36 Ų3649.9 Ų49.930%0.29827%0.27SS..THydrogen-bonded Turntrans-61.1-29.6-176.400000113.7M22 R27 G28 H48M22-A25 WeakPolarHBondContact O-CB 3.29Å; M22-A25 PolarHBondContact O-N 3.15Å; A25-R27 PolarHBondContact O-N 3.4Å; A25-R27 VanDerWaalsContact O-N 3.15Å; A25-G28 CarbonylContact O-C 3.57Å; A25-G28 PolarHBondContact O-N 3.49Å; A25-H48 VanDerWaalsContact CB-CE1 3.5Å; A25-H48 WeakPolarHBondContact CB-CE1 3.44Å
26H98.7Very high93.9Very high53 Ų5348.4 Ų48.425%0.24526%0.255CS..THydrogen-bonded Turntrans-55.9-31.517852.7-84.6000113.2K23 I24 E160 A410 G413K23-H26 PolarHBondContact O-CE1 3.23Å; I24-H26 PolarHBondContact O-N 2.93Å; H26-E160 IonicContact CD2-OE1 3.73Å; H26-E160 IonicContact CE1-OE2 2.66Å; H26-E160 PolarHBondContact CE1-OE2 2.85Å; H26-E160 VanDerWaalsContact NE2-CD 3.32Å; H26-E160 IonicContact NE2-OE1 3.48Å; H26-E160 PolarHBondContact NE2-OE1 2.87Å; H26-E160 IonicContact NE2-OE2 3.55Å; H26-E160 PolarHBondContact NE2-OE2 2.89Å; H26-A410 CarbonylContact C-O 3.59Å; H26-A410 VanDerWaalsContact O-O 3.06Å; H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.41Å; H26-G413 PolarHBondContact O-N 3.32Å
27R98.8Very high95Very high0 Ų044.2 Ų44.20%023%0.23CC..THydrogen-bonded Turntrans-63.3-52.5179.5-54.9-172.164.683.70.1110.1M1 C2 I24 A25 P29 N75 E160 D406 A410 G413M1-R27 CarbonylContact C-O 3.6Å; M1-R27 PolarHBondContact N-O 3.42Å; M1-R27 CarbonylContact O-C 3.6Å; M1-R27 VanDerWaalsContact O-CA 3.32Å; M1-R27 WeakPolarHBondContact O-CA 3.28Å; M1-R27 WeakPolarHBondContact O-CB 3.43Å; C2-R27 PolarHBondContact O-NE 2.88Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 WeakPolarHBondContact O-CG 3.34Å; I24-R27 PolarHBondContact O-N 2.83Å; A25-R27 PolarHBondContact O-N 3.4Å; A25-R27 VanDerWaalsContact O-N 3.15Å; R27-P29 VanDerWaalsContact O-CD 3.23Å; R27-P29 WeakPolarHBondContact O-CD 3.45Å; R27-N75 PolarHBondContact NH2-ND2 3.37Å; R27-N75 VanDerWaalsContact NH2-ND2 3.16Å; R27-E160 VanDerWaalsContact CD-OE1 3.27Å; R27-E160 WeakPolarHBondContact CD-OE1 3.16Å; R27-E160 IonicContact CZ-OE1 2.64Å; R27-E160 IonicContact NE-OE1 2.64Å; R27-E160 IonicContact NH1-OE1 3.04Å; R27-E160 PolarHBondContact NH1-OE1 3.47Å; R27-D406 IonicContact CZ-OD1 3.91Å; R27-D406 IonicContact CZ-OD2 3.53Å; R27-D406 IonicContact NH1-OD1 3.21Å; R27-D406 PolarHBondContact NH1-OD1 3.22Å; R27-D406 IonicContact NH1-OD2 3.56Å; R27-D406 IonicContact NH2-OD1 3.64Å; R27-D406 PolarHBondContact NH2-OD1 3.37Å; R27-D406 IonicContact NH2-OD2 3.21Å; R27-D406 PolarHBondContact NH2-OD2 3.27Å; R27-A410 WeakPolarHBondContact CA-O 3.46Å; R27-A410 HydrophobicContact CB-CB 4.46Å; R27-A410 HydrophobicContact CG-CB 4.1Å; R27-G413 WeakPolarHBondContact O-CA 3.42Å
28G98.6Very high95.8Very high2 Ų249.7 Ų49.72%0.02126%0.259CS..  trans-117.879.8-172.200000113.4M1 A25 D30 H48 R49M1-G28 PolarHBondContact O-N 3.15Å; A25-G28 CarbonylContact O-C 3.57Å; A25-G28 PolarHBondContact O-N 3.49Å; G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 2.97Å; G28-H48 WeakPolarHBondContact O-CB 3.46Å; G28-R49 CarbonylContact C-O 3.53Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.42Å
29P98.2Very high96.4Very high50 Ų5051.7 Ų51.733%0.32529%0.285SS..  trans-77.2-9.9-171.732.9-39.5000115.1R27 L50R27-P29 VanDerWaalsContact O-CD 3.23Å; R27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-L50 HydrophobicContact CG-CD1 4.12Å
30D98.5Very high96.8Very high73 Ų7346.7 Ų46.739%0.3926%0.258SS..SBendtrans-83.5-37.1-168.1-61.4-20.5000112.2G28 R49 A51 R251G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 2.97Å; D30-R49 WeakPolarHBondContact CB-O 3.36Å; D30-R49 PolarHBondContact N-O 3.42Å; D30-A51 PolarHBondContact OD2-N 3.3Å; D30-R251 IonicContact OD2-NH1 3.66Å; D30-R251 PolarHBondContact OD2-NH1 2.98Å
31A98.6Very high97Very high42 Ų4250.8 Ų50.835%0.34728%0.282SS..EExtended strand (participates in β ladder)trans-158.8155.5179.200000112.3H48 R49 M59A31-H48 CarbonylContact O-C 3.49Å; A31-H48 WeakPolarHBondContact O-CA 3.46Å; A31-R49 HydrophobicContact CB-CB 4.37Å; A31-R49 PolarHBondContact N-O 3.25Å; A31-R49 PolarHBondContact O-N 3Å; A31-M59 HydrophobicContact CB-CE 3.78Å; A31-M59 HydrophobicContact CB-SD 3.8Å
32F98.5Very high97.1Very high71 Ų7152.6 Ų52.631%0.31129%0.292SS..EExtended strand (participates in β ladder)trans-126.7138.7172.6175-110.8000111.1A21 M22 F34 F47 H48 M59A21-F32 HydrophobicContact CB-CE2 4.26Å; A21-F32 HydrophobicContact CB-CZ 4.27Å; M22-F32 HydrophobicContact CE-CD1 3.61Å; M22-F32 HydrophobicContact CE-CE1 3.11Å; M22-F32 HydrophobicContact CE-CE2 4.27Å; M22-F32 HydrophobicContact CE-CG 4.36Å; M22-F32 HydrophobicContact CE-CZ 3.47Å; M22-F32 VanDerWaalsContact CE-CZ 3.47Å; M22-F32 HydrophobicContact SD-CD1 4.34Å; M22-F32 HydrophobicContact SD-CE1 4.15Å; M22-F32 HydrophobicContact SD-CE2 4.41Å; M22-F32 HydrophobicContact SD-CZ 4.15Å; F32-F34 HydrophobicContact CE1-CB 3.7Å; F32-F34 HydrophobicContact CZ-CB 3.64Å; F32-F34 HydrophobicContact CZ-CD2 4.32Å; F32-F34 HydrophobicContact CZ-CG 4.43Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.49Å; F32-F47 WeakPolarHBondContact CD2-O 2.95Å; F32-H48 AromaticContact CD2-CD2 3.81Å; F32-H48 AromaticContact CD2-CE1 3.16Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.44Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.06Å; F32-H48 AromaticContact CD2-NE2 3.41Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.42Å; F32-H48 AromaticContact CE2-CE1 3.65Å; F32-H48 AromaticContact CE2-NE2 3.46Å; F32-H48 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H48 AromaticContact CG-CE1 3.77Å; F32-H48 AromaticContact CG-ND1 3.98Å; F32-M59 VanDerWaalsContact C-CE 3.4Å
33R98.1Very high97.1Very high92 Ų9249 Ų4935%0.34727%0.274SS..EExtended strand (participates in β ladder)trans-131.7136.4168.4-176.3-178.2-66.3167.20.2109.4G46 F47 M59 Q60 P61R33-G46 WeakPolarHBondContact O-CA 3.38Å; R33-F47 PolarHBondContact N-O 3.29Å; R33-F47 PolarHBondContact O-N 3.32Å; R33-M59 HydrophobicContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.02Å; R33-M59 VanDerWaalsContact NH2-CG 3.28Å; R33-Q60 WeakPolarHBondContact CB-O 3.37Å; R33-Q60 WeakPolarHBondContact CD-O 3.49Å; R33-P61 PolarHBondContact NH1-O 3.33Å
34F97.2Very high97.1Very high58 Ų5843.9 Ų43.925%0.25425%0.252SS..EExtended strand (participates in β ladder)trans-127.5125.4169.7-177.2-89.5000108.6W5 L14 C18 F32 C44 F45W5-F34 HydrophobicContact CH2-CE2 4.22Å; W5-F34 HydrophobicContact CZ3-CD2 4.43Å; W5-F34 AromaticContact CZ3-CE2 3.7Å; W5-F34 HydrophobicContact CZ3-CE2 3.7Å; L14-F34 HydrophobicContact CB-CE1 4.18Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; L14-F34 HydrophobicContact CD2-CZ 4.39Å; C18-F34 HydrophobicContact CB-CD2 4.33Å; C18-F34 HydrophobicContact CB-CE2 4.15Å; C18-F34 HydrophobicContact CB-CZ 4.29Å; F32-F34 HydrophobicContact CE1-CB 3.7Å; F32-F34 HydrophobicContact CZ-CB 3.64Å; F32-F34 HydrophobicContact CZ-CD2 4.32Å; F32-F34 HydrophobicContact CZ-CG 4.43Å; F34-C44 HydrophobicContact CE2-CB 4.35Å; F34-C44 HydrophobicContact CZ-CB 3.99Å; F34-F45 WeakPolarHBondContact CA-O 3.43Å
35E95.5Very high97.1Very high40 Ų4043.9 Ų43.919%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-147.4151.7175.257177.9150.200111.1C44 F45 P61 R63 W71E35-C44 WeakPolarHBondContact O-CA 3.03Å; E35-C44 WeakPolarHBondContact O-CB 3.46Å; E35-F45 PolarHBondContact N-O 2.94Å; E35-F45 VanDerWaalsContact N-O 3.09Å; E35-F45 PolarHBondContact O-N 3.09Å; E35-P61 HydrophobicContact CG-CG 3.98Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 3.37Å; E35-P61 WeakPolarHBondContact OE1-CG 3.26Å; E35-R63 IonicContact OE2-NH1 3.25Å; E35-R63 PolarHBondContact OE2-NH1 3.33Å; E35-R63 VanDerWaalsContact OE2-NH1 3.11Å; E35-W71 VanDerWaalsContact CD-CZ3 3.49Å; E35-W71 HydrophobicContact CG-CZ3 3.86Å; E35-W71 WeakPolarHBondContact OE2-CZ3 3.35Å
36N95.6Very high97.1Very high58 Ų5842.1 Ų42.131%0.3124%0.238SC..EExtended strand (participates in β ladder)trans-103.1168.1173.171.8-18.3000111.5L14 T41 C43 C44 W71L14-N36 HydrophobicContact CD1-CB 3.5Å; L14-N36 VanDerWaalsContact CD1-CB 3.5Å; N36-T41 PolarHBondContact ND2-O 3.5Å; N36-C43 VanDerWaalsContact CA-O 3.3Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.28Å; N36-C44 HydrophobicContact CB-CB 4.12Å; N36-W71 WeakPolarHBondContact O-CH2 3.27Å
37V96.8Very high97.1Very high1 Ų139.6 Ų39.61%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-94.4126.8-173.8-177.20000110.2G39 Y40 T41 C43 F45 W71 L126 T128V37-G39 PolarHBondContact O-N 3.43Å; V37-Y40 HydrophobicContact CG1-CD2 4.26Å; V37-Y40 CarbonylContact O-C 3.04Å; V37-Y40 PolarHBondContact O-N 2.82Å; V37-Y40 VanDerWaalsContact O-O 3.11Å; V37-T41 PolarHBondContact O-N 2.97Å; V37-C43 HydrophobicContact CB-CB 4.33Å; V37-C43 HydrophobicContact CG2-CB 4.06Å; V37-C43 PolarHBondContact N-O 3.45Å; V37-F45 HydrophobicContact CG2-CD2 4.23Å; V37-F45 HydrophobicContact CG2-CE2 3.76Å; V37-W71 HydrophobicContact CG1-CZ2 4.39Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; V37-L126 HydrophobicContact CB-CD2 4.32Å; V37-L126 HydrophobicContact CG1-CD2 3.85Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; V37-T128 HydrophobicContact CG1-CG2 3.86Å
38N95.1Very high97.1Very high121 Ų12139.9 Ų39.965%0.64723%0.227SC*.THydrogen-bonded Turntrans-58.8130.6172.9-6386.6000110.8Y40N38-Y40 PolarHBondContact O-N 3.38Å
39G94.7Very high97.1Very high72 Ų7240.4 Ų40.474%0.74223%0.229SC*.THydrogen-bonded Turntrans80-12.1-175.500000114.9V37V37-G39 PolarHBondContact O-N 3.43Å
40Y96.3Very high97.1Very high20 Ų2038.3 Ų38.38%0.07822%0.215CC..EExtended strand (participates in β ladder)trans-136.562.2174.1-64-75.9000109.1V37 N38 N42 C43 T128 K131 L190 K191V37-Y40 HydrophobicContact CG1-CD2 4.26Å; V37-Y40 CarbonylContact O-C 3.04Å; V37-Y40 PolarHBondContact O-N 2.82Å; V37-Y40 VanDerWaalsContact O-O 3.11Å; N38-Y40 PolarHBondContact O-N 3.38Å; Y40-N42 PolarHBondContact O-N 3.01Å; Y40-C43 WeakPolarHBondContact O-CA 3.23Å; Y40-C43 WeakPolarHBondContact O-CB 3.18Å; Y40-C43 PolarHBondContact O-N 3.16Å; Y40-T128 HydrophobicContact CD2-CG2 4.23Å; Y40-T128 HydrophobicContact CE2-CG2 4.34Å; Y40-K131 VanDerWaalsContact OH-CD 3.27Å; Y40-K131 WeakPolarHBondContact OH-CD 3.38Å; Y40-K131 WeakPolarHBondContact OH-CE 3.28Å; Y40-K131 PolarHBondContact OH-NZ 3.19Å; Y40-L190 HydrophobicContact CD1-CD1 4.35Å; Y40-L190 HydrophobicContact CD1-CD2 4.14Å; Y40-L190 HydrophobicContact CD1-CG 4.31Å; Y40-L190 HydrophobicContact CD2-CD2 3.83Å; Y40-L190 HydrophobicContact CE1-CD1 4.44Å; Y40-L190 HydrophobicContact CE1-CD2 3.88Å; Y40-L190 HydrophobicContact CE1-CG 3.96Å; Y40-L190 HydrophobicContact CE2-CD2 3.55Å; Y40-L190 HydrophobicContact CE2-CG 4.49Å; Y40-L190 HydrophobicContact CG-CD2 4.11Å; Y40-K191 VanDerWaalsContact CE1-O 3.29Å; Y40-K191 WeakPolarHBondContact CE1-O 3.32Å
41T94.1Very high97.1Very high94 Ų9435.3 Ų35.358%0.57720%0.2SC*.EExtended strand (participates in β ladder)trans-67.2-10.2-168.753.10000114L14 N36 V37L14-T41 VanDerWaalsContact CD1-O 3.24Å; L14-T41 WeakPolarHBondContact CD1-O 3.24Å; N36-T41 PolarHBondContact ND2-O 3.5Å; V37-T41 PolarHBondContact O-N 2.97Å
42N95.1Very high97.1Very high38 Ų3833.5 Ų33.520%0.20319%0.185CC..EExtended strand (participates in β ladder)trans-94.66.3171.163.4-21.7000113.7G9 S10 Y40 N193G9-N42 PolarHBondContact N-O 2.67Å; S10-N42 VanDerWaalsContact CB-O 3.31Å; S10-N42 WeakPolarHBondContact CB-O 3.31Å; S10-N42 PolarHBondContact N-O 2.9Å; S10-N42 VanDerWaalsContact O-CB 3.29Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å; Y40-N42 PolarHBondContact O-N 3.01Å; N42-N193 PolarHBondContact ND2-O 2.9Å
43C97.1Very high97.1Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-106.1134166.5-560000108.8L7 F8 N36 V37 Y40 G194L7-C43 CarbonylContact O-C 3.6Å; L7-C43 WeakPolarHBondContact O-CA 3.2Å; F8-C43 HydrophobicContact CD1-CB 3.99Å; N36-C43 VanDerWaalsContact CA-O 3.3Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.28Å; V37-C43 HydrophobicContact CB-CB 4.33Å; V37-C43 HydrophobicContact CG2-CB 4.06Å; V37-C43 PolarHBondContact N-O 3.45Å; Y40-C43 WeakPolarHBondContact O-CA 3.23Å; Y40-C43 WeakPolarHBondContact O-CB 3.18Å; Y40-C43 PolarHBondContact O-N 3.16Å; C43-G194 PolarHBondContact SG-O 3.18Å
44C96.9Very high97.1Very high0 Ų026.7 Ų26.70%016%0.159CC..EExtended strand (participates in β ladder)trans-150.4159.7-177.2630000112.8W5 A6 L7 L14 F34 E35 N36W5-C44 VanDerWaalsContact CZ3-SG 3.53Å; A6-C44 CarbonylContact C-O 3.58Å; A6-C44 VanDerWaalsContact CA-O 3.24Å; A6-C44 WeakPolarHBondContact CA-O 3.31Å; L7-C44 PolarHBondContact N-O 3.3Å; L7-C44 PolarHBondContact O-N 2.92Å; L14-C44 HydrophobicContact CD2-CB 3.85Å; L14-C44 VanDerWaalsContact CD2-SG 3.53Å; F34-C44 HydrophobicContact CE2-CB 4.35Å; F34-C44 HydrophobicContact CZ-CB 3.99Å; E35-C44 WeakPolarHBondContact O-CA 3.03Å; E35-C44 WeakPolarHBondContact O-CB 3.46Å; N36-C44 HydrophobicContact CB-CB 4.12Å
45F98.2Very high97.1Very high0 Ų027.4 Ų27.40%017%0.169CC..EExtended strand (participates in β ladder)trans-125.3136.9177.1-63-92.4000109.5A6 F8 F34 E35 V37 P61 W71 C73 V124 L126A6-F45 HydrophobicContact CB-CD1 3.59Å; A6-F45 HydrophobicContact CB-CE1 3.87Å; A6-F45 HydrophobicContact CB-CG 4.33Å; F8-F45 HydrophobicContact CE1-CZ 4.21Å; F8-F45 HydrophobicContact CZ-CE1 4.13Å; F8-F45 AromaticContact CZ-CZ 3.83Å; F8-F45 HydrophobicContact CZ-CZ 3.83Å; F34-F45 WeakPolarHBondContact CA-O 3.43Å; E35-F45 PolarHBondContact N-O 2.94Å; E35-F45 VanDerWaalsContact N-O 3.09Å; E35-F45 PolarHBondContact O-N 3.09Å; V37-F45 HydrophobicContact CG2-CD2 4.23Å; V37-F45 HydrophobicContact CG2-CE2 3.76Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.24Å; F45-P61 HydrophobicContact CG-CG 3.86Å; F45-W71 HydrophobicContact CD2-CE3 4.16Å; F45-W71 HydrophobicContact CE2-CB 4.12Å; F45-W71 HydrophobicContact CE2-CE3 4.22Å; F45-W71 HydrophobicContact CZ-CB 4.23Å; F45-C73 HydrophobicContact CD1-CB 4.11Å; F45-V124 HydrophobicContact CD1-CG1 4.16Å; F45-V124 HydrophobicContact CE1-CG1 3.84Å; F45-V124 HydrophobicContact CE1-CG2 4.06Å; F45-L126 HydrophobicContact CE2-CB 4.49Å; F45-L126 HydrophobicContact CE2-CD2 3.95Å; F45-L126 HydrophobicContact CZ-CB 3.85Å; F45-L126 HydrophobicContact CZ-CD2 4.1Å
46G97.9Very high97.1Very high0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-119.9127168.400000108.8W5 R33W5-G46 PolarHBondContact N-O 3.19Å; W5-G46 PolarHBondContact O-N 2.92Å; R33-G46 WeakPolarHBondContact O-CA 3.38Å
47F98.8Very high97.2Very high0 Ų035.3 Ų35.30%021%0.206CC..EExtended strand (participates in β ladder)trans-133.1121.4-177.1-172.6-107.7000111.7C2 G3 I4 F32 R33 R49 M59 Q60 Y74C2-F47 HydrophobicContact CB-CE1 4.41Å; C2-F47 HydrophobicContact CB-CE2 3.58Å; C2-F47 HydrophobicContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact SG-CZ 3.54Å; G3-F47 WeakPolarHBondContact O-CA 3.37Å; G3-F47 WeakPolarHBondContact O-CD2 3.38Å; I4-F47 HydrophobicContact CG2-CD2 3.77Å; I4-F47 HydrophobicContact CG2-CE2 3.72Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.49Å; F32-F47 WeakPolarHBondContact CD2-O 2.95Å; R33-F47 PolarHBondContact N-O 3.29Å; R33-F47 PolarHBondContact O-N 3.32Å; F47-R49 HydrophobicContact CD1-CB 4.02Å; F47-R49 HydrophobicContact CE1-CB 3.56Å; F47-R49 HydrophobicContact CE1-CG 3.73Å; F47-R49 HydrophobicContact CZ-CB 4.5Å; F47-R49 HydrophobicContact CZ-CG 4.48Å; F47-M59 HydrophobicContact CD1-CE 4.26Å; F47-M59 HydrophobicContact CD1-SD 4.41Å; F47-Q60 HydrophobicContact CB-CB 4.44Å; F47-Q60 HydrophobicContact CD1-CB 3.54Å; F47-Q60 HydrophobicContact CD1-CG 3.91Å; F47-Q60 HydrophobicContact CD2-CB 4.13Å; F47-Q60 HydrophobicContact CE1-CB 3.65Å; F47-Q60 HydrophobicContact CE1-CG 3.43Å; F47-Q60 VanDerWaalsContact CE1-CG 3.43Å; F47-Q60 HydrophobicContact CE2-CB 4.23Å; F47-Q60 HydrophobicContact CE2-CG 4.17Å; F47-Q60 HydrophobicContact CG-CB 3.78Å; F47-Q60 HydrophobicContact CG-CG 4.43Å; F47-Q60 HydrophobicContact CZ-CB 4Å; F47-Q60 HydrophobicContact CZ-CG 3.58Å; F47-Y74 WeakPolarHBondContact CE2-O 3.12Å
48H98.8Very high97.3Very high6 Ų635.3 Ų35.33%0.02821%0.206CC..EExtended strand (participates in β ladder)trans-101.3119170.4-67.6-83.6000108.7C2 G3 A21 A25 G28 A31 F32C2-H48 CarbonylContact C-O 3.52Å; C2-H48 WeakPolarHBondContact CA-O 3.3Å; C2-H48 WeakPolarHBondContact CB-O 3.23Å; G3-H48 PolarHBondContact N-O 3.06Å; G3-H48 PolarHBondContact O-N 2.58Å; A21-H48 PolarHBondContact O-CD2 2.85Å; A21-H48 PolarHBondContact O-NE2 3.19Å; A25-H48 VanDerWaalsContact CB-CE1 3.5Å; A25-H48 WeakPolarHBondContact CB-CE1 3.44Å; G28-H48 WeakPolarHBondContact O-CB 3.46Å; A31-H48 CarbonylContact O-C 3.49Å; A31-H48 WeakPolarHBondContact O-CA 3.46Å; F32-H48 AromaticContact CD2-CD2 3.81Å; F32-H48 AromaticContact CD2-CE1 3.16Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.44Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.06Å; F32-H48 AromaticContact CD2-NE2 3.41Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.42Å; F32-H48 AromaticContact CE2-CE1 3.65Å; F32-H48 AromaticContact CE2-NE2 3.46Å; F32-H48 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H48 AromaticContact CG-CE1 3.77Å; F32-H48 AromaticContact CG-ND1 3.98Å
49R98.8Very high97.5Very high12 Ų1231 Ų315%0.04518%0.183CC..EExtended strand (participates in β ladder)trans-98.7130-173.2-166.4168.3-169.4-133.4-3.7111.2G28 D30 A31 F47 A51 V53 D54 P55 G58 M59G28-R49 CarbonylContact C-O 3.53Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.42Å; D30-R49 WeakPolarHBondContact CB-O 3.36Å; D30-R49 PolarHBondContact N-O 3.42Å; A31-R49 HydrophobicContact CB-CB 4.37Å; A31-R49 PolarHBondContact N-O 3.25Å; A31-R49 PolarHBondContact O-N 3Å; F47-R49 HydrophobicContact CD1-CB 4.02Å; F47-R49 HydrophobicContact CE1-CB 3.56Å; F47-R49 HydrophobicContact CE1-CG 3.73Å; F47-R49 HydrophobicContact CZ-CB 4.5Å; F47-R49 HydrophobicContact CZ-CG 4.48Å; R49-A51 HydrophobicContact CG-CB 4.46Å; R49-V53 PolarHBondContact NH2-O 2.62Å; R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 VanDerWaalsContact NH1-O 3.08Å; R49-D54 PolarHBondContact NH2-O 3.43Å; R49-P55 PolarHBondContact NH1-O 3.16Å; R49-G58 PolarHBondContact NE-O 3.37Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 PolarHBondContact NH2-O 3.33Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.8Å; R49-M59 VanDerWaalsContact CD-SD 3.51Å; R49-M59 HydrophobicContact CG-SD 4.29Å
50L98.7Very high97.7Very high6 Ų627.9 Ų27.93%0.03115%0.149CC..  trans-100.8111.7151.3179.168.9000106.1C2 P29 V52 V359 G413 E415C2-L50 PolarHBondContact SG-N 2.98Å; C2-L50 PolarHBondContact SG-O 2.93Å; P29-L50 HydrophobicContact CG-CD1 4.12Å; L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.99Å; L50-V52 PolarHBondContact O-N 3.42Å; L50-V52 VanDerWaalsContact O-N 3.09Å; L50-V359 HydrophobicContact CD1-CG1 3.72Å; L50-V359 HydrophobicContact CD2-CG1 3.6Å; L50-V359 HydrophobicContact CG-CG1 3.86Å; L50-G413 VanDerWaalsContact CD1-O 3.3Å; L50-G413 WeakPolarHBondContact CD1-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.29Å; L50-E415 HydrophobicContact CD2-CB 4.1Å
51A98.6Very high97.8Very high10 Ų1027 Ų278%0.08315%0.145CC..  trans-79.295.6-175.600000109.9D30 R49 P55 R251D30-A51 PolarHBondContact OD2-N 3.3Å; R49-A51 HydrophobicContact CG-CB 4.46Å; A51-P55 HydrophobicContact CB-CB 4.27Å; A51-R251 VanDerWaalsContact O-CD 3.32Å; A51-R251 WeakPolarHBondContact O-CD 3.36Å; A51-R251 WeakPolarHBondContact O-CG 3.32Å; A51-R251 PolarHBondContact O-NH1 3.03Å
52V98.6Very high98Very high5 Ų522.7 Ų22.73%0.0312%0.119CC..  trans-95.6-46.5179.1-179.30000111.5L50 E77 T249 D250 V359 V360 E415L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.99Å; L50-V52 PolarHBondContact O-N 3.42Å; L50-V52 VanDerWaalsContact O-N 3.09Å; V52-E77 WeakPolarHBondContact CB-OE1 3.38Å; V52-E77 WeakPolarHBondContact CG1-OE1 3.31Å; V52-T249 VanDerWaalsContact CG1-OG1 3.27Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.12Å; V52-T249 PolarHBondContact O-OG1 2.82Å; V52-D250 PolarHBondContact O-N 3.05Å; V52-V359 HydrophobicContact CG2-CG1 4.46Å; V52-V360 HydrophobicContact CG1-CG2 3.67Å; V52-E415 HydrophobicContact CG2-CB 4.34Å
53V98.5Very high98.2Very high10 Ų1025.8 Ų25.86%0.06113%0.128CC..SBendtrans-119.9137.2174.5-179.50000109.4R49 M248R49-V53 PolarHBondContact NH2-O 2.62Å; V53-M248 HydrophobicContact CG2-CE 4.34Å; V53-M248 HydrophobicContact CG2-CG 4.24Å
54D97.9Very high98.3Very high9 Ų926.1 Ų26.15%0.04813%0.13CC..  trans5474.4178.2-176.613.6000113.2R49 L56 F57 G58 N95 V96 D250R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 VanDerWaalsContact NH1-O 3.08Å; R49-D54 PolarHBondContact NH2-O 3.43Å; D54-L56 PolarHBondContact O-N 3.05Å; D54-F57 WeakPolarHBondContact OD1-CD2 3.49Å; D54-F57 PolarHBondContact OD1-N 3.45Å; D54-F57 WeakPolarHBondContact OD2-CB 3.37Å; D54-G58 PolarHBondContact O-N 3.19Å; D54-G58 PolarHBondContact OD2-N 3.07Å; D54-N95 HydrophobicContact CB-CB 3.82Å; D54-N95 WeakPolarHBondContact OD2-CA 3.24Å; D54-N95 PolarHBondContact OD2-N 2.91Å; D54-V96 HydrophobicContact CB-CB 4.25Å; D54-V96 PolarHBondContact OD2-N 3.03Å; D54-D250 PolarHBondContact N-OD2 2.85Å
55P96.4Very high98.3Very high73 Ų7334.8 Ų34.847%0.47417%0.167SC..THydrogen-bonded Turntrans-63.3-27.2-17724.9-33.6000113R49 A51R49-P55 PolarHBondContact NH1-O 3.16Å; A51-P55 HydrophobicContact CB-CB 4.27Å
56L97.3Very high98.4Very high136 Ų13640.1 Ų40.171%0.71219%0.191SC*.THydrogen-bonded Turntrans-84.7-43.9-174-63.3178.6000113.2D54D54-L56 PolarHBondContact O-N 3.05Å
57F97.8Very high98.4Very high129 Ų12940.5 Ų40.557%0.56619%0.192SC*.THydrogen-bonded Turntrans-114.8-10.2-169.1-48.9-74.5000114.8D54 M59 T94D54-F57 WeakPolarHBondContact OD1-CD2 3.49Å; D54-F57 PolarHBondContact OD1-N 3.45Å; D54-F57 WeakPolarHBondContact OD2-CB 3.37Å; F57-M59 VanDerWaalsContact C-N 3.33Å; F57-M59 PolarHBondContact O-N 3.2Å; F57-T94 HydrophobicContact CB-CG2 4.35Å; F57-T94 WeakPolarHBondContact O-CG2 3.21Å
58G98Very high98.3Very high1 Ų144.8 Ų44.81%0.0122%0.22CC..  trans-85.619.3-174.700000116.9R49 D54R49-G58 PolarHBondContact NE-O 3.37Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 PolarHBondContact NH2-O 3.33Å; D54-G58 PolarHBondContact O-N 3.19Å; D54-G58 PolarHBondContact OD2-N 3.07Å
59M98.7Very high98.3Very high31 Ų3147.9 Ų47.915%0.15323%0.232CC..  trans-69.7137178.8-172.364.5-176.100111.6A31 F32 R33 F47 R49 F57A31-M59 HydrophobicContact CB-CE 3.78Å; A31-M59 HydrophobicContact CB-SD 3.8Å; F32-M59 VanDerWaalsContact C-CE 3.4Å; R33-M59 HydrophobicContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.02Å; R33-M59 VanDerWaalsContact NH2-CG 3.28Å; F47-M59 HydrophobicContact CD1-CE 4.26Å; F47-M59 HydrophobicContact CD1-SD 4.41Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.8Å; R49-M59 VanDerWaalsContact CD-SD 3.51Å; R49-M59 HydrophobicContact CG-SD 4.29Å; F57-M59 VanDerWaalsContact C-N 3.33Å; F57-M59 PolarHBondContact O-N 3.2Å
60Q98.8Very high98.3Very high5 Ų547.3 Ų47.32%0.02323%0.23CC..SBendtrans-109.9159.2-173.6-38.7-173.917.300112.7R33 F47 I62 Y74R33-Q60 WeakPolarHBondContact CB-O 3.37Å; R33-Q60 WeakPolarHBondContact CD-O 3.49Å; F47-Q60 HydrophobicContact CB-CB 4.44Å; F47-Q60 HydrophobicContact CD1-CB 3.54Å; F47-Q60 HydrophobicContact CD1-CG 3.91Å; F47-Q60 HydrophobicContact CD2-CB 4.13Å; F47-Q60 HydrophobicContact CE1-CB 3.65Å; F47-Q60 HydrophobicContact CE1-CG 3.43Å; F47-Q60 VanDerWaalsContact CE1-CG 3.43Å; F47-Q60 HydrophobicContact CE2-CB 4.23Å; F47-Q60 HydrophobicContact CE2-CG 4.17Å; F47-Q60 HydrophobicContact CG-CB 3.78Å; F47-Q60 HydrophobicContact CG-CG 4.43Å; F47-Q60 HydrophobicContact CZ-CB 4Å; F47-Q60 HydrophobicContact CZ-CG 3.58Å; Q60-I62 HydrophobicContact CB-CG1 4.09Å; Q60-I62 HydrophobicContact CG-CD1 4.15Å; Q60-I62 HydrophobicContact CG-CG1 3.63Å; Q60-Y74 PolarHBondContact NE2-O 2.93Å; Q60-Y74 PolarHBondContact OE1-O 3.3Å
61P98.6Very high98.3Very high1 Ų147.3 Ų47.31%0.00623%0.229CC..SBendcis-53.91310.5-26.932.3000114.4R33 E35 F45 R63 W71 L72R33-P61 PolarHBondContact NH1-O 3.33Å; E35-P61 HydrophobicContact CG-CG 3.98Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 3.37Å; E35-P61 WeakPolarHBondContact OE1-CG 3.26Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.24Å; F45-P61 HydrophobicContact CG-CG 3.86Å; P61-R63 PolarHBondContact O-N 2.84Å; P61-W71 HydrophobicContact CB-CE3 4.18Å; P61-W71 HydrophobicContact CG-CE3 4.49Å; P61-L72 CarbonylContact C-O 3.52Å; P61-L72 WeakPolarHBondContact CA-O 3.39Å
62I98.8Very high98.4Very high5 Ų546.9 Ų46.93%0.02623%0.226CC..BIsolated β-bridgetrans-72.9120.9176-54.5177.9000107.2Q60 V64 L72 Y74 V96 L102Q60-I62 HydrophobicContact CB-CG1 4.09Å; Q60-I62 HydrophobicContact CG-CD1 4.15Å; Q60-I62 HydrophobicContact CG-CG1 3.63Å; I62-V64 HydrophobicContact CG2-CG1 4.22Å; I62-L72 HydrophobicContact CB-CB 4.3Å; I62-L72 HydrophobicContact CD1-CD2 4.22Å; I62-L72 PolarHBondContact N-O 3.22Å; I62-L72 PolarHBondContact O-N 2.94Å; I62-L72 VanDerWaalsContact O-N 3.16Å; I62-Y74 HydrophobicContact CD1-CD1 4.14Å; I62-Y74 HydrophobicContact CD1-CE1 3.86Å; I62-V96 HydrophobicContact CD1-CG1 3.65Å; I62-L102 HydrophobicContact CB-CD1 4.43Å; I62-L102 HydrophobicContact CG2-CD1 3.76Å
63R98.6Very high98.4Very high103 Ų10346.6 Ų46.639%0.38922%0.224SC..  trans-136.1123176.1-65.2168.864.3-167.5-1.3107.6E35 P61 W71E35-R63 IonicContact OE2-NH1 3.25Å; E35-R63 PolarHBondContact OE2-NH1 3.33Å; E35-R63 VanDerWaalsContact OE2-NH1 3.11Å; P61-R63 PolarHBondContact O-N 2.84Å; R63-W71 HydrophobicContact CG-CD2 4.09Å; R63-W71 HydrophobicContact CG-CE3 4.22Å; R63-W71 HydrophobicContact CG-CG 4.32Å
64V98.7Very high98.4Very high6 Ų646.4 Ų46.44%0.03622%0.222CC..  trans-117.3147.9-178.9-58.60000110I62 K66 Y67 Q93 E99 L102I62-V64 HydrophobicContact CG2-CG1 4.22Å; V64-K66 HydrophobicContact CG2-CB 4.41Å; V64-K66 PolarHBondContact O-N 3.24Å; V64-Y67 HydrophobicContact CG2-CD2 3.48Å; V64-Y67 VanDerWaalsContact CG2-CD2 3.48Å; V64-Y67 HydrophobicContact CG2-CE2 4.29Å; V64-Y67 HydrophobicContact CG2-CG 4.19Å; V64-Y67 CarbonylContact O-C 3.54Å; V64-Y67 PolarHBondContact O-N 2.79Å; V64-Q93 HydrophobicContact CB-CB 4.14Å; V64-Q93 HydrophobicContact CG1-CB 3.97Å; V64-E99 HydrophobicContact CG1-CG 4.15Å; V64-L102 HydrophobicContact CG1-CD1 4.17Å; V64-L102 HydrophobicContact CG2-CD1 3.95Å
65K98.6Very high98.4Very high183 Ų18346 Ų4680%0.79622%0.22SC*.THydrogen-bonded Turntrans-58.1-33-176.1-175.4178.6179.2-176.20112.4Y67K65-Y67 VanDerWaalsContact C-N 3.25Å; K65-Y67 PolarHBondContact O-N 3.28Å
66K98.6Very high98.5Very high112 Ų11242.8 Ų42.849%0.48720%0.2SC..THydrogen-bonded Turntrans-62.7-32179.1-166.3173.5178.4165.90112.7V64 P68V64-K66 HydrophobicContact CG2-CB 4.41Å; V64-K66 PolarHBondContact O-N 3.24Å; K66-P68 WeakPolarHBondContact O-CD 3.37Å
67Y98.5Very high98.6Very high7 Ų736.7 Ų36.73%0.02717%0.168CC..  trans-129.170.3-173.3-49.4-55000110.8V64 K65 Y69 L70 L102 H103 D106V64-Y67 HydrophobicContact CG2-CD2 3.48Å; V64-Y67 VanDerWaalsContact CG2-CD2 3.48Å; V64-Y67 HydrophobicContact CG2-CE2 4.29Å; V64-Y67 HydrophobicContact CG2-CG 4.19Å; V64-Y67 CarbonylContact O-C 3.54Å; V64-Y67 PolarHBondContact O-N 2.79Å; K65-Y67 VanDerWaalsContact C-N 3.25Å; K65-Y67 PolarHBondContact O-N 3.28Å; Y67-Y69 PolarHBondContact O-N 3.43Å; Y67-L70 HydrophobicContact CD2-CD1 4.42Å; Y67-L70 HydrophobicContact CG-CD1 4.02Å; Y67-L70 PolarHBondContact O-N 2.79Å; Y67-L70 VanDerWaalsContact O-N 3.12Å; Y67-L102 HydrophobicContact CD2-CB 4.03Å; Y67-L102 HydrophobicContact CE2-CB 4.35Å; Y67-H103 AromaticContact CE2-CE1 3.83Å; Y67-H103 AromaticContact CE2-ND1 3.59Å; Y67-H103 AromaticContact CZ-ND1 3.85Å; Y67-H103 PolarHBondContact OH-ND1 3.22Å; Y67-D106 HydrophobicContact CD1-CB 4Å; Y67-D106 HydrophobicContact CE1-CB 3.57Å; Y67-D106 WeakPolarHBondContact CE1-OD2 3.43Å; Y67-D106 HydrophobicContact CE2-CB 4.49Å
68P98.1Very high98.7Very high91 Ų9130.5 Ų30.559%0.59114%0.141SC*.THydrogen-bonded Turntrans-65.4-16.7-170.226.9-35.4000114.2K66K66-P68 WeakPolarHBondContact O-CD 3.37Å
69Y98.4Very high98.7Very high70 Ų7031.3 Ų31.328%0.27514%0.144SC..THydrogen-bonded Turntrans-92.8-8.6-18044.7-90.5000114.1Y67 D106 T128 A129Y67-Y69 PolarHBondContact O-N 3.43Å; Y69-D106 PolarHBondContact OH-OD1 3.39Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.32Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.36Å; Y69-T128 PolarHBondContact O-N 3.45Å; Y69-T128 PolarHBondContact O-OG1 3.24Å; Y69-A129 HydrophobicContact CD1-CB 4.24Å; Y69-A129 HydrophobicContact CD2-CB 3.75Å; Y69-A129 HydrophobicContact CE2-CB 4.42Å; Y69-A129 HydrophobicContact CG-CB 3.67Å
70L98.9Very high98.7Very high0 Ų030.7 Ų30.70%014%0.141CC..EExtended strand (participates in β ladder)trans-98.8137.4-177.7-57.8-174.7000112.3Y67 L102 Y105 L126 D127Y67-L70 HydrophobicContact CD2-CD1 4.42Å; Y67-L70 HydrophobicContact CG-CD1 4.02Å; Y67-L70 PolarHBondContact O-N 2.79Å; Y67-L70 VanDerWaalsContact O-N 3.12Å; L70-L102 HydrophobicContact CB-CD2 3.95Å; L70-L102 HydrophobicContact CD1-CD2 4.16Å; L70-Y105 HydrophobicContact CD1-CD1 3.76Å; L70-Y105 HydrophobicContact CD1-CE1 4.19Å; L70-Y105 HydrophobicContact CD2-CD1 4.02Å; L70-Y105 HydrophobicContact CD2-CE1 3.62Å; L70-L126 WeakPolarHBondContact CA-O 3.3Å; L70-D127 HydrophobicContact CD2-CB 3.68Å
71W98.9Very high98.6Very high7 Ų731.3 Ų31.33%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-133.6119.3177.6-61.262.8000109E35 N36 V37 F45 P61 R63 L125 L126E35-W71 VanDerWaalsContact CD-CZ3 3.49Å; E35-W71 HydrophobicContact CG-CZ3 3.86Å; E35-W71 WeakPolarHBondContact OE2-CZ3 3.35Å; N36-W71 WeakPolarHBondContact O-CH2 3.27Å; V37-W71 HydrophobicContact CG1-CZ2 4.39Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; F45-W71 HydrophobicContact CD2-CE3 4.16Å; F45-W71 HydrophobicContact CE2-CB 4.12Å; F45-W71 HydrophobicContact CE2-CE3 4.22Å; F45-W71 HydrophobicContact CZ-CB 4.23Å; P61-W71 HydrophobicContact CB-CE3 4.18Å; P61-W71 HydrophobicContact CG-CE3 4.49Å; R63-W71 HydrophobicContact CG-CD2 4.09Å; R63-W71 HydrophobicContact CG-CE3 4.22Å; R63-W71 HydrophobicContact CG-CG 4.32Å; W71-L125 WeakPolarHBondContact O-CA 3.31Å; W71-L126 HydrophobicContact CB-CB 4.19Å; W71-L126 HydrophobicContact CB-CD2 4.4Å; W71-L126 HydrophobicContact CG-CD2 4.29Å; W71-L126 PolarHBondContact N-O 3.49Å; W71-L126 PolarHBondContact O-N 2.99Å
72L98.9Very high98.6Very high0 Ų034.9 Ų34.90%016%0.159CC..EExtended strand (participates in β ladder)trans-120127.1-178.4172.766.9000111.3P61 I62 G98 I101 L102 F123 L125P61-L72 CarbonylContact C-O 3.52Å; P61-L72 WeakPolarHBondContact CA-O 3.39Å; I62-L72 HydrophobicContact CB-CB 4.3Å; I62-L72 HydrophobicContact CD1-CD2 4.22Å; I62-L72 PolarHBondContact N-O 3.22Å; I62-L72 PolarHBondContact O-N 2.94Å; I62-L72 VanDerWaalsContact O-N 3.16Å; L72-G98 WeakPolarHBondContact CD2-O 3.3Å; L72-I101 HydrophobicContact CD1-CG2 4.19Å; L72-I101 HydrophobicContact CD2-CB 3.8Å; L72-I101 HydrophobicContact CD2-CD1 4.23Å; L72-I101 HydrophobicContact CD2-CG2 4.07Å; L72-L102 HydrophobicContact CB-CD2 3.71Å; L72-L102 HydrophobicContact CB-CG 4.37Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.09Å; L72-F123 HydrophobicContact CD1-CB 3.99Å; L72-F123 HydrophobicContact CD1-CD2 4.39Å; L72-F123 HydrophobicContact CD1-CG 4.4Å; L72-L125 HydrophobicContact CB-CD1 4.13Å; L72-L125 HydrophobicContact CD1-CB 4.27Å; L72-L125 HydrophobicContact CD1-CD1 4.48Å
73C98.9Very high98.4Very high0 Ų036.9 Ų36.90%017%0.168CC..EExtended strand (participates in β ladder)trans-118125.7161.6-92.30000108.6I4 F45 F123 V124I4-C73 HydrophobicContact CB-CB 4.49Å; I4-C73 HydrophobicContact CG2-CB 4Å; F45-C73 HydrophobicContact CD1-CB 4.11Å; C73-F123 CarbonylContact O-C 3.51Å; C73-F123 VanDerWaalsContact O-CA 3.27Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; C73-V124 HydrophobicContact CB-CG1 3.78Å; C73-V124 PolarHBondContact N-O 3.08Å; C73-V124 PolarHBondContact O-N 3.5Å
74Y98.9Very high98.3Very high5 Ų532 Ų322%0.0215%0.149CC..EExtended strand (participates in β ladder)trans-139.1145.4174.286.9-61000112.2F47 Q60 I62 G76 I78 D97 G98 I101 A122F47-Y74 WeakPolarHBondContact CE2-O 3.12Å; Q60-Y74 PolarHBondContact NE2-O 2.93Å; Q60-Y74 PolarHBondContact OE1-O 3.3Å; I62-Y74 HydrophobicContact CD1-CD1 4.14Å; I62-Y74 HydrophobicContact CD1-CE1 3.86Å; Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.22Å; Y74-G76 WeakPolarHBondContact CE2-O 3.08Å; Y74-I78 HydrophobicContact CE2-CG1 4.36Å; Y74-D97 PolarHBondContact OH-OD1 2.96Å; Y74-D97 PolarHBondContact OH-OD2 3.49Å; Y74-G98 VanDerWaalsContact CZ-CA 3.4Å; Y74-G98 WeakPolarHBondContact OH-CA 3.5Å; Y74-G98 PolarHBondContact OH-N 2.8Å; Y74-I101 HydrophobicContact CD2-CD1 4.38Å; Y74-I101 HydrophobicContact CG-CD1 4.49Å; Y74-A122 CarbonylContact C-O 3.02Å; Y74-A122 WeakPolarHBondContact CA-O 3.42Å
75N98.9Very high98.3Very high1 Ų133.4 Ų33.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-109.3107164168.432000107.3C2 I4 R27 F121 A122 R143C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3Å; C2-N75 PolarHBondContact O-ND2 3.47Å; C2-N75 PolarHBondContact O-OD1 3.47Å; I4-N75 HydrophobicContact CG2-CB 4.26Å; R27-N75 PolarHBondContact NH2-ND2 3.37Å; R27-N75 VanDerWaalsContact NH2-ND2 3.16Å; N75-F121 CarbonylContact O-C 3.59Å; N75-F121 WeakPolarHBondContact O-CA 3.26Å; N75-A122 PolarHBondContact N-O 2.66Å; N75-A122 PolarHBondContact O-N 3.4Å; N75-R143 WeakPolarHBondContact O-CB 3.47Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.23Å
76G98.6Very high98.2Very high6 Ų633.3 Ų33.36%0.06215%0.15CC..EExtended strand (participates in β ladder)trans174.1-179.2-174.900000114.4Y74 V120Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.22Å; Y74-G76 WeakPolarHBondContact CE2-O 3.08Å; G76-V120 CarbonylContact C-O 3.48Å; G76-V120 WeakPolarHBondContact CA-O 3.08Å
77E98.9Very high98.1Very high7 Ų733.2 Ų33.23%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-139.1118.1176.9-67.5-73.2150.100108V52 Y79 D97 G119 V120 M248 E415 R417V52-E77 WeakPolarHBondContact CB-OE1 3.38Å; V52-E77 WeakPolarHBondContact CG1-OE1 3.31Å; E77-Y79 HydrophobicContact CB-CD1 4.19Å; E77-Y79 HydrophobicContact CB-CE1 3.54Å; E77-Y79 HydrophobicContact CG-CE1 4.38Å; E77-D97 WeakPolarHBondContact CA-OD2 3.36Å; E77-G119 WeakPolarHBondContact O-CA 3.09Å; E77-V120 HydrophobicContact CB-CG2 4.45Å; E77-V120 PolarHBondContact N-O 3.1Å; E77-V120 PolarHBondContact O-N 2.89Å; E77-V120 VanDerWaalsContact O-N 3.09Å; E77-M248 HydrophobicContact CB-CE 4.05Å; E77-M248 WeakPolarHBondContact OE2-CE 3.31Å; E77-E415 WeakPolarHBondContact CG-OE2 3.45Å; E77-R417 IonicContact OE1-NH2 3.35Å; E77-R417 IonicContact OE2-CZ 3.57Å; E77-R417 IonicContact OE2-NH2 2.68Å; E77-R417 PolarHBondContact OE2-NH2 2.91Å
78I98.8Very high98Very high0 Ų034.9 Ų34.90%016%0.158CC..EExtended strand (participates in β ladder)trans-98.888178.3-47.4-55.4000109.5Y74 N80 Y81 D97 I100 I101 L117 F121Y74-I78 HydrophobicContact CE2-CG1 4.36Å; I78-N80 VanDerWaalsContact C-N 3.25Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.33Å; I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.16Å; I78-Y81 WeakPolarHBondContact O-CB 3.24Å; I78-Y81 VanDerWaalsContact O-CD1 3.32Å; I78-Y81 WeakPolarHBondContact O-CD1 3.45Å; I78-Y81 PolarHBondContact O-N 3.35Å; I78-Y81 VanDerWaalsContact O-N 3.08Å; I78-D97 HydrophobicContact CB-CB 4.39Å; I78-D97 PolarHBondContact N-OD2 2.93Å; I78-I100 HydrophobicContact CB-CG2 4.18Å; I78-I100 HydrophobicContact CG1-CG2 4.32Å; I78-I100 HydrophobicContact CG2-CG2 3.77Å; I78-I101 HydrophobicContact CD1-CD1 4.35Å; I78-I101 HydrophobicContact CG1-CD1 4.36Å; I78-L117 HydrophobicContact CD1-CB 4.36Å; I78-L117 HydrophobicContact CD1-CD1 4.19Å; I78-L117 HydrophobicContact CD1-CD2 4.45Å; I78-L117 HydrophobicContact CG2-CB 4.48Å; I78-L117 HydrophobicContact CG2-CD2 3.94Å; I78-F121 HydrophobicContact CD1-CB 4.11Å; I78-F121 HydrophobicContact CD1-CD1 3.67Å; I78-F121 HydrophobicContact CD1-CE1 4.49Å; I78-F121 HydrophobicContact CD1-CG 4.16Å
79Y98.6Very high98Very high18 Ų1838.9 Ų38.97%0.07117%0.169CC..THydrogen-bonded Turntrans-62.7-26.6-169.3-52.5-60.3000114.3E77 D118 K245 R246 M248E77-Y79 HydrophobicContact CB-CD1 4.19Å; E77-Y79 HydrophobicContact CB-CE1 3.54Å; E77-Y79 HydrophobicContact CG-CE1 4.38Å; Y79-D118 WeakPolarHBondContact CB-O 3.34Å; Y79-D118 PolarHBondContact N-O 2.97Å; Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.29Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; Y79-R246 HydrophobicContact CD1-CG 4.13Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.34Å; Y79-R246 HydrophobicContact CE1-CG 3.67Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; Y79-M248 HydrophobicContact CD1-CE 4.09Å
80N98Very high98Very high17 Ų1736.6 Ų36.69%0.09116%0.161CC..THydrogen-bonded Turntrans-89.63.6177.969.4-18.9000114.7I78 K82 K83 M84 M116 D118I78-N80 VanDerWaalsContact C-N 3.25Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.33Å; I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.16Å; N80-K82 PolarHBondContact O-N 3.34Å; N80-K83 WeakPolarHBondContact O-CA 3.42Å; N80-K83 WeakPolarHBondContact O-CB 3.26Å; N80-K83 PolarHBondContact O-N 3Å; N80-M84 HydrophobicContact CB-CG 4.39Å; N80-M84 WeakPolarHBondContact O-CG 3.2Å; N80-M84 PolarHBondContact O-N 2.62Å; N80-M84 VanDerWaalsContact O-N 3.11Å; N80-M116 PolarHBondContact ND2-O 2.86Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.45Å; N80-D118 PolarHBondContact OD1-N 3.26Å
81Y98.4Very high98Very high18 Ų1844.2 Ų44.27%0.07120%0.196CC..Hα-helixtrans-55.3-44.5-17086.4-79.7000113.8I78 K83 M84 Q85 Y92 N95 D97 M248I78-Y81 WeakPolarHBondContact O-CB 3.24Å; I78-Y81 VanDerWaalsContact O-CD1 3.32Å; I78-Y81 WeakPolarHBondContact O-CD1 3.45Å; I78-Y81 PolarHBondContact O-N 3.35Å; I78-Y81 VanDerWaalsContact O-N 3.08Å; Y81-K83 PolarHBondContact O-N 2.93Å; Y81-M84 PolarHBondContact O-N 3.38Å; Y81-Q85 VanDerWaalsContact O-CB 3.26Å; Y81-Q85 WeakPolarHBondContact O-CB 3.45Å; Y81-Q85 PolarHBondContact O-N 3.15Å; Y81-Y92 HydrophobicContact CD2-CE2 4.03Å; Y81-Y92 HydrophobicContact CE2-CE2 4.44Å; Y81-N95 PolarHBondContact OH-O 3.19Å; Y81-D97 WeakPolarHBondContact CB-O 3.43Å; Y81-D97 HydrophobicContact CD1-CB 3.47Å; Y81-D97 VanDerWaalsContact CD1-CB 3.47Å; Y81-D97 HydrophobicContact CD2-CB 4.24Å; Y81-D97 HydrophobicContact CE1-CB 3.75Å; Y81-D97 HydrophobicContact CE2-CB 4.47Å; Y81-D97 HydrophobicContact CG-CB 3.7Å; Y81-M248 HydrophobicContact CD1-CE 4.45Å; Y81-M248 HydrophobicContact CD1-SD 3.51Å; Y81-M248 VanDerWaalsContact CD1-SD 3.51Å; Y81-M248 HydrophobicContact CE1-CE 4.45Å; Y81-M248 HydrophobicContact CE1-CG 4.14Å; Y81-M248 HydrophobicContact CE1-SD 3.33Å; Y81-M248 WeakPolarHBondContact CE1-SD 3.01Å
82K97.4Very high97.9Very high76 Ų7645.4 Ų45.433%0.3320%0.201SC..Hα-helixtrans-63.6-28.3178-76.3-53.1-168.2-160.80113.3N80 Q85 R86N80-K82 PolarHBondContact O-N 3.34Å; K82-Q85 VanDerWaalsContact CD-OE1 3.31Å; K82-R86 WeakPolarHBondContact O-CG 3.5Å; K82-R86 PolarHBondContact O-N 2.83Å; K82-R86 PolarHBondContact O-NE 2.71Å; K82-R86 VanDerWaalsContact O-NE 3.07Å
83K95.5Very high97.9Very high48 Ų4850.5 Ų50.521%0.20923%0.225CC..Hα-helixtrans-74.7-46.7177.6-170.7169.6-156.8174.80110.5N80 Y81 R86 H87 Y216 D217N80-K83 WeakPolarHBondContact O-CA 3.42Å; N80-K83 WeakPolarHBondContact O-CB 3.26Å; N80-K83 PolarHBondContact O-N 3Å; Y81-K83 PolarHBondContact O-N 2.93Å; K83-R86 PolarHBondContact O-N 3.26Å; K83-H87 WeakPolarHBondContact O-CB 3.32Å; K83-H87 PolarHBondContact O-N 3.05Å; K83-Y216 WeakPolarHBondContact CD-O 3.32Å; K83-Y216 WeakPolarHBondContact CE-O 3.28Å; K83-Y216 PolarHBondContact NZ-O 3.27Å; K83-D217 IonicContact NZ-OD1 2.67Å; K83-D217 PolarHBondContact NZ-OD1 3.27Å
84M96.4Very high97.9Very high1 Ų151 Ų511%0.00523%0.228CC..Hα-helixtrans-63.7-44.8177.8-57.9-63.1-81.700110.9N80 Y81 R86 H87 F88 I100 L104 M116 Y216N80-M84 HydrophobicContact CB-CG 4.39Å; N80-M84 WeakPolarHBondContact O-CG 3.2Å; N80-M84 PolarHBondContact O-N 2.62Å; N80-M84 VanDerWaalsContact O-N 3.11Å; Y81-M84 PolarHBondContact O-N 3.38Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.76Å; M84-H87 PolarHBondContact O-N 2.67Å; M84-F88 HydrophobicContact CE-CE2 3.83Å; M84-F88 VanDerWaalsContact O-CD2 3.31Å; M84-F88 WeakPolarHBondContact O-CD2 3.37Å; M84-F88 PolarHBondContact O-N 3.36Å; M84-F88 HydrophobicContact SD-CE2 4.37Å; M84-I100 HydrophobicContact CB-CD1 3.61Å; M84-I100 HydrophobicContact CB-CG1 3.95Å; M84-L104 HydrophobicContact CE-CD1 4.21Å; M84-L104 HydrophobicContact CE-CD2 4.17Å; M84-M116 HydrophobicContact CE-CB 3.68Å; M84-M116 HydrophobicContact CE-CE 3.27Å; M84-M116 HydrophobicContact CE-CG 4.14Å; M84-M116 HydrophobicContact CE-SD 4.27Å; M84-Y216 HydrophobicContact CE-CD2 4.41Å; M84-Y216 HydrophobicContact SD-CD2 4.25Å; M84-Y216 HydrophobicContact SD-CG 4.04Å
85Q97.7Very high97.8Very high34 Ų3454.9 Ų54.916%0.15925%0.249CC..Hα-helixtrans-51.9-50.1173.7-177.7-176.414.500111.6Y81 K82 E89 F90 Y92Y81-Q85 VanDerWaalsContact O-CB 3.26Å; Y81-Q85 WeakPolarHBondContact O-CB 3.45Å; Y81-Q85 PolarHBondContact O-N 3.15Å; K82-Q85 VanDerWaalsContact CD-OE1 3.31Å; Q85-E89 WeakPolarHBondContact O-CA 3.36Å; Q85-E89 PolarHBondContact O-N 3.1Å; Q85-F90 HydrophobicContact CG-CB 4.4Å; Q85-F90 WeakPolarHBondContact CG-O 3.47Å; Q85-F90 PolarHBondContact NE2-O 3.38Å; Q85-F90 PolarHBondContact O-N 3.01Å; Q85-Y92 HydrophobicContact CB-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CD1 3.89Å; Q85-Y92 HydrophobicContact CG-CE1 3.57Å; Q85-Y92 HydrophobicContact CG-CG 4.49Å
86R96.9Very high97.8Very high181 Ų18155 Ų5568%0.68325%0.249SC*.Hα-helixtrans-69.4-42.9-179.7-74.7-178.5-67.1172.9-2.9112.7K82 K83 M84 F88 E89K82-R86 WeakPolarHBondContact O-CG 3.5Å; K82-R86 PolarHBondContact O-N 2.83Å; K82-R86 PolarHBondContact O-NE 2.71Å; K82-R86 VanDerWaalsContact O-NE 3.07Å; K83-R86 PolarHBondContact O-N 3.26Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.76Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.01Å; R86-E89 PolarHBondContact O-N 3.38Å
87H95.6Very high97.8Very high110 Ų11054.7 Ų54.751%0.50925%0.247SC..Hα-helixtrans-63.4-40.5-178.2179.482.9000112.3K83 M84 Y216K83-H87 WeakPolarHBondContact O-CB 3.32Å; K83-H87 PolarHBondContact O-N 3.05Å; M84-H87 PolarHBondContact O-N 2.67Å; H87-Y216 AromaticContact CD2-CD1 3.73Å; H87-Y216 AromaticContact CD2-CE1 3.63Å; H87-Y216 AromaticContact CE1-CD1 3.99Å; H87-Y216 AromaticContact CG-CD1 3.99Å; H87-Y216 AromaticContact NE2-CD1 3.73Å; H87-Y216 AromaticContact NE2-CE1 3.39Å; H87-Y216 WeakPolarHBondContact NE2-CE1 3.2Å
88F97Very high97.8Very high42 Ų4254.4 Ų54.418%0.18425%0.245CC..THydrogen-bonded Turntrans-94.73.7179-65.8-66.8000113.9M84 R86 F90 L104 K107 M116 Y216M84-F88 HydrophobicContact CE-CE2 3.83Å; M84-F88 VanDerWaalsContact O-CD2 3.31Å; M84-F88 WeakPolarHBondContact O-CD2 3.37Å; M84-F88 PolarHBondContact O-N 3.36Å; M84-F88 HydrophobicContact SD-CE2 4.37Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.01Å; F88-F90 HydrophobicContact CB-CD1 4.07Å; F88-F90 HydrophobicContact CB-CD2 3.66Å; F88-F90 HydrophobicContact CB-CE1 3.79Å; F88-F90 HydrophobicContact CB-CE2 3.36Å; F88-F90 HydrophobicContact CB-CG 4.01Å; F88-F90 HydrophobicContact CB-CZ 3.44Å; F88-F90 VanDerWaalsContact CB-CZ 3.44Å; F88-F90 AromaticContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CZ 4.25Å; F88-F90 AromaticContact CG-CE2 3.81Å; F88-F90 HydrophobicContact CG-CE2 3.81Å; F88-F90 AromaticContact CG-CZ 3.87Å; F88-F90 HydrophobicContact CG-CZ 3.87Å; F88-F90 PolarHBondContact O-N 3.25Å; F88-L104 HydrophobicContact CD2-CD2 4.22Å; F88-L104 HydrophobicContact CE2-CD2 4.15Å; F88-K107 HydrophobicContact CD1-CD 4.13Å; F88-K107 HydrophobicContact CE1-CD 4.45Å; F88-M116 HydrophobicContact CE2-CE 3.47Å; F88-M116 VanDerWaalsContact CE2-CE 3.47Å; F88-M116 HydrophobicContact CZ-CE 3.43Å; F88-M116 VanDerWaalsContact CZ-CE 3.43Å; F88-Y216 HydrophobicContact CE2-CE1 4.26Å; F88-Y216 AromaticContact CZ-CE1 3.74Å; F88-Y216 HydrophobicContact CZ-CE1 3.74Å; F88-Y216 AromaticContact CZ-CZ 3.9Å
89E98.1Very high97.8Very high176 Ų17654.4 Ų54.482%0.82225%0.245SC*.THydrogen-bonded Turntrans52.341-179.7-58.2179.8-172.600113.1Q85 R86 E91Q85-E89 WeakPolarHBondContact O-CA 3.36Å; Q85-E89 PolarHBondContact O-N 3.1Å; R86-E89 PolarHBondContact O-N 3.38Å; E89-E91 PolarHBondContact O-N 3.27Å
90F98.5Very high97.8Very high22 Ų2253.6 Ų53.610%0.09624%0.242CC..PPolyproline II helixtrans-75.3123.8-179.5-65.7-44.7000111.7Q85 F88 Y92 I100 H103 L104 K107Q85-F90 HydrophobicContact CG-CB 4.4Å; Q85-F90 WeakPolarHBondContact CG-O 3.47Å; Q85-F90 PolarHBondContact NE2-O 3.38Å; Q85-F90 PolarHBondContact O-N 3.01Å; F88-F90 HydrophobicContact CB-CD1 4.07Å; F88-F90 HydrophobicContact CB-CD2 3.66Å; F88-F90 HydrophobicContact CB-CE1 3.79Å; F88-F90 HydrophobicContact CB-CE2 3.36Å; F88-F90 HydrophobicContact CB-CG 4.01Å; F88-F90 HydrophobicContact CB-CZ 3.44Å; F88-F90 VanDerWaalsContact CB-CZ 3.44Å; F88-F90 AromaticContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CZ 4.25Å; F88-F90 AromaticContact CG-CE2 3.81Å; F88-F90 HydrophobicContact CG-CE2 3.81Å; F88-F90 AromaticContact CG-CZ 3.87Å; F88-F90 HydrophobicContact CG-CZ 3.87Å; F88-F90 PolarHBondContact O-N 3.25Å; F90-Y92 HydrophobicContact CB-CD1 4.03Å; F90-Y92 HydrophobicContact CB-CE1 3.66Å; F90-I100 HydrophobicContact CD2-CD1 3.71Å; F90-I100 HydrophobicContact CE2-CD1 3.9Å; F90-H103 HydrophobicContact CB-CB 4.32Å; F90-H103 HydrophobicContact CD1-CB 3.9Å; F90-H103 AromaticContact CD1-ND1 3.97Å; F90-H103 HydrophobicContact CD2-CB 3.61Å; F90-H103 HydrophobicContact CE1-CB 3.99Å; F90-H103 HydrophobicContact CE2-CB 3.7Å; F90-H103 HydrophobicContact CG-CB 3.7Å; F90-H103 AromaticContact CG-CG 3.9Å; F90-H103 AromaticContact CG-ND1 3.98Å; F90-H103 HydrophobicContact CZ-CB 3.88Å; F90-L104 HydrophobicContact CE2-CD2 3.98Å; F90-L104 HydrophobicContact CE2-CG 4.4Å; F90-L104 HydrophobicContact CZ-CD2 4.36Å; F90-K107 HydrophobicContact CE1-CD 4.19Å; F90-K107 HydrophobicContact CZ-CB 4.44Å; F90-K107 HydrophobicContact CZ-CD 3.79Å
91E98.3Very high97.9Very high160 Ų16052.8 Ų52.875%0.74824%0.238SC*.PPolyproline II helixtrans-80.8117.5170.3-174.2-178.6-166.700110.3E89 H103E89-E91 PolarHBondContact O-N 3.27Å; E91-H103 PolarHBondContact O-CE1 3.45Å
92Y98.5Very high97.9Very high32 Ų3251.9 Ų51.913%0.12523%0.234CC..PPolyproline II helixtrans-96.1152.1-177.3-80.327.9000112Y81 Q85 F90 T94 E99 I100 H103Y81-Y92 HydrophobicContact CD2-CE2 4.03Å; Y81-Y92 HydrophobicContact CE2-CE2 4.44Å; Q85-Y92 HydrophobicContact CB-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CD1 3.89Å; Q85-Y92 HydrophobicContact CG-CE1 3.57Å; Q85-Y92 HydrophobicContact CG-CG 4.49Å; F90-Y92 HydrophobicContact CB-CD1 4.03Å; F90-Y92 HydrophobicContact CB-CE1 3.66Å; Y92-T94 WeakPolarHBondContact CB-O 3.49Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.45Å; Y92-E99 HydrophobicContact CD2-CB 4Å; Y92-E99 HydrophobicContact CD2-CG 4.12Å; Y92-E99 HydrophobicContact CE2-CB 3.93Å; Y92-E99 HydrophobicContact CE2-CG 4.31Å; Y92-E99 HydrophobicContact CG-CG 4.35Å; Y92-I100 WeakPolarHBondContact OH-CA 3.38Å; Y92-I100 WeakPolarHBondContact OH-CB 3.46Å; Y92-I100 WeakPolarHBondContact OH-CD1 3.27Å; Y92-I100 WeakPolarHBondContact OH-CG1 3.35Å; Y92-I100 PolarHBondContact OH-N 2.82Å; Y92-H103 AromaticContact CD1-CD2 3.69Å; Y92-H103 AromaticContact CD1-NE2 3.38Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.23Å; Y92-H103 AromaticContact CE1-CD2 3.38Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.24Å; Y92-H103 AromaticContact CE1-NE2 3.61Å
93Q98.7Very high98Very high106 Ų10648.3 Ų48.350%0.49522%0.219SC..SBendtrans-93.6-31.6169.5-168.9-178.3-72.300112.5V64 E99V64-Q93 HydrophobicContact CB-CB 4.14Å; V64-Q93 HydrophobicContact CG1-CB 3.97Å; Q93-E99 PolarHBondContact N-OE1 3.05Å; Q93-E99 PolarHBondContact N-OE2 3.32Å
94T98.2Very high98.1Very high11 Ų1146.3 Ų46.37%0.06721%0.21CC..SBendtrans-113.6178.5178.676.40000110.4F57 Y92 V96 E99F57-T94 HydrophobicContact CB-CG2 4.35Å; F57-T94 WeakPolarHBondContact O-CG2 3.21Å; Y92-T94 WeakPolarHBondContact CB-O 3.49Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.37Å; T94-V96 PolarHBondContact OG1-N 3.09Å; T94-E99 WeakPolarHBondContact CA-OE2 3.5Å; T94-E99 VanDerWaalsContact CB-OE2 3.25Å; T94-E99 WeakPolarHBondContact CB-OE2 3.29Å; T94-E99 PolarHBondContact N-OE2 3.14Å; T94-E99 PolarHBondContact OG1-OE2 2.66Å
95N97.9Very high98.3Very high86 Ų8647.3 Ų47.346%0.4621%0.214SC..  trans-110.57.3170.3-65-61.4000112.6D54 Y81D54-N95 HydrophobicContact CB-CB 3.82Å; D54-N95 WeakPolarHBondContact OD2-CA 3.24Å; D54-N95 PolarHBondContact OD2-N 2.91Å; Y81-N95 PolarHBondContact OH-O 3.19Å
96V98.6Very high98.3Very high3 Ų348.9 Ų48.92%0.01822%0.224CC..  trans-74.2139.6178.883.40000110.3D54 I62 T94 G98 E99D54-V96 HydrophobicContact CB-CB 4.25Å; D54-V96 PolarHBondContact OD2-N 3.03Å; I62-V96 HydrophobicContact CD1-CG1 3.65Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.37Å; T94-V96 PolarHBondContact OG1-N 3.09Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.16Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.33Å
97D98.8Very high98.4Very high1 Ų146.5 Ų46.51%0.00522%0.218CC..THydrogen-bonded Turntrans-60.4-37.6-176.356.4-69.8000112.5Y74 E77 I78 Y81 E99 I100 M248Y74-D97 PolarHBondContact OH-OD1 2.96Å; Y74-D97 PolarHBondContact OH-OD2 3.49Å; E77-D97 WeakPolarHBondContact CA-OD2 3.36Å; I78-D97 HydrophobicContact CB-CB 4.39Å; I78-D97 PolarHBondContact N-OD2 2.93Å; Y81-D97 WeakPolarHBondContact CB-O 3.43Å; Y81-D97 HydrophobicContact CD1-CB 3.47Å; Y81-D97 VanDerWaalsContact CD1-CB 3.47Å; Y81-D97 HydrophobicContact CD2-CB 4.24Å; Y81-D97 HydrophobicContact CE1-CB 3.75Å; Y81-D97 HydrophobicContact CE2-CB 4.47Å; Y81-D97 HydrophobicContact CG-CB 3.7Å; D97-E99 PolarHBondContact O-N 2.93Å; D97-I100 WeakPolarHBondContact O-CG2 3.35Å; D97-I100 PolarHBondContact O-N 3.13Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.25Å
98G98.8Very high98.4Very high0 Ų042.3 Ų42.30%021%0.205CC..THydrogen-bonded Turntrans-66.7-14.2-178.600000115.7L72 Y74 V96 I100 I101L72-G98 WeakPolarHBondContact CD2-O 3.3Å; Y74-G98 VanDerWaalsContact CZ-CA 3.4Å; Y74-G98 WeakPolarHBondContact OH-CA 3.5Å; Y74-G98 PolarHBondContact OH-N 2.8Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.16Å; G98-I100 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact O-N 3.16Å; G98-I101 WeakPolarHBondContact O-CB 3.45Å; G98-I101 PolarHBondContact O-N 3.41Å; G98-I101 VanDerWaalsContact O-N 3.08Å
99E98.9Very high98.5Very high1 Ų141.7 Ų41.71%0.00521%0.21CC..Hα-helixtrans-59.6-27.6174.9-175.7175.4155.500111.6V64 Y92 Q93 T94 V96 D97 I101 L102 H103V64-E99 HydrophobicContact CG1-CG 4.15Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.45Å; Y92-E99 HydrophobicContact CD2-CB 4Å; Y92-E99 HydrophobicContact CD2-CG 4.12Å; Y92-E99 HydrophobicContact CE2-CB 3.93Å; Y92-E99 HydrophobicContact CE2-CG 4.31Å; Y92-E99 HydrophobicContact CG-CG 4.35Å; Q93-E99 PolarHBondContact N-OE1 3.05Å; Q93-E99 PolarHBondContact N-OE2 3.32Å; T94-E99 WeakPolarHBondContact CA-OE2 3.5Å; T94-E99 VanDerWaalsContact CB-OE2 3.25Å; T94-E99 WeakPolarHBondContact CB-OE2 3.29Å; T94-E99 PolarHBondContact N-OE2 3.14Å; T94-E99 PolarHBondContact OG1-OE2 2.66Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.33Å; D97-E99 PolarHBondContact O-N 2.93Å; E99-I101 PolarHBondContact O-N 3.16Å; E99-I101 VanDerWaalsContact O-N 3.11Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 3.3Å; E99-H103 PolarHBondContact O-CD2 3.23Å; E99-H103 PolarHBondContact O-N 3.26Å; E99-H103 IonicContact OE1-CD2 3.19Å; E99-H103 IonicContact OE1-CE1 2.78Å; E99-H103 IonicContact OE1-NE2 3.36Å; E99-H103 PolarHBondContact OE1-NE2 2.89Å
100I98.8Very high98.5Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-54.8-31.8175.9-167.357.8000113.2I78 M84 F90 Y92 D97 G98 L102 H103 L104 L117I78-I100 HydrophobicContact CB-CG2 4.18Å; I78-I100 HydrophobicContact CG1-CG2 4.32Å; I78-I100 HydrophobicContact CG2-CG2 3.77Å; M84-I100 HydrophobicContact CB-CD1 3.61Å; M84-I100 HydrophobicContact CB-CG1 3.95Å; F90-I100 HydrophobicContact CD2-CD1 3.71Å; F90-I100 HydrophobicContact CE2-CD1 3.9Å; Y92-I100 WeakPolarHBondContact OH-CA 3.38Å; Y92-I100 WeakPolarHBondContact OH-CB 3.46Å; Y92-I100 WeakPolarHBondContact OH-CD1 3.27Å; Y92-I100 WeakPolarHBondContact OH-CG1 3.35Å; Y92-I100 PolarHBondContact OH-N 2.82Å; D97-I100 WeakPolarHBondContact O-CG2 3.35Å; D97-I100 PolarHBondContact O-N 3.13Å; G98-I100 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact O-N 3.16Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 2.87Å; I100-H103 PolarHBondContact O-N 2.96Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.07Å; I100-L104 HydrophobicContact CG1-CD1 3.76Å; I100-L104 HydrophobicContact CG1-CG 3.99Å; I100-L104 WeakPolarHBondContact O-CB 3.35Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.17Å; I100-L117 HydrophobicContact CG2-CD2 4.35Å
101I98.9Very high98.4Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-62.7-38.7-180-62.1172.8000109.8L72 Y74 I78 G98 E99 Y105 T113 L117 F123L72-I101 HydrophobicContact CD1-CG2 4.19Å; L72-I101 HydrophobicContact CD2-CB 3.8Å; L72-I101 HydrophobicContact CD2-CD1 4.23Å; L72-I101 HydrophobicContact CD2-CG2 4.07Å; Y74-I101 HydrophobicContact CD2-CD1 4.38Å; Y74-I101 HydrophobicContact CG-CD1 4.49Å; I78-I101 HydrophobicContact CD1-CD1 4.35Å; I78-I101 HydrophobicContact CG1-CD1 4.36Å; G98-I101 WeakPolarHBondContact O-CB 3.45Å; G98-I101 PolarHBondContact O-N 3.41Å; G98-I101 VanDerWaalsContact O-N 3.08Å; E99-I101 PolarHBondContact O-N 3.16Å; E99-I101 VanDerWaalsContact O-N 3.11Å; I101-Y105 WeakPolarHBondContact O-CB 3.38Å; I101-Y105 PolarHBondContact O-N 3.11Å; I101-T113 HydrophobicContact CG2-CG2 4.11Å; I101-L117 HydrophobicContact CD1-CD1 4.24Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.1Å; I101-F123 HydrophobicContact CD1-CD1 4.49Å
102L98.9Very high98.2Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-66.4-46.4177.8-61.4-178.8000111.6I62 V64 Y67 L70 L72 E99 I100 Y105 D106 L125I62-L102 HydrophobicContact CB-CD1 4.43Å; I62-L102 HydrophobicContact CG2-CD1 3.76Å; V64-L102 HydrophobicContact CG1-CD1 4.17Å; V64-L102 HydrophobicContact CG2-CD1 3.95Å; Y67-L102 HydrophobicContact CD2-CB 4.03Å; Y67-L102 HydrophobicContact CE2-CB 4.35Å; L70-L102 HydrophobicContact CB-CD2 3.95Å; L70-L102 HydrophobicContact CD1-CD2 4.16Å; L72-L102 HydrophobicContact CB-CD2 3.71Å; L72-L102 HydrophobicContact CB-CG 4.37Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.09Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 3.3Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 2.87Å; L102-Y105 PolarHBondContact O-N 3.4Å; L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.45Å; L102-L125 HydrophobicContact CD2-CD1 3.75Å
103H98.9Very high98.2Very high1 Ų134 Ų341%0.00518%0.176CC..Hα-helixtrans-66.5-41.9-179.3-68.8-82.3000112.4Y67 F90 E91 Y92 E99 I100 K107Y67-H103 AromaticContact CE2-CE1 3.83Å; Y67-H103 AromaticContact CE2-ND1 3.59Å; Y67-H103 AromaticContact CZ-ND1 3.85Å; Y67-H103 PolarHBondContact OH-ND1 3.22Å; F90-H103 HydrophobicContact CB-CB 4.32Å; F90-H103 HydrophobicContact CD1-CB 3.9Å; F90-H103 AromaticContact CD1-ND1 3.97Å; F90-H103 HydrophobicContact CD2-CB 3.61Å; F90-H103 HydrophobicContact CE1-CB 3.99Å; F90-H103 HydrophobicContact CE2-CB 3.7Å; F90-H103 HydrophobicContact CG-CB 3.7Å; F90-H103 AromaticContact CG-CG 3.9Å; F90-H103 AromaticContact CG-ND1 3.98Å; F90-H103 HydrophobicContact CZ-CB 3.88Å; E91-H103 PolarHBondContact O-CE1 3.45Å; Y92-H103 AromaticContact CD1-CD2 3.69Å; Y92-H103 AromaticContact CD1-NE2 3.38Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.23Å; Y92-H103 AromaticContact CE1-CD2 3.38Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.24Å; Y92-H103 AromaticContact CE1-NE2 3.61Å; E99-H103 PolarHBondContact O-CD2 3.23Å; E99-H103 PolarHBondContact O-N 3.26Å; E99-H103 IonicContact OE1-CD2 3.19Å; E99-H103 IonicContact OE1-CE1 2.78Å; E99-H103 IonicContact OE1-NE2 3.36Å; E99-H103 PolarHBondContact OE1-NE2 2.89Å; I100-H103 PolarHBondContact O-N 2.96Å; H103-K107 WeakPolarHBondContact O-CB 3.49Å; H103-K107 PolarHBondContact O-N 3.13Å
104L98.7Very high98.2Very high6 Ų629 Ų293%0.03115%0.153CC..Hα-helixtrans-67.1-41.5176.1-70.9175.5000111.4M84 F88 F90 I100 K107 G108 T113 M116 L117M84-L104 HydrophobicContact CE-CD1 4.21Å; M84-L104 HydrophobicContact CE-CD2 4.17Å; F88-L104 HydrophobicContact CD2-CD2 4.22Å; F88-L104 HydrophobicContact CE2-CD2 4.15Å; F90-L104 HydrophobicContact CE2-CD2 3.98Å; F90-L104 HydrophobicContact CE2-CG 4.4Å; F90-L104 HydrophobicContact CZ-CD2 4.36Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.07Å; I100-L104 HydrophobicContact CG1-CD1 3.76Å; I100-L104 HydrophobicContact CG1-CG 3.99Å; I100-L104 WeakPolarHBondContact O-CB 3.35Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.17Å; L104-K107 PolarHBondContact O-N 2.85Å; L104-G108 PolarHBondContact O-N 3.08Å; L104-T113 HydrophobicContact CB-CG2 3.71Å; L104-T113 WeakPolarHBondContact CB-OG1 3.2Å; L104-T113 HydrophobicContact CD1-CG2 4.4Å; L104-T113 PolarHBondContact O-OG1 2.88Å; L104-M116 HydrophobicContact CD1-CB 4.15Å; L104-M116 HydrophobicContact CD2-CE 4.06Å; L104-M116 HydrophobicContact CD2-SD 4.19Å; L104-L117 HydrophobicContact CD1-CD2 4.08Å
105Y98.8Very high98.1Very high22 Ų2229.7 Ų29.79%0.08616%0.158CC..Hα-helixtrans-63.6-48.4-179.8169.9-94.6000111.5L70 I101 L102 K107 G108 G109 I110 T113 L125 D127 F134L70-Y105 HydrophobicContact CD1-CD1 3.76Å; L70-Y105 HydrophobicContact CD1-CE1 4.19Å; L70-Y105 HydrophobicContact CD2-CD1 4.02Å; L70-Y105 HydrophobicContact CD2-CE1 3.62Å; I101-Y105 WeakPolarHBondContact O-CB 3.38Å; I101-Y105 PolarHBondContact O-N 3.11Å; L102-Y105 PolarHBondContact O-N 3.4Å; Y105-K107 PolarHBondContact O-N 3.01Å; Y105-G108 PolarHBondContact O-N 3.17Å; Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 3.07Å; Y105-I110 HydrophobicContact CD2-CB 4.29Å; Y105-I110 HydrophobicContact CD2-CD1 4.35Å; Y105-I110 HydrophobicContact CE2-CB 4.38Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.2Å; Y105-T113 PolarHBondContact N-OG1 3.36Å; Y105-L125 HydrophobicContact CD1-CD2 3.95Å; Y105-L125 HydrophobicContact CD2-CD2 3.6Å; Y105-L125 HydrophobicContact CE1-CD2 4.36Å; Y105-L125 HydrophobicContact CE2-CD2 4.04Å; Y105-L125 HydrophobicContact CG-CD2 3.56Å; Y105-D127 HydrophobicContact CE1-CB 4.27Å; Y105-D127 VanDerWaalsContact CE1-OD2 3.31Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.48Å; Y105-D127 PolarHBondContact OH-OD2 3.43Å; Y105-F134 HydrophobicContact CD2-CE2 4.46Å; Y105-F134 AromaticContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CE1 4.38Å; Y105-F134 AromaticContact CE2-CE2 3.38Å; Y105-F134 HydrophobicContact CE2-CE2 3.38Å; Y105-F134 AromaticContact CE2-CZ 3.59Å; Y105-F134 HydrophobicContact CE2-CZ 3.59Å; Y105-F134 AromaticContact CZ-CE2 3.54Å; Y105-F134 AromaticContact CZ-CZ 3.95Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.4Å
106D98.7Very high98Very high67 Ų6726.2 Ų26.236%0.35814%0.139SC..Hα-helixtrans-61.7-33.2178-176.281.8000111.9Y67 Y69 L102Y67-D106 HydrophobicContact CD1-CB 4Å; Y67-D106 HydrophobicContact CE1-CB 3.57Å; Y67-D106 WeakPolarHBondContact CE1-OD2 3.43Å; Y67-D106 HydrophobicContact CE2-CB 4.49Å; Y69-D106 PolarHBondContact OH-OD1 3.39Å; L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.45Å
107K98.1Very high98Very high130 Ų13026.2 Ų26.257%0.56514%0.139SC*.Hα-helixtrans-75.6-41.2178.6-175.2-177.6176.776.20113.8F88 F90 H103 L104 Y105F88-K107 HydrophobicContact CD1-CD 4.13Å; F88-K107 HydrophobicContact CE1-CD 4.45Å; F90-K107 HydrophobicContact CE1-CD 4.19Å; F90-K107 HydrophobicContact CZ-CB 4.44Å; F90-K107 HydrophobicContact CZ-CD 3.79Å; H103-K107 WeakPolarHBondContact O-CB 3.49Å; H103-K107 PolarHBondContact O-N 3.13Å; L104-K107 PolarHBondContact O-N 2.85Å; Y105-K107 PolarHBondContact O-N 3.01Å
108G96.3Very high97.9Very high23 Ų2326.4 Ų26.424%0.23714%0.14CC..Hα-helixtrans-139.72.2-16200000116.2L104 Y105 Q112L104-G108 PolarHBondContact O-N 3.08Å; Y105-G108 PolarHBondContact O-N 3.17Å; G108-Q112 VanDerWaalsContact O-CD 3.31Å; G108-Q112 WeakPolarHBondContact O-CG 3.47Å; G108-Q112 PolarHBondContact O-OE1 3.22Å
109G98.4Very high97.9Very high28 Ų2826.5 Ų26.529%0.28914%0.141SC..Hα-helixtrans73.6-178.8-175.400000113.7Y105 T113Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 3.07Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.37Å; G109-T113 PolarHBondContact O-OG1 3.28Å
110I98.6Very high97.9Very high14 Ų1426.7 Ų26.77%0.07214%0.142CC..Hα-helixtrans-69.5-40.1-167.3-166.262.7000113.7Y105 T113 I114 F123 L125 F134 Y185 V187Y105-I110 HydrophobicContact CD2-CB 4.29Å; Y105-I110 HydrophobicContact CD2-CD1 4.35Å; Y105-I110 HydrophobicContact CE2-CB 4.38Å; I110-T113 WeakPolarHBondContact O-CB 3.36Å; I110-T113 PolarHBondContact O-N 3.35Å; I110-I114 WeakPolarHBondContact O-CG2 3.37Å; I110-I114 PolarHBondContact O-N 2.76Å; I110-F123 HydrophobicContact CD1-CE2 3.88Å; I110-F123 HydrophobicContact CD1-CZ 3.78Å; I110-L125 HydrophobicContact CD1-CD2 4.38Å; I110-F134 HydrophobicContact CB-CD1 3.69Å; I110-F134 HydrophobicContact CB-CE1 3.84Å; I110-F134 HydrophobicContact CB-CG 4.27Å; I110-F134 HydrophobicContact CD1-CB 3.84Å; I110-F134 HydrophobicContact CD1-CD1 4.22Å; I110-F134 HydrophobicContact CD1-CG 3.99Å; I110-F134 HydrophobicContact CG1-CB 4.03Å; I110-F134 HydrophobicContact CG1-CD1 3.66Å; I110-F134 HydrophobicContact CG1-CE1 4.34Å; I110-F134 HydrophobicContact CG1-CG 3.96Å; I110-F134 HydrophobicContact CG2-CD1 3.75Å; I110-F134 HydrophobicContact CG2-CE1 3.71Å; I110-Y185 HydrophobicContact CG1-CD2 4.24Å; I110-Y185 HydrophobicContact CG1-CG 4.46Å; I110-Y185 HydrophobicContact CG2-CD2 3.84Å; I110-Y185 HydrophobicContact CG2-CE2 3.68Å; I110-V187 HydrophobicContact CG2-CG2 4.25Å
111E96.9Very high97.9Very high104 Ų10426.7 Ų26.749%0.48614%0.142SC..Hα-helixtrans-67-49.3-175.6-177.6170.1-113.100111.6T113 I114 C115 Y185E111-T113 VanDerWaalsContact C-N 3.25Å; E111-T113 PolarHBondContact O-N 2.97Å; E111-I114 WeakPolarHBondContact O-CG2 3.48Å; E111-I114 PolarHBondContact O-N 2.86Å; E111-C115 WeakPolarHBondContact O-CB 3.42Å; E111-C115 PolarHBondContact O-N 3.23Å; E111-C115 PolarHBondContact O-SG 3.24Å; E111-Y185 HydrophobicContact CB-CE1 4.19Å; E111-Y185 HydrophobicContact CG-CE1 4.16Å; E111-Y185 PolarHBondContact OE1-OH 3.02Å; E111-Y185 VanDerWaalsContact OE1-OH 3.05Å
112Q94.6Very high97.9Very high112 Ų11226.7 Ų26.752%0.52314%0.142SC..Hα-helixtrans-60.9-40.8176.2-63.5-176.2-1.100110.6G108 M116G108-Q112 VanDerWaalsContact O-CD 3.31Å; G108-Q112 WeakPolarHBondContact O-CG 3.47Å; G108-Q112 PolarHBondContact O-OE1 3.22Å; Q112-M116 WeakPolarHBondContact O-CB 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.39Å; Q112-M116 PolarHBondContact O-N 3.46Å; Q112-M116 VanDerWaalsContact O-SD 3.34Å
113T98.3Very high97.9Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-59.8-56.5178.6-62.50000111.9I101 L104 Y105 G109 I110 E111 C115 M116 L117I101-T113 HydrophobicContact CG2-CG2 4.11Å; L104-T113 HydrophobicContact CB-CG2 3.71Å; L104-T113 WeakPolarHBondContact CB-OG1 3.2Å; L104-T113 HydrophobicContact CD1-CG2 4.4Å; L104-T113 PolarHBondContact O-OG1 2.88Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.2Å; Y105-T113 PolarHBondContact N-OG1 3.36Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.37Å; G109-T113 PolarHBondContact O-OG1 3.28Å; I110-T113 WeakPolarHBondContact O-CB 3.36Å; I110-T113 PolarHBondContact O-N 3.35Å; E111-T113 VanDerWaalsContact C-N 3.25Å; E111-T113 PolarHBondContact O-N 2.97Å; T113-C115 VanDerWaalsContact C-N 3.31Å; T113-C115 PolarHBondContact O-N 2.78Å; T113-M116 WeakPolarHBondContact O-CB 2.75Å; T113-M116 PolarHBondContact O-N 2.82Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å
114I98Very high97.9Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-66.4-34.8-171.2-160.9171.1000112I110 E111 M116 L117 F121 F123 Y185 Y204I110-I114 WeakPolarHBondContact O-CG2 3.37Å; I110-I114 PolarHBondContact O-N 2.76Å; E111-I114 WeakPolarHBondContact O-CG2 3.48Å; E111-I114 PolarHBondContact O-N 2.86Å; I114-M116 PolarHBondContact O-N 3.3Å; I114-L117 PolarHBondContact O-N 2.99Å; I114-F121 HydrophobicContact CD1-CE2 3.97Å; I114-F121 HydrophobicContact CD1-CZ 4.4Å; I114-F121 HydrophobicContact CG1-CE2 3.78Å; I114-F121 HydrophobicContact CG1-CZ 3.77Å; I114-F123 HydrophobicContact CD1-CE1 4.01Å; I114-F123 HydrophobicContact CD1-CZ 4.11Å; I114-F123 HydrophobicContact CG1-CE1 4.24Å; I114-Y185 HydrophobicContact CG2-CD1 3.81Å; I114-Y185 HydrophobicContact CG2-CE1 4.33Å; I114-Y204 HydrophobicContact CD1-CD1 3.63Å; I114-Y204 HydrophobicContact CD1-CE1 3.42Å; I114-Y204 VanDerWaalsContact CD1-CE1 3.42Å; I114-Y204 HydrophobicContact CD1-CG 4.42Å; I114-Y204 HydrophobicContact CG1-CD1 3.97Å; I114-Y204 HydrophobicContact CG1-CD2 4.44Å; I114-Y204 HydrophobicContact CG1-CE1 3.68Å; I114-Y204 HydrophobicContact CG1-CE2 4.22Å; I114-Y204 HydrophobicContact CG1-CG 4.35Å; I114-Y204 HydrophobicContact CG2-CD1 4Å; I114-Y204 HydrophobicContact CG2-CD2 4.06Å; I114-Y204 HydrophobicContact CG2-CG 3.74Å
115C96.2Very high97.9Very high25 Ų2526.3 Ų26.317%0.16914%0.14CC..Hα-helixtrans-67.3-20.4174.9-68.20000113.5E111 T113 L212E111-C115 WeakPolarHBondContact O-CB 3.42Å; E111-C115 PolarHBondContact O-N 3.23Å; E111-C115 PolarHBondContact O-SG 3.24Å; T113-C115 VanDerWaalsContact C-N 3.31Å; T113-C115 PolarHBondContact O-N 2.78Å; C115-L212 HydrophobicContact CB-CB 4.11Å; C115-L212 HydrophobicContact CB-CD2 3.77Å
116M96.6Very high97.9Very high14 Ų1425.3 Ų25.37%0.06914%0.136CC..THydrogen-bonded Turntrans-92.1-4.3-178.5-73.6171.989.700113.9N80 M84 F88 L104 Q112 T113 I114 D118 L212 H213 Y216N80-M116 PolarHBondContact ND2-O 2.86Å; M84-M116 HydrophobicContact CE-CB 3.68Å; M84-M116 HydrophobicContact CE-CE 3.27Å; M84-M116 HydrophobicContact CE-CG 4.14Å; M84-M116 HydrophobicContact CE-SD 4.27Å; F88-M116 HydrophobicContact CE2-CE 3.47Å; F88-M116 VanDerWaalsContact CE2-CE 3.47Å; F88-M116 HydrophobicContact CZ-CE 3.43Å; F88-M116 VanDerWaalsContact CZ-CE 3.43Å; L104-M116 HydrophobicContact CD1-CB 4.15Å; L104-M116 HydrophobicContact CD2-CE 4.06Å; L104-M116 HydrophobicContact CD2-SD 4.19Å; Q112-M116 WeakPolarHBondContact O-CB 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.39Å; Q112-M116 PolarHBondContact O-N 3.46Å; Q112-M116 VanDerWaalsContact O-SD 3.34Å; T113-M116 WeakPolarHBondContact O-CB 2.75Å; T113-M116 PolarHBondContact O-N 2.82Å; I114-M116 PolarHBondContact O-N 3.3Å; M116-D118 PolarHBondContact O-N 2.76Å; M116-L212 HydrophobicContact CG-CD2 4.38Å; M116-H213 WeakPolarHBondContact O-CB 3.33Å; M116-Y216 HydrophobicContact CE-CD2 4.32Å; M116-Y216 HydrophobicContact CE-CE2 3.57Å
117L97.7Very high97.9Very high2 Ų222.2 Ų22.21%0.0112%0.12CC..  trans-84.7111.8-178.1-55-177.8000111.1I78 I100 I101 L104 T113 I114 G119 F121I78-L117 HydrophobicContact CD1-CB 4.36Å; I78-L117 HydrophobicContact CD1-CD1 4.19Å; I78-L117 HydrophobicContact CD1-CD2 4.45Å; I78-L117 HydrophobicContact CG2-CB 4.48Å; I78-L117 HydrophobicContact CG2-CD2 3.94Å; I100-L117 HydrophobicContact CG2-CD2 4.35Å; I101-L117 HydrophobicContact CD1-CD1 4.24Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.1Å; L104-L117 HydrophobicContact CD1-CD2 4.08Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å; I114-L117 PolarHBondContact O-N 2.99Å; L117-G119 PolarHBondContact O-N 2.95Å; L117-F121 HydrophobicContact CB-CD1 4.19Å; L117-F121 HydrophobicContact CB-CE1 3.48Å; L117-F121 VanDerWaalsContact CB-CE1 3.48Å; L117-F121 HydrophobicContact CB-CZ 4.02Å; L117-F121 HydrophobicContact CD1-CD1 4.04Å; L117-F121 HydrophobicContact CD1-CD2 4.42Å; L117-F121 HydrophobicContact CD1-CE1 3.68Å; L117-F121 HydrophobicContact CD1-CE2 4.08Å; L117-F121 HydrophobicContact CD1-CG 4.41Å; L117-F121 HydrophobicContact CD1-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE1 4.2Å; L117-F121 HydrophobicContact CG-CZ 4.42Å
118D97.9Very high98Very high5 Ų517.3 Ų17.33%0.02710%0.1CC..  trans-9191.9166.6-17215.1000108.6Y79 N80 M116 H213 K245 H423Y79-D118 WeakPolarHBondContact CB-O 3.34Å; Y79-D118 PolarHBondContact N-O 2.97Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.45Å; N80-D118 PolarHBondContact OD1-N 3.26Å; M116-D118 PolarHBondContact O-N 2.76Å; D118-H213 VanDerWaalsContact CB-CE1 3.42Å; D118-H213 WeakPolarHBondContact CB-CE1 3.4Å; D118-H213 IonicContact OD1-CE1 3.51Å; D118-H213 PolarHBondContact OD1-CE1 2.73Å; D118-H213 IonicContact OD1-NE2 3.54Å; D118-H213 IonicContact OD2-CE1 3.88Å; D118-K245 IonicContact OD1-NZ 3.59Å; D118-K245 WeakPolarHBondContact OD2-CD 3.5Å; D118-K245 WeakPolarHBondContact OD2-CE 3.15Å; D118-K245 IonicContact OD2-NZ 2.99Å; D118-K245 PolarHBondContact OD2-NZ 3.29Å; D118-H423 IonicContact OD1-ND1 3.57Å
119G98Very high98.1Very high2 Ų218.9 Ų18.92%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-179.7-179.3-167.500000113.8E77 L117 H423E77-G119 WeakPolarHBondContact O-CA 3.09Å; L117-G119 PolarHBondContact O-N 2.95Å; G119-H423 PolarHBondContact O-CE1 2.73Å
120V98.8Very high98.1Very high5 Ų522.5 Ų22.53%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-118.9132.2172.2-63.90000107.5G76 E77 V142 R143G76-V120 CarbonylContact C-O 3.48Å; G76-V120 WeakPolarHBondContact CA-O 3.08Å; E77-V120 HydrophobicContact CB-CG2 4.45Å; E77-V120 PolarHBondContact N-O 3.1Å; E77-V120 PolarHBondContact O-N 2.89Å; E77-V120 VanDerWaalsContact O-N 3.09Å; V120-V142 HydrophobicContact CB-CB 3.87Å; V120-V142 HydrophobicContact CB-CG1 3.98Å; V120-V142 HydrophobicContact CG1-CB 3.61Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.83Å; V120-V142 HydrophobicContact CG2-CG1 4.37Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.09Å
121F98.9Very high98.1Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-164.3147-170.755.7-94.7000112.6N75 I78 I114 L117 F123 R137 D138N75-F121 CarbonylContact O-C 3.59Å; N75-F121 WeakPolarHBondContact O-CA 3.26Å; I78-F121 HydrophobicContact CD1-CB 4.11Å; I78-F121 HydrophobicContact CD1-CD1 3.67Å; I78-F121 HydrophobicContact CD1-CE1 4.49Å; I78-F121 HydrophobicContact CD1-CG 4.16Å; I114-F121 HydrophobicContact CD1-CE2 3.97Å; I114-F121 HydrophobicContact CD1-CZ 4.4Å; I114-F121 HydrophobicContact CG1-CE2 3.78Å; I114-F121 HydrophobicContact CG1-CZ 3.77Å; L117-F121 HydrophobicContact CB-CD1 4.19Å; L117-F121 HydrophobicContact CB-CE1 3.48Å; L117-F121 VanDerWaalsContact CB-CE1 3.48Å; L117-F121 HydrophobicContact CB-CZ 4.02Å; L117-F121 HydrophobicContact CD1-CD1 4.04Å; L117-F121 HydrophobicContact CD1-CD2 4.42Å; L117-F121 HydrophobicContact CD1-CE1 3.68Å; L117-F121 HydrophobicContact CD1-CE2 4.08Å; L117-F121 HydrophobicContact CD1-CG 4.41Å; L117-F121 HydrophobicContact CD1-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE1 4.2Å; L117-F121 HydrophobicContact CG-CZ 4.42Å; F121-F123 AromaticContact CD2-CD1 3.63Å; F121-F123 HydrophobicContact CD2-CD1 3.63Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CE2-CD1 4.07Å; F121-F123 AromaticContact CE2-CE1 3.81Å; F121-F123 HydrophobicContact CE2-CE1 3.81Å; F121-R137 CarbonylContact O-C 3.59Å; F121-R137 WeakPolarHBondContact O-CA 3.24Å; F121-D138 HydrophobicContact CD1-CB 4.05Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.04Å; F121-D138 HydrophobicContact CE2-CB 4.45Å; F121-D138 HydrophobicContact CG-CB 4.26Å; F121-D138 HydrophobicContact CZ-CB 4.25Å; F121-D138 PolarHBondContact N-OD2 3.34Å; F121-D138 PolarHBondContact O-N 3.33Å
122A98.9Very high98.2Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-128.2126.9157.400000106.9I4 Y74 N75 G136 R143 P144 L145I4-A122 HydrophobicContact CD1-CB 4.35Å; Y74-A122 CarbonylContact C-O 3.02Å; Y74-A122 WeakPolarHBondContact CA-O 3.42Å; N75-A122 PolarHBondContact N-O 2.66Å; N75-A122 PolarHBondContact O-N 3.4Å; A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.39Å; A122-R143 HydrophobicContact CB-CB 4.11Å; A122-P144 VanDerWaalsContact CB-O 3.24Å; A122-P144 WeakPolarHBondContact CB-O 3.25Å; A122-L145 HydrophobicContact CB-CB 3.9Å
123F98.9Very high98.4Very high0 Ų018.3 Ų18.30%010%0.102CC..EExtended strand (participates in β ladder)trans-135.9156.8-178.871.6-103.5000113.5L72 C73 I101 I110 I114 F121 L125 F134 L135 G136L72-F123 HydrophobicContact CD1-CB 3.99Å; L72-F123 HydrophobicContact CD1-CD2 4.39Å; L72-F123 HydrophobicContact CD1-CG 4.4Å; C73-F123 CarbonylContact O-C 3.51Å; C73-F123 VanDerWaalsContact O-CA 3.27Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; I101-F123 HydrophobicContact CD1-CD1 4.49Å; I110-F123 HydrophobicContact CD1-CE2 3.88Å; I110-F123 HydrophobicContact CD1-CZ 3.78Å; I114-F123 HydrophobicContact CD1-CE1 4.01Å; I114-F123 HydrophobicContact CD1-CZ 4.11Å; I114-F123 HydrophobicContact CG1-CE1 4.24Å; F121-F123 AromaticContact CD2-CD1 3.63Å; F121-F123 HydrophobicContact CD2-CD1 3.63Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CE2-CD1 4.07Å; F121-F123 AromaticContact CE2-CE1 3.81Å; F121-F123 HydrophobicContact CE2-CE1 3.81Å; F123-L125 HydrophobicContact CD2-CB 4.18Å; F123-L125 HydrophobicContact CE2-CB 4.3Å; F123-F134 HydrophobicContact CE2-CB 4.39Å; F123-L135 WeakPolarHBondContact O-CA 3.28Å; F123-G136 PolarHBondContact N-O 3.46Å; F123-G136 PolarHBondContact O-N 3.41Å; F123-G136 VanDerWaalsContact O-N 3.11Å
124V98.9Very high98.4Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-124.2124.1161.853.50000108.1A6 F8 F45 C73 V133 F134 L135 V157A6-V124 HydrophobicContact CB-CG1 4.1Å; F8-V124 HydrophobicContact CE2-CG2 3.85Å; F8-V124 HydrophobicContact CZ-CG2 3.77Å; F45-V124 HydrophobicContact CD1-CG1 4.16Å; F45-V124 HydrophobicContact CE1-CG1 3.84Å; F45-V124 HydrophobicContact CE1-CG2 4.06Å; C73-V124 HydrophobicContact CB-CG1 3.78Å; C73-V124 PolarHBondContact N-O 3.08Å; C73-V124 PolarHBondContact O-N 3.5Å; V124-V133 HydrophobicContact CG2-CG1 4.14Å; V124-F134 CarbonylContact C-O 3.56Å; V124-F134 WeakPolarHBondContact CA-O 3.38Å; V124-L135 HydrophobicContact CB-CD2 3.91Å; V124-L135 HydrophobicContact CG2-CD2 3.8Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG2 4.35Å; V124-V157 HydrophobicContact CG2-CG2 4.35Å
125L98.9Very high98.5Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-118126.2177.1172.668000108.7W71 L72 L102 Y105 I110 F123 V133 F134W71-L125 WeakPolarHBondContact O-CA 3.31Å; L72-L125 HydrophobicContact CB-CD1 4.13Å; L72-L125 HydrophobicContact CD1-CB 4.27Å; L72-L125 HydrophobicContact CD1-CD1 4.48Å; L102-L125 HydrophobicContact CD2-CD1 3.75Å; Y105-L125 HydrophobicContact CD1-CD2 3.95Å; Y105-L125 HydrophobicContact CD2-CD2 3.6Å; Y105-L125 HydrophobicContact CE1-CD2 4.36Å; Y105-L125 HydrophobicContact CE2-CD2 4.04Å; Y105-L125 HydrophobicContact CG-CD2 3.56Å; I110-L125 HydrophobicContact CD1-CD2 4.38Å; F123-L125 HydrophobicContact CD2-CB 4.18Å; F123-L125 HydrophobicContact CE2-CB 4.3Å; L125-V133 CarbonylContact O-C 2.79Å; L125-V133 WeakPolarHBondContact O-CA 3.44Å; L125-F134 HydrophobicContact CB-CB 4.27Å; L125-F134 HydrophobicContact CB-CD2 4.4Å; L125-F134 HydrophobicContact CD2-CD2 4.05Å; L125-F134 HydrophobicContact CG-CD2 4.18Å; L125-F134 PolarHBondContact N-O 3.01Å; L125-F134 PolarHBondContact O-N 3.39Å
126L98.9Very high98.6Very high1 Ų117.7 Ų17.71%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-108.9129.8173.2161.669.4000109.6F8 V37 F45 L70 W71 T128 V133 L190F8-L126 HydrophobicContact CE1-CB 4.21Å; F8-L126 HydrophobicContact CE1-CD1 4.2Å; F8-L126 HydrophobicContact CE1-CD2 4.24Å; F8-L126 HydrophobicContact CE1-CG 4.45Å; V37-L126 HydrophobicContact CB-CD2 4.32Å; V37-L126 HydrophobicContact CG1-CD2 3.85Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; F45-L126 HydrophobicContact CE2-CB 4.49Å; F45-L126 HydrophobicContact CE2-CD2 3.95Å; F45-L126 HydrophobicContact CZ-CB 3.85Å; F45-L126 HydrophobicContact CZ-CD2 4.1Å; L70-L126 WeakPolarHBondContact CA-O 3.3Å; W71-L126 HydrophobicContact CB-CB 4.19Å; W71-L126 HydrophobicContact CB-CD2 4.4Å; W71-L126 HydrophobicContact CG-CD2 4.29Å; W71-L126 PolarHBondContact N-O 3.49Å; W71-L126 PolarHBondContact O-N 2.99Å; L126-T128 HydrophobicContact CD1-CG2 4Å; L126-T128 HydrophobicContact CD2-CG2 3.86Å; L126-T128 HydrophobicContact CG-CG2 3.89Å; L126-V133 HydrophobicContact CD1-CG2 3.98Å; L126-L190 HydrophobicContact CD1-CD2 3.73Å
127D98.8Very high98.7Very high2 Ų217.2 Ų17.21%0.0119%0.094CC..EExtended strand (participates in β ladder)trans-115.4105.1169.9-174.3-20.6000109.9L70 Y105 A129 N130 K131 K132 F134L70-D127 HydrophobicContact CD2-CB 3.68Å; Y105-D127 HydrophobicContact CE1-CB 4.27Å; Y105-D127 VanDerWaalsContact CE1-OD2 3.31Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.48Å; Y105-D127 PolarHBondContact OH-OD2 3.43Å; D127-A129 WeakPolarHBondContact OD1-CB 3.45Å; D127-A129 PolarHBondContact OD1-N 3.25Å; D127-N130 PolarHBondContact OD1-N 2.8Å; D127-N130 WeakPolarHBondContact OD2-CB 3.48Å; D127-N130 PolarHBondContact OD2-OD1 2.78Å; D127-K131 WeakPolarHBondContact O-CA 3.44Å; D127-K131 PolarHBondContact O-N 3.35Å; D127-K132 HydrophobicContact CB-CB 4.49Å; D127-K132 PolarHBondContact N-O 3.14Å; D127-K132 PolarHBondContact O-N 3.33Å; D127-F134 HydrophobicContact CB-CE2 4.36Å
128T98.7Very high98.7Very high26 Ų2617.1 Ų17.116%0.169%0.094CC..THydrogen-bonded Turntrans-80-16.4-179.456.50000113.8V37 Y40 Y69 L126 K131V37-T128 HydrophobicContact CG1-CG2 3.86Å; Y40-T128 HydrophobicContact CD2-CG2 4.23Å; Y40-T128 HydrophobicContact CE2-CG2 4.34Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.32Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.36Å; Y69-T128 PolarHBondContact O-N 3.45Å; Y69-T128 PolarHBondContact O-OG1 3.24Å; L126-T128 HydrophobicContact CD1-CG2 4Å; L126-T128 HydrophobicContact CD2-CG2 3.86Å; L126-T128 HydrophobicContact CG-CG2 3.89Å; T128-K131 WeakPolarHBondContact O-CD 3.24Å; T128-K131 VanDerWaalsContact O-CE 3.25Å; T128-K131 WeakPolarHBondContact O-CE 3.48Å; T128-K131 PolarHBondContact O-NZ 2.84Å
129A98.4Very high98.7Very high56 Ų5617.4 Ų17.446%0.46310%0.095SC..THydrogen-bonded Turntrans-78.7-50.8176.100000109.8Y69 D127 K131Y69-A129 HydrophobicContact CD1-CB 4.24Å; Y69-A129 HydrophobicContact CD2-CB 3.75Å; Y69-A129 HydrophobicContact CE2-CB 4.42Å; Y69-A129 HydrophobicContact CG-CB 3.67Å; D127-A129 WeakPolarHBondContact OD1-CB 3.45Å; D127-A129 PolarHBondContact OD1-N 3.25Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 3.33Å
130N98.6Very high98.8Very high105 Ų10517.6 Ų17.656%0.56110%0.095SC*.THydrogen-bonded Turntrans-85.8-2.5-179.4-65.374.2000113.7D127 K132D127-N130 PolarHBondContact OD1-N 2.8Å; D127-N130 WeakPolarHBondContact OD2-CB 3.48Å; D127-N130 PolarHBondContact OD2-OD1 2.78Å; N130-K132 HydrophobicContact CB-CG 4.38Å
131K98.8Very high98.7Very high88 Ų8817.3 Ų17.338%0.3839%0.094SC..THydrogen-bonded Turntrans59.950.5177.9-50.1-58.2178.3-168.30111.7Y40 D127 T128 A129 L190Y40-K131 VanDerWaalsContact OH-CD 3.27Å; Y40-K131 WeakPolarHBondContact OH-CD 3.38Å; Y40-K131 WeakPolarHBondContact OH-CE 3.28Å; Y40-K131 PolarHBondContact OH-NZ 3.19Å; D127-K131 WeakPolarHBondContact O-CA 3.44Å; D127-K131 PolarHBondContact O-N 3.35Å; T128-K131 WeakPolarHBondContact O-CD 3.24Å; T128-K131 VanDerWaalsContact O-CE 3.25Å; T128-K131 WeakPolarHBondContact O-CE 3.48Å; T128-K131 PolarHBondContact O-NZ 2.84Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 3.33Å; K131-L190 HydrophobicContact CB-CB 4.32Å; K131-L190 PolarHBondContact O-N 3.38Å
132K98.8Very high98.7Very high53 Ų5317.4 Ų17.423%0.239%0.094CC..EExtended strand (participates in β ladder)trans-129.4145.9-178.4-62.9-65.3-175.4170.20112.2D127 N130 F134 V187 L188 D189D127-K132 HydrophobicContact CB-CB 4.49Å; D127-K132 PolarHBondContact N-O 3.14Å; D127-K132 PolarHBondContact O-N 3.33Å; N130-K132 HydrophobicContact CB-CG 4.38Å; K132-F134 HydrophobicContact CB-CD2 4.27Å; K132-F134 HydrophobicContact CB-CE1 4.24Å; K132-F134 HydrophobicContact CB-CE2 3.4Å; K132-F134 HydrophobicContact CB-CZ 3.39Å; K132-F134 HydrophobicContact CG-CE2 4.32Å; K132-F134 HydrophobicContact CG-CZ 3.86Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; K132-L188 CarbonylContact C-O 3.48Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.21Å; K132-D189 WeakPolarHBondContact CE-OD1 3.02Å; K132-D189 IonicContact NZ-OD1 2.65Å; K132-D189 PolarHBondContact NZ-OD1 3.16Å
133V98.9Very high98.7Very high0 Ų017.4 Ų17.40%09%0.094CC..EExtended strand (participates in β ladder)trans-118.6135164.6-179.80000107.2F8 V124 L125 L126 L155 L188 V196F8-V133 HydrophobicContact CD1-CG2 3.66Å; F8-V133 HydrophobicContact CD2-CG1 4.37Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.05Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.82Å; F8-V133 HydrophobicContact CG-CG2 4.28Å; F8-V133 HydrophobicContact CZ-CG1 3.64Å; F8-V133 HydrophobicContact CZ-CG2 3.99Å; V124-V133 HydrophobicContact CG2-CG1 4.14Å; L125-V133 CarbonylContact O-C 2.79Å; L125-V133 WeakPolarHBondContact O-CA 3.44Å; L126-V133 HydrophobicContact CD1-CG2 3.98Å; V133-L155 HydrophobicContact CG1-CD2 4.36Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 HydrophobicContact CB-CD1 4.45Å; V133-L188 HydrophobicContact CG1-CD1 4.45Å; V133-L188 PolarHBondContact N-O 3.26Å; V133-L188 PolarHBondContact O-N 2.92Å; V133-V196 HydrophobicContact CG2-CG1 4.01Å
134F98.9Very high98.7Very high12 Ų1217.4 Ų17.45%0.0539%0.094CC..EExtended strand (participates in β ladder)trans-121.8134.2177.7-52.9-86.4000109.9Y105 I110 F123 V124 L125 D127 K132 E186 V187Y105-F134 HydrophobicContact CD2-CE2 4.46Å; Y105-F134 AromaticContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CE1 4.38Å; Y105-F134 AromaticContact CE2-CE2 3.38Å; Y105-F134 HydrophobicContact CE2-CE2 3.38Å; Y105-F134 AromaticContact CE2-CZ 3.59Å; Y105-F134 HydrophobicContact CE2-CZ 3.59Å; Y105-F134 AromaticContact CZ-CE2 3.54Å; Y105-F134 AromaticContact CZ-CZ 3.95Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.4Å; I110-F134 HydrophobicContact CB-CD1 3.69Å; I110-F134 HydrophobicContact CB-CE1 3.84Å; I110-F134 HydrophobicContact CB-CG 4.27Å; I110-F134 HydrophobicContact CD1-CB 3.84Å; I110-F134 HydrophobicContact CD1-CD1 4.22Å; I110-F134 HydrophobicContact CD1-CG 3.99Å; I110-F134 HydrophobicContact CG1-CB 4.03Å; I110-F134 HydrophobicContact CG1-CD1 3.66Å; I110-F134 HydrophobicContact CG1-CE1 4.34Å; I110-F134 HydrophobicContact CG1-CG 3.96Å; I110-F134 HydrophobicContact CG2-CD1 3.75Å; I110-F134 HydrophobicContact CG2-CE1 3.71Å; F123-F134 HydrophobicContact CE2-CB 4.39Å; V124-F134 CarbonylContact C-O 3.56Å; V124-F134 WeakPolarHBondContact CA-O 3.38Å; L125-F134 HydrophobicContact CB-CB 4.27Å; L125-F134 HydrophobicContact CB-CD2 4.4Å; L125-F134 HydrophobicContact CD2-CD2 4.05Å; L125-F134 HydrophobicContact CG-CD2 4.18Å; L125-F134 PolarHBondContact N-O 3.01Å; L125-F134 PolarHBondContact O-N 3.39Å; D127-F134 HydrophobicContact CB-CE2 4.36Å; K132-F134 HydrophobicContact CB-CD2 4.27Å; K132-F134 HydrophobicContact CB-CE1 4.24Å; K132-F134 HydrophobicContact CB-CE2 3.4Å; K132-F134 HydrophobicContact CB-CZ 3.39Å; K132-F134 HydrophobicContact CG-CE2 4.32Å; K132-F134 HydrophobicContact CG-CZ 3.86Å; F134-E186 VanDerWaalsContact CA-O 3.3Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; F134-V187 HydrophobicContact CD1-CB 4.38Å; F134-V187 HydrophobicContact CD1-CG1 4.24Å; F134-V187 HydrophobicContact CD1-CG2 3.97Å; F134-V187 HydrophobicContact CE1-CB 4.36Å; F134-V187 HydrophobicContact CE1-CG1 3.8Å; F134-V187 HydrophobicContact CE1-CG2 3.98Å
135L98.9Very high98.7Very high0 Ų017.4 Ų17.40%09%0.094CC..EExtended strand (participates in β ladder)trans-110.8143.2168.3-53.1-178.5000108.2F123 V124 L145 K147 V157 F180 Y185 E186 L188F123-L135 WeakPolarHBondContact O-CA 3.28Å; V124-L135 HydrophobicContact CB-CD2 3.91Å; V124-L135 HydrophobicContact CG2-CD2 3.8Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L135-K147 HydrophobicContact CD1-CD 4.43Å; L135-V157 HydrophobicContact CD1-CG1 3.73Å; L135-V157 HydrophobicContact CD2-CB 4.5Å; L135-V157 HydrophobicContact CD2-CG1 3.8Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L135-V157 HydrophobicContact CG-CG1 4.44Å; L135-F180 HydrophobicContact CB-CD2 4.15Å; L135-F180 HydrophobicContact CB-CE2 3.52Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CD2 4.01Å; L135-F180 HydrophobicContact CD1-CE2 3.88Å; L135-F180 HydrophobicContact CG-CE2 4.34Å; L135-Y185 CarbonylContact O-C 3.37Å; L135-Y185 WeakPolarHBondContact O-CA 3.44Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.23Å; L135-E186 HydrophobicContact CB-CB 4.34Å; L135-E186 PolarHBondContact N-O 3.17Å; L135-E186 PolarHBondContact O-N 3.07Å; L135-L188 HydrophobicContact CD1-CD1 4.4Å; L135-L188 HydrophobicContact CG-CD1 4.18Å
136G98.8Very high98.7Very high0 Ų017.8 Ų17.80%010%0.096CC..EExtended strand (participates in β ladder)trans-151.1145.1176.500000112.4A122 F123A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.39Å; F123-G136 PolarHBondContact N-O 3.46Å; F123-G136 PolarHBondContact O-N 3.41Å; F123-G136 VanDerWaalsContact O-N 3.11Å
137R98.9Very high98.7Very high4 Ų418.3 Ų18.32%0.01510%0.098CC..EExtended strand (participates in β ladder)trans-140.6138.8-179.8-168.6177.3-177-172.1-8111.2F121 G141 R143 F180 G183 H184 Y204F121-R137 CarbonylContact O-C 3.59Å; F121-R137 WeakPolarHBondContact O-CA 3.24Å; R137-G141 PolarHBondContact NH2-O 3.13Å; R137-R143 PolarHBondContact NE-O 3.32Å; R137-F180 HydrophobicContact CB-CD1 3.72Å; R137-F180 HydrophobicContact CB-CE1 4.01Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 2.94Å; R137-G183 WeakPolarHBondContact O-CA 3.43Å; R137-G183 PolarHBondContact O-N 3.49Å; R137-H184 PolarHBondContact N-O 3.3Å; R137-H184 VanDerWaalsContact N-O 3.12Å; R137-Y204 WeakPolarHBondContact O-CE1 3.38Å
138D98.7Very high98.7Very high1 Ų118.2 Ų18.21%0.00510%0.098CC..  trans-59.4160.9-176.869.178000113.9F121 Y140 G141 V142 R143 G183 Y204F121-D138 HydrophobicContact CD1-CB 4.05Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.04Å; F121-D138 HydrophobicContact CE2-CB 4.45Å; F121-D138 HydrophobicContact CG-CB 4.26Å; F121-D138 HydrophobicContact CZ-CB 4.25Å; F121-D138 PolarHBondContact N-OD2 3.34Å; F121-D138 PolarHBondContact O-N 3.33Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.8Å; D138-Y140 PolarHBondContact OD1-N 3.36Å; D138-G141 PolarHBondContact O-N 2.88Å; D138-G141 WeakPolarHBondContact OD1-CA 3.3Å; D138-G141 PolarHBondContact OD1-N 3.05Å; D138-V142 PolarHBondContact OD1-N 2.83Å; D138-V142 PolarHBondContact OD2-N 2.97Å; D138-R143 PolarHBondContact OD2-N 3.24Å; D138-G183 PolarHBondContact O-N 3.47Å; D138-Y204 WeakPolarHBondContact CA-OH 3.26Å
139T97.9Very high98.6Very high10 Ų1020.2 Ų20.26%0.06111%0.106CC..THydrogen-bonded Turntrans-49.1-47.9-169.9-68.20000113.9P182 Y204 H205T139-P182 WeakPolarHBondContact O-CB 3.32Å; T139-Y204 PolarHBondContact N-OH 3.45Å; T139-H205 WeakPolarHBondContact CG2-ND1 3.34Å; T139-H205 PolarHBondContact OG1-ND1 2.72Å
140Y98.4Very high98.6Very high6 Ų618.4 Ų18.42%0.0249%0.09CC..THydrogen-bonded Turntrans-1000.4-174.9-60.2-69.3000112.6D138 V142 C207 L394 L421 S426D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.8Å; D138-Y140 PolarHBondContact OD1-N 3.36Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; Y140-C207 HydrophobicContact CE1-CB 3.78Å; Y140-L394 HydrophobicContact CD1-CB 4.38Å; Y140-L394 HydrophobicContact CD1-CD2 4.41Å; Y140-L394 HydrophobicContact CE1-CB 4.19Å; Y140-L394 HydrophobicContact CE1-CD1 4.44Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; Y140-L421 HydrophobicContact CD1-CD2 4.43Å; Y140-L421 HydrophobicContact CD2-CB 3.89Å; Y140-L421 HydrophobicContact CD2-CD2 4.27Å; Y140-L421 HydrophobicContact CE2-CB 4.36Å; Y140-L421 WeakPolarHBondContact CE2-O 3.48Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.2Å; Y140-S426 VanDerWaalsContact OH-CB 3.28Å; Y140-S426 WeakPolarHBondContact OH-CB 3.49Å; Y140-S426 PolarHBondContact OH-OG 2.92Å
141G98.4Very high98.4Very high0 Ų023.4 Ų23.40%011%0.109CC..  trans71.629.4177.900000113R137 D138 R143 V402R137-G141 PolarHBondContact NH2-O 3.13Å; D138-G141 PolarHBondContact O-N 2.88Å; D138-G141 WeakPolarHBondContact OD1-CA 3.3Å; D138-G141 PolarHBondContact OD1-N 3.05Å; G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.43Å; G141-V402 WeakPolarHBondContact O-CG1 3.31Å
142V98.8Very high98.2Very high1 Ų121.9 Ų21.91%0.00611%0.106CC..  trans-57.7-42.2-178.2179.60000111.3V120 D138 Y140 V402 V418 L421V120-V142 HydrophobicContact CB-CB 3.87Å; V120-V142 HydrophobicContact CB-CG1 3.98Å; V120-V142 HydrophobicContact CG1-CB 3.61Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.83Å; V120-V142 HydrophobicContact CG2-CG1 4.37Å; D138-V142 PolarHBondContact OD1-N 2.83Å; D138-V142 PolarHBondContact OD2-N 2.97Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; V142-V402 VanDerWaalsContact CA-CG1 3.46Å; V142-V402 HydrophobicContact CB-CG1 4.49Å; V142-V418 HydrophobicContact CG1-CG2 3.87Å; V142-V418 HydrophobicContact CG2-CG2 4.08Å; V142-L421 HydrophobicContact CG2-CD1 3.9Å
143R98.8Very high98.1Very high0 Ų019.7 Ų19.70%010%0.098CC..SBendtrans-96.6135.2170.5-64.1-68-173.5-96.1-0109.8M1 N75 V120 A122 R137 D138 G141 E415 L416M1-R143 PolarHBondContact SD-NH1 3.48Å; N75-R143 WeakPolarHBondContact O-CB 3.47Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.23Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.09Å; A122-R143 HydrophobicContact CB-CB 4.11Å; R137-R143 PolarHBondContact NE-O 3.32Å; D138-R143 PolarHBondContact OD2-N 3.24Å; G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.43Å; R143-E415 VanDerWaalsContact NH2-CG 3.29Å; R143-E415 IonicContact NH2-OE2 2.65Å; R143-E415 PolarHBondContact NH2-OE2 3.26Å; R143-L416 PolarHBondContact NH1-O 3.21Å; R143-L416 PolarHBondContact NH2-O 3.37Å
144P98.8Very high98.1Very high0 Ų019.7 Ų19.70%010%0.098CC..  trans-87.6150.7-173.337.3-41.2000113.5A122 S159 D406 R407A122-P144 VanDerWaalsContact CB-O 3.24Å; A122-P144 WeakPolarHBondContact CB-O 3.25Å; P144-S159 WeakPolarHBondContact CB-O 3.29Å; P144-S159 VanDerWaalsContact CG-O 3.26Å; P144-S159 WeakPolarHBondContact CG-O 3.49Å; P144-D406 WeakPolarHBondContact CD-OD2 3.28Å; P144-D406 WeakPolarHBondContact CG-OD1 3.22Å; P144-R407 VanDerWaalsContact CG-NH1 3.29Å
145L98.9Very high98Very high0 Ų019.1 Ų19.10%010%0.095CC..  trans-149.3135.2171.3-170.858.9000109.1I4 A122 L135 V157 C158 F180I4-L145 HydrophobicContact CD1-CD1 3.64Å; I4-L145 HydrophobicContact CG1-CD1 4.4Å; A122-L145 HydrophobicContact CB-CB 3.9Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L145-V157 HydrophobicContact CD1-CB 4.29Å; L145-C158 CarbonylContact C-O 3.42Å; L145-F180 HydrophobicContact CB-CB 3.92Å; L145-F180 HydrophobicContact CD2-CB 4.04Å; L145-F180 HydrophobicContact CD2-CD1 4.04Å; L145-F180 HydrophobicContact CD2-CD2 4.45Å; L145-F180 HydrophobicContact CD2-CG 3.91Å; L145-F180 HydrophobicContact CG-CB 3.88Å; L145-F180 HydrophobicContact CG-CG 4.31Å; L145-F180 WeakPolarHBondContact O-CB 3.37Å; L145-F180 PolarHBondContact O-N 2.82Å
146F98.9Very high98Very high8 Ų819.1 Ų19.14%0.03510%0.095CC..EExtended strand (participates in β ladder)trans-121.6150.9170.1-73.5-99.9000108.9V157 C158 A161 L164 V177 E178 P179 W532F146-V157 VanDerWaalsContact O-CA 3.3Å; F146-V157 WeakPolarHBondContact O-CA 3.41Å; F146-C158 PolarHBondContact N-O 2.99Å; F146-C158 PolarHBondContact O-N 3.25Å; F146-A161 HydrophobicContact CD1-CB 3.74Å; F146-A161 HydrophobicContact CD2-CB 4.28Å; F146-A161 HydrophobicContact CE1-CB 3.83Å; F146-A161 HydrophobicContact CE2-CB 4.35Å; F146-A161 HydrophobicContact CG-CB 3.97Å; F146-A161 HydrophobicContact CZ-CB 4.14Å; F146-L164 HydrophobicContact CB-CD1 3.86Å; F146-V177 HydrophobicContact CB-CG1 4.23Å; F146-V177 HydrophobicContact CD1-CG1 4.06Å; F146-E178 WeakPolarHBondContact CA-O 3.25Å; F146-P179 HydrophobicContact CD1-CB 4.3Å; F146-P179 HydrophobicContact CD1-CG 4.19Å; F146-P179 HydrophobicContact CE1-CB 4.04Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CG 4.32Å; F146-W532 HydrophobicContact CE1-CG 4.48Å
147K98.6Very high98Very high12 Ų1219.1 Ų19.15%0.05210%0.095CC..EExtended strand (participates in β ladder)trans-129.7157.3172.669.7169.8-179.9-1780111.6L135 L155 A156 V157 V177 E178 F180 E186L135-K147 HydrophobicContact CD1-CD 4.43Å; K147-L155 HydrophobicContact CB-CD1 4.38Å; K147-A156 CarbonylContact C-O 3.56Å; K147-A156 VanDerWaalsContact CA-O 3.3Å; K147-A156 WeakPolarHBondContact CA-O 3.32Å; K147-V157 HydrophobicContact CB-CG1 3.95Å; K147-V177 WeakPolarHBondContact O-CA 3.42Å; K147-E178 WeakPolarHBondContact CE-OE1 3.45Å; K147-E178 HydrophobicContact CG-CG 4.05Å; K147-E178 PolarHBondContact N-O 3.42Å; K147-E178 PolarHBondContact O-N 2.82Å; K147-F180 HydrophobicContact CD-CD2 4.19Å; K147-E186 IonicContact NZ-OE1 3.08Å; K147-E186 PolarHBondContact NZ-OE1 3.41Å; K147-E186 IonicContact NZ-OE2 3.66Å; K147-E186 PolarHBondContact NZ-OE2 3.3Å
148A98.2Very high98Very high1 Ų119 Ų191%0.00810%0.095CC..EExtended strand (participates in β ladder)trans-137.8131.8164.100000108.8L155 A156 L175 K176 V177A148-L155 WeakPolarHBondContact O-CA 3.28Å; A148-A156 HydrophobicContact CB-CB 4.47Å; A148-A156 PolarHBondContact N-O 2.87Å; A148-A156 PolarHBondContact O-N 3.41Å; A148-L175 HydrophobicContact CB-CD1 3.81Å; A148-L175 HydrophobicContact CB-CD2 3.72Å; A148-L175 HydrophobicContact CB-CG 3.57Å; A148-K176 VanDerWaalsContact CA-O 3.28Å; A148-K176 WeakPolarHBondContact CA-O 3.31Å; A148-K176 WeakPolarHBondContact CB-O 3.35Å; A148-V177 HydrophobicContact CB-CG2 4.13Å
149M97.6Very high98Very high67 Ų6718.9 Ų18.933%0.339%0.094SC..EExtended strand (participates in β ladder)trans-137.5137-178.6-169.9161.560.600110.3F154 L155 L188M149-F154 VanDerWaalsContact CA-O 3.27Å; M149-F154 WeakPolarHBondContact CA-O 3.47Å; M149-L155 HydrophobicContact CB-CD1 4.29Å; M149-L155 HydrophobicContact SD-CD1 4.44Å; M149-L188 HydrophobicContact SD-CD2 3.68Å
150T97.1Very high98.1Very high19 Ų1918.5 Ų18.512%0.1179%0.092CC..  trans-106.1163.8178.764.10000111.3D152 G153 F154 T172 L175T150-D152 VanDerWaalsContact C-N 3.27Å; T150-D152 VanDerWaalsContact CB-OD1 3.24Å; T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.29Å; T150-D152 PolarHBondContact OG1-OD1 3.3Å; T150-G153 PolarHBondContact O-N 2.92Å; T150-F154 HydrophobicContact CG2-CB 4.4Å; T150-F154 HydrophobicContact CG2-CD1 4.04Å; T150-F154 PolarHBondContact N-O 2.91Å; T150-F154 WeakPolarHBondContact OG1-CB 3.47Å; T150-F154 PolarHBondContact OG1-N 3.48Å; T150-F154 VanDerWaalsContact OG1-N 3.12Å; T150-T172 HydrophobicContact CG2-CG2 3.75Å; T150-L175 HydrophobicContact CG2-CD1 3.64Å
151E95.4Very high98.1Very high209 Ų20918.2 Ų18.298%0.9779%0.091SC*.THydrogen-bonded Turntrans-62.3-32.2178.6-64.8-177.1173.800113.1G153E151-G153 PolarHBondContact O-N 3.41Å
152D95.1Very high98.1Very high57 Ų5718.4 Ų18.431%0.3059%0.092SC..THydrogen-bonded Turntrans-77.2-2176.769.9-63.2000113.6T150 H169 T171 K195T150-D152 VanDerWaalsContact C-N 3.27Å; T150-D152 VanDerWaalsContact CB-OD1 3.24Å; T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.29Å; T150-D152 PolarHBondContact OG1-OD1 3.3Å; D152-H169 IonicContact OD1-CD2 3.8Å; D152-H169 IonicContact OD1-NE2 3.05Å; D152-H169 PolarHBondContact OD1-NE2 2.91Å; D152-H169 VanDerWaalsContact OD1-NE2 3.07Å; D152-H169 IonicContact OD2-CE1 3.65Å; D152-H169 PolarHBondContact OD2-CE1 3.03Å; D152-H169 IonicContact OD2-NE2 2.86Å; D152-H169 PolarHBondContact OD2-NE2 3.28Å; D152-T171 PolarHBondContact OD1-OG1 3.42Å; D152-K195 WeakPolarHBondContact O-CD 3.47Å; D152-K195 IonicContact OD2-NZ 3.11Å; D152-K195 PolarHBondContact OD2-NZ 3.08Å
153G96.9Very high98Very high6 Ų618.4 Ų18.46%0.0629%0.091CC..  trans88.322.1174.800000114.8T150 E151 K195 V196T150-G153 PolarHBondContact O-N 2.92Å; E151-G153 PolarHBondContact O-N 3.41Å; G153-K195 CarbonylContact O-C 3.54Å; G153-K195 WeakPolarHBondContact O-CA 3.32Å; G153-K195 WeakPolarHBondContact O-CB 3.38Å; G153-V196 WeakPolarHBondContact CA-O 3.48Å; G153-V196 PolarHBondContact O-N 3.26Å
154F97.3Very high97.9Very high0 Ų018.4 Ų18.40%09%0.091CC..  trans-73.9129.1163.6166.3-108.8000108.9L7 F8 M149 T150 A156 L167 H169 L175L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.32Å; L7-F154 HydrophobicContact CD2-CE2 3.94Å; L7-F154 HydrophobicContact CD2-CZ 3.83Å; L7-F154 HydrophobicContact CG-CE2 4.42Å; F8-F154 WeakPolarHBondContact O-CD2 3.35Å; M149-F154 VanDerWaalsContact CA-O 3.27Å; M149-F154 WeakPolarHBondContact CA-O 3.47Å; T150-F154 HydrophobicContact CG2-CB 4.4Å; T150-F154 HydrophobicContact CG2-CD1 4.04Å; T150-F154 PolarHBondContact N-O 2.91Å; T150-F154 WeakPolarHBondContact OG1-CB 3.47Å; T150-F154 PolarHBondContact OG1-N 3.48Å; T150-F154 VanDerWaalsContact OG1-N 3.12Å; F154-A156 HydrophobicContact CE1-CB 4.07Å; F154-A156 HydrophobicContact CZ-CB 3.86Å; F154-L167 HydrophobicContact CZ-CD1 4.44Å; F154-H169 VanDerWaalsContact CB-CE1 3.48Å; F154-H169 WeakPolarHBondContact CB-CE1 3.09Å; F154-H169 HydrophobicContact CD1-CB 4.04Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 AromaticContact CD1-ND1 3.89Å; F154-H169 HydrophobicContact CE1-CB 4.14Å; F154-H169 AromaticContact CG-CE1 3.84Å; F154-H169 AromaticContact CG-CG 3.97Å; F154-H169 AromaticContact CG-ND1 3.67Å; F154-L175 HydrophobicContact CD1-CD1 4.28Å; F154-L175 HydrophobicContact CE1-CD1 4.2Å; F154-L175 HydrophobicContact CE1-CD2 4.05Å
155L98.4Very high97.8Very high0 Ų020.3 Ų20.30%010%0.103CC..EExtended strand (participates in β ladder)trans-121.7131.5175.2170.770.4000109.4L7 F8 V133 K147 A148 M149 V157 L188 V196L7-L155 CarbonylContact C-O 3.49Å; L7-L155 WeakPolarHBondContact CA-O 2.94Å; F8-L155 HydrophobicContact CB-CB 4.3Å; F8-L155 HydrophobicContact CD2-CB 4.39Å; F8-L155 HydrophobicContact CD2-CD2 3.79Å; F8-L155 HydrophobicContact CD2-CG 4.18Å; F8-L155 HydrophobicContact CE2-CD2 4.3Å; F8-L155 PolarHBondContact N-O 3Å; F8-L155 PolarHBondContact O-N 3.13Å; V133-L155 HydrophobicContact CG1-CD2 4.36Å; K147-L155 HydrophobicContact CB-CD1 4.38Å; A148-L155 WeakPolarHBondContact O-CA 3.28Å; M149-L155 HydrophobicContact CB-CD1 4.29Å; M149-L155 HydrophobicContact SD-CD1 4.44Å; L155-V157 HydrophobicContact CD1-CG1 3.87Å; L155-V157 HydrophobicContact CD2-CG1 4.37Å; L155-V157 HydrophobicContact CG-CG1 4.11Å; L155-L188 HydrophobicContact CD2-CD1 4.41Å; L155-L188 HydrophobicContact CD2-CD2 4.05Å; L155-V196 HydrophobicContact CB-CG2 3.42Å; L155-V196 VanDerWaalsContact CB-CG2 3.42Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; L155-V196 HydrophobicContact CG-CG2 4.32Å
156A98.1Very high97.5Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-124.8134.1169.200000109.7A6 L7 K147 A148 F154 L164 L167A6-A156 WeakPolarHBondContact O-CA 3.33Å; L7-A156 HydrophobicContact CD2-CB 3.33Å; K147-A156 CarbonylContact C-O 3.56Å; K147-A156 VanDerWaalsContact CA-O 3.3Å; K147-A156 WeakPolarHBondContact CA-O 3.32Å; A148-A156 HydrophobicContact CB-CB 4.47Å; A148-A156 PolarHBondContact N-O 2.87Å; A148-A156 PolarHBondContact O-N 3.41Å; F154-A156 HydrophobicContact CE1-CB 4.07Å; F154-A156 HydrophobicContact CZ-CB 3.86Å; A156-L164 HydrophobicContact CB-CD2 3.7Å; A156-L167 HydrophobicContact CB-CD1 3.61Å
157V98.8Very high97.2Very high1 Ų124.4 Ų24.41%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-131145.5176.6-61.60000110.7W5 A6 V124 L135 L145 F146 K147 L155W5-V157 CarbonylContact C-O 3.54Å; W5-V157 WeakPolarHBondContact CA-O 3.38Å; A6-V157 HydrophobicContact CB-CG2 3.79Å; A6-V157 PolarHBondContact N-O 3.11Å; A6-V157 PolarHBondContact O-N 3.02Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG2 4.35Å; V124-V157 HydrophobicContact CG2-CG2 4.35Å; L135-V157 HydrophobicContact CD1-CG1 3.73Å; L135-V157 HydrophobicContact CD2-CB 4.5Å; L135-V157 HydrophobicContact CD2-CG1 3.8Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L135-V157 HydrophobicContact CG-CG1 4.44Å; L145-V157 HydrophobicContact CD1-CB 4.29Å; F146-V157 VanDerWaalsContact O-CA 3.3Å; F146-V157 WeakPolarHBondContact O-CA 3.41Å; K147-V157 HydrophobicContact CB-CG1 3.95Å; L155-V157 HydrophobicContact CD1-CG1 3.87Å; L155-V157 HydrophobicContact CD2-CG1 4.37Å; L155-V157 HydrophobicContact CG-CG1 4.11Å
158C98.9Very high96.7Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-155151-177.2-170.60000111.5I4 L145 F146 E160 L164I4-C158 CarbonylContact O-C 3.49Å; I4-C158 VanDerWaalsContact O-CA 3.25Å; I4-C158 WeakPolarHBondContact O-CA 3.36Å; L145-C158 CarbonylContact C-O 3.42Å; F146-C158 PolarHBondContact N-O 2.99Å; F146-C158 PolarHBondContact O-N 3.25Å; C158-E160 WeakPolarHBondContact CB-O 3.46Å; C158-E160 PolarHBondContact O-N 2.99Å; C158-E160 PolarHBondContact SG-O 3.28Å; C158-L164 HydrophobicContact CB-CD1 3.94Å; C158-L164 HydrophobicContact CB-CD2 3.57Å; C158-L164 HydrophobicContact CB-CG 3.53Å
159S98.9Very high96.2Very high0 Ų032.3 Ų32.30%016%0.162CC..SBendtrans-59.1-34.7170.9-63.30000113.1I4 P144I4-S159 VanDerWaalsContact CG1-OG 3.22Å; I4-S159 WeakPolarHBondContact CG1-OG 3.34Å; I4-S159 PolarHBondContact N-OG 2.82Å; I4-S159 PolarHBondContact O-N 3.37Å; P144-S159 WeakPolarHBondContact CB-O 3.29Å; P144-S159 VanDerWaalsContact CG-O 3.26Å; P144-S159 WeakPolarHBondContact CG-O 3.49Å
160E98.9Very high95.6Very high1 Ų133.7 Ų33.71%0.00518%0.179CC..SBendtrans-132.8140.6-176.1-62.3179.8178.100110.1I24 H26 R27 C158 K162 G163 E332I24-E160 HydrophobicContact CG2-CB 3.91Å; I24-E160 HydrophobicContact CG2-CG 4.41Å; H26-E160 IonicContact CD2-OE1 3.73Å; H26-E160 IonicContact CE1-OE2 2.66Å; H26-E160 PolarHBondContact CE1-OE2 2.85Å; H26-E160 VanDerWaalsContact NE2-CD 3.32Å; H26-E160 IonicContact NE2-OE1 3.48Å; H26-E160 PolarHBondContact NE2-OE1 2.87Å; H26-E160 IonicContact NE2-OE2 3.55Å; H26-E160 PolarHBondContact NE2-OE2 2.89Å; R27-E160 VanDerWaalsContact CD-OE1 3.27Å; R27-E160 WeakPolarHBondContact CD-OE1 3.16Å; R27-E160 IonicContact CZ-OE1 2.64Å; R27-E160 IonicContact NE-OE1 2.64Å; R27-E160 IonicContact NH1-OE1 3.04Å; R27-E160 PolarHBondContact NH1-OE1 3.47Å; C158-E160 WeakPolarHBondContact CB-O 3.46Å; C158-E160 PolarHBondContact O-N 2.99Å; C158-E160 PolarHBondContact SG-O 3.28Å; E160-K162 HydrophobicContact CB-CG 3.95Å; E160-K162 PolarHBondContact O-N 2.66Å; E160-K162 VanDerWaalsContact O-N 3.17Å; E160-K162 VanDerWaalsContact OE2-CD 3.28Å; E160-K162 WeakPolarHBondContact OE2-CD 3.45Å; E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 2.83Å; E160-K162 PolarHBondContact OE2-NZ 2.67Å; E160-G163 PolarHBondContact O-N 3.36Å; E160-E332 WeakPolarHBondContact CB-OE1 3.39Å
161A98.7Very high95Very high0 Ų037.2 Ų37.20%020%0.201CC..G310 helixtrans-60.4-30.2-175.300000112.5F146 G163 L164 V165 V177 E332 W532F146-A161 HydrophobicContact CD1-CB 3.74Å; F146-A161 HydrophobicContact CD2-CB 4.28Å; F146-A161 HydrophobicContact CE1-CB 3.83Å; F146-A161 HydrophobicContact CE2-CB 4.35Å; F146-A161 HydrophobicContact CG-CB 3.97Å; F146-A161 HydrophobicContact CZ-CB 4.14Å; A161-G163 PolarHBondContact O-N 3.21Å; A161-G163 VanDerWaalsContact O-N 3.11Å; A161-L164 WeakPolarHBondContact O-CA 3.28Å; A161-L164 WeakPolarHBondContact O-CB 3.23Å; A161-L164 PolarHBondContact O-N 3.14Å; A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 PolarHBondContact O-N 3.47Å; A161-V165 VanDerWaalsContact O-N 3.09Å; A161-V177 HydrophobicContact CB-CG1 3.99Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 2.64Å; A161-E332 PolarHBondContact N-OE2 3.03Å; A161-W532 HydrophobicContact CB-CD2 4.31Å; A161-W532 HydrophobicContact CB-CE3 4.13Å; A161-W532 HydrophobicContact CB-CH2 3.33Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.66Å
162K98.3Very high94.5Very high5 Ų529 Ų292%0.02217%0.165CC..G310 helixtrans-57.4-23.4175.770.4179.965.560.40114.1I24 E160 L164 F329 S330 E332 Y526I24-K162 HydrophobicContact CG2-CG 4.31Å; E160-K162 HydrophobicContact CB-CG 3.95Å; E160-K162 PolarHBondContact O-N 2.66Å; E160-K162 VanDerWaalsContact O-N 3.17Å; E160-K162 VanDerWaalsContact OE2-CD 3.28Å; E160-K162 WeakPolarHBondContact OE2-CD 3.45Å; E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 2.83Å; E160-K162 PolarHBondContact OE2-NZ 2.67Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-F329 HydrophobicContact CD-CE1 3.94Å; K162-F329 HydrophobicContact CD-CE2 4.45Å; K162-F329 HydrophobicContact CD-CZ 3.72Å; K162-F329 VanDerWaalsContact CE-O 3.28Å; K162-F329 WeakPolarHBondContact CE-O 3.24Å; K162-S330 PolarHBondContact NZ-O 3.41Å; K162-E332 VanDerWaalsContact CB-OE1 3.26Å; K162-E332 WeakPolarHBondContact CB-OE1 3.4Å; K162-E332 WeakPolarHBondContact CE-OE1 3.2Å; K162-E332 VanDerWaalsContact CG-OE1 3.31Å; K162-E332 WeakPolarHBondContact CG-OE1 3.28Å; K162-E332 PolarHBondContact N-OE1 3.1Å; K162-E332 VanDerWaalsContact NZ-CD 3.31Å; K162-E332 IonicContact NZ-OE1 2.79Å; K162-E332 PolarHBondContact NZ-OE1 3.49Å; K162-Y526 HydrophobicContact CB-CE1 3.95Å; K162-Y526 WeakPolarHBondContact CE-OH 3.11Å
163G97.5Very high94.1Very high0 Ų033 Ų330%019%0.194CC..G310 helixtrans-79.4-7.217300000114.7W5 S20 E160 A161W5-G163 PolarHBondContact NE1-O 3.41Å; S20-G163 PolarHBondContact OG-O 3.03Å; E160-G163 PolarHBondContact O-N 3.36Å; A161-G163 PolarHBondContact O-N 3.21Å; A161-G163 VanDerWaalsContact O-N 3.11Å
164L97.1Very high93.9Very high0 Ų037.7 Ų37.70%021%0.213CC..THydrogen-bonded Turntrans-114.5-33.7-177.4-57.6-179.6000113.2F146 A156 C158 A161 K162 T166 L167 V177F146-L164 HydrophobicContact CB-CD1 3.86Å; A156-L164 HydrophobicContact CB-CD2 3.7Å; C158-L164 HydrophobicContact CB-CD1 3.94Å; C158-L164 HydrophobicContact CB-CD2 3.57Å; C158-L164 HydrophobicContact CB-CG 3.53Å; A161-L164 WeakPolarHBondContact O-CA 3.28Å; A161-L164 WeakPolarHBondContact O-CB 3.23Å; A161-L164 PolarHBondContact O-N 3.14Å; K162-L164 VanDerWaalsContact C-N 3.28Å; L164-T166 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact O-N 3.1Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å; L164-L167 VanDerWaalsContact O-CB 3.29Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 WeakPolarHBondContact O-CG 3.43Å; L164-L167 PolarHBondContact O-N 3.01Å; L164-V177 HydrophobicContact CB-CG1 4.31Å; L164-V177 HydrophobicContact CB-CG2 3.84Å; L164-V177 HydrophobicContact CD1-CG1 3.91Å
165V95.8Very high93.7Very high40 Ų4038.2 Ų38.224%0.24222%0.215CC..THydrogen-bonded Turntrans-63.6-21.2-169.8-62.10000115.5A161 Y526 W532A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 PolarHBondContact O-N 3.47Å; A161-V165 VanDerWaalsContact O-N 3.09Å; V165-Y526 HydrophobicContact CG1-CD1 4.35Å; V165-Y526 HydrophobicContact CG2-CD1 4.41Å; V165-Y526 HydrophobicContact CG2-CE1 4.49Å; V165-W532 HydrophobicContact CG1-CH2 3.45Å; V165-W532 VanDerWaalsContact CG1-CH2 3.45Å; V165-W532 HydrophobicContact CG1-CZ2 3.63Å
166T92.8Very high93.6Very high78 Ų7843.5 Ų43.548%0.47924%0.238SC..THydrogen-bonded Turntrans-94.8-2.7177.4580000113.5L164L164-T166 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact O-N 3.1Å
167L92.3Very high93.6Very high17 Ų1743.5 Ų43.59%0.08924%0.238CC..  trans-66.3136.5176.7-68.9173.3000109.8W5 L7 S20 F154 A156 L164 L175W5-L167 HydrophobicContact CZ2-CD2 4.2Å; L7-L167 HydrophobicContact CD2-CD1 3.85Å; S20-L167 WeakPolarHBondContact OG-CD2 3.42Å; F154-L167 HydrophobicContact CZ-CD1 4.44Å; A156-L167 HydrophobicContact CB-CD1 3.61Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å; L164-L167 VanDerWaalsContact O-CB 3.29Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 WeakPolarHBondContact O-CG 3.43Å; L164-L167 PolarHBondContact O-N 3.01Å; L167-L175 HydrophobicContact CB-CD2 3.94Å; L167-L175 HydrophobicContact CD1-CD2 4.44Å
168K88.1Confident93.6Very high166 Ų16646.7 Ų46.772%0.72225%0.253SS*.  trans-109.3143.2171.9-62-176.4-179.3-178.30107.9
169H88.8Confident93.6Very high12 Ų1247.9 Ų47.96%0.05626%0.261CS..BIsolated β-bridgetrans-141.5131.7176.5-17865000108.3D11 D152 F154 T171 T172 K195D11-H169 IonicContact OD1-CE1 3.94Å; D11-H169 IonicContact OD2-CE1 2.73Å; D11-H169 PolarHBondContact OD2-CE1 2.94Å; D11-H169 IonicContact OD2-ND1 3.84Å; D11-H169 PolarHBondContact OD2-ND1 3.47Å; D11-H169 IonicContact OD2-NE2 2.68Å; D152-H169 IonicContact OD1-CD2 3.8Å; D152-H169 IonicContact OD1-NE2 3.05Å; D152-H169 PolarHBondContact OD1-NE2 2.91Å; D152-H169 VanDerWaalsContact OD1-NE2 3.07Å; D152-H169 IonicContact OD2-CE1 3.65Å; D152-H169 PolarHBondContact OD2-CE1 3.03Å; D152-H169 IonicContact OD2-NE2 2.86Å; D152-H169 PolarHBondContact OD2-NE2 3.28Å; F154-H169 VanDerWaalsContact CB-CE1 3.48Å; F154-H169 WeakPolarHBondContact CB-CE1 3.09Å; F154-H169 HydrophobicContact CD1-CB 4.04Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 AromaticContact CD1-ND1 3.89Å; F154-H169 HydrophobicContact CE1-CB 4.14Å; F154-H169 AromaticContact CG-CE1 3.84Å; F154-H169 AromaticContact CG-CG 3.97Å; F154-H169 AromaticContact CG-ND1 3.67Å; H169-T171 PolarHBondContact CD2-OG1 3.07Å; H169-T171 PolarHBondContact NE2-OG1 2.93Å; H169-T171 PolarHBondContact O-N 2.99Å; H169-T172 HydrophobicContact CB-CG2 3.77Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 VanDerWaalsContact O-O 3.14Å; H169-K195 PolarHBondContact CE1-NZ 2.76Å; H169-K195 VanDerWaalsContact CE1-NZ 3.29Å
170S85.4Confident93.6Very high97 Ų9748 Ų4868%0.67826%0.261SS*.THydrogen-bonded Turntrans-61.3-27.5-158.8-60.10000114.1
171T83.4Confident93.6Very high93 Ų9350.7 Ų50.757%0.57128%0.276SS*.THydrogen-bonded Turntrans-94.1-8.7-177.558.30000114.1D152 H169D152-T171 PolarHBondContact OD1-OG1 3.42Å; H169-T171 PolarHBondContact CD2-OG1 3.07Å; H169-T171 PolarHBondContact NE2-OG1 2.93Å; H169-T171 PolarHBondContact O-N 2.99Å
172T85.9Confident93.5Very high37 Ų3751.4 Ų51.423%0.22728%0.28CS..BIsolated β-bridgetrans-127.7119.2-175.7-174.30000112.8T150 H169 F174 L175T150-T172 HydrophobicContact CG2-CG2 3.75Å; H169-T172 HydrophobicContact CB-CG2 3.77Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 VanDerWaalsContact O-O 3.14Å; T172-F174 VanDerWaalsContact C-N 3.27Å; T172-F174 PolarHBondContact O-N 2.91Å; T172-F174 PolarHBondContact OG1-N 3.45Å; T172-F174 PolarHBondContact OG1-O 2.9Å; T172-F174 VanDerWaalsContact OG1-O 3.05Å; T172-L175 HydrophobicContact CG2-CB 4.46Å; T172-L175 HydrophobicContact CG2-CD1 4.2Å
173P85.9Confident93.5Very high140 Ų14051.1 Ų51.191%0.90928%0.279SS*.SBendtrans-73-23175.730.1-34.2000112.3
174F91.8Very high93.6Very high105 Ų10552.6 Ų52.646%0.46129%0.286SS..SBendtrans-138.6105.4179.8-177-96.3000110.1T172 K176 R529T172-F174 VanDerWaalsContact C-N 3.27Å; T172-F174 PolarHBondContact O-N 2.91Å; T172-F174 PolarHBondContact OG1-N 3.45Å; T172-F174 PolarHBondContact OG1-O 2.9Å; T172-F174 VanDerWaalsContact OG1-O 3.05Å; F174-K176 PolarHBondContact O-N 3.37Å; F174-R529 VanDerWaalsContact CE1-NH1 3.34Å
175L94.1Very high93.6Very high10 Ų1053 Ų535%0.05229%0.287CS..  trans-75.1112.5176.9-174.664.3000109.6A148 T150 F154 L167 T172 V177 R529A148-L175 HydrophobicContact CB-CD1 3.81Å; A148-L175 HydrophobicContact CB-CD2 3.72Å; A148-L175 HydrophobicContact CB-CG 3.57Å; T150-L175 HydrophobicContact CG2-CD1 3.64Å; F154-L175 HydrophobicContact CD1-CD1 4.28Å; F154-L175 HydrophobicContact CE1-CD1 4.2Å; F154-L175 HydrophobicContact CE1-CD2 4.05Å; L167-L175 HydrophobicContact CB-CD2 3.94Å; L167-L175 HydrophobicContact CD1-CD2 4.44Å; T172-L175 HydrophobicContact CG2-CB 4.46Å; T172-L175 HydrophobicContact CG2-CD1 4.2Å; L175-V177 PolarHBondContact O-N 2.94Å; L175-R529 VanDerWaalsContact O-CZ 3.24Å; L175-R529 PolarHBondContact O-NH1 2.87Å; L175-R529 PolarHBondContact O-NH2 3.07Å
176K96.6Very high93.8Very high111 Ų11151.2 Ų51.248%0.48328%0.276SS..  trans-68.1121.1174.9-169.8-170.5-177.6-142.20109.2A148 F174 E178A148-K176 VanDerWaalsContact CA-O 3.28Å; A148-K176 WeakPolarHBondContact CA-O 3.31Å; A148-K176 WeakPolarHBondContact CB-O 3.35Å; F174-K176 PolarHBondContact O-N 3.37Å; K176-E178 IonicContact NZ-OE2 3.41Å; K176-E178 PolarHBondContact NZ-OE2 3.02Å
177V98.3Very high94.1Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-110.5133.3176.3177.40000107.3F146 K147 A148 A161 L164 L175 W532F146-V177 HydrophobicContact CB-CG1 4.23Å; F146-V177 HydrophobicContact CD1-CG1 4.06Å; K147-V177 WeakPolarHBondContact O-CA 3.42Å; A148-V177 HydrophobicContact CB-CG2 4.13Å; A161-V177 HydrophobicContact CB-CG1 3.99Å; L164-V177 HydrophobicContact CB-CG1 4.31Å; L164-V177 HydrophobicContact CB-CG2 3.84Å; L164-V177 HydrophobicContact CD1-CG1 3.91Å; L175-V177 PolarHBondContact O-N 2.94Å; V177-W532 HydrophobicContact CB-CZ2 4.03Å; V177-W532 HydrophobicContact CG1-CZ2 3.99Å; V177-W532 PolarHBondContact O-NE1 3.17Å
178E98.3Very high94.4Very high68 Ų6847.1 Ų47.132%0.31825%0.252SS..EExtended strand (participates in β ladder)trans-140.2149.317961.6-168.5-172.200111.5F146 K147 K176 F180F146-E178 WeakPolarHBondContact CA-O 3.25Å; K147-E178 WeakPolarHBondContact CE-OE1 3.45Å; K147-E178 HydrophobicContact CG-CG 4.05Å; K147-E178 PolarHBondContact N-O 3.42Å; K147-E178 PolarHBondContact O-N 2.82Å; K176-E178 IonicContact NZ-OE2 3.41Å; K176-E178 PolarHBondContact NZ-OE2 3.02Å; E178-F180 PolarHBondContact O-N 3.37Å
179P98.6Very high94.9Very high26 Ų2641.6 Ų41.617%0.16923%0.23CC..EExtended strand (participates in β ladder)trans-59.8135.1170.7-17.728.5000110.7F146 Y398F146-P179 HydrophobicContact CD1-CB 4.3Å; F146-P179 HydrophobicContact CD1-CG 4.19Å; F146-P179 HydrophobicContact CE1-CB 4.04Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CG 4.32Å; P179-Y398 HydrophobicContact CB-CE2 3.99Å
180F98.8Very high95.4Very high1 Ų141.4 Ų41.40%0.00423%0.229CC..PPolyproline II helixtrans-78129.8168.1-172.7-85.6000109.3L135 R137 L145 K147 E178 H184 E186L135-F180 HydrophobicContact CB-CD2 4.15Å; L135-F180 HydrophobicContact CB-CE2 3.52Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CD2 4.01Å; L135-F180 HydrophobicContact CD1-CE2 3.88Å; L135-F180 HydrophobicContact CG-CE2 4.34Å; R137-F180 HydrophobicContact CB-CD1 3.72Å; R137-F180 HydrophobicContact CB-CE1 4.01Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 2.94Å; L145-F180 HydrophobicContact CB-CB 3.92Å; L145-F180 HydrophobicContact CD2-CB 4.04Å; L145-F180 HydrophobicContact CD2-CD1 4.04Å; L145-F180 HydrophobicContact CD2-CD2 4.45Å; L145-F180 HydrophobicContact CD2-CG 3.91Å; L145-F180 HydrophobicContact CG-CB 3.88Å; L145-F180 HydrophobicContact CG-CG 4.31Å; L145-F180 WeakPolarHBondContact O-CB 3.37Å; L145-F180 PolarHBondContact O-N 2.82Å; K147-F180 HydrophobicContact CD-CD2 4.19Å; E178-F180 PolarHBondContact O-N 3.37Å; F180-H184 HydrophobicContact CE1-CB 4.2Å; F180-H184 WeakPolarHBondContact CE1-O 3.37Å; F180-H184 HydrophobicContact CZ-CB 4.48Å; F180-E186 HydrophobicContact CE2-CB 3.68Å; F180-E186 HydrophobicContact CZ-CB 3.94Å
181L98.4Very high96Very high59 Ų5940.3 Ų40.331%0.30921%0.212SC..PPolyproline II helixtrans-67.3139.7-167.9-63.5179.9000113.1H184 M201L181-H184 HydrophobicContact CB-CB 4.43Å; L181-H184 VanDerWaalsContact CB-ND1 3.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.42Å; L181-M201 HydrophobicContact CD1-CE 3.7Å; L181-M201 HydrophobicContact CG-CE 4.48Å
182P98.5Very high96.7Very high14 Ų1441.6 Ų41.69%0.09122%0.222CC..THydrogen-bonded Turntrans-59.7144.1172.2-27.637.1000114.7T139 H184 K203 Y398T139-P182 WeakPolarHBondContact O-CB 3.32Å; P182-H184 PolarHBondContact O-N 3.11Å; P182-H184 PolarHBondContact O-ND1 3.03Å; P182-K203 PolarHBondContact O-NZ 3.21Å; P182-Y398 HydrophobicContact CG-CD1 3.49Å; P182-Y398 VanDerWaalsContact CG-CD1 3.49Å; P182-Y398 HydrophobicContact CG-CD2 4.09Å; P182-Y398 HydrophobicContact CG-CE1 4.1Å; P182-Y398 HydrophobicContact CG-CG 3.47Å; P182-Y398 VanDerWaalsContact CG-CG 3.47Å
183G97.6Very high97.2Very high0 Ų044.4 Ų44.40%024%0.236CC..THydrogen-bonded Turntrans58.434.1178.700000113.5R137 D138 K203 Y204R137-G183 WeakPolarHBondContact O-CA 3.43Å; R137-G183 PolarHBondContact O-N 3.49Å; D138-G183 PolarHBondContact O-N 3.47Å; G183-K203 WeakPolarHBondContact O-CD 3.36Å; G183-K203 PolarHBondContact O-NZ 2.77Å; G183-K203 VanDerWaalsContact O-NZ 3.07Å; G183-Y204 VanDerWaalsContact O-CD1 3.24Å; G183-Y204 WeakPolarHBondContact O-CD1 3.38Å; G183-Y204 PolarHBondContact O-N 3.47Å
184H98.4Very high97.7Very high30 Ų3037.7 Ų37.714%0.13919%0.193CC..EExtended strand (participates in β ladder)trans-122.9156.9173.6-68.277.4000110.9R137 F180 L181 P182 M201 V202 K203R137-H184 PolarHBondContact N-O 3.3Å; R137-H184 VanDerWaalsContact N-O 3.12Å; F180-H184 HydrophobicContact CE1-CB 4.2Å; F180-H184 WeakPolarHBondContact CE1-O 3.37Å; F180-H184 HydrophobicContact CZ-CB 4.48Å; L181-H184 HydrophobicContact CB-CB 4.43Å; L181-H184 VanDerWaalsContact CB-ND1 3.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.42Å; P182-H184 PolarHBondContact O-N 3.11Å; P182-H184 PolarHBondContact O-ND1 3.03Å; H184-M201 HydrophobicContact CB-CG 4.48Å; H184-V202 CarbonylContact C-O 3.46Å; H184-V202 WeakPolarHBondContact CA-O 3.38Å; H184-V202 WeakPolarHBondContact CB-O 3.4Å; H184-K203 PolarHBondContact CD2-N 3.19Å; H184-K203 WeakPolarHBondContact CE1-CD 3.33Å; H184-K203 WeakPolarHBondContact NE2-CD 2.93Å
185Y98.8Very high98Very high8 Ų833.6 Ų33.63%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-122.4157.3156.767.5-87.7000110.5I110 E111 I114 L135 V187 M201 V202 Y204I110-Y185 HydrophobicContact CG1-CD2 4.24Å; I110-Y185 HydrophobicContact CG1-CG 4.46Å; I110-Y185 HydrophobicContact CG2-CD2 3.84Å; I110-Y185 HydrophobicContact CG2-CE2 3.68Å; E111-Y185 HydrophobicContact CB-CE1 4.19Å; E111-Y185 HydrophobicContact CG-CE1 4.16Å; E111-Y185 PolarHBondContact OE1-OH 3.02Å; E111-Y185 VanDerWaalsContact OE1-OH 3.05Å; I114-Y185 HydrophobicContact CG2-CD1 3.81Å; I114-Y185 HydrophobicContact CG2-CE1 4.33Å; L135-Y185 CarbonylContact O-C 3.37Å; L135-Y185 WeakPolarHBondContact O-CA 3.44Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.23Å; Y185-V187 HydrophobicContact CD2-CG2 3.88Å; Y185-V187 HydrophobicContact CE2-CG2 3.73Å; Y185-M201 CarbonylContact O-C 3.38Å; Y185-M201 WeakPolarHBondContact O-CA 3.46Å; Y185-V202 HydrophobicContact CD1-CB 4.13Å; Y185-V202 HydrophobicContact CD2-CB 4.49Å; Y185-V202 HydrophobicContact CE1-CB 3.6Å; Y185-V202 HydrophobicContact CE1-CG1 3.66Å; Y185-V202 HydrophobicContact CE1-CG2 4.42Å; Y185-V202 HydrophobicContact CE2-CB 3.99Å; Y185-V202 HydrophobicContact CE2-CG2 4.01Å; Y185-V202 PolarHBondContact N-O 3.09Å; Y185-V202 PolarHBondContact O-N 3.02Å; Y185-Y204 HydrophobicContact CD1-CD1 4.48Å
186E98.8Very high98.2Very high4 Ų433.4 Ų33.42%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-127.3135.6173.7-173.9175-166.800109.3F134 L135 K147 F180 L188 S198 E200 M201F134-E186 VanDerWaalsContact CA-O 3.3Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; L135-E186 HydrophobicContact CB-CB 4.34Å; L135-E186 PolarHBondContact N-O 3.17Å; L135-E186 PolarHBondContact O-N 3.07Å; K147-E186 IonicContact NZ-OE1 3.08Å; K147-E186 PolarHBondContact NZ-OE1 3.41Å; K147-E186 IonicContact NZ-OE2 3.66Å; K147-E186 PolarHBondContact NZ-OE2 3.3Å; F180-E186 HydrophobicContact CE2-CB 3.68Å; F180-E186 HydrophobicContact CZ-CB 3.94Å; E186-L188 HydrophobicContact CB-CD1 4.39Å; E186-L188 HydrophobicContact CG-CD1 3.91Å; E186-L188 HydrophobicContact CG-CG 4.21Å; E186-S198 WeakPolarHBondContact OE1-CB 3.38Å; E186-S198 PolarHBondContact OE1-OG 3.19Å; E186-E200 WeakPolarHBondContact CA-O 3.02Å; E186-E200 WeakPolarHBondContact CG-O 3.41Å; E186-M201 HydrophobicContact CB-CB 4.49Å; E186-M201 HydrophobicContact CB-CG 4.43Å; E186-M201 HydrophobicContact CG-CB 4.33Å
187V98.9Very high98.3Very high8 Ų829.9 Ų29.95%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-106.1127.4176.6-175.60000108.3I110 K132 F134 Y185 V199 E200I110-V187 HydrophobicContact CG2-CG2 4.25Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; F134-V187 HydrophobicContact CD1-CB 4.38Å; F134-V187 HydrophobicContact CD1-CG1 4.24Å; F134-V187 HydrophobicContact CD1-CG2 3.97Å; F134-V187 HydrophobicContact CE1-CB 4.36Å; F134-V187 HydrophobicContact CE1-CG1 3.8Å; F134-V187 HydrophobicContact CE1-CG2 3.98Å; Y185-V187 HydrophobicContact CD2-CG2 3.88Å; Y185-V187 HydrophobicContact CE2-CG2 3.73Å; V187-V199 HydrophobicContact CB-CB 4.38Å; V187-V199 HydrophobicContact CG1-CB 4.38Å; V187-V199 WeakPolarHBondContact O-CB 3.38Å; V187-V199 PolarHBondContact O-N 3.34Å; V187-E200 HydrophobicContact CB-CG 3.97Å; V187-E200 HydrophobicContact CG2-CG 3.9Å; V187-E200 PolarHBondContact N-O 3.46Å; V187-E200 PolarHBondContact O-N 2.9Å
188L98.8Very high98.3Very high0 Ų032.5 Ų32.50%018%0.184CC..EExtended strand (participates in β ladder)trans-126.6139.4175.1-50.895.7000110.8K132 V133 L135 M149 L155 E186 V196 A197K132-L188 CarbonylContact C-O 3.48Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.21Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 HydrophobicContact CB-CD1 4.45Å; V133-L188 HydrophobicContact CG1-CD1 4.45Å; V133-L188 PolarHBondContact N-O 3.26Å; V133-L188 PolarHBondContact O-N 2.92Å; L135-L188 HydrophobicContact CD1-CD1 4.4Å; L135-L188 HydrophobicContact CG-CD1 4.18Å; M149-L188 HydrophobicContact SD-CD2 3.68Å; L155-L188 HydrophobicContact CD2-CD1 4.41Å; L155-L188 HydrophobicContact CD2-CD2 4.05Å; E186-L188 HydrophobicContact CB-CD1 4.39Å; E186-L188 HydrophobicContact CG-CD1 3.91Å; E186-L188 HydrophobicContact CG-CG 4.21Å; L188-V196 HydrophobicContact CB-CB 4.15Å; L188-V196 HydrophobicContact CD2-CB 4.27Å; L188-V196 HydrophobicContact CD2-CG2 3.86Å; L188-A197 CarbonylContact C-O 3.51Å; L188-A197 VanDerWaalsContact CA-O 3.27Å; L188-A197 WeakPolarHBondContact CA-O 3.19Å
189D98.8Very high98.3Very high50 Ų5032.9 Ų32.927%0.26719%0.191SC..EExtended strand (participates in β ladder)trans-75.7126.9169.9-78.8-16.3000110.5K132 K191 V196 A197 V199K132-D189 WeakPolarHBondContact CE-OD1 3.02Å; K132-D189 IonicContact NZ-OD1 2.65Å; K132-D189 PolarHBondContact NZ-OD1 3.16Å; D189-K191 HydrophobicContact CB-CD 4.37Å; D189-K191 IonicContact OD2-NZ 3.46Å; D189-K191 PolarHBondContact OD2-NZ 2.95Å; D189-K191 VanDerWaalsContact OD2-NZ 3.08Å; D189-V196 CarbonylContact O-C 3.55Å; D189-V196 WeakPolarHBondContact O-CA 3.32Å; D189-A197 PolarHBondContact N-O 3.19Å; D189-A197 PolarHBondContact O-N 2.85Å; D189-V199 HydrophobicContact CB-CG2 4.46Å
190L98.8Very high98.2Very high8 Ų836.2 Ų36.24%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-81.7117.6167.3-177.667.1000110.2Y40 L126 K131 V196Y40-L190 HydrophobicContact CD1-CD1 4.35Å; Y40-L190 HydrophobicContact CD1-CD2 4.14Å; Y40-L190 HydrophobicContact CD1-CG 4.31Å; Y40-L190 HydrophobicContact CD2-CD2 3.83Å; Y40-L190 HydrophobicContact CE1-CD1 4.44Å; Y40-L190 HydrophobicContact CE1-CD2 3.88Å; Y40-L190 HydrophobicContact CE1-CG 3.96Å; Y40-L190 HydrophobicContact CE2-CD2 3.55Å; Y40-L190 HydrophobicContact CE2-CG 4.49Å; Y40-L190 HydrophobicContact CG-CD2 4.11Å; L126-L190 HydrophobicContact CD1-CD2 3.73Å; K131-L190 HydrophobicContact CB-CB 4.32Å; K131-L190 PolarHBondContact O-N 3.38Å; L190-V196 HydrophobicContact CD1-CG1 4.14Å
191K98.4Very high98.2Very high74 Ų7440.4 Ų40.432%0.32223%0.225SC..PPolyproline II helixtrans-83.3158178.4-54-53.3-179.9-172.40110.9Y40 D189 N193 G194 K195Y40-K191 VanDerWaalsContact CE1-O 3.29Å; Y40-K191 WeakPolarHBondContact CE1-O 3.32Å; D189-K191 HydrophobicContact CB-CD 4.37Å; D189-K191 IonicContact OD2-NZ 3.46Å; D189-K191 PolarHBondContact OD2-NZ 2.95Å; D189-K191 VanDerWaalsContact OD2-NZ 3.08Å; K191-N193 WeakPolarHBondContact CB-OD1 3.09Å; K191-N193 PolarHBondContact O-N 3.34Å; K191-N193 VanDerWaalsContact O-N 3.08Å; K191-G194 PolarHBondContact O-N 3.25Å; K191-K195 WeakPolarHBondContact CB-O 3.49Å; K191-K195 PolarHBondContact N-O 3.45Å
192P97.8Very high98.2Very high120 Ų12039.1 Ų39.178%0.77922%0.219SC*.THydrogen-bonded Turntrans-56.9-26.4-177.9-27.836.1000115.1G194P192-G194 VanDerWaalsContact C-N 3.32Å
193N96.2Very high98.1Very high96 Ų9642 Ų4251%0.51323%0.23SC..THydrogen-bonded Turntrans-88.27.7177.267.2-8.7000113.7N42 K191 K195N42-N193 PolarHBondContact ND2-O 2.9Å; K191-N193 WeakPolarHBondContact CB-OD1 3.09Å; K191-N193 PolarHBondContact O-N 3.34Å; K191-N193 VanDerWaalsContact O-N 3.08Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.06Å; N193-K195 WeakPolarHBondContact OD1-CB 3.36Å; N193-K195 PolarHBondContact OD1-N 3.4Å
194G97.4Very high98Very high0 Ų043.4 Ų43.40%024%0.236CC..SBendtrans84.5-11-179.800000115.5F8 G9 C43 K191 P192F8-G194 CarbonylContact C-O 3.39Å; G9-G194 WeakPolarHBondContact CA-O 3.46Å; G9-G194 PolarHBondContact N-O 3.28Å; C43-G194 PolarHBondContact SG-O 3.18Å; K191-G194 PolarHBondContact O-N 3.25Å; P192-G194 VanDerWaalsContact C-N 3.32Å
195K98.1Very high97.5Very high19 Ų1942.6 Ų42.68%0.08323%0.232CC..  trans-66.7163.3171.1-59.2-76.4177.2175.40110.3G9 D11 D152 G153 H169 K191 N193G9-K195 WeakPolarHBondContact O-CD 3.49Å; G9-K195 WeakPolarHBondContact O-CE 3.24Å; G9-K195 PolarHBondContact O-NZ 3.29Å; D11-K195 IonicContact OD1-NZ 3.88Å; D11-K195 PolarHBondContact OD1-NZ 2.76Å; D11-K195 IonicContact OD2-NZ 3.12Å; D152-K195 WeakPolarHBondContact O-CD 3.47Å; D152-K195 IonicContact OD2-NZ 3.11Å; D152-K195 PolarHBondContact OD2-NZ 3.08Å; G153-K195 CarbonylContact O-C 3.54Å; G153-K195 WeakPolarHBondContact O-CA 3.32Å; G153-K195 WeakPolarHBondContact O-CB 3.38Å; H169-K195 PolarHBondContact CE1-NZ 2.76Å; H169-K195 VanDerWaalsContact CE1-NZ 3.29Å; K191-K195 WeakPolarHBondContact CB-O 3.49Å; K191-K195 PolarHBondContact N-O 3.45Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.06Å; N193-K195 WeakPolarHBondContact OD1-CB 3.36Å; N193-K195 PolarHBondContact OD1-N 3.4Å
196V98.6Very high96.7Very high5 Ų547.6 Ų47.63%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-125.2157.4178.7-61.10000112.5F8 V133 G153 L155 L188 D189 L190F8-V196 HydrophobicContact CB-CG1 3.79Å; F8-V196 HydrophobicContact CG-CG1 4.25Å; V133-V196 HydrophobicContact CG2-CG1 4.01Å; G153-V196 WeakPolarHBondContact CA-O 3.48Å; G153-V196 PolarHBondContact O-N 3.26Å; L155-V196 HydrophobicContact CB-CG2 3.42Å; L155-V196 VanDerWaalsContact CB-CG2 3.42Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; L155-V196 HydrophobicContact CG-CG2 4.32Å; L188-V196 HydrophobicContact CB-CB 4.15Å; L188-V196 HydrophobicContact CD2-CB 4.27Å; L188-V196 HydrophobicContact CD2-CG2 3.86Å; D189-V196 CarbonylContact O-C 3.55Å; D189-V196 WeakPolarHBondContact O-CA 3.32Å; L190-V196 HydrophobicContact CD1-CG1 4.14Å
197A98.5Very high95.6Very high38 Ų3848.1 Ų48.131%0.31426%0.259SS..EExtended strand (participates in β ladder)trans-132.2126.9168.800000109.4L188 D189L188-A197 CarbonylContact C-O 3.51Å; L188-A197 VanDerWaalsContact CA-O 3.27Å; L188-A197 WeakPolarHBondContact CA-O 3.19Å; D189-A197 PolarHBondContact N-O 3.19Å; D189-A197 PolarHBondContact O-N 2.85Å
198S97.4Very high94.7Very high54 Ų5452.5 Ų52.538%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-64.3135.1176.4-170.80000110.3E186E186-S198 WeakPolarHBondContact OE1-CB 3.38Å; E186-S198 PolarHBondContact OE1-OG 3.19Å
199V97.9Very high93.9Very high77 Ų7755.9 Ų55.947%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-101.6-53.2178.1179.10000108.8V187 D189V187-V199 HydrophobicContact CB-CB 4.38Å; V187-V199 HydrophobicContact CG1-CB 4.38Å; V187-V199 WeakPolarHBondContact O-CB 3.38Å; V187-V199 PolarHBondContact O-N 3.34Å; D189-V199 HydrophobicContact CB-CG2 4.46Å
200E98.1Very high93.3Very high95 Ų9560.7 Ų60.744%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-156.7151.5-178.261.2-172.8160.400111.4E186 V187 V202E186-E200 WeakPolarHBondContact CA-O 3.02Å; E186-E200 WeakPolarHBondContact CG-O 3.41Å; V187-E200 HydrophobicContact CB-CG 3.97Å; V187-E200 HydrophobicContact CG2-CG 3.9Å; V187-E200 PolarHBondContact N-O 3.46Å; V187-E200 PolarHBondContact O-N 2.9Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.89Å
201M98.3Very high92.8Very high90 Ų9060.6 Ų60.644%0.44331%0.314SS..EExtended strand (participates in β ladder)trans-122.8120.6168-175.9169.878.100108.1L181 H184 Y185 E186L181-M201 HydrophobicContact CD1-CE 3.7Å; L181-M201 HydrophobicContact CG-CE 4.48Å; H184-M201 HydrophobicContact CB-CG 4.48Å; Y185-M201 CarbonylContact O-C 3.38Å; Y185-M201 WeakPolarHBondContact O-CA 3.46Å; E186-M201 HydrophobicContact CB-CB 4.49Å; E186-M201 HydrophobicContact CB-CG 4.43Å; E186-M201 HydrophobicContact CG-CB 4.33Å
202V98.4Very high92.3Very high31 Ų3161.1 Ų61.119%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-124129.3-165.2-178.40000110.1H184 Y185 E200H184-V202 CarbonylContact C-O 3.46Å; H184-V202 WeakPolarHBondContact CA-O 3.38Å; H184-V202 WeakPolarHBondContact CB-O 3.4Å; Y185-V202 HydrophobicContact CD1-CB 4.13Å; Y185-V202 HydrophobicContact CD2-CB 4.49Å; Y185-V202 HydrophobicContact CE1-CB 3.6Å; Y185-V202 HydrophobicContact CE1-CG1 3.66Å; Y185-V202 HydrophobicContact CE1-CG2 4.42Å; Y185-V202 HydrophobicContact CE2-CB 3.99Å; Y185-V202 HydrophobicContact CE2-CG2 4.01Å; Y185-V202 PolarHBondContact N-O 3.09Å; Y185-V202 PolarHBondContact O-N 3.02Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.89Å
203K97.1Very high91.9Very high75 Ų7555.5 Ų55.533%0.32628%0.283SS..EExtended strand (participates in β ladder)trans-76.2121.9167.6-173.384.1-179.5101.80108.3P182 G183 H184 H205P182-K203 PolarHBondContact O-NZ 3.21Å; G183-K203 WeakPolarHBondContact O-CD 3.36Å; G183-K203 PolarHBondContact O-NZ 2.77Å; G183-K203 VanDerWaalsContact O-NZ 3.07Å; H184-K203 PolarHBondContact CD2-N 3.19Å; H184-K203 WeakPolarHBondContact CE1-CD 3.33Å; H184-K203 WeakPolarHBondContact NE2-CD 2.93Å; K203-H205 WeakPolarHBondContact CE-O 3.36Å; K203-H205 PolarHBondContact NZ-O 2.79Å
204Y94.9Very high91.5Very high30 Ų3051.3 Ų51.312%0.11826%0.262CS..  trans-103.8-14.1-176.677.1-96.8000114.1I114 R137 D138 T139 G183 Y185I114-Y204 HydrophobicContact CD1-CD1 3.63Å; I114-Y204 HydrophobicContact CD1-CE1 3.42Å; I114-Y204 VanDerWaalsContact CD1-CE1 3.42Å; I114-Y204 HydrophobicContact CD1-CG 4.42Å; I114-Y204 HydrophobicContact CG1-CD1 3.97Å; I114-Y204 HydrophobicContact CG1-CD2 4.44Å; I114-Y204 HydrophobicContact CG1-CE1 3.68Å; I114-Y204 HydrophobicContact CG1-CE2 4.22Å; I114-Y204 HydrophobicContact CG1-CG 4.35Å; I114-Y204 HydrophobicContact CG2-CD1 4Å; I114-Y204 HydrophobicContact CG2-CD2 4.06Å; I114-Y204 HydrophobicContact CG2-CG 3.74Å; R137-Y204 WeakPolarHBondContact O-CE1 3.38Å; D138-Y204 WeakPolarHBondContact CA-OH 3.26Å; T139-Y204 PolarHBondContact N-OH 3.45Å; G183-Y204 VanDerWaalsContact O-CD1 3.24Å; G183-Y204 WeakPolarHBondContact O-CD1 3.38Å; G183-Y204 PolarHBondContact O-N 3.47Å; Y185-Y204 HydrophobicContact CD1-CD1 4.48Å
205H86.7Confident91Very high12 Ų1257.6 Ų57.66%0.05630%0.295CS..  trans-150.4130-177.5-176.2-110.6000111.6T139 K203 D209T139-H205 WeakPolarHBondContact CG2-ND1 3.34Å; T139-H205 PolarHBondContact OG1-ND1 2.72Å; K203-H205 WeakPolarHBondContact CE-O 3.36Å; K203-H205 PolarHBondContact NZ-O 2.79Å; H205-D209 PolarHBondContact NE2-O 3.29Å; H205-D209 VanDerWaalsContact NE2-O 3.08Å
206H82.3Confident90.2Very high113 Ų11359.5 Ų59.552%0.52330%0.302SS..  trans-97.6143.3164-59.2-104.1000109.6R208 D209H206-R208 PolarHBondContact O-N 3.22Å; H206-D209 VanDerWaalsContact CB-OD2 3.24Å; H206-D209 WeakPolarHBondContact CB-OD2 3.49Å; H206-D209 IonicContact CD2-OD2 2.78Å; H206-D209 PolarHBondContact CD2-OD2 2.88Å; H206-D209 IonicContact CG-OD2 3.96Å; H206-D209 PolarHBondContact N-OD2 3.34Å; H206-D209 WeakPolarHBondContact O-CB 3.39Å; H206-D209 PolarHBondContact O-N 3.14Å
207C76.6Confident89.3Confident15 Ų1561.4 Ų61.410%0.10131%0.312CS..THydrogen-bonded Turntrans-59.5-22.8-172.760.30000115.3Y140 S427 L430Y140-C207 HydrophobicContact CE1-CB 3.78Å; C207-S427 PolarHBondContact O-OG 3.48Å; C207-L430 HydrophobicContact CB-CD1 3.94Å; C207-L430 VanDerWaalsContact O-CD1 3.29Å; C207-L430 WeakPolarHBondContact O-CD1 3.23Å
208R79.1Confident87.7Confident101 Ų10166.2 Ų66.238%0.38133%0.332SS..THydrogen-bonded Turntrans-81.4-22.1174.5-68-161.2-170.2-152.716.3113.7H206 E210 E387 E391 L430H206-R208 PolarHBondContact O-N 3.22Å; R208-E210 PolarHBondContact O-N 2.72Å; R208-E387 IonicContact CZ-OE1 3.47Å; R208-E387 VanDerWaalsContact CZ-OE1 3.23Å; R208-E387 IonicContact CZ-OE2 3.47Å; R208-E387 IonicContact NH1-OE1 3.9Å; R208-E387 PolarHBondContact NH1-OE1 3.25Å; R208-E387 IonicContact NH1-OE2 2.75Å; R208-E387 PolarHBondContact NH1-OE2 3.3Å; R208-E387 VanDerWaalsContact NH1-OE2 3.16Å; R208-E387 IonicContact NH2-OE1 3.27Å; R208-E387 PolarHBondContact NH2-OE1 3.2Å; R208-E387 IonicContact NH2-OE2 3.49Å; R208-E387 PolarHBondContact NH2-OE2 2.97Å; R208-E391 IonicContact CZ-OE1 3.57Å; R208-E391 IonicContact NE-OE1 3.07Å; R208-E391 PolarHBondContact NE-OE1 3.36Å; R208-E391 IonicContact NH2-OE1 2.87Å; R208-E391 PolarHBondContact NH2-OE1 3.26Å; R208-L430 HydrophobicContact CG-CB 4.36Å
209D82.8Confident86Confident71 Ų7164.9 Ų64.938%0.3832%0.322SS..SBendtrans-68.2137.1-174.3-55.9-22.1000109H205 H206 S427H205-D209 PolarHBondContact NE2-O 3.29Å; H205-D209 VanDerWaalsContact NE2-O 3.08Å; H206-D209 VanDerWaalsContact CB-OD2 3.24Å; H206-D209 WeakPolarHBondContact CB-OD2 3.49Å; H206-D209 IonicContact CD2-OD2 2.78Å; H206-D209 PolarHBondContact CD2-OD2 2.88Å; H206-D209 IonicContact CG-OD2 3.96Å; H206-D209 PolarHBondContact N-OD2 3.34Å; H206-D209 WeakPolarHBondContact O-CB 3.39Å; H206-D209 PolarHBondContact O-N 3.14Å; D209-S427 PolarHBondContact O-OG 3.14Å
210E85.3Confident84.2Confident151 Ų15167.1 Ų67.171%0.70633%0.331SS*.PPolyproline II helixtrans-62.4123.3164.9-170.9173.7-160.300107.8R208 A214R208-E210 PolarHBondContact O-N 2.72Å; E210-A214 HydrophobicContact CG-CB 3.85Å
211P88.2Confident82.6Confident6 Ų671.8 Ų71.84%0.03935%0.35CS..PPolyproline II helixtrans-67.7140.8-174.229.8-37.6000110.2H213 A214 H423 R424P211-H213 WeakPolarHBondContact CB-NE2 3.43Å; P211-H213 WeakPolarHBondContact CG-NE2 3.15Å; P211-H213 PolarHBondContact O-N 3.38Å; P211-H213 VanDerWaalsContact O-N 3.08Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.21Å; P211-A214 PolarHBondContact O-N 2.57Å; P211-H423 HydrophobicContact CB-CB 4.12Å; P211-H423 HydrophobicContact CG-CB 3.86Å; P211-R424 HydrophobicContact CG-CG 4.28Å
212L88.7Confident81.7Confident84 Ų8470.6 Ų70.644%0.4435%0.345SS..G310 helixtrans-56.9-32.4-175.9-174.566.6000113C115 M116 A214 L215C115-L212 HydrophobicContact CB-CB 4.11Å; C115-L212 HydrophobicContact CB-CD2 3.77Å; M116-L212 HydrophobicContact CG-CD2 4.38Å; L212-A214 PolarHBondContact O-N 2.88Å; L212-A214 VanDerWaalsContact O-N 3.14Å; L212-L215 HydrophobicContact CD1-CD1 3.68Å; L212-L215 HydrophobicContact CG-CD1 4.49Å; L212-L215 WeakPolarHBondContact O-CG 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å
213H90.3Very high80.8Confident2 Ų274.4 Ų74.41%0.00936%0.359CS..G310 helixtrans-62.2-17.4175.87272.5000113.9M116 D118 P211 L215 Y216 H423M116-H213 WeakPolarHBondContact O-CB 3.33Å; D118-H213 VanDerWaalsContact CB-CE1 3.42Å; D118-H213 WeakPolarHBondContact CB-CE1 3.4Å; D118-H213 IonicContact OD1-CE1 3.51Å; D118-H213 PolarHBondContact OD1-CE1 2.73Å; D118-H213 IonicContact OD1-NE2 3.54Å; D118-H213 IonicContact OD2-CE1 3.88Å; P211-H213 WeakPolarHBondContact CB-NE2 3.43Å; P211-H213 WeakPolarHBondContact CG-NE2 3.15Å; P211-H213 PolarHBondContact O-N 3.38Å; P211-H213 VanDerWaalsContact O-N 3.08Å; H213-L215 PolarHBondContact O-N 3.29Å; H213-Y216 PolarHBondContact O-N 3.33Å; H213-H423 AromaticContact NE2-CG 3.87Å; H213-H423 AromaticContact NE2-ND1 3.38Å; H213-H423 PolarHBondContact NE2-ND1 3.49Å
214A87.8Confident80.1Confident9 Ų976.5 Ų76.57%0.07438%0.38CS..G310 helixtrans-60.2-26.4175.500000112.6E210 P211 L212 Y216 D217 R424E210-A214 HydrophobicContact CG-CB 3.85Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.21Å; P211-A214 PolarHBondContact O-N 2.57Å; L212-A214 PolarHBondContact O-N 2.88Å; L212-A214 VanDerWaalsContact O-N 3.14Å; A214-Y216 PolarHBondContact O-N 2.92Å; A214-D217 PolarHBondContact O-N 3.21Å; A214-R424 VanDerWaalsContact CA-NH2 3.33Å; A214-R424 PolarHBondContact O-NH2 2.75Å
215L85.3Confident79.8Confident131 Ų13176.8 Ų76.869%0.68639%0.392SS*.G310 helixtrans-59.7-27.8174.2-65.3175000113.1L212 H213L212-L215 HydrophobicContact CD1-CD1 3.68Å; L212-L215 HydrophobicContact CG-CD1 4.49Å; L212-L215 WeakPolarHBondContact O-CG 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å; H213-L215 PolarHBondContact O-N 3.29Å
216Y82.9Confident80.2Confident60 Ų6080.8 Ų80.824%0.23541%0.41CS..G310 helixtrans-95.9-2-179.3-58.2-82.1000111.6K83 M84 H87 F88 M116 H213 A214K83-Y216 WeakPolarHBondContact CD-O 3.32Å; K83-Y216 WeakPolarHBondContact CE-O 3.28Å; K83-Y216 PolarHBondContact NZ-O 3.27Å; M84-Y216 HydrophobicContact CE-CD2 4.41Å; M84-Y216 HydrophobicContact SD-CD2 4.25Å; M84-Y216 HydrophobicContact SD-CG 4.04Å; H87-Y216 AromaticContact CD2-CD1 3.73Å; H87-Y216 AromaticContact CD2-CE1 3.63Å; H87-Y216 AromaticContact CE1-CD1 3.99Å; H87-Y216 AromaticContact CG-CD1 3.99Å; H87-Y216 AromaticContact NE2-CD1 3.73Å; H87-Y216 AromaticContact NE2-CE1 3.39Å; H87-Y216 WeakPolarHBondContact NE2-CE1 3.2Å; F88-Y216 HydrophobicContact CE2-CE1 4.26Å; F88-Y216 AromaticContact CZ-CE1 3.74Å; F88-Y216 HydrophobicContact CZ-CE1 3.74Å; F88-Y216 AromaticContact CZ-CZ 3.9Å; M116-Y216 HydrophobicContact CE-CD2 4.32Å; M116-Y216 HydrophobicContact CE-CE2 3.57Å; H213-Y216 PolarHBondContact O-N 3.33Å; A214-Y216 PolarHBondContact O-N 2.92Å
217D77.9Confident80.8Confident44 Ų4481 Ų8124%0.23541%0.411CS..  trans-103.5117.7-174.5-170.227.7000114.5K83 A214 V219 R424K83-D217 IonicContact NZ-OD1 2.67Å; K83-D217 PolarHBondContact NZ-OD1 3.27Å; A214-D217 PolarHBondContact O-N 3.21Å; D217-V219 PolarHBondContact O-N 3.02Å; D217-V219 VanDerWaalsContact OD2-CG2 3.24Å; D217-V219 WeakPolarHBondContact OD2-CG2 3.06Å; D217-R424 VanDerWaalsContact CB-NH1 3.29Å; D217-R424 PolarHBondContact O-NH2 2.79Å; D217-R424 IonicContact OD1-NH1 2.82Å; D217-R424 IonicContact OD2-CZ 3.16Å; D217-R424 VanDerWaalsContact OD2-CZ 3.25Å; D217-R424 IonicContact OD2-NE 3.23Å; D217-R424 IonicContact OD2-NH1 2.72Å; D217-R424 PolarHBondContact OD2-NH1 2.98Å
218N65.8Low81.8Confident139 Ų13983.7 Ų83.774%0.74342%0.424SS*.  trans-95.229.8-167.9-66.8-12.4000109.9D220N218-D220 PolarHBondContact O-N 2.91Å
219V62.7Low82.6Confident26 Ų2683.5 Ų83.516%0.15843%0.427CS..  trans-51.4137.6172.3171.40000107.4D217 K221 I237 N241D217-V219 PolarHBondContact O-N 3.02Å; D217-V219 VanDerWaalsContact OD2-CG2 3.24Å; D217-V219 WeakPolarHBondContact OD2-CG2 3.06Å; V219-K221 PolarHBondContact O-N 3.33Å; V219-I237 HydrophobicContact CG1-CG2 3.69Å; V219-N241 WeakPolarHBondContact CG1-ND2 3.23Å; V219-N241 WeakPolarHBondContact CG2-ND2 2.81Å
220D58.6Low83.2Confident125 Ų12581.6 Ų81.667%0.66842%0.418SS*.SBendtrans-39117.4173.4-63.1-47.7000108.2N218 L222N218-D220 PolarHBondContact O-N 2.91Å; D220-L222 PolarHBondContact O-N 2.5Å
221K64.6Low83.8Confident193 Ų19374.4 Ų74.484%0.83938%0.384SS*.  trans-43.6117.7-168.2-78.2-177.9176.5-179.40109.3V219 F223V219-K221 PolarHBondContact O-N 3.33Å; K221-F223 PolarHBondContact O-N 2.81Å
222L80.6Confident84.2Confident65 Ų6575 Ų7534%0.3439%0.386SS..PPolyproline II helixtrans-53.7136.8173.6-62.7179.1000108D220 N234 L238 Y428D220-L222 PolarHBondContact O-N 2.5Å; L222-N234 HydrophobicContact CD2-CB 4.02Å; L222-L238 HydrophobicContact CD1-CD1 4.07Å; L222-L238 HydrophobicContact CD1-CD2 4.34Å; L222-L238 HydrophobicContact CD2-CD1 4.13Å; L222-L238 HydrophobicContact CD2-CD2 4.05Å; L222-L238 HydrophobicContact CD2-CG 3.92Å; L222-Y428 HydrophobicContact CD1-CD2 4.04Å; L222-Y428 HydrophobicContact CD1-CE2 4.42Å
223F79.5Confident84.6Confident110 Ų11073.4 Ų73.448%0.48238%0.379SS..PPolyproline II helixtrans-72133-179.5-60-90000108.5K221 T230 N233 N234 I237K221-F223 PolarHBondContact O-N 2.81Å; F223-T230 HydrophobicContact CB-CG2 3.55Å; F223-T230 WeakPolarHBondContact O-CG2 3.4Å; F223-N233 WeakPolarHBondContact CD2-ND2 3.39Å; F223-N233 WeakPolarHBondContact CE2-ND2 2.89Å; F223-N234 WeakPolarHBondContact CD2-OD1 3.39Å; F223-N234 PolarHBondContact N-OD1 3.36Å; F223-N234 PolarHBondContact O-ND2 3.43Å; F223-I237 HydrophobicContact CE2-CD1 4.4Å
224P81.6Confident84.8Confident119 Ų11973.3 Ų73.377%0.77338%0.378SS*.SBendtrans-69.6155178.830.7-35.1000110.6
225G88.5Confident85.3Confident36 Ų3673 Ų7337%0.37138%0.375SS..SBendtrans96.7171.1179.600000113.7E227G225-E227 WeakPolarHBondContact CA-OE2 3.44Å
226F94.3Very high85.9Confident97 Ų9769.2 Ų69.243%0.42535%0.352SS..  trans-120.924.5-179.4-63.3-64.5000111.9V231 L432 P433 M436F226-V231 HydrophobicContact CB-CG2 4.33Å; F226-V231 HydrophobicContact CD1-CG2 4.26Å; F226-L432 HydrophobicContact CD1-CD2 3.68Å; F226-L432 HydrophobicContact CE1-CD2 3.83Å; F226-P433 HydrophobicContact CB-CG 4.36Å; F226-P433 HydrophobicContact CD2-CG 4.19Å; F226-P433 HydrophobicContact CG-CG 4.19Å; F226-M436 HydrophobicContact CB-SD 4.24Å
227E96.8Very high86.5Confident117 Ų11767.9 Ų67.955%0.54735%0.348SS..  trans-60.1139.3169.3-60.177.9-17100109.7G225 E229 T230 V231G225-E227 WeakPolarHBondContact CA-OE2 3.44Å; E227-E229 VanDerWaalsContact C-N 3.3Å; E227-E229 PolarHBondContact O-N 3.25Å; E227-T230 WeakPolarHBondContact O-CA 3.45Å; E227-T230 VanDerWaalsContact O-CB 3.28Å; E227-T230 WeakPolarHBondContact O-CB 3.31Å; E227-T230 PolarHBondContact O-N 2.88Å; E227-V231 PolarHBondContact O-N 3.31Å
228I96.2Very high87.3Confident72 Ų7265.9 Ų65.937%0.36934%0.338SS..Hα-helixtrans-57-39.7-169.3-171.659.6000113.5V231 K232 M436 L447I228-V231 PolarHBondContact O-N 2.9Å; I228-K232 HydrophobicContact CD1-CG 4.4Å; I228-K232 HydrophobicContact CG1-CD 4.43Å; I228-K232 WeakPolarHBondContact O-CB 3.49Å; I228-K232 VanDerWaalsContact O-CG 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.42Å; I228-K232 PolarHBondContact O-N 3.33Å; I228-M436 HydrophobicContact CD1-CE 3.96Å; I228-L447 HydrophobicContact CD1-CD1 3.57Å
229E95.9Very high88.9Confident97 Ų9759.3 Ų59.345%0.45330%0.302SS..Hα-helixtrans-68.5-38.6177-66.2-49.3135.100112.6E227 K232 N233E227-E229 VanDerWaalsContact C-N 3.3Å; E227-E229 PolarHBondContact O-N 3.25Å; E229-K232 VanDerWaalsContact CD-NZ 3.27Å; E229-K232 WeakPolarHBondContact OE1-CE 3.49Å; E229-K232 IonicContact OE1-NZ 3.82Å; E229-K232 PolarHBondContact OE1-NZ 3.48Å; E229-K232 WeakPolarHBondContact OE2-CE 3.32Å; E229-K232 IonicContact OE2-NZ 2.61Å; E229-K232 PolarHBondContact OE2-NZ 3.06Å; E229-K232 VanDerWaalsContact OE2-NZ 3.14Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.31Å; E229-N233 PolarHBondContact O-N 2.84Å
230T95.9Very high90.6Very high30 Ų3059.4 Ų59.418%0.18430%0.302CS..Hα-helixtrans-59.6-49.3173.2-630000110.3F223 E227 N233 N234F223-T230 HydrophobicContact CB-CG2 3.55Å; F223-T230 WeakPolarHBondContact O-CG2 3.4Å; E227-T230 WeakPolarHBondContact O-CA 3.45Å; E227-T230 VanDerWaalsContact O-CB 3.28Å; E227-T230 WeakPolarHBondContact O-CB 3.31Å; E227-T230 PolarHBondContact O-N 2.88Å; T230-N233 PolarHBondContact O-N 3.08Å; T230-N234 WeakPolarHBondContact O-CB 3.3Å; T230-N234 PolarHBondContact O-N 3.19Å; T230-N234 PolarHBondContact O-ND2 2.96Å
231V97.1Very high92.4Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-61-51.2179.2172.20000111.2F226 E227 I228 N233 N234 L235 L432 M436 L447F226-V231 HydrophobicContact CB-CG2 4.33Å; F226-V231 HydrophobicContact CD1-CG2 4.26Å; E227-V231 PolarHBondContact O-N 3.31Å; I228-V231 PolarHBondContact O-N 2.9Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.16Å; V231-N234 PolarHBondContact O-N 3.33Å; V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.28Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.31Å; V231-L432 HydrophobicContact CB-CD2 4.45Å; V231-L432 HydrophobicContact CG1-CD1 3.8Å; V231-L432 HydrophobicContact CG1-CD2 3.74Å; V231-L432 HydrophobicContact CG1-CG 4.45Å; V231-L432 HydrophobicContact CG2-CD2 3.84Å; V231-M436 HydrophobicContact CB-CE 4.26Å; V231-M436 HydrophobicContact CG1-CE 4.34Å; V231-M436 HydrophobicContact CG2-CE 3.9Å; V231-L447 HydrophobicContact CG1-CD1 4.18Å; V231-L447 HydrophobicContact CG1-CD2 4.1Å
232K97.4Very high94Very high18 Ų1846.2 Ų46.28%0.07824%0.241CC..Hα-helixtrans-57.8-40.4177.3-71.9-173.1-61.1177.30111.5I228 E229 R236 L447 E450I228-K232 HydrophobicContact CD1-CG 4.4Å; I228-K232 HydrophobicContact CG1-CD 4.43Å; I228-K232 WeakPolarHBondContact O-CB 3.49Å; I228-K232 VanDerWaalsContact O-CG 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.42Å; I228-K232 PolarHBondContact O-N 3.33Å; E229-K232 VanDerWaalsContact CD-NZ 3.27Å; E229-K232 WeakPolarHBondContact OE1-CE 3.49Å; E229-K232 IonicContact OE1-NZ 3.82Å; E229-K232 PolarHBondContact OE1-NZ 3.48Å; E229-K232 WeakPolarHBondContact OE2-CE 3.32Å; E229-K232 IonicContact OE2-NZ 2.61Å; E229-K232 PolarHBondContact OE2-NZ 3.06Å; E229-K232 VanDerWaalsContact OE2-NZ 3.14Å; K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.07Å; K232-L447 HydrophobicContact CG-CD1 4.42Å; K232-E450 HydrophobicContact CD-CB 4.05Å
233N95.8Very high94.9Very high52 Ų5243.1 Ų43.128%0.27823%0.225SC..Hα-helixtrans-66.6-47.4178.7-167.458.4000112.6F223 E229 T230 V231 L235 R236 I237F223-N233 WeakPolarHBondContact CD2-ND2 3.39Å; F223-N233 WeakPolarHBondContact CE2-ND2 2.89Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.31Å; E229-N233 PolarHBondContact O-N 2.84Å; T230-N233 PolarHBondContact O-N 3.08Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.16Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 3.41Å; N233-R236 PolarHBondContact O-N 3.3Å; N233-I237 WeakPolarHBondContact O-CG1 3.29Å; N233-I237 PolarHBondContact O-N 2.79Å
234N95.8Very high95.8Very high0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-60.4-43.2176.6-73.4-19.4000111.3L222 F223 T230 V231 R236 I237 L238 Y428L222-N234 HydrophobicContact CD2-CB 4.02Å; F223-N234 WeakPolarHBondContact CD2-OD1 3.39Å; F223-N234 PolarHBondContact N-OD1 3.36Å; F223-N234 PolarHBondContact O-ND2 3.43Å; T230-N234 WeakPolarHBondContact O-CB 3.3Å; T230-N234 PolarHBondContact O-N 3.19Å; T230-N234 PolarHBondContact O-ND2 2.96Å; V231-N234 PolarHBondContact O-N 3.33Å; N234-R236 PolarHBondContact O-N 3.01Å; N234-I237 PolarHBondContact O-N 3.22Å; N234-L238 WeakPolarHBondContact O-CB 3.39Å; N234-L238 VanDerWaalsContact O-CG 3.28Å; N234-L238 WeakPolarHBondContact O-CG 3.43Å; N234-L238 PolarHBondContact O-N 3.11Å; N234-Y428 HydrophobicContact CB-CD1 4.39Å; N234-Y428 HydrophobicContact CB-CE1 3.57Å; N234-Y428 HydrophobicContact CB-CE2 4.23Å; N234-Y428 VanDerWaalsContact CB-CZ 3.49Å; N234-Y428 WeakPolarHBondContact CB-OH 3.46Å; N234-Y428 PolarHBondContact ND2-OH 3.25Å
235L97.4Very high96.6Very high1 Ų139.5 Ų39.51%0.00520%0.196CC..Hα-helixtrans-61.3-42.8176.3-72.1176.5000112.5V231 N233 F239 F425 Y428 Y429 L447 T451V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.28Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.31Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 3.41Å; L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 2.83Å; L235-F425 HydrophobicContact CD2-CD2 4.46Å; L235-F425 HydrophobicContact CD2-CE2 3.89Å; L235-F425 HydrophobicContact CD2-CZ 4.47Å; L235-Y428 HydrophobicContact CD2-CD1 3.75Å; L235-Y428 HydrophobicContact CD2-CE1 4.05Å; L235-Y428 HydrophobicContact CG-CD1 4.31Å; L235-Y428 HydrophobicContact CG-CE1 4.11Å; L235-Y429 HydrophobicContact CD1-CD2 4.21Å; L235-Y429 HydrophobicContact CD1-CE2 4.19Å; L235-Y429 HydrophobicContact CD2-CD2 3.63Å; L235-Y429 HydrophobicContact CD2-CE2 4.4Å; L235-Y429 HydrophobicContact CD2-CG 4.48Å; L235-L447 HydrophobicContact CD1-CD2 4.05Å; L235-L447 HydrophobicContact CD1-CG 4.05Å; L235-T451 HydrophobicContact CB-CG2 3.72Å
236R97.6Very high97Very high52 Ų5238 Ų3820%0.19618%0.179CC..Hα-helixtrans-60.7-46.8173.9-75.2-175.9-67.4-994.2111.6K232 N233 N234 N240 T451 F452K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.07Å; N233-R236 PolarHBondContact O-N 3.3Å; N234-R236 PolarHBondContact O-N 3.01Å; R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 VanDerWaalsContact O-CG 3.3Å; R236-N240 PolarHBondContact O-N 3.37Å; R236-N240 PolarHBondContact O-ND2 2.71Å; R236-T451 VanDerWaalsContact CD-O 3.3Å; R236-T451 WeakPolarHBondContact CD-O 3.24Å; R236-T451 HydrophobicContact CG-CG2 3.64Å; R236-T451 WeakPolarHBondContact CG-O 3.3Å; R236-T451 PolarHBondContact NH1-O 2.73Å; R236-F452 HydrophobicContact CG-CD1 4.34Å; R236-F452 HydrophobicContact CG-CE1 4.1Å
237I96Very high97.3Very high32 Ų3234.8 Ų34.816%0.16417%0.167CC..Hα-helixtrans-60.8-51.3179.8-69.1166.6000110V219 F223 N233 N234 F239 N240 N241V219-I237 HydrophobicContact CG1-CG2 3.69Å; F223-I237 HydrophobicContact CE2-CD1 4.4Å; N233-I237 WeakPolarHBondContact O-CG1 3.29Å; N233-I237 PolarHBondContact O-N 2.79Å; N234-I237 PolarHBondContact O-N 3.22Å; I237-F239 PolarHBondContact O-N 3.26Å; I237-N240 PolarHBondContact O-N 2.73Å; I237-N241 WeakPolarHBondContact O-CB 3.34Å; I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.19Å
238L96.3Very high97.3Very high3 Ų330.7 Ų30.72%0.01615%0.148CC..Hα-helixtrans-64.5-41.3-177.3-69.8173.3000112.4L222 N234 N241 A242 R424 F425 Y428L222-L238 HydrophobicContact CD1-CD1 4.07Å; L222-L238 HydrophobicContact CD1-CD2 4.34Å; L222-L238 HydrophobicContact CD2-CD1 4.13Å; L222-L238 HydrophobicContact CD2-CD2 4.05Å; L222-L238 HydrophobicContact CD2-CG 3.92Å; N234-L238 WeakPolarHBondContact O-CB 3.39Å; N234-L238 VanDerWaalsContact O-CG 3.28Å; N234-L238 WeakPolarHBondContact O-CG 3.43Å; N234-L238 PolarHBondContact O-N 3.11Å; L238-N241 PolarHBondContact O-N 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.41Å; L238-R424 HydrophobicContact CD2-CB 4.1Å; L238-F425 HydrophobicContact CB-CB 4.26Å; L238-F425 HydrophobicContact CB-CD2 3.94Å; L238-Y428 HydrophobicContact CD1-CD1 3.66Å; L238-Y428 HydrophobicContact CD1-CD2 4.23Å; L238-Y428 HydrophobicContact CD1-CG 3.47Å; L238-Y428 VanDerWaalsContact CD1-CG 3.47Å
239F98.4Very high97.5Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-68.3-41.7177.5-166.9-106.2000112.2L235 I237 N241 A242 V243 L265 V266 T269 P419 F420 F425 F452L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 2.83Å; I237-F239 PolarHBondContact O-N 3.26Å; F239-N241 VanDerWaalsContact C-N 3.29Å; F239-N241 PolarHBondContact O-N 3.34Å; F239-A242 WeakPolarHBondContact O-CB 3.29Å; F239-A242 PolarHBondContact O-N 2.68Å; F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.3Å; F239-V243 PolarHBondContact O-N 2.65Å; F239-L265 HydrophobicContact CE1-CB 4.34Å; F239-V266 HydrophobicContact CZ-CG2 3.86Å; F239-T269 HydrophobicContact CD1-CG2 4.18Å; F239-T269 HydrophobicContact CE1-CG2 4.33Å; F239-P419 HydrophobicContact CE2-CB 4.46Å; F239-P419 HydrophobicContact CE2-CG 4.41Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; F239-F420 HydrophobicContact CD2-CE1 4.36Å; F239-F420 AromaticContact CE2-CD1 3.91Å; F239-F420 HydrophobicContact CE2-CD1 3.91Å; F239-F420 AromaticContact CE2-CD2 3.92Å; F239-F420 HydrophobicContact CE2-CD2 3.92Å; F239-F420 AromaticContact CE2-CE1 3.7Å; F239-F420 HydrophobicContact CE2-CE1 3.7Å; F239-F420 AromaticContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CG 4.01Å; F239-F420 AromaticContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CZ-CD2 4.3Å; F239-F420 HydrophobicContact CZ-CE1 4.29Å; F239-F420 AromaticContact CZ-CE2 3.76Å; F239-F420 HydrophobicContact CZ-CE2 3.76Å; F239-F420 AromaticContact CZ-CZ 3.75Å; F239-F420 HydrophobicContact CZ-CZ 3.75Å; F239-F425 HydrophobicContact CB-CD2 3.93Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CD2 4.21Å; F239-F425 HydrophobicContact CD2-CE1 4.26Å; F239-F425 AromaticContact CD2-CE2 3.91Å; F239-F425 HydrophobicContact CD2-CE2 3.91Å; F239-F425 AromaticContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CG-CE2 4.28Å; F239-F452 HydrophobicContact CB-CZ 4.06Å; F239-F452 HydrophobicContact CD1-CE1 4.29Å; F239-F452 HydrophobicContact CD1-CE2 4.49Å; F239-F452 AromaticContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CE1-CZ 4.38Å; F239-F452 HydrophobicContact CG-CZ 4.03Å
240N98Very high97.6Very high29 Ų2929 Ų2916%0.15514%0.144CC..Hα-helixtrans-58.6-43.5172.1-76.4-57.4000110.7R236 I237 V243 K244 T269R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 VanDerWaalsContact O-CG 3.3Å; R236-N240 PolarHBondContact O-N 3.37Å; R236-N240 PolarHBondContact O-ND2 2.71Å; I237-N240 PolarHBondContact O-N 2.73Å; N240-V243 PolarHBondContact O-N 3.02Å; N240-K244 VanDerWaalsContact O-CB 3.24Å; N240-K244 WeakPolarHBondContact O-CB 3.44Å; N240-K244 PolarHBondContact O-N 2.64Å; N240-T269 WeakPolarHBondContact OD1-CG2 3.15Å
241N96.9Very high97.7Very high41 Ų4131.1 Ų31.122%0.21915%0.149CC..Hα-helixtrans-66.6-39.2178.1-71-22.3000112.8V219 I237 L238 F239 V243 K244 K245V219-N241 WeakPolarHBondContact CG1-ND2 3.23Å; V219-N241 WeakPolarHBondContact CG2-ND2 2.81Å; I237-N241 WeakPolarHBondContact O-CB 3.34Å; I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.19Å; L238-N241 PolarHBondContact O-N 3.31Å; F239-N241 VanDerWaalsContact C-N 3.29Å; F239-N241 PolarHBondContact O-N 3.34Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 2.73Å; N241-K244 PolarHBondContact O-N 3.46Å; N241-K245 WeakPolarHBondContact O-CG 3.35Å; N241-K245 PolarHBondContact O-N 3.36Å
242A98.2Very high97.8Very high0 Ų032.8 Ų32.80%016%0.155CC..Hα-helixtrans-58.4-44.2174.400000111.4L238 F239 R246 P419 D422L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.41Å; F239-A242 WeakPolarHBondContact O-CB 3.29Å; F239-A242 PolarHBondContact O-N 2.68Å; A242-R246 VanDerWaalsContact O-CD 3.24Å; A242-R246 WeakPolarHBondContact O-CD 3.42Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.26Å; A242-R246 PolarHBondContact O-NH1 2.73Å; A242-P419 HydrophobicContact CB-CB 4.1Å; A242-D422 HydrophobicContact CB-CB 3.46Å; A242-D422 VanDerWaalsContact CB-CB 3.46Å
243V98.8Very high97.8Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-70.1-45.5175.5175.40000111.3F239 N240 N241 K245 R246 L247 T269 L270 Q273 F362 P419F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.3Å; F239-V243 PolarHBondContact O-N 2.65Å; N240-V243 PolarHBondContact O-N 3.02Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 2.73Å; V243-K245 PolarHBondContact O-N 3Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.32Å; V243-R246 WeakPolarHBondContact O-CB 3.39Å; V243-R246 PolarHBondContact O-N 2.71Å; V243-R246 VanDerWaalsContact O-N 3.13Å; V243-L247 PolarHBondContact O-N 3.13Å; V243-T269 HydrophobicContact CB-CG2 3.93Å; V243-T269 HydrophobicContact CG1-CG2 4.14Å; V243-T269 HydrophobicContact CG2-CG2 3.77Å; V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.13Å; V243-Q273 HydrophobicContact CB-CG 4.46Å; V243-Q273 HydrophobicContact CG1-CB 4.26Å; V243-Q273 HydrophobicContact CG1-CG 4.05Å; V243-F362 HydrophobicContact CG1-CE1 4.19Å; V243-P419 HydrophobicContact CG2-CB 3.82Å; V243-P419 HydrophobicContact CG2-CG 4.02Å
244K98.6Very high98Very high117 Ų11729.6 Ų29.651%0.50914%0.138SC..Hα-helixtrans-60.1-47.7-177.5-172.1175.4-174.7165.80113N240 N241 R246 L247 Q273N240-K244 VanDerWaalsContact O-CB 3.24Å; N240-K244 WeakPolarHBondContact O-CB 3.44Å; N240-K244 PolarHBondContact O-N 2.64Å; N241-K244 PolarHBondContact O-N 3.46Å; K244-R246 PolarHBondContact O-N 2.86Å; K244-L247 VanDerWaalsContact O-CB 3.31Å; K244-L247 WeakPolarHBondContact O-CB 3.19Å; K244-L247 WeakPolarHBondContact O-CG 3.43Å; K244-L247 PolarHBondContact O-N 3.46Å; K244-Q273 HydrophobicContact CB-CG 4.46Å
245K97.9Very high98.1Very high35 Ų3529.6 Ų29.615%0.15214%0.138CC..Hα-helixtrans-64.1-27.2178.976.7177.979.2166.20112Y79 D118 N241 V243 L247 M248 D422Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.29Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; D118-K245 IonicContact OD1-NZ 3.59Å; D118-K245 WeakPolarHBondContact OD2-CD 3.5Å; D118-K245 WeakPolarHBondContact OD2-CE 3.15Å; D118-K245 IonicContact OD2-NZ 2.99Å; D118-K245 PolarHBondContact OD2-NZ 3.29Å; N241-K245 WeakPolarHBondContact O-CG 3.35Å; N241-K245 PolarHBondContact O-N 3.36Å; V243-K245 PolarHBondContact O-N 3Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.27Å; K245-M248 WeakPolarHBondContact O-CB 3.47Å; K245-D422 WeakPolarHBondContact CD-OD2 3.48Å; K245-D422 WeakPolarHBondContact CE-OD2 3.44Å; K245-D422 VanDerWaalsContact NZ-CG 3.29Å; K245-D422 IonicContact NZ-OD1 2.76Å; K245-D422 PolarHBondContact NZ-OD1 2.91Å; K245-D422 VanDerWaalsContact NZ-OD1 3.13Å; K245-D422 IonicContact NZ-OD2 3.54Å; K245-D422 PolarHBondContact NZ-OD2 3.17Å
246R98.8Very high98.2Very high4 Ų430.5 Ų30.52%0.01514%0.143CC..THydrogen-bonded Turntrans-80.95174.8-73.7168.9-179.1663.4113.4Y79 A242 V243 K244 M248 F362 R417 D422Y79-R246 HydrophobicContact CD1-CG 4.13Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.34Å; Y79-R246 HydrophobicContact CE1-CG 3.67Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; A242-R246 VanDerWaalsContact O-CD 3.24Å; A242-R246 WeakPolarHBondContact O-CD 3.42Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.26Å; A242-R246 PolarHBondContact O-NH1 2.73Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.32Å; V243-R246 WeakPolarHBondContact O-CB 3.39Å; V243-R246 PolarHBondContact O-N 2.71Å; V243-R246 VanDerWaalsContact O-N 3.13Å; K244-R246 PolarHBondContact O-N 2.86Å; R246-M248 PolarHBondContact O-N 3.1Å; R246-F362 HydrophobicContact CB-CE1 3.7Å; R246-F362 HydrophobicContact CB-CZ 3.55Å; R246-F362 WeakPolarHBondContact O-CZ 3.49Å; R246-R417 VanDerWaalsContact C-NH1 3.34Å; R246-R417 WeakPolarHBondContact O-CD 3.44Å; R246-R417 PolarHBondContact O-NH1 3.38Å; R246-D422 IonicContact CZ-OD2 3.81Å; R246-D422 IonicContact NH1-OD2 2.74Å; R246-D422 PolarHBondContact NH1-OD2 2.61Å; R246-D422 VanDerWaalsContact NH2-CA 3.29Å; R246-D422 IonicContact NH2-OD2 2.82Å; R246-D422 PolarHBondContact NH2-OD2 2.74Å
247L98.8Very high98.3Very high31 Ų3128.1 Ų28.116%0.16213%0.134CC..THydrogen-bonded Turntrans-77.5-5.9167.4-60.3-170.8000113.1V243 K244 K245 T249 I253 L270 Q273 L274 A277 F362V243-L247 PolarHBondContact O-N 3.13Å; K244-L247 VanDerWaalsContact O-CB 3.31Å; K244-L247 WeakPolarHBondContact O-CB 3.19Å; K244-L247 WeakPolarHBondContact O-CG 3.43Å; K244-L247 PolarHBondContact O-N 3.46Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.27Å; L247-T249 PolarHBondContact O-N 3.12Å; L247-I253 HydrophobicContact CD2-CD1 3.93Å; L247-L270 HydrophobicContact CD2-CD1 3.51Å; L247-Q273 HydrophobicContact CD1-CB 3.95Å; L247-L274 HydrophobicContact CD2-CD2 3.88Å; L247-L274 HydrophobicContact CD2-CG 4.31Å; L247-A277 HydrophobicContact CD1-CB 3.97Å; L247-F362 HydrophobicContact CD2-CZ 4.36Å
248M98.6Very high98.3Very high31 Ų3128 Ų2815%0.15314%0.137CC..  trans-61.895.9-179.7180-17792.800112.2V53 E77 Y79 Y81 D97 K245 R246 R417V53-M248 HydrophobicContact CG2-CE 4.34Å; V53-M248 HydrophobicContact CG2-CG 4.24Å; E77-M248 HydrophobicContact CB-CE 4.05Å; E77-M248 WeakPolarHBondContact OE2-CE 3.31Å; Y79-M248 HydrophobicContact CD1-CE 4.09Å; Y81-M248 HydrophobicContact CD1-CE 4.45Å; Y81-M248 HydrophobicContact CD1-SD 3.51Å; Y81-M248 VanDerWaalsContact CD1-SD 3.51Å; Y81-M248 HydrophobicContact CE1-CE 4.45Å; Y81-M248 HydrophobicContact CE1-CG 4.14Å; Y81-M248 HydrophobicContact CE1-SD 3.33Å; Y81-M248 WeakPolarHBondContact CE1-SD 3.01Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.25Å; K245-M248 WeakPolarHBondContact O-CB 3.47Å; R246-M248 PolarHBondContact O-N 3.1Å; M248-R417 VanDerWaalsContact O-CZ 3.23Å; M248-R417 PolarHBondContact O-NH1 3.1Å; M248-R417 PolarHBondContact O-NH2 3.09Å
249T98.6Very high98.2Very high29 Ų2927.9 Ų27.918%0.17814%0.136CC..  trans-168.9151.6176.7177.30000110.6V52 L247 R251 I253 V360V52-T249 VanDerWaalsContact CG1-OG1 3.27Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.12Å; V52-T249 PolarHBondContact O-OG1 2.82Å; L247-T249 PolarHBondContact O-N 3.12Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 VanDerWaalsContact CG2-O 3.26Å; T249-R251 WeakPolarHBondContact CG2-O 3.19Å; T249-R251 WeakPolarHBondContact OG1-CB 3.2Å; T249-R251 PolarHBondContact OG1-N 2.83Å; T249-R251 PolarHBondContact OG1-O 2.57Å; T249-I253 HydrophobicContact CG2-CD1 3.65Å; T249-I253 HydrophobicContact CG2-CG1 3.55Å; T249-V360 HydrophobicContact CG2-CG2 4.13Å; T249-V360 WeakPolarHBondContact OG1-CG2 3.14Å
250D98.3Very high98Very high104 Ų10429 Ų2956%0.55615%0.147SC*.SBendtrans-95.18.4168-62-49.4000111.7V52 D54V52-D250 PolarHBondContact O-N 3.05Å; D54-D250 PolarHBondContact N-OD2 2.85Å
251R98.4Very high98Very high75 Ų7528 Ų2828%0.28314%0.142SC..SBendtrans-119.3160.2-176-54.2-61.9-66.8-84.86.5111.5D30 A51 T249 I253 V359D30-R251 IonicContact OD2-NH1 3.66Å; D30-R251 PolarHBondContact OD2-NH1 2.98Å; A51-R251 VanDerWaalsContact O-CD 3.32Å; A51-R251 WeakPolarHBondContact O-CD 3.36Å; A51-R251 WeakPolarHBondContact O-CG 3.32Å; A51-R251 PolarHBondContact O-NH1 3.03Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 VanDerWaalsContact CG2-O 3.26Å; T249-R251 WeakPolarHBondContact CG2-O 3.19Å; T249-R251 WeakPolarHBondContact OG1-CB 3.2Å; T249-R251 PolarHBondContact OG1-N 2.83Å; T249-R251 PolarHBondContact OG1-O 2.57Å; R251-I253 PolarHBondContact O-N 3.17Å; R251-V359 HydrophobicContact CB-CB 4.04Å; R251-V359 HydrophobicContact CB-CG1 4.47Å
252R98.8Very high98.1Very high34 Ų3426.7 Ų26.713%0.12814%0.135CC..EExtended strand (participates in β ladder)trans-66.1133.3-180-165180-175.5175.9-1.1111.3Y281 P282 Q284 E309 D357 V359 V360R252-Y281 HydrophobicContact CB-CE1 4.49Å; R252-Y281 HydrophobicContact CG-CD1 4.15Å; R252-Y281 HydrophobicContact CG-CD2 3.75Å; R252-Y281 HydrophobicContact CG-CE1 4.06Å; R252-Y281 HydrophobicContact CG-CE2 3.67Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; R252-P282 PolarHBondContact NH2-O 3.45Å; R252-Q284 VanDerWaalsContact CZ-CD 3.48Å; R252-Q284 VanDerWaalsContact NH2-CD 3.26Å; R252-E309 IonicContact NH2-OE2 2.82Å; R252-D357 VanDerWaalsContact CD-CG 3.46Å; R252-D357 WeakPolarHBondContact CD-OD1 3.13Å; R252-D357 WeakPolarHBondContact CD-OD2 2.99Å; R252-D357 IonicContact CZ-OD1 3.41Å; R252-D357 IonicContact NE-OD1 3.67Å; R252-D357 IonicContact NH1-OD1 2.71Å; R252-D357 PolarHBondContact NH1-OD1 2.72Å; R252-D357 IonicContact NH1-OD2 3.86Å; R252-V359 PolarHBondContact O-N 3.19Å; R252-V360 PolarHBondContact O-N 3.01Å; R252-V360 VanDerWaalsContact O-N 3.16Å
253I98.9Very high98.1Very high3 Ų327.1 Ų27.12%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-96.1129.5176.3-59.9167000110.3L247 T249 R251 L270 L274 Y281 N358 V360 F362L247-I253 HydrophobicContact CD2-CD1 3.93Å; T249-I253 HydrophobicContact CG2-CD1 3.65Å; T249-I253 HydrophobicContact CG2-CG1 3.55Å; R251-I253 PolarHBondContact O-N 3.17Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 3.93Å; I253-L274 HydrophobicContact CD1-CD2 4Å; I253-Y281 WeakPolarHBondContact CB-OH 3.48Å; I253-Y281 PolarHBondContact N-OH 3.14Å; I253-N358 PolarHBondContact O-OD1 2.71Å; I253-V360 CarbonylContact C-O 3.59Å; I253-V360 VanDerWaalsContact CA-O 3.31Å; I253-V360 WeakPolarHBondContact CA-O 3.45Å; I253-V360 HydrophobicContact CG1-CB 4.1Å; I253-V360 HydrophobicContact CG1-CG1 4.17Å; I253-F362 HydrophobicContact CD1-CE2 4.42Å; I253-F362 HydrophobicContact CG2-CD2 3.49Å; I253-F362 VanDerWaalsContact CG2-CD2 3.49Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å
254G98.9Very high98.1Very high0 Ų027.1 Ų27.10%014%0.138CC..EExtended strand (participates in β ladder)trans-122.3178.2167.400000111.9Q284 N358 V360 I361 F362G254-Q284 WeakPolarHBondContact CA-O 3.38Å; G254-N358 WeakPolarHBondContact CA-OD1 3.44Å; G254-N358 PolarHBondContact N-OD1 2.61Å; G254-V360 PolarHBondContact N-O 2.98Å; G254-I361 WeakPolarHBondContact O-CA 3.14Å; G254-F362 PolarHBondContact O-N 3.44Å
255C98.9Very high98.1Very high0 Ų021.6 Ų21.60%011%0.114CC..EExtended strand (participates in β ladder)trans-143.2137.2180-166.80000111.9A267 L270 L283 Q284 T285 F286 F362C255-A267 HydrophobicContact CB-CB 4.48Å; C255-L270 HydrophobicContact CB-CD2 3.86Å; C255-L283 HydrophobicContact CB-CD1 4.35Å; C255-Q284 PolarHBondContact N-O 2.64Å; C255-Q284 VanDerWaalsContact N-O 3.07Å; C255-T285 HydrophobicContact CB-CG2 4.31Å; C255-T285 CarbonylContact O-C 3.56Å; C255-T285 VanDerWaalsContact O-CA 3.28Å; C255-T285 WeakPolarHBondContact O-CA 3.35Å; C255-F286 PolarHBondContact O-N 3.45Å; C255-F362 HydrophobicContact CB-CB 4.25Å
256L98.9Very high98.2Very high21 Ų2119.9 Ų19.911%0.1111%0.106CC..EExtended strand (participates in β ladder)trans-72.4134.3164.1-58.1-176.8000108.9F286 M345 I348 I352 I361 F362L256-F286 HydrophobicContact CD2-CB 4.17Å; L256-M345 HydrophobicContact CD1-CE 3.61Å; L256-M345 HydrophobicContact CD1-CG 4.47Å; L256-I348 HydrophobicContact CD2-CG1 4.31Å; L256-I348 HydrophobicContact CD2-CG2 4.22Å; L256-I352 HydrophobicContact CD2-CD1 3.87Å; L256-I361 HydrophobicContact CD1-CG2 4.38Å; L256-I361 HydrophobicContact CD2-CG2 3.86Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; L256-F362 PolarHBondContact N-O 2.66Å
257L98.6Very high98.2Very high1 Ų119.7 Ų19.71%0.00511%0.106CC..  trans-136.1101.1-178.117960.6000109.3A267 T285 F286 A287 A299 V302 A303L257-A267 HydrophobicContact CD1-CB 4.01Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.14Å; L257-F286 PolarHBondContact N-O 3.47Å; L257-A287 WeakPolarHBondContact O-CB 3.44Å; L257-A299 HydrophobicContact CG-CB 4.15Å; L257-A299 WeakPolarHBondContact O-CB 3.2Å; L257-V302 HydrophobicContact CD1-CB 4.12Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.18Å; L257-A303 HydrophobicContact CD2-CB 3.98Å
258S96.3Very high98.2Very high31 Ų3118.4 Ų18.422%0.21710%0.099CC..  trans-89.3-10.3177.5620000113.5G260 S263 D295S258-G260 PolarHBondContact O-N 3.45Å; S258-G260 PolarHBondContact OG-N 3.41Å; S258-S263 PolarHBondContact N-OG 3.27Å; S258-S263 VanDerWaalsContact N-OG 3.1Å; S258-S263 PolarHBondContact OG-OG 3.1Å; S258-D295 CarbonylContact O-C 3.58Å; S258-D295 WeakPolarHBondContact O-CA 3.48Å; S258-D295 VanDerWaalsContact O-CB 3.29Å; S258-D295 WeakPolarHBondContact O-CB 3.32Å
259G94.3Very high98.2Very high0 Ų016.9 Ų16.90%09%0.092CC..SBendtrans76.7-1.1-170.600000114.4I462G259-I462 WeakPolarHBondContact O-CG2 3.42Å
260G95.5Very high98.2Very high22 Ų2215.5 Ų15.523%0.2278%0.083CC..SBendtrans-70.9162164.400000111.6S258 D262 S263 S264S258-G260 PolarHBondContact O-N 3.45Å; S258-G260 PolarHBondContact OG-N 3.41Å; G260-D262 VanDerWaalsContact C-N 3.33Å; G260-D262 PolarHBondContact O-N 3.22Å; G260-S263 PolarHBondContact O-OG 3.33Å; G260-S264 VanDerWaalsContact O-CB 3.24Å; G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.95Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.15Å
261L97.9Very high98.2Very high8 Ų811.4 Ų11.44%0.0426%0.061CC..Hα-helixtrans-49.4-51.2-176.2176.965.4000112.6S264 L265 K445 L448 R449 I458 L463L261-S264 PolarHBondContact O-N 2.8Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.09Å; L261-L265 HydrophobicContact CG-CD1 4.01Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.19Å; L261-K445 HydrophobicContact CD2-CB 4.09Å; L261-K445 HydrophobicContact CD2-CD 3.88Å; L261-L448 HydrophobicContact CD2-CD2 4.04Å; L261-R449 HydrophobicContact CD1-CG 4.26Å; L261-R449 HydrophobicContact CD2-CG 3.63Å; L261-I458 HydrophobicContact CD1-CD1 4.12Å; L261-L463 HydrophobicContact CD1-CD1 3.86Å
262D98.3Very high98.2Very high15 Ų1512 Ų128%0.087%0.066CC..Hα-helixtrans-70.6-50.5-166.2-39.9-46.4000111.9G260 S264 L265 V266 S367 F420 K445G260-D262 VanDerWaalsContact C-N 3.33Å; G260-D262 PolarHBondContact O-N 3.22Å; D262-S264 PolarHBondContact O-N 3.25Å; D262-L265 PolarHBondContact O-N 3.44Å; D262-V266 WeakPolarHBondContact O-CG2 3.25Å; D262-V266 PolarHBondContact O-N 3.31Å; D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 2.86Å; D262-F420 HydrophobicContact CB-CE2 3.86Å; D262-F420 HydrophobicContact CB-CZ 4.21Å; D262-K445 IonicContact OD1-NZ 3.22Å; D262-K445 PolarHBondContact OD1-NZ 2.78Å; D262-K445 IonicContact OD2-NZ 3.13Å; D262-K445 PolarHBondContact OD2-NZ 3.18Å
263S98.3Very high98.2Very high9 Ų910.7 Ų10.76%0.0636%0.061CC..Hα-helixtrans-63.6-32177.363.60000111.5S258 G260 V266 A267S258-S263 PolarHBondContact N-OG 3.27Å; S258-S263 VanDerWaalsContact N-OG 3.1Å; S258-S263 PolarHBondContact OG-OG 3.1Å; G260-S263 PolarHBondContact O-OG 3.33Å; S263-V266 PolarHBondContact O-N 2.99Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.03Å
264S98.8Very high98.2Very high0 Ų010.8 Ų10.80%06%0.062CC..Hα-helixtrans-68.2-45175.5-54.80000112.1G260 L261 D262 V266 A267 A268 V302G260-S264 VanDerWaalsContact O-CB 3.24Å; G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.95Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.15Å; L261-S264 PolarHBondContact O-N 2.8Å; D262-S264 PolarHBondContact O-N 3.25Å; S264-V266 VanDerWaalsContact C-N 3.34Å; S264-A267 PolarHBondContact O-N 3.32Å; S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 2.94Å; S264-A268 PolarHBondContact O-N 3.47Å; S264-V302 WeakPolarHBondContact OG-CG2 3.4Å
265L98.8Very high98.2Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-62.6-40.9174.6-71.7176.7000111.6F239 L261 D262 T269 L448 F452 L457 I458F239-L265 HydrophobicContact CE1-CB 4.34Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.09Å; L261-L265 HydrophobicContact CG-CD1 4.01Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.19Å; D262-L265 PolarHBondContact O-N 3.44Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.49Å; L265-T269 PolarHBondContact O-OG1 3.23Å; L265-L448 HydrophobicContact CD1-CD1 4.26Å; L265-L448 HydrophobicContact CD1-CD2 4.01Å; L265-L448 HydrophobicContact CD1-CG 3.89Å; L265-F452 HydrophobicContact CD1-CD2 3.68Å; L265-F452 HydrophobicContact CD1-CE2 3.95Å; L265-F452 HydrophobicContact CD1-CG 4.5Å; L265-F452 HydrophobicContact CD2-CB 3.74Å; L265-F452 HydrophobicContact CD2-CD1 4.22Å; L265-F452 HydrophobicContact CD2-CD2 3.64Å; L265-F452 HydrophobicContact CD2-CE2 4.3Å; L265-F452 HydrophobicContact CD2-CG 3.6Å; L265-F452 HydrophobicContact CG-CD2 4.29Å; L265-L457 HydrophobicContact CD2-CD2 4.2Å; L265-I458 HydrophobicContact CD2-CD1 3.94Å; L265-I458 HydrophobicContact CD2-CG1 4.45Å; L265-I458 HydrophobicContact CG-CD1 4.28Å
266V98.9Very high98.2Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-62.5-54.4175.1173.20000110.9F239 D262 S263 S264 A268 T269 L270 F362 P419 F420F239-V266 HydrophobicContact CZ-CG2 3.86Å; D262-V266 WeakPolarHBondContact O-CG2 3.25Å; D262-V266 PolarHBondContact O-N 3.31Å; S263-V266 PolarHBondContact O-N 2.99Å; S264-V266 VanDerWaalsContact C-N 3.34Å; V266-A268 VanDerWaalsContact C-N 3.33Å; V266-A268 PolarHBondContact O-N 2.86Å; V266-T269 PolarHBondContact O-N 3.5Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.11Å; V266-F362 HydrophobicContact CG1-CG 4.48Å; V266-P419 HydrophobicContact CG1-CG 4.11Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; V266-F420 HydrophobicContact CG2-CD2 4.05Å; V266-F420 HydrophobicContact CG2-CE2 3.7Å
267A98.9Very high98.1Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-60.2-43.1-176.500000112.2C255 L257 S263 S264 L270 L271 T285 I306C255-A267 HydrophobicContact CB-CB 4.48Å; L257-A267 HydrophobicContact CD1-CB 4.01Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.03Å; S264-A267 PolarHBondContact O-N 3.32Å; A267-L270 PolarHBondContact O-N 3.43Å; A267-L271 PolarHBondContact O-N 3.34Å; A267-T285 HydrophobicContact CB-CG2 4.45Å; A267-I306 HydrophobicContact CB-CD1 4.05Å
268A98.9Very high98.1Very high3 Ų331.2 Ų31.23%0.02516%0.164CC..Hα-helixtrans-69.8-43.8-179.900000112.3S264 V266 L270 L271 K272 I306 L457 I458S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 2.94Å; S264-A268 PolarHBondContact O-N 3.47Å; V266-A268 VanDerWaalsContact C-N 3.33Å; V266-A268 PolarHBondContact O-N 2.86Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 3.46Å; A268-L271 PolarHBondContact O-N 2.86Å; A268-K272 PolarHBondContact O-N 3.45Å; A268-K272 VanDerWaalsContact O-N 3.09Å; A268-I306 HydrophobicContact CB-CG2 3.71Å; A268-L457 HydrophobicContact CB-CD1 3.6Å; A268-L457 HydrophobicContact CB-CD2 4.18Å; A268-L457 HydrophobicContact CB-CG 3.46Å; A268-L457 VanDerWaalsContact CB-CG 3.46Å; A268-L457 WeakPolarHBondContact CB-O 3.46Å; A268-I458 HydrophobicContact CB-CG2 3.71Å
269T98.9Very high98.2Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-63.6-41.6175-56.20000110.8F239 N240 V243 L265 V266 K272 Q273 L457F239-T269 HydrophobicContact CD1-CG2 4.18Å; F239-T269 HydrophobicContact CE1-CG2 4.33Å; N240-T269 WeakPolarHBondContact OD1-CG2 3.15Å; V243-T269 HydrophobicContact CB-CG2 3.93Å; V243-T269 HydrophobicContact CG1-CG2 4.14Å; V243-T269 HydrophobicContact CG2-CG2 3.77Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.49Å; L265-T269 PolarHBondContact O-OG1 3.23Å; V266-T269 PolarHBondContact O-N 3.5Å; T269-K272 WeakPolarHBondContact O-CB 3.38Å; T269-K272 PolarHBondContact O-N 3.22Å; T269-Q273 HydrophobicContact CG2-CG 4.31Å; T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.11Å; T269-Q273 PolarHBondContact O-N 3.22Å; T269-L457 WeakPolarHBondContact OG1-CD2 3.44Å
270L98.9Very high98.4Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-59.6-49.4177.1175.861.5000111.3V243 L247 I253 C255 V266 A267 A268 K272 Q273 L274 L283 F362V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.13Å; L247-L270 HydrophobicContact CD2-CD1 3.51Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 3.93Å; C255-L270 HydrophobicContact CB-CD2 3.86Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3Å; A267-L270 PolarHBondContact O-N 3.43Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 3.46Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.49Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CD2 4.49Å; L270-L274 HydrophobicContact CD1-CG 4.01Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.33Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.5Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.21Å; L270-L283 HydrophobicContact CG-CD1 4.25Å; L270-L283 HydrophobicContact CG-CD2 4.28Å; L270-F362 HydrophobicContact CD1-CD1 4.31Å; L270-F362 HydrophobicContact CD1-CD2 4.25Å; L270-F362 HydrophobicContact CD1-CE1 4.02Å; L270-F362 HydrophobicContact CD1-CE2 3.98Å; L270-F362 HydrophobicContact CD1-CG 4.39Å; L270-F362 HydrophobicContact CD1-CZ 3.82Å; L270-F362 HydrophobicContact CD2-CB 3.92Å; L270-F362 HydrophobicContact CD2-CD1 4.27Å; L270-F362 HydrophobicContact CD2-CD2 3.89Å; L270-F362 HydrophobicContact CD2-CE2 4.44Å; L270-F362 HydrophobicContact CD2-CG 3.78Å
271L98.8Very high98.5Very high17 Ų1742.5 Ų42.59%0.08921%0.208CC..Hα-helixtrans-61-40.8178.3-174.662.9000112.1A267 A268 L274 K275 L283 I306A267-L271 PolarHBondContact O-N 3.34Å; A268-L271 PolarHBondContact O-N 2.86Å; L271-L274 PolarHBondContact O-N 3.4Å; L271-K275 HydrophobicContact CG-CD 4.39Å; L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.93Å; L271-L283 HydrophobicContact CB-CD2 3.81Å; L271-L283 HydrophobicContact CD1-CB 3.73Å; L271-L283 HydrophobicContact CD1-CD2 4.2Å; L271-I306 HydrophobicContact CD2-CB 3.86Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.44Å
272K98.6Very high98.5Very high88 Ų8845.3 Ų45.338%0.38323%0.227SC..Hα-helixtrans-57.8-50173.5175.5-173.5169.3-170.60110.9A268 T269 L270 L274 K275 E276A268-K272 PolarHBondContact O-N 3.45Å; A268-K272 VanDerWaalsContact O-N 3.09Å; T269-K272 WeakPolarHBondContact O-CB 3.38Å; T269-K272 PolarHBondContact O-N 3.22Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.49Å; K272-L274 PolarHBondContact O-N 2.81Å; K272-K275 PolarHBondContact O-N 3.43Å; K272-E276 WeakPolarHBondContact CE-OE1 3.37Å; K272-E276 WeakPolarHBondContact O-CG 3.18Å; K272-E276 PolarHBondContact O-N 2.95Å
273Q98.7Very high98.6Very high6 Ų644.7 Ų44.73%0.02822%0.224CC..Hα-helixtrans-67.3-35.5-178.7-67.1-58.1-5700112.6V243 K244 L247 T269 L270 E276 A277V243-Q273 HydrophobicContact CB-CG 4.46Å; V243-Q273 HydrophobicContact CG1-CB 4.26Å; V243-Q273 HydrophobicContact CG1-CG 4.05Å; K244-Q273 HydrophobicContact CB-CG 4.46Å; L247-Q273 HydrophobicContact CD1-CB 3.95Å; T269-Q273 HydrophobicContact CG2-CG 4.31Å; T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.11Å; T269-Q273 PolarHBondContact O-N 3.22Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; Q273-E276 PolarHBondContact NE2-OE2 3.01Å; Q273-E276 PolarHBondContact O-N 2.98Å; Q273-E276 PolarHBondContact OE1-OE2 2.92Å; Q273-A277 VanDerWaalsContact O-CB 3.29Å; Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.25Å
274L98.8Very high98.6Very high6 Ų644.6 Ų44.63%0.03122%0.222CC..Hα-helixtrans-63.6-41.8173.3-72.4172.1000111.9L247 I253 L270 L271 K272 A277 Q278 V279 L283L247-L274 HydrophobicContact CD2-CD2 3.88Å; L247-L274 HydrophobicContact CD2-CG 4.31Å; I253-L274 HydrophobicContact CD1-CD2 4Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CD2 4.49Å; L270-L274 HydrophobicContact CD1-CG 4.01Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.33Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.5Å; L271-L274 PolarHBondContact O-N 3.4Å; K272-L274 PolarHBondContact O-N 2.81Å; L274-A277 CarbonylContact O-C 3.53Å; L274-A277 PolarHBondContact O-N 3.46Å; L274-Q278 PolarHBondContact O-N 2.99Å; L274-Q278 VanDerWaalsContact O-N 3.11Å; L274-V279 HydrophobicContact CB-CB 4.28Å; L274-V279 HydrophobicContact CD2-CB 4.04Å; L274-V279 HydrophobicContact CD2-CG1 4.16Å; L274-V279 HydrophobicContact CD2-CG2 3.76Å; L274-V279 PolarHBondContact O-N 3.38Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD1 3.89Å; L274-L283 HydrophobicContact CD1-CD2 4.48Å; L274-L283 HydrophobicContact CD1-CG 4.36Å
275K98.4Very high98.6Very high138 Ų13844.6 Ų44.660%0.622%0.222SC*.Hα-helixtrans-63.8-45.3174.5-73.4174179.8174.90111.5L271 K272 A277 Q278L271-K275 HydrophobicContact CG-CD 4.39Å; L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.93Å; K272-K275 PolarHBondContact O-N 3.43Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.34Å; K275-Q278 PolarHBondContact O-N 3.07Å
276E98.3Very high98.6Very high104 Ų10444.7 Ų44.749%0.48622%0.223SC..Hα-helixtrans-61.1-36.2175.3-73.8174.6-167.300112.2K272 Q273 Q278K272-E276 WeakPolarHBondContact CE-OE1 3.37Å; K272-E276 WeakPolarHBondContact O-CG 3.18Å; K272-E276 PolarHBondContact O-N 2.95Å; Q273-E276 PolarHBondContact NE2-OE2 3.01Å; Q273-E276 PolarHBondContact O-N 2.98Å; Q273-E276 PolarHBondContact OE1-OE2 2.92Å; E276-Q278 PolarHBondContact O-N 3.01Å
277A98.3Very high98.6Very high56 Ų5644.9 Ų44.946%0.46322%0.224SC..THydrogen-bonded Turntrans-80.42.7174.800000114.1L247 Q273 L274 K275 V279L247-A277 HydrophobicContact CD1-CB 3.97Å; Q273-A277 VanDerWaalsContact O-CB 3.29Å; Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.25Å; L274-A277 CarbonylContact O-C 3.53Å; L274-A277 PolarHBondContact O-N 3.46Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.34Å; A277-V279 HydrophobicContact CB-CG2 4.19Å; A277-V279 PolarHBondContact O-N 2.86Å
278Q98.4Very high98.5Very high152 Ų15245.2 Ų45.271%0.7123%0.226SC*.THydrogen-bonded Turntrans56.533.1179.3-53.8176.424.500113.8L274 K275 E276 Q280L274-Q278 PolarHBondContact O-N 2.99Å; L274-Q278 VanDerWaalsContact O-N 3.11Å; K275-Q278 PolarHBondContact O-N 3.07Å; E276-Q278 PolarHBondContact O-N 3.01Å; Q278-Q280 PolarHBondContact O-N 3.18Å; Q278-Q280 PolarHBondContact O-NE2 2.67Å
279V98.4Very high98.3Very high51 Ų5145.1 Ų45.131%0.30923%0.225SC..  trans-67.9130.4173.7176.30000109.5L274 A277 Y281L274-V279 HydrophobicContact CB-CB 4.28Å; L274-V279 HydrophobicContact CD2-CB 4.04Å; L274-V279 HydrophobicContact CD2-CG1 4.16Å; L274-V279 HydrophobicContact CD2-CG2 3.76Å; L274-V279 PolarHBondContact O-N 3.38Å; A277-V279 HydrophobicContact CB-CG2 4.19Å; A277-V279 PolarHBondContact O-N 2.86Å; V279-Y281 HydrophobicContact CG1-CD1 3.66Å; V279-Y281 HydrophobicContact CG1-CD2 4.02Å; V279-Y281 HydrophobicContact CG1-CE1 3.35Å; V279-Y281 HydrophobicContact CG1-CE2 3.73Å; V279-Y281 HydrophobicContact CG1-CG 3.98Å
280Q97.9Very high98Very high170 Ų17045.7 Ų45.779%0.79423%0.228SC*.  trans-89.9-26.4-168.1-60.9-61.1-46.300114.2Q278Q278-Q280 PolarHBondContact O-N 3.18Å; Q278-Q280 PolarHBondContact O-NE2 2.67Å
281Y98.3Very high97.4Very high69 Ų6951.8 Ų51.827%0.27126%0.257SS..SBendtrans-77.414717860.1-106.8000110.7R252 I253 V279R252-Y281 HydrophobicContact CB-CE1 4.49Å; R252-Y281 HydrophobicContact CG-CD1 4.15Å; R252-Y281 HydrophobicContact CG-CD2 3.75Å; R252-Y281 HydrophobicContact CG-CE1 4.06Å; R252-Y281 HydrophobicContact CG-CE2 3.67Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; I253-Y281 WeakPolarHBondContact CB-OH 3.48Å; I253-Y281 PolarHBondContact N-OH 3.14Å; V279-Y281 HydrophobicContact CG1-CD1 3.66Å; V279-Y281 HydrophobicContact CG1-CD2 4.02Å; V279-Y281 HydrophobicContact CG1-CE1 3.35Å; V279-Y281 HydrophobicContact CG1-CE2 3.73Å; V279-Y281 HydrophobicContact CG1-CG 3.98Å
282P97.9Very high96.8Very high67 Ų6754.9 Ų54.944%0.43527%0.273SS..PPolyproline II helixtrans-66.9139.7172.527.7-33.8000110.5R252 Q284 E309R252-P282 PolarHBondContact NH2-O 3.45Å; P282-Q284 PolarHBondContact O-N 3.39Å; P282-E309 HydrophobicContact CB-CB 4.25Å; P282-E309 WeakPolarHBondContact CG-OE2 3.15Å
283L98.8Very high96.3Very high2 Ų250.7 Ų50.71%0.0126%0.255CS..PPolyproline II helixtrans-65.5117.5170.3175.863.2000108.7C255 L270 L271 L274 T285 S308 E309C255-L283 HydrophobicContact CB-CD1 4.35Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.21Å; L270-L283 HydrophobicContact CG-CD1 4.25Å; L270-L283 HydrophobicContact CG-CD2 4.28Å; L271-L283 HydrophobicContact CB-CD2 3.81Å; L271-L283 HydrophobicContact CD1-CB 3.73Å; L271-L283 HydrophobicContact CD1-CD2 4.2Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD1 3.89Å; L274-L283 HydrophobicContact CD1-CD2 4.48Å; L274-L283 HydrophobicContact CD1-CG 4.36Å; L283-T285 HydrophobicContact CD2-CG2 4.21Å; L283-T285 HydrophobicContact CG-CG2 4.18Å; L283-S308 WeakPolarHBondContact O-CB 3.19Å; L283-E309 PolarHBondContact O-N 3.01Å
284Q98.9Very high95.8Very high7 Ų752.3 Ų52.33%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-87.8128.3171.7-68-179.4-23.400109.7R252 G254 C255 P282 F286 E309 Y311 N358R252-Q284 VanDerWaalsContact CZ-CD 3.48Å; R252-Q284 VanDerWaalsContact NH2-CD 3.26Å; G254-Q284 WeakPolarHBondContact CA-O 3.38Å; C255-Q284 PolarHBondContact N-O 2.64Å; C255-Q284 VanDerWaalsContact N-O 3.07Å; P282-Q284 PolarHBondContact O-N 3.39Å; Q284-F286 HydrophobicContact CB-CE2 3.87Å; Q284-F286 HydrophobicContact CB-CZ 3.66Å; Q284-E309 CarbonylContact C-O 3.6Å; Q284-E309 VanDerWaalsContact CA-O 3.24Å; Q284-E309 WeakPolarHBondContact CA-O 3.43Å; Q284-E309 HydrophobicContact CG-CB 4.02Å; Q284-E309 HydrophobicContact CG-CG 4.13Å; Q284-E309 PolarHBondContact NE2-OE1 3.45Å; Q284-Y311 HydrophobicContact CB-CD2 4.36Å; Q284-Y311 HydrophobicContact CB-CE2 4.03Å; Q284-Y311 HydrophobicContact CG-CE2 3.79Å; Q284-Y311 PolarHBondContact NE2-OH 3.4Å; Q284-Y311 VanDerWaalsContact NE2-OH 3.12Å; Q284-N358 PolarHBondContact OE1-ND2 3.03Å
285T98.9Very high95.4Very high0 Ų052.3 Ų52.30%027%0.266CS..EExtended strand (participates in β ladder)trans-115143.2177.854.20000110.7C255 L257 A267 L283 S308 E309 H310 Y311C255-T285 HydrophobicContact CB-CG2 4.31Å; C255-T285 CarbonylContact O-C 3.56Å; C255-T285 VanDerWaalsContact O-CA 3.28Å; C255-T285 WeakPolarHBondContact O-CA 3.35Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.14Å; A267-T285 HydrophobicContact CB-CG2 4.45Å; L283-T285 HydrophobicContact CD2-CG2 4.21Å; L283-T285 HydrophobicContact CG-CG2 4.18Å; T285-S308 PolarHBondContact OG1-OG 3.12Å; T285-E309 PolarHBondContact N-O 3.28Å; T285-H310 PolarHBondContact O-ND1 3.47Å; T285-H310 PolarHBondContact OG1-ND1 3.46Å; T285-Y311 PolarHBondContact O-N 3.46Å
286F98.9Very high95.3Very high2 Ų246 Ų461%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-127.3122.1-170.6-58-81.6000111.1C255 L256 L257 Q284 Y311 I348 I352 T356 N358C255-F286 PolarHBondContact O-N 3.45Å; L256-F286 HydrophobicContact CD2-CB 4.17Å; L257-F286 PolarHBondContact N-O 3.47Å; Q284-F286 HydrophobicContact CB-CE2 3.87Å; Q284-F286 HydrophobicContact CB-CZ 3.66Å; F286-Y311 HydrophobicContact CD1-CD2 4.07Å; F286-Y311 HydrophobicContact CD1-CG 4.1Å; F286-Y311 AromaticContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CE2 4.17Å; F286-Y311 AromaticContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CZ-CD2 4.14Å; F286-Y311 HydrophobicContact CZ-CE2 4.49Å; F286-I348 HydrophobicContact CB-CD1 3.96Å; F286-I348 HydrophobicContact CB-CG1 3.95Å; F286-I352 HydrophobicContact CB-CD1 4.04Å; F286-I352 HydrophobicContact CB-CG1 4.28Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.57Å; F286-I352 HydrophobicContact CD2-CD1 3.76Å; F286-I352 HydrophobicContact CD2-CG1 3.83Å; F286-I352 HydrophobicContact CE1-CG1 3.81Å; F286-I352 HydrophobicContact CE2-CD1 4.31Å; F286-I352 HydrophobicContact CE2-CG1 4.04Å; F286-I352 HydrophobicContact CE2-CG2 4.48Å; F286-I352 HydrophobicContact CG-CD1 3.73Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 4.04Å; F286-I352 HydrophobicContact CZ-CG2 4.44Å; F286-T356 HydrophobicContact CE1-CG2 3.79Å; F286-T356 HydrophobicContact CZ-CG2 3.83Å; F286-N358 VanDerWaalsContact CZ-ND2 3.35Å; F286-N358 WeakPolarHBondContact CZ-ND2 3.07Å
287A98.4Very high95.1Very high4 Ų445 Ų453%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-116.6148.617100000109.6L257 L296 A299 Y311 V313L257-A287 WeakPolarHBondContact O-CB 3.44Å; A287-L296 HydrophobicContact CB-CD2 3.7Å; A287-A299 HydrophobicContact CB-CB 3.59Å; A287-Y311 PolarHBondContact N-O 3.46Å; A287-V313 PolarHBondContact O-N 3.45Å
288I97.6Very high95Very high8 Ų842.4 Ų42.44%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-132.4142173.5-171.7162.3000110.5V313 F315 G344 L347 I348 F470 I474I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.34Å; I288-V313 HydrophobicContact CB-CB 4.36Å; I288-V313 HydrophobicContact CD1-CB 4.47Å; I288-V313 HydrophobicContact CD1-CG1 4.09Å; I288-V313 HydrophobicContact CG1-CB 4.23Å; I288-V313 HydrophobicContact CG1-CG1 4.29Å; I288-V313 WeakPolarHBondContact CG1-O 3.38Å; I288-F315 HydrophobicContact CD1-CB 4.35Å; I288-F315 HydrophobicContact CD1-CD1 4.27Å; I288-F315 HydrophobicContact CG1-CD1 3.88Å; I288-G344 WeakPolarHBondContact CD1-O 3.44Å; I288-L347 HydrophobicContact CD1-CB 3.69Å; I288-I348 HydrophobicContact CB-CB 3.97Å; I288-I348 HydrophobicContact CB-CD1 4.14Å; I288-I348 HydrophobicContact CB-CG1 4.22Å; I288-I348 HydrophobicContact CD1-CB 3.98Å; I288-I348 HydrophobicContact CG2-CB 3.96Å; I288-I348 HydrophobicContact CG2-CG1 4.44Å; I288-I348 HydrophobicContact CG2-CG2 4.27Å; I288-F470 HydrophobicContact CG2-CE2 4.48Å; I288-F470 HydrophobicContact CG2-CZ 3.87Å; I288-I474 VanDerWaalsContact O-CG2 3.23Å; I288-I474 WeakPolarHBondContact O-CG2 3.47Å
289G94.9Very high95Very high0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-171.8169177.600000112.3V313 L314 F315 I474G289-V313 PolarHBondContact N-O 3.46Å; G289-V313 VanDerWaalsContact N-O 3.07Å; G289-L314 WeakPolarHBondContact O-CA 3.32Å; G289-F315 PolarHBondContact O-N 3.09Å; G289-F315 VanDerWaalsContact O-N 3.17Å; G289-I474 CarbonylContact C-O 3.48Å; G289-I474 WeakPolarHBondContact CA-O 3.19Å
290M91.9Very high95Very high13 Ų1337.7 Ų37.76%0.06419%0.185CC..SBendtrans-72.6164.9161.6-65.9178.9168.200109.9D292 S293 L296 F315 I474 W481 I484M290-D292 PolarHBondContact O-N 3.39Å; M290-S293 WeakPolarHBondContact O-CB 3.46Å; M290-S293 PolarHBondContact O-N 2.98Å; M290-S293 VanDerWaalsContact O-N 3.13Å; M290-L296 WeakPolarHBondContact O-CD1 3.28Å; M290-F315 HydrophobicContact CE-CE2 3.81Å; M290-F315 HydrophobicContact CE-CZ 3.87Å; M290-F315 HydrophobicContact CG-CD1 4.45Å; M290-F315 HydrophobicContact CG-CE1 3.9Å; M290-F315 HydrophobicContact CG-CE2 4.39Å; M290-F315 HydrophobicContact CG-CZ 3.87Å; M290-I474 PolarHBondContact N-O 3.4Å; M290-W481 HydrophobicContact CE-CB 4.15Å; M290-W481 HydrophobicContact CE-CD2 4.41Å; M290-W481 HydrophobicContact CE-CE3 3.71Å; M290-I484 HydrophobicContact CE-CD1 3.63Å; M290-I484 HydrophobicContact SD-CD1 4.07Å
291E85.7Confident95Very high128 Ų12834.5 Ų34.560%0.59817%0.169SC*.THydrogen-bonded Turntrans-52.7135.9175.5-167.4-179.7-166.200111.5S293 S476E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.15Å; E291-S476 WeakPolarHBondContact O-CB 3.48Å; E291-S476 PolarHBondContact O-OG 3.23Å
292D85.9Confident95Very high82 Ų8231.2 Ų31.244%0.43916%0.156SC..THydrogen-bonded Turntrans62.919.7-177.7-53.4-42.7000115.7M290 K478M290-D292 PolarHBondContact O-N 3.39Å; D292-K478 IonicContact OD2-NZ 3.73Å
293S89.6Confident95Very high0 Ų028 Ų280%014%0.135CC..  trans-64.5143.8179.892.70000112.7M290 E291 D295 L296 L297 G473 T475M290-S293 WeakPolarHBondContact O-CB 3.46Å; M290-S293 PolarHBondContact O-N 2.98Å; M290-S293 VanDerWaalsContact O-N 3.13Å; E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.15Å; S293-D295 VanDerWaalsContact C-N 3.25Å; S293-D295 PolarHBondContact O-N 3.35Å; S293-L296 PolarHBondContact O-N 3.16Å; S293-L296 VanDerWaalsContact OG-CG 3.32Å; S293-L296 WeakPolarHBondContact OG-CG 3.4Å; S293-L296 PolarHBondContact OG-N 3.16Å; S293-L297 PolarHBondContact O-N 3.49Å; S293-G473 WeakPolarHBondContact CB-O 3.38Å; S293-G473 PolarHBondContact OG-O 3.46Å; S293-T475 WeakPolarHBondContact CA-O 3.38Å; S293-T475 VanDerWaalsContact CB-O 3.24Å; S293-T475 WeakPolarHBondContact CB-O 3.43Å
294P88.4Confident95Very high39 Ų3933.8 Ų33.825%0.25317%0.166SC..Hα-helixtrans-68.1-24.1-178.430.2-37.8000113A298 R465 G473 T475P294-A298 PolarHBondContact O-N 2.95Å; P294-R465 PolarHBondContact O-NH1 3.17Å; P294-R465 VanDerWaalsContact O-NH1 3.08Å; P294-G473 WeakPolarHBondContact CD-O 3.38Å; P294-T475 WeakPolarHBondContact CD-O 3.35Å
295D90.3Very high95Very high6 Ų637 Ų373%0.03218%0.181CC..Hα-helixtrans-70.6-42.9172-824.7000111.8S258 S293 L297 A298 A299 R465 G473S258-D295 CarbonylContact O-C 3.58Å; S258-D295 WeakPolarHBondContact O-CA 3.48Å; S258-D295 VanDerWaalsContact O-CB 3.29Å; S258-D295 WeakPolarHBondContact O-CB 3.32Å; S293-D295 VanDerWaalsContact C-N 3.25Å; S293-D295 PolarHBondContact O-N 3.35Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.01Å; D295-A298 PolarHBondContact O-N 2.78Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.08Å; D295-A299 PolarHBondContact O-N 3.45Å; D295-R465 IonicContact OD1-NH2 2.8Å; D295-G473 WeakPolarHBondContact CB-O 3.43Å; D295-G473 PolarHBondContact N-O 3.09Å; D295-G473 WeakPolarHBondContact OD1-CA 3.36Å; D295-G473 VanDerWaalsContact OD2-CA 3.3Å; D295-G473 WeakPolarHBondContact OD2-CA 3.49Å
296L95.1Very high95Very high5 Ų537.9 Ų37.93%0.02619%0.186CC..Hα-helixtrans-60.4-43.7177.3-71.7177.3000111.2A287 M290 S293 A298 A299 R300 E312 L314A287-L296 HydrophobicContact CB-CD2 3.7Å; M290-L296 WeakPolarHBondContact O-CD1 3.28Å; S293-L296 PolarHBondContact O-N 3.16Å; S293-L296 VanDerWaalsContact OG-CG 3.32Å; S293-L296 WeakPolarHBondContact OG-CG 3.4Å; S293-L296 PolarHBondContact OG-N 3.16Å; L296-A298 PolarHBondContact O-N 3.27Å; L296-A299 PolarHBondContact O-N 2.89Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.47Å; L296-E312 HydrophobicContact CD2-CB 4.15Å; L296-E312 HydrophobicContact CD2-CG 4.19Å; L296-L314 HydrophobicContact CD1-CD2 3.46Å; L296-L314 VanDerWaalsContact CD1-CD2 3.46Å
297L94.4Very high95Very high83 Ų8340.6 Ų40.644%0.43521%0.214SC..Hα-helixtrans-62.2-41.7177.5-68.5175.2000112.6S293 D295 K301S293-L297 PolarHBondContact O-N 3.49Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.01Å; L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 2.75Å
298A96.3Very high95Very high3 Ų341.2 Ų41.23%0.02522%0.218CC..Hα-helixtrans-74.1-38.6177.700000113.3P294 D295 L296 R300 K301 V302 I462P294-A298 PolarHBondContact O-N 2.95Å; D295-A298 PolarHBondContact O-N 2.78Å; L296-A298 PolarHBondContact O-N 3.27Å; A298-R300 VanDerWaalsContact C-N 3.29Å; A298-R300 PolarHBondContact O-N 3.14Å; A298-K301 WeakPolarHBondContact O-CB 3.28Å; A298-K301 PolarHBondContact O-N 2.73Å; A298-K301 VanDerWaalsContact O-N 3.15Å; A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 2.94Å; A298-I462 HydrophobicContact CB-CD1 3.67Å
299A98Very high95.1Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-57-45.917400000110.6L257 A287 D295 L296 K301 V302 A303L257-A299 HydrophobicContact CG-CB 4.15Å; L257-A299 WeakPolarHBondContact O-CB 3.2Å; A287-A299 HydrophobicContact CB-CB 3.59Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.08Å; D295-A299 PolarHBondContact O-N 3.45Å; L296-A299 PolarHBondContact O-N 2.89Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.43Å; A299-V302 PolarHBondContact O-N 3.5Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.32Å; A299-A303 PolarHBondContact O-N 3.26Å
300R98.2Very high95.2Very high103 Ų10346.4 Ų46.439%0.38924%0.242SC..Hα-helixtrans-55.8-45.1174.4-166-176.4-63150.23112.6L296 A298 A303 N304 E312L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.47Å; A298-R300 VanDerWaalsContact C-N 3.29Å; A298-R300 PolarHBondContact O-N 3.14Å; R300-A303 PolarHBondContact O-N 3.33Å; R300-N304 WeakPolarHBondContact O-CB 3.3Å; R300-N304 PolarHBondContact O-N 3.08Å; R300-N304 PolarHBondContact O-ND2 3Å; R300-E312 VanDerWaalsContact CB-OE1 3.31Å; R300-E312 WeakPolarHBondContact CB-OE1 3.43Å; R300-E312 WeakPolarHBondContact CG-OE1 3.5Å; R300-E312 IonicContact CZ-OE1 3.47Å; R300-E312 IonicContact CZ-OE2 3.86Å; R300-E312 IonicContact NE-OE1 3.98Å; R300-E312 PolarHBondContact NE-OE1 3.42Å; R300-E312 IonicContact NE-OE2 3.19Å; R300-E312 IonicContact NH2-OE1 3.46Å; R300-E312 PolarHBondContact NH2-OE1 3.09Å; R300-E312 IonicContact NH2-OE2 2.8Å; R300-E312 PolarHBondContact NH2-OE2 3.39Å
301K98.3Very high95.6Very high103 Ų10348.3 Ų48.345%0.44825%0.249SC..Hα-helixtrans-62.5-45178.8-72.3176.4174.2-1680111.9L297 A298 A299 N304 H305 E461L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 2.75Å; A298-K301 WeakPolarHBondContact O-CB 3.28Å; A298-K301 PolarHBondContact O-N 2.73Å; A298-K301 VanDerWaalsContact O-N 3.15Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.43Å; K301-N304 PolarHBondContact O-N 3.16Å; K301-H305 WeakPolarHBondContact O-CB 3.44Å; K301-H305 PolarHBondContact O-N 3.45Å; K301-E461 WeakPolarHBondContact CD-OE1 3.48Å; K301-E461 WeakPolarHBondContact CE-OE1 3.42Å; K301-E461 IonicContact NZ-OE1 2.71Å; K301-E461 PolarHBondContact NZ-OE1 2.86Å
302V98.7Very high96.2Very high0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-66-44.8177.8178.50000110.6L257 S264 A298 A299 N304 H305 I306 I458 I462L257-V302 HydrophobicContact CD1-CB 4.12Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.18Å; S264-V302 WeakPolarHBondContact OG-CG2 3.4Å; A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 2.94Å; A299-V302 PolarHBondContact O-N 3.5Å; V302-N304 VanDerWaalsContact C-N 3.32Å; V302-N304 PolarHBondContact O-N 3.3Å; V302-H305 WeakPolarHBondContact O-CB 3.47Å; V302-H305 PolarHBondContact O-N 3.19Å; V302-H305 VanDerWaalsContact O-N 3.11Å; V302-I306 HydrophobicContact CG1-CG2 4.37Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 3.09Å; V302-I458 HydrophobicContact CG1-CG2 4.33Å; V302-I462 HydrophobicContact CG2-CB 4.24Å; V302-I462 HydrophobicContact CG2-CD1 4.35Å; V302-I462 HydrophobicContact CG2-CG1 3.79Å; V302-I462 HydrophobicContact CG2-CG2 3.81Å
303A98.8Very high96.7Very high1 Ų141.9 Ų41.91%0.00822%0.217CC..Hα-helixtrans-58.2-43.8177.900000112.4L257 A299 R300 G307 S308 H310L257-A303 HydrophobicContact CD2-CB 3.98Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.32Å; A299-A303 PolarHBondContact O-N 3.26Å; R300-A303 PolarHBondContact O-N 3.33Å; A303-G307 WeakPolarHBondContact O-CA 3.32Å; A303-G307 PolarHBondContact O-N 3.11Å; A303-S308 WeakPolarHBondContact CA-OG 3.41Å; A303-S308 WeakPolarHBondContact CB-OG 3.16Å; A303-S308 PolarHBondContact O-N 2.54Å; A303-S308 VanDerWaalsContact O-N 3.15Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.46Å
304N98.7Very high97.1Very high123 Ų12346.8 Ų46.866%0.65824%0.243SC*.Hα-helixtrans-64.2-39.5174.7-72.1-16.4000112.2R300 K301 V302R300-N304 WeakPolarHBondContact O-CB 3.3Å; R300-N304 PolarHBondContact O-N 3.08Å; R300-N304 PolarHBondContact O-ND2 3Å; K301-N304 PolarHBondContact O-N 3.16Å; V302-N304 VanDerWaalsContact C-N 3.32Å; V302-N304 PolarHBondContact O-N 3.3Å
305H98.7Very high97.3Very high74 Ų7445.3 Ų45.334%0.34323%0.232SC..Hα-helixtrans-65.4-46178.6-176.891.9000112.2K301 V302 N456 L457 P459K301-H305 WeakPolarHBondContact O-CB 3.44Å; K301-H305 PolarHBondContact O-N 3.45Å; V302-H305 WeakPolarHBondContact O-CB 3.47Å; V302-H305 PolarHBondContact O-N 3.19Å; V302-H305 VanDerWaalsContact O-N 3.11Å; H305-N456 PolarHBondContact NE2-O 3.03Å; H305-L457 PolarHBondContact CD2-O 2.82Å; H305-P459 HydrophobicContact CB-CG 3.73Å
306I98.4Very high97.4Very high19 Ų1949.2 Ų49.210%0.09725%0.253CS..Hα-helixtrans-82.4-24.3-177.671.8-179.8000112.2A267 A268 L271 V302A267-I306 HydrophobicContact CB-CD1 4.05Å; A268-I306 HydrophobicContact CB-CG2 3.71Å; L271-I306 HydrophobicContact CD2-CB 3.86Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.44Å; V302-I306 HydrophobicContact CG1-CG2 4.37Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 3.09Å
307G98.4Very high97.2Very high58 Ų5851.5 Ų51.560%0.59827%0.269SS*.THydrogen-bonded Turntrans78.643.5-176.400000113.1A303A303-G307 WeakPolarHBondContact O-CA 3.32Å; A303-G307 PolarHBondContact O-N 3.11Å
308S98.8Very high97.2Very high17 Ų1753.3 Ų53.312%0.11928%0.276CS..  trans-85.7154.6173.359.70000112L283 T285 A303 H310L283-S308 WeakPolarHBondContact O-CB 3.19Å; T285-S308 PolarHBondContact OG1-OG 3.12Å; A303-S308 WeakPolarHBondContact CA-OG 3.41Å; A303-S308 WeakPolarHBondContact CB-OG 3.16Å; A303-S308 PolarHBondContact O-N 2.54Å; A303-S308 VanDerWaalsContact O-N 3.15Å; S308-H310 PolarHBondContact O-N 3.38Å
309E98.8Very high97.2Very high71 Ų7156.5 Ų56.533%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-76.4100.1168.4-175.8-177.314900109.2R252 P282 L283 Q284 T285 Y311R252-E309 IonicContact NH2-OE2 2.82Å; P282-E309 HydrophobicContact CB-CB 4.25Å; P282-E309 WeakPolarHBondContact CG-OE2 3.15Å; L283-E309 PolarHBondContact O-N 3.01Å; Q284-E309 CarbonylContact C-O 3.6Å; Q284-E309 VanDerWaalsContact CA-O 3.24Å; Q284-E309 WeakPolarHBondContact CA-O 3.43Å; Q284-E309 HydrophobicContact CG-CB 4.02Å; Q284-E309 HydrophobicContact CG-CG 4.13Å; Q284-E309 PolarHBondContact NE2-OE1 3.45Å; T285-E309 PolarHBondContact N-O 3.28Å; E309-Y311 HydrophobicContact CG-CE2 4.07Å; E309-Y311 PolarHBondContact OE1-OH 2.92Å
310H98.8Very high97Very high47 Ų4756.5 Ų56.522%0.21829%0.29CS..EExtended strand (participates in β ladder)trans-96.2134.7-166.4-163.847.4000113.5T285 A303 S308 E312T285-H310 PolarHBondContact O-ND1 3.47Å; T285-H310 PolarHBondContact OG1-ND1 3.46Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.46Å; S308-H310 PolarHBondContact O-N 3.38Å; H310-E312 IonicContact CD2-OE1 3.95Å
311Y98.8Very high96.9Very high53 Ų5353.1 Ų53.121%0.20828%0.28CS..EExtended strand (participates in β ladder)trans-116.9119173.4-66.2-93.4000109.9Q284 T285 F286 A287 E309 Y351Q284-Y311 HydrophobicContact CB-CD2 4.36Å; Q284-Y311 HydrophobicContact CB-CE2 4.03Å; Q284-Y311 HydrophobicContact CG-CE2 3.79Å; Q284-Y311 PolarHBondContact NE2-OH 3.4Å; Q284-Y311 VanDerWaalsContact NE2-OH 3.12Å; T285-Y311 PolarHBondContact O-N 3.46Å; F286-Y311 HydrophobicContact CD1-CD2 4.07Å; F286-Y311 HydrophobicContact CD1-CG 4.1Å; F286-Y311 AromaticContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CE2 4.17Å; F286-Y311 AromaticContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CZ-CD2 4.14Å; F286-Y311 HydrophobicContact CZ-CE2 4.49Å; A287-Y311 PolarHBondContact N-O 3.46Å; E309-Y311 HydrophobicContact CG-CE2 4.07Å; E309-Y311 PolarHBondContact OE1-OH 2.92Å; Y311-Y351 HydrophobicContact CD1-CE1 4.01Å; Y311-Y351 WeakPolarHBondContact CD1-OH 3.38Å; Y311-Y351 HydrophobicContact CG-CE1 4.37Å
312E98.4Very high96.9Very high60 Ų6054.3 Ų54.328%0.2829%0.286SS..EExtended strand (participates in β ladder)trans-100115.8169.9-68.2179.5-165.700109.1L296 R300 H310L296-E312 HydrophobicContact CD2-CB 4.15Å; L296-E312 HydrophobicContact CD2-CG 4.19Å; R300-E312 VanDerWaalsContact CB-OE1 3.31Å; R300-E312 WeakPolarHBondContact CB-OE1 3.43Å; R300-E312 WeakPolarHBondContact CG-OE1 3.5Å; R300-E312 IonicContact CZ-OE1 3.47Å; R300-E312 IonicContact CZ-OE2 3.86Å; R300-E312 IonicContact NE-OE1 3.98Å; R300-E312 PolarHBondContact NE-OE1 3.42Å; R300-E312 IonicContact NE-OE2 3.19Å; R300-E312 IonicContact NH2-OE1 3.46Å; R300-E312 PolarHBondContact NH2-OE1 3.09Å; R300-E312 IonicContact NH2-OE2 2.8Å; R300-E312 PolarHBondContact NH2-OE2 3.39Å; H310-E312 IonicContact CD2-OE1 3.95Å
313V97.9Very high96.9Very high15 Ų1554.7 Ų54.79%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-101.1121.4179.7-177.80000108.6A287 I288 G289 I348 Y351A287-V313 PolarHBondContact O-N 3.45Å; I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.34Å; I288-V313 HydrophobicContact CB-CB 4.36Å; I288-V313 HydrophobicContact CD1-CB 4.47Å; I288-V313 HydrophobicContact CD1-CG1 4.09Å; I288-V313 HydrophobicContact CG1-CB 4.23Å; I288-V313 HydrophobicContact CG1-CG1 4.29Å; I288-V313 WeakPolarHBondContact CG1-O 3.38Å; G289-V313 PolarHBondContact N-O 3.46Å; G289-V313 VanDerWaalsContact N-O 3.07Å; V313-I348 HydrophobicContact CB-CD1 3.63Å; V313-I348 HydrophobicContact CG1-CD1 4.29Å; V313-I348 HydrophobicContact CG2-CD1 3.22Å; V313-Y351 HydrophobicContact CB-CD2 4.48Å; V313-Y351 HydrophobicContact CG1-CD2 3.94Å; V313-Y351 HydrophobicContact CG1-CG 4.2Å; V313-Y351 HydrophobicContact CG2-CD1 3.58Å; V313-Y351 HydrophobicContact CG2-CD2 3.68Å; V313-Y351 HydrophobicContact CG2-CE1 3.83Å; V313-Y351 HydrophobicContact CG2-CE2 3.91Å; V313-Y351 HydrophobicContact CG2-CG 3.52Å
314L96.9Very high96.8Very high103 Ų10354.7 Ų54.754%0.53929%0.289SS..EExtended strand (participates in β ladder)trans-92.3129.9173.6-57.7-178.4000108.9G289 L296G289-L314 WeakPolarHBondContact O-CA 3.32Å; L296-L314 HydrophobicContact CD1-CD2 3.46Å; L296-L314 VanDerWaalsContact CD1-CD2 3.46Å
315F93.8Very high96.8Very high7 Ų751.2 Ų51.23%0.03127%0.271CS..  trans-115.5147.3166.682.2-76.7000109.5I288 G289 M290 L347 I474 W481I288-F315 HydrophobicContact CD1-CB 4.35Å; I288-F315 HydrophobicContact CD1-CD1 4.27Å; I288-F315 HydrophobicContact CG1-CD1 3.88Å; G289-F315 PolarHBondContact O-N 3.09Å; G289-F315 VanDerWaalsContact O-N 3.17Å; M290-F315 HydrophobicContact CE-CE2 3.81Å; M290-F315 HydrophobicContact CE-CZ 3.87Å; M290-F315 HydrophobicContact CG-CD1 4.45Å; M290-F315 HydrophobicContact CG-CE1 3.9Å; M290-F315 HydrophobicContact CG-CE2 4.39Å; M290-F315 HydrophobicContact CG-CZ 3.87Å; F315-L347 HydrophobicContact CB-CD1 3.87Å; F315-L347 HydrophobicContact CD2-CD1 4.05Å; F315-L347 HydrophobicContact CG-CD1 4.14Å; F315-I474 HydrophobicContact CE1-CB 4.34Å; F315-I474 HydrophobicContact CE1-CD1 4.05Å; F315-I474 HydrophobicContact CE1-CG1 4.34Å; F315-I474 HydrophobicContact CZ-CD1 4.01Å; F315-I474 HydrophobicContact CZ-CG1 4.43Å; F315-W481 HydrophobicContact CE2-CD2 4.42Å; F315-W481 HydrophobicContact CE2-CE3 4.24Å
316N91.4Very high96.8Very high89 Ų8952.5 Ų52.548%0.47628%0.277SS..  trans-101.3167.1175.371.352.4000111.2E318 E319 G320N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.32Å; N316-E318 PolarHBondContact OD1-N 3.15Å; N316-E319 PolarHBondContact O-N 2.88Å; N316-E319 WeakPolarHBondContact OD1-CB 3.44Å; N316-E319 PolarHBondContact OD1-N 3.38Å; N316-G320 PolarHBondContact O-N 3.41Å
317S91.3Very high96.8Very high52 Ų5251.6 Ų51.636%0.36427%0.273SS..Hα-helixtrans-60.4-37.9-178.350.70000113.7G320 I321S317-G320 PolarHBondContact O-N 2.91Å; S317-I321 VanDerWaalsContact O-CG1 3.29Å; S317-I321 WeakPolarHBondContact O-CG1 3.17Å; S317-I321 PolarHBondContact O-N 3.48Å
318E94.1Very high96.9Very high122 Ų12248.9 Ų48.957%0.5724%0.244SC*.Hα-helixtrans-68.4-46-178.8-177.1-178.7172.300110.7N316 G320 I321 Q322N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.32Å; N316-E318 PolarHBondContact OD1-N 3.15Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 3.12Å; E318-I321 PolarHBondContact O-N 2.94Å; E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.36Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.43Å; E318-Q322 PolarHBondContact O-N 3.38Å; E318-Q322 PolarHBondContact OE1-NE2 2.89Å
319E95.5Very high96.9Very high70 Ų7051.6 Ų51.633%0.32725%0.254SS..Hα-helixtrans-58.3-44.8174.6-176.9179-161.900111.1N316 I321 Q322 A323 L347N316-E319 PolarHBondContact O-N 2.88Å; N316-E319 WeakPolarHBondContact OD1-CB 3.44Å; N316-E319 PolarHBondContact OD1-N 3.38Å; E319-I321 PolarHBondContact O-N 2.72Å; E319-Q322 PolarHBondContact O-N 3.06Å; E319-A323 WeakPolarHBondContact O-CB 3.4Å; E319-A323 PolarHBondContact O-N 2.61Å; E319-L347 HydrophobicContact CG-CD1 4Å; E319-L347 HydrophobicContact CG-CD2 3.99Å
320G94.9Very high96.9Very high0 Ų048.6 Ų48.60%024%0.241CC..Hα-helixtrans-61.1-43.7176.700000112.9N316 S317 E318 A323N316-G320 PolarHBondContact O-N 3.41Å; S317-G320 PolarHBondContact O-N 2.91Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 3.12Å; G320-A323 PolarHBondContact O-N 2.85Å
321I96.6Very high96.9Very high32 Ų3246.4 Ų46.416%0.16423%0.231CC..Hα-helixtrans-68.5-44.8179.3-72165.7000110.8S317 E318 E319 A323 L324 W481 I484 Y488S317-I321 VanDerWaalsContact O-CG1 3.29Å; S317-I321 WeakPolarHBondContact O-CG1 3.17Å; S317-I321 PolarHBondContact O-N 3.48Å; E318-I321 PolarHBondContact O-N 2.94Å; E319-I321 PolarHBondContact O-N 2.72Å; I321-A323 PolarHBondContact O-N 3.25Å; I321-L324 WeakPolarHBondContact O-CB 3.39Å; I321-L324 WeakPolarHBondContact O-CG 3.31Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.15Å; I321-W481 HydrophobicContact CG1-CH2 4.09Å; I321-W481 HydrophobicContact CG1-CZ3 4.13Å; I321-I484 HydrophobicContact CD1-CG2 3.95Å; I321-Y488 HydrophobicContact CD1-CD2 4.02Å; I321-Y488 HydrophobicContact CD1-CG 3.96Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 4.03Å; I321-Y488 HydrophobicContact CG2-CD2 3.96Å; I321-Y488 HydrophobicContact CG2-CE1 3.68Å; I321-Y488 HydrophobicContact CG2-CE2 3.63Å; I321-Y488 HydrophobicContact CG2-CG 4.15Å; I321-Y488 VanDerWaalsContact CG2-CZ 3.47Å
322Q97.3Very high96.9Very high127 Ų12744.1 Ų44.159%0.59322%0.222SC*.Hα-helixtrans-61.7-33.2178.9-74.3175.31.500111.9E318 E319 L324E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.36Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.43Å; E318-Q322 PolarHBondContact O-N 3.38Å; E318-Q322 PolarHBondContact OE1-NE2 2.89Å; E319-Q322 PolarHBondContact O-N 3.06Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.39Å
323A98.1Very high96.9Very high8 Ų841.4 Ų41.47%0.06621%0.21CC..THydrogen-bonded Turntrans-71.5-16.3178.400000114.2E319 G320 I321 D325 E326 V327 V343 L347E319-A323 WeakPolarHBondContact O-CB 3.4Å; E319-A323 PolarHBondContact O-N 2.61Å; G320-A323 PolarHBondContact O-N 2.85Å; I321-A323 PolarHBondContact O-N 3.25Å; A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.29Å; A323-E326 PolarHBondContact O-N 3.08Å; A323-V327 HydrophobicContact CB-CG2 4.21Å; A323-V327 VanDerWaalsContact O-CB 3.31Å; A323-V327 WeakPolarHBondContact O-CB 3.38Å; A323-V327 WeakPolarHBondContact O-CG2 3.43Å; A323-V327 PolarHBondContact O-N 2.75Å; A323-V343 HydrophobicContact CB-CG1 4.47Å; A323-L347 HydrophobicContact CB-CD2 4.27Å
324L98.5Very high96.9Very high1 Ų140.7 Ų40.71%0.00521%0.206CC..Hα-helixtrans-56.5-39-172.9-74.5170.2000113.4I321 Q322 I328 V339 V343 L485 Y517 Y518 I521I321-L324 WeakPolarHBondContact O-CB 3.39Å; I321-L324 WeakPolarHBondContact O-CG 3.31Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.15Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.39Å; L324-I328 WeakPolarHBondContact O-CB 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 3.27Å; L324-V339 HydrophobicContact CD2-CG1 3.92Å; L324-V343 HydrophobicContact CD2-CG2 3.75Å; L324-L485 HydrophobicContact CD1-CD2 3.86Å; L324-L485 HydrophobicContact CD2-CD2 4.37Å; L324-Y517 HydrophobicContact CD1-CE1 4.04Å; L324-Y518 HydrophobicContact CD1-CE1 4.44Å; L324-Y518 HydrophobicContact CD2-CE1 3.96Å; L324-I521 HydrophobicContact CB-CD1 4.47Å
325D98.6Very high97Very high51 Ų5135.8 Ų35.827%0.27318%0.18SC..Hα-helixtrans-64.8-51.5179.9-172.769.1000112A323 V327 I328 F329 I521 R524 H525A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.29Å; D325-V327 VanDerWaalsContact C-N 3.31Å; D325-V327 PolarHBondContact O-N 3.41Å; D325-I328 PolarHBondContact O-N 2.92Å; D325-F329 WeakPolarHBondContact O-CB 3.47Å; D325-F329 PolarHBondContact O-N 3.2Å; D325-I521 WeakPolarHBondContact OD1-CG2 3.27Å; D325-R524 IonicContact OD1-CZ 2.99Å; D325-R524 IonicContact OD1-NE 3.76Å; D325-R524 IonicContact OD1-NH2 2.68Å; D325-R524 PolarHBondContact OD1-NH2 2.83Å; D325-H525 VanDerWaalsContact CG-NE2 3.3Å; D325-H525 IonicContact OD1-CD2 3.68Å; D325-H525 IonicContact OD1-CE1 2.73Å; D325-H525 IonicContact OD1-NE2 2.65Å; D325-H525 PolarHBondContact OD1-NE2 2.91Å; D325-H525 IonicContact OD2-CE1 2.82Å; D325-H525 IonicContact OD2-NE2 2.85Å; D325-H525 PolarHBondContact OD2-NE2 3.22Å
326E98.5Very high97.1Very high101 Ų10136 Ų3647%0.47218%0.181SC..Hα-helixtrans-66.8-33.8179.1-66.4-175.1-125.600112.1A323 S330 Y346A323-E326 PolarHBondContact O-N 3.08Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.14Å; E326-S330 PolarHBondContact O-OG 2.84Å; E326-Y346 PolarHBondContact OE2-OH 3.1Å
327V98.8Very high97.1Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-65.9-51.4175.8167.80000110.2A323 D325 F329 S330 L331 V343 Y346A323-V327 HydrophobicContact CB-CG2 4.21Å; A323-V327 VanDerWaalsContact O-CB 3.31Å; A323-V327 WeakPolarHBondContact O-CB 3.38Å; A323-V327 WeakPolarHBondContact O-CG2 3.43Å; A323-V327 PolarHBondContact O-N 2.75Å; D325-V327 VanDerWaalsContact C-N 3.31Å; D325-V327 PolarHBondContact O-N 3.41Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 3.4Å; V327-S330 PolarHBondContact O-N 3.44Å; V327-S330 VanDerWaalsContact O-N 3.1Å; V327-L331 HydrophobicContact CG1-CD1 3.6Å; V327-L331 HydrophobicContact CG1-CG 4.17Å; V327-L331 WeakPolarHBondContact O-CB 3.49Å; V327-L331 WeakPolarHBondContact O-CG 3.45Å; V327-L331 PolarHBondContact O-N 3.24Å; V327-V343 HydrophobicContact CG1-CG2 4.32Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V327-Y346 HydrophobicContact CG2-CD1 4.03Å; V327-Y346 HydrophobicContact CG2-CD2 4.08Å; V327-Y346 HydrophobicContact CG2-CG 3.69Å
328I98.9Very high97.4Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-64.5-38.7178.9-69.8167.3000111L324 D325 S330 L331 E332 V339 Y518 I521 F522L324-I328 WeakPolarHBondContact O-CB 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 3.27Å; D325-I328 PolarHBondContact O-N 2.92Å; I328-S330 VanDerWaalsContact C-N 3.33Å; I328-S330 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 3.36Å; I328-E332 PolarHBondContact O-N 2.98Å; I328-V339 HydrophobicContact CD1-CG1 4.13Å; I328-V339 HydrophobicContact CD1-CG2 4.38Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.83Å; I328-Y518 HydrophobicContact CD1-CD1 3.93Å; I328-Y518 HydrophobicContact CD1-CG 4.21Å; I328-I521 HydrophobicContact CB-CG2 3.75Å; I328-I521 HydrophobicContact CD1-CB 3.81Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.41Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.36Å; I328-I521 HydrophobicContact CG2-CB 4.29Å; I328-I521 HydrophobicContact CG2-CG2 3.72Å; I328-F522 HydrophobicContact CG2-CB 3.99Å
329F98.9Very high97.5Very high74 Ų7425 Ų2533%0.32512%0.123SC..Hα-helixtrans-56.6-47.2170.6172.4-98.9000111.6K162 D325 V327 H525 Y526K162-F329 HydrophobicContact CD-CE1 3.94Å; K162-F329 HydrophobicContact CD-CE2 4.45Å; K162-F329 HydrophobicContact CD-CZ 3.72Å; K162-F329 VanDerWaalsContact CE-O 3.28Å; K162-F329 WeakPolarHBondContact CE-O 3.24Å; D325-F329 WeakPolarHBondContact O-CB 3.47Å; D325-F329 PolarHBondContact O-N 3.2Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 3.4Å; F329-H525 HydrophobicContact CD2-CB 4.32Å; F329-H525 AromaticContact CD2-CG 3.99Å; F329-H525 AromaticContact CD2-ND1 3.79Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.27Å; F329-Y526 PolarHBondContact O-OH 3.05Å
330S98.9Very high97.5Very high9 Ų921.9 Ų21.96%0.06311%0.109CC..Hα-helixtrans-67.2-42.7-178.6-59.90000112.2K162 E326 V327 I328K162-S330 PolarHBondContact NZ-O 3.41Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.14Å; E326-S330 PolarHBondContact O-OG 2.84Å; V327-S330 PolarHBondContact O-N 3.44Å; V327-S330 VanDerWaalsContact O-N 3.1Å; I328-S330 VanDerWaalsContact C-N 3.33Å; I328-S330 PolarHBondContact O-N 2.89Å
331L98.9Very high97.4Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-70.1-37.9-176.7-69.4169.8000113.6V327 I328 T333 T338 V339 S342 L403 R404 R407 T408V327-L331 HydrophobicContact CG1-CD1 3.6Å; V327-L331 HydrophobicContact CG1-CG 4.17Å; V327-L331 WeakPolarHBondContact O-CB 3.49Å; V327-L331 WeakPolarHBondContact O-CG 3.45Å; V327-L331 PolarHBondContact O-N 3.24Å; I328-L331 PolarHBondContact O-N 3.36Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4.05Å; L331-T333 PolarHBondContact O-N 3.25Å; L331-T338 HydrophobicContact CD1-CG2 4.35Å; L331-T338 HydrophobicContact CD2-CG2 4.28Å; L331-V339 HydrophobicContact CD1-CG2 4.04Å; L331-S342 WeakPolarHBondContact CD1-OG 3.41Å; L331-S342 VanDerWaalsContact CD2-OG 3.25Å; L331-S342 WeakPolarHBondContact CD2-OG 3.49Å; L331-L403 HydrophobicContact CB-CD2 4Å; L331-L403 HydrophobicContact CD2-CD2 3.6Å; L331-L403 HydrophobicContact CG-CD2 4.4Å; L331-L403 WeakPolarHBondContact O-CD2 3.43Å; L331-R404 HydrophobicContact CD2-CB 4.43Å; L331-R407 HydrophobicContact CD2-CB 4.19Å; L331-T408 HydrophobicContact CD2-CG2 4.14Å
332E98.8Very high97.5Very high5 Ų520.7 Ų20.72%0.02310%0.104CC..THydrogen-bonded Turntrans64.133.7-173.5-46.2174.9150.200112.5E160 A161 K162 I328 R407 F522 Y526 W532E160-E332 WeakPolarHBondContact CB-OE1 3.39Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 2.64Å; A161-E332 PolarHBondContact N-OE2 3.03Å; K162-E332 VanDerWaalsContact CB-OE1 3.26Å; K162-E332 WeakPolarHBondContact CB-OE1 3.4Å; K162-E332 WeakPolarHBondContact CE-OE1 3.2Å; K162-E332 VanDerWaalsContact CG-OE1 3.31Å; K162-E332 WeakPolarHBondContact CG-OE1 3.28Å; K162-E332 PolarHBondContact N-OE1 3.1Å; K162-E332 VanDerWaalsContact NZ-CD 3.31Å; K162-E332 IonicContact NZ-OE1 2.79Å; K162-E332 PolarHBondContact NZ-OE1 3.49Å; I328-E332 PolarHBondContact O-N 2.98Å; E332-R407 IonicContact OE2-NE 2.79Å; E332-F522 WeakPolarHBondContact O-CE2 3.46Å; E332-Y526 HydrophobicContact CB-CE2 4.18Å; E332-Y526 HydrophobicContact CG-CE2 4Å; E332-W532 HydrophobicContact CB-CE3 4.11Å; E332-W532 HydrophobicContact CB-CZ3 3.99Å
333T98.8Very high97.5Very high4 Ų414.7 Ų14.73%0.0258%0.075CC..  trans-146.6165.2174.7-166.90000111.3L331 D335 T338 L403L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4.05Å; L331-T333 PolarHBondContact O-N 3.25Å; T333-D335 PolarHBondContact OG1-N 3.33Å; T333-T338 HydrophobicContact CG2-CG2 3.74Å; T333-L403 HydrophobicContact CG2-CD2 3.99Å
334Y98.5Very high97.5Very high0 Ų014.3 Ų14.30%07%0.072CC..  trans-122.613.2178.154.7-86.1000112.5I336 N508 F522 A530 L533 Y536Y334-I336 PolarHBondContact O-N 2.92Å; Y334-N508 HydrophobicContact CE2-CB 4.02Å; Y334-N508 VanDerWaalsContact OH-CB 3.32Å; Y334-N508 WeakPolarHBondContact OH-CB 3.35Å; Y334-N508 PolarHBondContact OH-ND2 3.07Å; Y334-N508 VanDerWaalsContact OH-ND2 3.16Å; Y334-F522 HydrophobicContact CD1-CB 4.32Å; Y334-F522 AromaticContact CD1-CD1 3.62Å; Y334-F522 HydrophobicContact CD1-CD1 3.62Å; Y334-F522 AromaticContact CD1-CD2 3.97Å; Y334-F522 HydrophobicContact CD1-CD2 3.97Å; Y334-F522 AromaticContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE2 4.2Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.16Å; Y334-F522 HydrophobicContact CE1-CD1 4.23Å; Y334-F522 HydrophobicContact CE1-CE1 4.1Å; Y334-F522 HydrophobicContact CE1-CZ 4.38Å; Y334-F522 HydrophobicContact CG-CB 4.5Å; Y334-F522 HydrophobicContact CG-CD1 4.47Å; Y334-F522 HydrophobicContact CG-CG 4.32Å; Y334-A530 HydrophobicContact CE1-CB 3.87Å; Y334-A530 WeakPolarHBondContact CE1-O 3.4Å; Y334-A530 PolarHBondContact OH-O 3.25Å; Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 3.9Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.77Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; Y334-L533 PolarHBondContact OH-O 3.31Å; Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.71Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.42Å; Y334-Y536 HydrophobicContact CE2-CE1 4Å; Y334-Y536 HydrophobicContact CE2-CE2 4.24Å; Y334-Y536 AromaticContact CE2-CZ 3.62Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.46Å
335D98.1Very high97.5Very high0 Ų014.4 Ų14.40%07%0.073CC..  trans-63.8131.2175.7176.567.8000111.8T333 T337 T338 V339 F400 L533 Y536 W537T333-D335 PolarHBondContact OG1-N 3.33Å; D335-T337 PolarHBondContact OD2-N 3.19Å; D335-T338 PolarHBondContact O-N 3.04Å; D335-T338 VanDerWaalsContact OD2-CB 3.26Å; D335-T338 WeakPolarHBondContact OD2-CB 3.22Å; D335-T338 PolarHBondContact OD2-N 3.11Å; D335-T338 PolarHBondContact OD2-OG1 2.73Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.28Å; D335-V339 WeakPolarHBondContact O-CG2 3.37Å; D335-V339 PolarHBondContact O-N 2.89Å; D335-F400 HydrophobicContact CB-CD1 4.46Å; D335-F400 HydrophobicContact CB-CE1 4.35Å; D335-L533 HydrophobicContact CB-CD1 4.47Å; D335-L533 HydrophobicContact CB-CD2 3.84Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.4Å; D335-W537 PolarHBondContact OD1-N 3Å
336I95.4Very high97.5Very high11 Ų1112.8 Ų12.86%0.0566%0.063CC..Hα-helixtrans-64.5-49.6-172.2-64.3171.8000111.3Y334 T338 V339 R340 Y518 P547Y334-I336 PolarHBondContact O-N 2.92Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 2.77Å; I336-V339 PolarHBondContact O-N 2.88Å; I336-R340 HydrophobicContact CG2-CG 4.42Å; I336-R340 WeakPolarHBondContact O-CB 3.45Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.41Å; I336-R340 PolarHBondContact O-N 3.45Å; I336-Y518 HydrophobicContact CG1-CD2 4.28Å; I336-Y518 HydrophobicContact CG2-CE2 4.37Å; I336-P547 HydrophobicContact CB-CG 4.02Å; I336-P547 HydrophobicContact CG2-CG 4.04Å
337T92.1Very high97.5Very high29 Ų298.4 Ų8.418%0.1784%0.043CC..Hα-helixtrans-60.2-45.5-179.3-57.10000110.7D335 A341 W537 P547D335-T337 PolarHBondContact OD2-N 3.19Å; T337-A341 WeakPolarHBondContact O-CB 3.43Å; T337-A341 PolarHBondContact O-N 3.15Å; T337-A341 VanDerWaalsContact O-N 3.16Å; T337-W537 HydrophobicContact CG2-CD2 4.46Å; T337-W537 HydrophobicContact CG2-CE3 4.26Å; T337-P547 WeakPolarHBondContact OG1-CB 3.35Å; T337-P547 WeakPolarHBondContact OG1-CG 3.45Å
338T96.8Very high97.5Very high3 Ų38.6 Ų8.62%0.0184%0.044CC..Hα-helixtrans-62.4-50.9-179.4-57.90000111.1L331 T333 D335 I336 A341 S342 L403 R404L331-T338 HydrophobicContact CD1-CG2 4.35Å; L331-T338 HydrophobicContact CD2-CG2 4.28Å; T333-T338 HydrophobicContact CG2-CG2 3.74Å; D335-T338 PolarHBondContact O-N 3.04Å; D335-T338 VanDerWaalsContact OD2-CB 3.26Å; D335-T338 WeakPolarHBondContact OD2-CB 3.22Å; D335-T338 PolarHBondContact OD2-N 3.11Å; D335-T338 PolarHBondContact OD2-OG1 2.73Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 2.77Å; T338-A341 PolarHBondContact O-N 3.39Å; T338-S342 WeakPolarHBondContact O-CB 3.45Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 3.11Å; T338-L403 HydrophobicContact CG2-CD2 4.04Å; T338-R404 HydrophobicContact CG2-CB 4.21Å
339V97.8Very high97.5Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-62.4-47.8-179.91730000111.4L324 I328 L331 D335 I336 A341 S342 V343 Y518L324-V339 HydrophobicContact CD2-CG1 3.92Å; I328-V339 HydrophobicContact CD1-CG1 4.13Å; I328-V339 HydrophobicContact CD1-CG2 4.38Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.83Å; L331-V339 HydrophobicContact CD1-CG2 4.04Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.28Å; D335-V339 WeakPolarHBondContact O-CG2 3.37Å; D335-V339 PolarHBondContact O-N 2.89Å; I336-V339 PolarHBondContact O-N 2.88Å; V339-A341 PolarHBondContact O-N 3.31Å; V339-S342 PolarHBondContact O-N 3.14Å; V339-S342 VanDerWaalsContact O-N 3.15Å; V339-V343 PolarHBondContact O-N 2.96Å; V339-Y518 HydrophobicContact CB-CD2 3.81Å; V339-Y518 HydrophobicContact CB-CE2 3.68Å; V339-Y518 HydrophobicContact CB-CG 4.37Å; V339-Y518 HydrophobicContact CG1-CD1 4.02Å; V339-Y518 HydrophobicContact CG1-CD2 3.88Å; V339-Y518 HydrophobicContact CG1-CE1 3.79Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.07Å; V339-Y518 HydrophobicContact CG2-CD2 4.11Å; V339-Y518 HydrophobicContact CG2-CE2 4.49Å; V339-Y518 HydrophobicContact CG2-CG 4.41Å
340R94.4Very high97.5Very high5 Ų59.8 Ų9.82%0.0195%0.049CC..Hα-helixtrans-54.4-49.5179.5-75.9175.7-179.6160.74.6112.2I336 S342 W481 L485 E514 D546I336-R340 HydrophobicContact CG2-CG 4.42Å; I336-R340 WeakPolarHBondContact O-CB 3.45Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.41Å; I336-R340 PolarHBondContact O-N 3.45Å; R340-S342 VanDerWaalsContact C-N 3.34Å; R340-W481 PolarHBondContact O-NE1 2.67Å; R340-L485 HydrophobicContact CG-CD1 3.95Å; R340-E514 WeakPolarHBondContact CG-OE1 3.29Å; R340-E514 IonicContact CZ-OE1 3.6Å; R340-E514 IonicContact CZ-OE2 3.54Å; R340-E514 IonicContact NE-OE1 2.78Å; R340-E514 PolarHBondContact NE-OE1 3.19Å; R340-E514 IonicContact NE-OE2 3.37Å; R340-E514 PolarHBondContact NE-OE2 3.26Å; R340-E514 IonicContact NH2-OE1 3.82Å; R340-E514 PolarHBondContact NH2-OE1 3.45Å; R340-E514 IonicContact NH2-OE2 3.55Å; R340-E514 PolarHBondContact NH2-OE2 3.2Å; R340-D546 IonicContact CZ-OD1 3.33Å; R340-D546 IonicContact CZ-OD2 2.81Å; R340-D546 IonicContact NH1-OD1 2.67Å; R340-D546 PolarHBondContact NH1-OD1 3.17Å; R340-D546 IonicContact NH1-OD2 2.73Å; R340-D546 IonicContact NH2-OD1 3.54Å; R340-D546 PolarHBondContact NH2-OD1 2.96Å; R340-D546 IonicContact NH2-OD2 3.51Å; R340-D546 PolarHBondContact NH2-OD2 3.38Å
341A93.9Very high97.5Very high7 Ų712.6 Ų12.66%0.0586%0.058CC..Hα-helixtrans-72.9-28-178.400000112.6T337 T338 V339 V343 F470T337-A341 WeakPolarHBondContact O-CB 3.43Å; T337-A341 PolarHBondContact O-N 3.15Å; T337-A341 VanDerWaalsContact O-N 3.16Å; T338-A341 PolarHBondContact O-N 3.39Å; V339-A341 PolarHBondContact O-N 3.31Å; A341-V343 PolarHBondContact O-N 2.88Å; A341-F470 HydrophobicContact CB-CD1 4.01Å; A341-F470 WeakPolarHBondContact O-CD1 3.25Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å
342S97.9Very high97.5Very high0 Ų012.6 Ų12.60%06%0.058CC..Hα-helixtrans-72.5-26.1-176.3-63.90000114L331 T338 V339 R340 M345 Y346 R404L331-S342 WeakPolarHBondContact CD1-OG 3.41Å; L331-S342 VanDerWaalsContact CD2-OG 3.25Å; L331-S342 WeakPolarHBondContact CD2-OG 3.49Å; T338-S342 WeakPolarHBondContact O-CB 3.45Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 3.11Å; V339-S342 PolarHBondContact O-N 3.14Å; V339-S342 VanDerWaalsContact O-N 3.15Å; R340-S342 VanDerWaalsContact C-N 3.34Å; S342-M345 PolarHBondContact O-N 2.86Å; S342-Y346 WeakPolarHBondContact O-CB 3.39Å; S342-Y346 PolarHBondContact O-N 3.05Å; S342-R404 WeakPolarHBondContact OG-CD 3.22Å; S342-R404 WeakPolarHBondContact OG-CG 3.17Å
343V97.9Very high97.5Very high0 Ų017.8 Ų17.80%08%0.078CC..Hα-helixtrans-59.2-51.3179.11730000111.1A323 L324 V327 V339 A341 M345 Y346 L347 W481A323-V343 HydrophobicContact CB-CG1 4.47Å; L324-V343 HydrophobicContact CD2-CG2 3.75Å; V327-V343 HydrophobicContact CG1-CG2 4.32Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V339-V343 PolarHBondContact O-N 2.96Å; A341-V343 PolarHBondContact O-N 2.88Å; V343-M345 PolarHBondContact O-N 3.12Å; V343-Y346 PolarHBondContact O-N 2.73Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.47Å; V343-W481 HydrophobicContact CB-CZ2 4.17Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.98Å; V343-W481 HydrophobicContact CG2-CZ2 4.05Å
344G96.9Very high97.5Very high0 Ų025.8 Ų25.80%011%0.112CC..Hα-helixtrans-61.5-44.2176.100000112.1I288 Y346 L347 I348I288-G344 WeakPolarHBondContact CD1-O 3.44Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.2Å; G344-L347 PolarHBondContact O-N 3.43Å; G344-I348 WeakPolarHBondContact O-CG2 3.48Å; G344-I348 PolarHBondContact O-N 2.92Å
345M98.6Very high97.5Very high3 Ų329.7 Ų29.72%0.01513%0.133CC..Hα-helixtrans-67.4-32.5-178.2-159.9173.3-171.800113.3L256 S342 V343 I348 S349 R404 A405 T408 T409 L416L256-M345 HydrophobicContact CD1-CE 3.61Å; L256-M345 HydrophobicContact CD1-CG 4.47Å; S342-M345 PolarHBondContact O-N 2.86Å; V343-M345 PolarHBondContact O-N 3.12Å; M345-I348 VanDerWaalsContact O-CG2 3.28Å; M345-I348 WeakPolarHBondContact O-CG2 3.29Å; M345-S349 VanDerWaalsContact O-CB 3.28Å; M345-S349 WeakPolarHBondContact O-CB 3.36Å; M345-S349 PolarHBondContact O-N 3.46Å; M345-S349 VanDerWaalsContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 3.17Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.68Å; M345-A405 HydrophobicContact CE-CB 3.67Å; M345-A405 HydrophobicContact SD-CB 4.18Å; M345-T408 HydrophobicContact CB-CG2 4.4Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.37Å; M345-T408 PolarHBondContact SD-OG1 3.37Å; M345-T408 VanDerWaalsContact SD-OG1 3.4Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; M345-L416 HydrophobicContact CE-CD1 4.37Å
346Y98.8Very high97.5Very high17 Ų1730.8 Ų30.87%0.06714%0.14CC..Hα-helixtrans-68-50.1173.6-175.7-85.9000110.9E326 V327 S342 V343 G344 I348 S349 K350 A411 H412E326-Y346 PolarHBondContact OE2-OH 3.1Å; V327-Y346 HydrophobicContact CG2-CD1 4.03Å; V327-Y346 HydrophobicContact CG2-CD2 4.08Å; V327-Y346 HydrophobicContact CG2-CG 3.69Å; S342-Y346 WeakPolarHBondContact O-CB 3.39Å; S342-Y346 PolarHBondContact O-N 3.05Å; V343-Y346 PolarHBondContact O-N 2.73Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.2Å; Y346-I348 PolarHBondContact O-N 2.86Å; Y346-S349 WeakPolarHBondContact O-CB 3.22Å; Y346-S349 PolarHBondContact O-N 2.89Å; Y346-K350 PolarHBondContact O-N 2.93Å; Y346-A411 HydrophobicContact CD2-CB 4.02Å; Y346-A411 HydrophobicContact CE2-CB 3.56Å; Y346-H412 AromaticContact CD1-NE2 3.63Å; Y346-H412 AromaticContact CD2-NE2 3.68Å; Y346-H412 AromaticContact CE1-CE1 3.7Å; Y346-H412 AromaticContact CE1-NE2 3.34Å; Y346-H412 VanDerWaalsContact CE1-NE2 3.34Å; Y346-H412 WeakPolarHBondContact CE1-NE2 3.37Å; Y346-H412 AromaticContact CE2-CE1 4Å; Y346-H412 AromaticContact CE2-NE2 3.42Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.22Å; Y346-H412 AromaticContact CG-NE2 3.76Å; Y346-H412 AromaticContact CZ-CE1 3.45Å; Y346-H412 VanDerWaalsContact CZ-CE1 3.45Å; Y346-H412 AromaticContact CZ-NE2 3.2Å; Y346-H412 PolarHBondContact O-CD2 3.15Å; Y346-H412 PolarHBondContact O-NE2 3.46Å; Y346-H412 PolarHBondContact OH-CE1 3.41Å
347L98.8Very high97.6Very high10 Ų1034.8 Ų34.85%0.05216%0.161CC..Hα-helixtrans-63.9-40.5-179.2-67.4175.3000112.5I288 F315 E319 A323 V343 G344 S349 K350 Y351I288-L347 HydrophobicContact CD1-CB 3.69Å; F315-L347 HydrophobicContact CB-CD1 3.87Å; F315-L347 HydrophobicContact CD2-CD1 4.05Å; F315-L347 HydrophobicContact CG-CD1 4.14Å; E319-L347 HydrophobicContact CG-CD1 4Å; E319-L347 HydrophobicContact CG-CD2 3.99Å; A323-L347 HydrophobicContact CB-CD2 4.27Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.47Å; G344-L347 PolarHBondContact O-N 3.43Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-K350 WeakPolarHBondContact O-CB 3.24Å; L347-K350 PolarHBondContact O-N 3.44Å; L347-Y351 PolarHBondContact O-N 3.3Å
348I98.8Very high98Very high4 Ų433.5 Ų33.52%0.02115%0.153CC..Hα-helixtrans-66.9-37175.4-16653.9000111.7L256 F286 I288 V313 G344 M345 Y346 Y351 I352L256-I348 HydrophobicContact CD2-CG1 4.31Å; L256-I348 HydrophobicContact CD2-CG2 4.22Å; F286-I348 HydrophobicContact CB-CD1 3.96Å; F286-I348 HydrophobicContact CB-CG1 3.95Å; I288-I348 HydrophobicContact CB-CB 3.97Å; I288-I348 HydrophobicContact CB-CD1 4.14Å; I288-I348 HydrophobicContact CB-CG1 4.22Å; I288-I348 HydrophobicContact CD1-CB 3.98Å; I288-I348 HydrophobicContact CG2-CB 3.96Å; I288-I348 HydrophobicContact CG2-CG1 4.44Å; I288-I348 HydrophobicContact CG2-CG2 4.27Å; V313-I348 HydrophobicContact CB-CD1 3.63Å; V313-I348 HydrophobicContact CG1-CD1 4.29Å; V313-I348 HydrophobicContact CG2-CD1 3.22Å; G344-I348 WeakPolarHBondContact O-CG2 3.48Å; G344-I348 PolarHBondContact O-N 2.92Å; M345-I348 VanDerWaalsContact O-CG2 3.28Å; M345-I348 WeakPolarHBondContact O-CG2 3.29Å; Y346-I348 PolarHBondContact O-N 2.86Å; I348-Y351 WeakPolarHBondContact O-CB 3.37Å; I348-Y351 PolarHBondContact O-N 3.36Å; I348-I352 HydrophobicContact CG1-CD1 4.2Å; I348-I352 VanDerWaalsContact O-CG1 3.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.1Å; I348-I352 PolarHBondContact O-N 2.98Å
349S98.9Very high98.1Very high1 Ų133.9 Ų33.91%0.00716%0.156CC..Hα-helixtrans-65-41.3175.3-63.80000111.5M345 Y346 L347 Y351 I352 R353 T408 L414M345-S349 VanDerWaalsContact O-CB 3.28Å; M345-S349 WeakPolarHBondContact O-CB 3.36Å; M345-S349 PolarHBondContact O-N 3.46Å; M345-S349 VanDerWaalsContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 3.17Å; Y346-S349 WeakPolarHBondContact O-CB 3.22Å; Y346-S349 PolarHBondContact O-N 2.89Å; L347-S349 VanDerWaalsContact C-N 3.34Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; S349-Y351 PolarHBondContact O-N 2.76Å; S349-I352 PolarHBondContact O-N 3.21Å; S349-R353 PolarHBondContact O-N 3.06Å; S349-R353 VanDerWaalsContact O-N 3.08Å; S349-T408 WeakPolarHBondContact CB-O 3.27Å; S349-T408 PolarHBondContact OG-O 3.35Å; S349-L414 WeakPolarHBondContact O-CD1 3.34Å
350K98.8Very high98.1Very high97 Ų9733.9 Ų33.942%0.42216%0.156SC..Hα-helixtrans-58.7-43.8172.1-172.3177.4179.6175.50111.5Y346 L347 K354 H412Y346-K350 PolarHBondContact O-N 2.93Å; L347-K350 WeakPolarHBondContact O-CB 3.24Å; L347-K350 PolarHBondContact O-N 3.44Å; K350-K354 VanDerWaalsContact O-CB 3.26Å; K350-K354 WeakPolarHBondContact O-CB 3.46Å; K350-K354 PolarHBondContact O-N 2.82Å; K350-K354 VanDerWaalsContact O-N 3.11Å; K350-H412 PolarHBondContact N-CD2 3.35Å; K350-H412 VanDerWaalsContact N-CD2 3.3Å
351Y98.8Very high98.3Very high68 Ų6833.7 Ų33.727%0.26716%0.155SC..Hα-helixtrans-62.4-49.8176.5-179.1-81.3000111.9Y311 V313 L347 I348 S349 R353 K354 N355Y311-Y351 HydrophobicContact CD1-CE1 4.01Å; Y311-Y351 WeakPolarHBondContact CD1-OH 3.38Å; Y311-Y351 HydrophobicContact CG-CE1 4.37Å; V313-Y351 HydrophobicContact CB-CD2 4.48Å; V313-Y351 HydrophobicContact CG1-CD2 3.94Å; V313-Y351 HydrophobicContact CG1-CG 4.2Å; V313-Y351 HydrophobicContact CG2-CD1 3.58Å; V313-Y351 HydrophobicContact CG2-CD2 3.68Å; V313-Y351 HydrophobicContact CG2-CE1 3.83Å; V313-Y351 HydrophobicContact CG2-CE2 3.91Å; V313-Y351 HydrophobicContact CG2-CG 3.52Å; L347-Y351 PolarHBondContact O-N 3.3Å; I348-Y351 WeakPolarHBondContact O-CB 3.37Å; I348-Y351 PolarHBondContact O-N 3.36Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; S349-Y351 PolarHBondContact O-N 2.76Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.19Å; Y351-K354 PolarHBondContact O-N 3.19Å; Y351-K354 VanDerWaalsContact O-N 3.16Å; Y351-N355 HydrophobicContact CD1-CB 4.38Å; Y351-N355 WeakPolarHBondContact CD2-ND2 3.26Å; Y351-N355 HydrophobicContact CE1-CB 4.02Å; Y351-N355 WeakPolarHBondContact CE2-ND2 3.38Å; Y351-N355 WeakPolarHBondContact O-CB 3.49Å; Y351-N355 PolarHBondContact O-N 2.9Å; Y351-N355 PolarHBondContact O-ND2 2.57Å
352I98.9Very high98.6Very high0 Ų033.3 Ų33.30%015%0.152CC..Hα-helixtrans-56.6-49.8-178.3-70.6162.8000110.2L256 F286 I348 S349 K354 T356 N358 I361 L414L256-I352 HydrophobicContact CD2-CD1 3.87Å; F286-I352 HydrophobicContact CB-CD1 4.04Å; F286-I352 HydrophobicContact CB-CG1 4.28Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.57Å; F286-I352 HydrophobicContact CD2-CD1 3.76Å; F286-I352 HydrophobicContact CD2-CG1 3.83Å; F286-I352 HydrophobicContact CE1-CG1 3.81Å; F286-I352 HydrophobicContact CE2-CD1 4.31Å; F286-I352 HydrophobicContact CE2-CG1 4.04Å; F286-I352 HydrophobicContact CE2-CG2 4.48Å; F286-I352 HydrophobicContact CG-CD1 3.73Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 4.04Å; F286-I352 HydrophobicContact CZ-CG2 4.44Å; I348-I352 HydrophobicContact CG1-CD1 4.2Å; I348-I352 VanDerWaalsContact O-CG1 3.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.1Å; I348-I352 PolarHBondContact O-N 2.98Å; S349-I352 PolarHBondContact O-N 3.21Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.8Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.43Å; I352-N358 HydrophobicContact CG2-CB 4.1Å; I352-I361 HydrophobicContact CD1-CD1 4.29Å; I352-I361 HydrophobicContact CG2-CD1 3.86Å; I352-L414 HydrophobicContact CB-CD1 3.82Å; I352-L414 HydrophobicContact CD1-CD1 4.36Å; I352-L414 HydrophobicContact CG2-CD1 3.71Å; I352-L414 HydrophobicContact CG2-CD2 3.99Å
353R98.5Very high98.6Very high114 Ų11433.7 Ų33.743%0.4316%0.155SC..Hα-helixtrans-62.7-37.4179.417459-175.5-78.92.9112.9S349 Y351 H412 L414S349-R353 PolarHBondContact O-N 3.06Å; S349-R353 VanDerWaalsContact O-N 3.08Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.19Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.36Å; R353-H412 WeakPolarHBondContact CD-O 3.35Å; R353-H412 HydrophobicContact CG-CB 4.47Å; R353-H412 VanDerWaalsContact CG-O 3.23Å; R353-H412 WeakPolarHBondContact CG-O 3.42Å; R353-H412 PolarHBondContact NH1-O 3.16Å; R353-L414 HydrophobicContact CB-CD2 4.34Å
354K98.6Very high98.6Very high172 Ų17234.2 Ų34.275%0.74816%0.16SC*.Hα-helixtrans-76.9-35.7-176.1-177.9176.4177.8-177.20112.5K350 Y351 I352K350-K354 VanDerWaalsContact O-CB 3.26Å; K350-K354 WeakPolarHBondContact O-CB 3.46Å; K350-K354 PolarHBondContact O-N 2.82Å; K350-K354 VanDerWaalsContact O-N 3.11Å; Y351-K354 PolarHBondContact O-N 3.19Å; Y351-K354 VanDerWaalsContact O-N 3.16Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.8Å
355N98.8Very high98.7Very high83 Ų8335.3 Ų35.344%0.44417%0.165SC..Hα-helixtrans-114-9-165.3-57.9-70.9000114.1Y351Y351-N355 HydrophobicContact CD1-CB 4.38Å; Y351-N355 WeakPolarHBondContact CD2-ND2 3.26Å; Y351-N355 HydrophobicContact CE1-CB 4.02Å; Y351-N355 WeakPolarHBondContact CE2-ND2 3.38Å; Y351-N355 WeakPolarHBondContact O-CB 3.49Å; Y351-N355 PolarHBondContact O-N 2.9Å; Y351-N355 PolarHBondContact O-ND2 2.57Å
356T98.7Very high98.7Very high22 Ų2235.2 Ų35.214%0.13517%0.165CC..  trans-137.1169.8-178.679.10000111.5F286 I352 N358F286-T356 HydrophobicContact CE1-CG2 3.79Å; F286-T356 HydrophobicContact CZ-CG2 3.83Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.43Å; T356-N358 WeakPolarHBondContact CB-ND2 3.19Å; T356-N358 PolarHBondContact OG1-N 3.46Å; T356-N358 PolarHBondContact OG1-ND2 3.01Å
357D98.1Very high98.6Very high95 Ų9534.4 Ų34.451%0.50816%0.162SC..  trans-98.98.617265.7-33.3000112.9R252 V359R252-D357 VanDerWaalsContact CD-CG 3.46Å; R252-D357 WeakPolarHBondContact CD-OD1 3.13Å; R252-D357 WeakPolarHBondContact CD-OD2 2.99Å; R252-D357 IonicContact CZ-OD1 3.41Å; R252-D357 IonicContact NE-OD1 3.67Å; R252-D357 IonicContact NH1-OD1 2.71Å; R252-D357 PolarHBondContact NH1-OD1 2.72Å; R252-D357 IonicContact NH1-OD2 3.86Å; D357-V359 PolarHBondContact O-N 3.42Å
358N98.7Very high98.6Very high2 Ų234.8 Ų34.81%0.01116%0.164CC..EExtended strand (participates in β ladder)trans-65.5134171.9-60.3-82.6000110I253 G254 Q284 F286 I352 T356 I361 L414I253-N358 PolarHBondContact O-OD1 2.71Å; G254-N358 WeakPolarHBondContact CA-OD1 3.44Å; G254-N358 PolarHBondContact N-OD1 2.61Å; Q284-N358 PolarHBondContact OE1-ND2 3.03Å; F286-N358 VanDerWaalsContact CZ-ND2 3.35Å; F286-N358 WeakPolarHBondContact CZ-ND2 3.07Å; I352-N358 HydrophobicContact CG2-CB 4.1Å; T356-N358 WeakPolarHBondContact CB-ND2 3.19Å; T356-N358 PolarHBondContact OG1-N 3.46Å; T356-N358 PolarHBondContact OG1-ND2 3.01Å; N358-I361 HydrophobicContact CB-CD1 3.7Å; N358-L414 WeakPolarHBondContact O-CD2 3.4Å
359V98.8Very high98.6Very high11 Ų1134.8 Ų34.87%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-122.6-40.5178.3173.70000110.5L50 V52 R251 R252 D357 E415L50-V359 HydrophobicContact CD1-CG1 3.72Å; L50-V359 HydrophobicContact CD2-CG1 3.6Å; L50-V359 HydrophobicContact CG-CG1 3.86Å; V52-V359 HydrophobicContact CG2-CG1 4.46Å; R251-V359 HydrophobicContact CB-CB 4.04Å; R251-V359 HydrophobicContact CB-CG1 4.47Å; R252-V359 PolarHBondContact O-N 3.19Å; D357-V359 PolarHBondContact O-N 3.42Å; V359-E415 PolarHBondContact O-N 3.4Å
360V98.9Very high98.6Very high0 Ų034.7 Ų34.70%016%0.163CC..EExtended strand (participates in β ladder)trans-92.3117.6176.9177.30000108.8V52 T249 R252 I253 G254 F362 R417V52-V360 HydrophobicContact CG1-CG2 3.67Å; T249-V360 HydrophobicContact CG2-CG2 4.13Å; T249-V360 WeakPolarHBondContact OG1-CG2 3.14Å; R252-V360 PolarHBondContact O-N 3.01Å; R252-V360 VanDerWaalsContact O-N 3.16Å; I253-V360 CarbonylContact C-O 3.59Å; I253-V360 VanDerWaalsContact CA-O 3.31Å; I253-V360 WeakPolarHBondContact CA-O 3.45Å; I253-V360 HydrophobicContact CG1-CB 4.1Å; I253-V360 HydrophobicContact CG1-CG1 4.17Å; G254-V360 PolarHBondContact N-O 2.98Å; V360-F362 HydrophobicContact CG1-CD2 4.27Å; V360-F362 HydrophobicContact CG1-CE2 3.99Å; V360-R417 VanDerWaalsContact CG1-CD 3.44Å; V360-R417 HydrophobicContact CG1-CG 3.91Å
361I98.9Very high98.5Very high1 Ų130.1 Ų30.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-117.4117.7-175.4-53.2-58.5000109.8G254 L256 I352 N358 L414 E415 L416 R417G254-I361 WeakPolarHBondContact O-CA 3.14Å; L256-I361 HydrophobicContact CD1-CG2 4.38Å; L256-I361 HydrophobicContact CD2-CG2 3.86Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; I352-I361 HydrophobicContact CD1-CD1 4.29Å; I352-I361 HydrophobicContact CG2-CD1 3.86Å; N358-I361 HydrophobicContact CB-CD1 3.7Å; I361-L414 HydrophobicContact CG1-CB 4.22Å; I361-L414 HydrophobicContact CG1-CD1 4.18Å; I361-E415 PolarHBondContact N-O 2.8Å; I361-L416 WeakPolarHBondContact O-CA 3.49Å; I361-R417 PolarHBondContact O-N 3.01Å
362F98.9Very high98.5Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-81.6146.3173.2-80.9-114.9000111.2V243 R246 L247 I253 G254 C255 L256 V266 L270 V360 R417 P419V243-F362 HydrophobicContact CG1-CE1 4.19Å; R246-F362 HydrophobicContact CB-CE1 3.7Å; R246-F362 HydrophobicContact CB-CZ 3.55Å; R246-F362 WeakPolarHBondContact O-CZ 3.49Å; L247-F362 HydrophobicContact CD2-CZ 4.36Å; I253-F362 HydrophobicContact CD1-CE2 4.42Å; I253-F362 HydrophobicContact CG2-CD2 3.49Å; I253-F362 VanDerWaalsContact CG2-CD2 3.49Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å; G254-F362 PolarHBondContact O-N 3.44Å; C255-F362 HydrophobicContact CB-CB 4.25Å; L256-F362 PolarHBondContact N-O 2.66Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.11Å; V266-F362 HydrophobicContact CG1-CG 4.48Å; L270-F362 HydrophobicContact CD1-CD1 4.31Å; L270-F362 HydrophobicContact CD1-CD2 4.25Å; L270-F362 HydrophobicContact CD1-CE1 4.02Å; L270-F362 HydrophobicContact CD1-CE2 3.98Å; L270-F362 HydrophobicContact CD1-CG 4.39Å; L270-F362 HydrophobicContact CD1-CZ 3.82Å; L270-F362 HydrophobicContact CD2-CB 3.92Å; L270-F362 HydrophobicContact CD2-CD1 4.27Å; L270-F362 HydrophobicContact CD2-CD2 3.89Å; L270-F362 HydrophobicContact CD2-CE2 4.44Å; L270-F362 HydrophobicContact CD2-CG 3.78Å; V360-F362 HydrophobicContact CG1-CD2 4.27Å; V360-F362 HydrophobicContact CG1-CE2 3.99Å; F362-R417 WeakPolarHBondContact CA-O 3.34Å; F362-R417 HydrophobicContact CD1-CB 4.41Å; F362-R417 HydrophobicContact CD2-CB 4.26Å; F362-R417 HydrophobicContact CE1-CB 4.46Å; F362-R417 HydrophobicContact CE2-CB 4.3Å; F362-R417 HydrophobicContact CG-CB 4.34Å; F362-R417 HydrophobicContact CZ-CB 4.43Å; F362-P419 HydrophobicContact CD1-CG 4.48Å
363S98.7Very high98.4Very high7 Ų726.9 Ų26.95%0.04913%0.13CC..  trans-149.7168.1177-162.40000112.5E365 R417 P419S363-E365 WeakPolarHBondContact CB-OE2 3.36Å; S363-E365 PolarHBondContact OG-OE2 3.06Å; S363-R417 PolarHBondContact N-O 3.38Å; S363-P419 WeakPolarHBondContact O-CD 3.34Å
364G98.3Very high98.2Very high11 Ų1122.8 Ų22.811%0.11312%0.115CC..  trans-96.22.7-172.400000116.3S367G364-S367 PolarHBondContact O-N 3.12Å
365E98.3Very high97.8Very high24 Ų2415.9 Ų15.911%0.1129%0.086CC..THydrogen-bonded Turntrans-56147.4-179.4-78.176.8-172.400112.9S363 S367 D401 R404 A405 V418S363-E365 WeakPolarHBondContact CB-OE2 3.36Å; S363-E365 PolarHBondContact OG-OE2 3.06Å; E365-S367 VanDerWaalsContact C-N 3.32Å; E365-D401 HydrophobicContact CG-CB 4.33Å; E365-R404 IonicContact OE1-CZ 3.29Å; E365-R404 IonicContact OE1-NH1 3.66Å; E365-R404 PolarHBondContact OE1-NH1 3.05Å; E365-R404 IonicContact OE1-NH2 3.54Å; E365-R404 PolarHBondContact OE1-NH2 3.16Å; E365-A405 HydrophobicContact CG-CB 4.1Å; E365-V418 HydrophobicContact CB-CG1 3.99Å
366G98.2Very high97.5Very high0 Ų012.1 Ų12.10%07%0.066CC..THydrogen-bonded Turntrans92.3-17.2-175.600000113.9E369 L370G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 2.98Å; G366-L370 WeakPolarHBondContact O-CB 3.14Å; G366-L370 PolarHBondContact O-N 2.85Å; G366-L370 VanDerWaalsContact O-N 3.09Å
367S98.6Very high97.3Very high1 Ų111.3 Ų11.31%0.0076%0.06CC..Hα-helixtrans-65-48.6179.2-169.60000111.9D262 G364 E365 E369 L370 T371 F420D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 2.86Å; G364-S367 PolarHBondContact O-N 3.12Å; E365-S367 VanDerWaalsContact C-N 3.32Å; S367-E369 VanDerWaalsContact C-N 3.35Å; S367-E369 PolarHBondContact O-N 2.79Å; S367-L370 PolarHBondContact O-N 3.1Å; S367-T371 VanDerWaalsContact O-CB 3.3Å; S367-T371 WeakPolarHBondContact O-CB 3.47Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.87Å; S367-F420 VanDerWaalsContact OG-CE1 3.23Å; S367-F420 WeakPolarHBondContact OG-CE1 3.43Å; S367-F420 WeakPolarHBondContact OG-CZ 3.36Å
368D97.9Very high97.1Very high17 Ų1710.1 Ų10.19%0.0915%0.052CC..Hα-helixtrans-62-42.9-176.8-77.3-58.3000112.1Q372 G373 Y374 K445 K467D368-Q372 PolarHBondContact O-N 3.29Å; D368-G373 PolarHBondContact O-N 2.93Å; D368-G373 WeakPolarHBondContact OD1-CA 3.33Å; D368-Y374 HydrophobicContact CB-CD1 4.18Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.82Å; D368-Y374 HydrophobicContact CB-CE2 3.76Å; D368-Y374 HydrophobicContact CB-CG 4.33Å; D368-K445 VanDerWaalsContact CG-NZ 3.31Å; D368-K445 WeakPolarHBondContact OD1-CE 3.39Å; D368-K445 IonicContact OD1-NZ 3.19Å; D368-K445 PolarHBondContact OD1-NZ 3.06Å; D368-K445 IonicContact OD2-NZ 3.91Å; D368-K467 WeakPolarHBondContact OD1-CE 3.3Å; D368-K467 WeakPolarHBondContact OD2-CE 3.3Å; D368-K467 IonicContact OD2-NZ 2.66Å
369E98.3Very high96.9Very high4 Ų413.4 Ų13.42%0.0197%0.066CC..Hα-helixtrans-65.5-44.3178.9-63.876.1-163.500111.3G366 S367 Y374 S390 L393 L394 L397G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 2.98Å; S367-E369 VanDerWaalsContact C-N 3.35Å; S367-E369 PolarHBondContact O-N 2.79Å; E369-Y374 HydrophobicContact CG-CE2 4.17Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.33Å; E369-Y374 PolarHBondContact OE1-OH 3.31Å; E369-S390 WeakPolarHBondContact O-CB 3.44Å; E369-S390 PolarHBondContact O-OG 2.87Å; E369-L393 HydrophobicContact CB-CB 3.88Å; E369-L393 HydrophobicContact CB-CD1 4.43Å; E369-L393 HydrophobicContact CG-CB 3.63Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; E369-L394 HydrophobicContact CB-CD2 3.85Å; E369-L394 HydrophobicContact CB-CG 4.16Å; E369-L397 VanDerWaalsContact CD-CD2 3.49Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.13Å
370L98.5Very high96.7Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-70.3-38.1-179.4-178.363.8000112.7G366 S367 L394 F425 Y429 L430G366-L370 WeakPolarHBondContact O-CB 3.14Å; G366-L370 PolarHBondContact O-N 2.85Å; G366-L370 VanDerWaalsContact O-N 3.09Å; S367-L370 PolarHBondContact O-N 3.1Å; L370-L394 HydrophobicContact CB-CD2 4.45Å; L370-L394 HydrophobicContact CD1-CD1 4.21Å; L370-F425 HydrophobicContact CD2-CD1 3.88Å; L370-F425 HydrophobicContact CD2-CE1 3.53Å; L370-Y429 HydrophobicContact CD1-CD1 4.2Å; L370-Y429 HydrophobicContact CD1-CG 4.44Å; L370-Y429 HydrophobicContact CD2-CG 4.35Å; L370-Y429 HydrophobicContact CG-CD1 3.94Å; L370-Y429 HydrophobicContact CG-CG 4.12Å; L370-Y429 WeakPolarHBondContact O-CD1 3.47Å; L370-Y429 WeakPolarHBondContact O-CE1 3.38Å; L370-L430 HydrophobicContact CD1-CD1 4.14Å; L370-L430 HydrophobicContact CD1-CD2 3.85Å; L370-L430 HydrophobicContact CD1-CG 3.64Å
371T98.4Very high96.6Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-10712.2-168.567.10000114.2S367 G373 Y429 K445 L448S367-T371 VanDerWaalsContact O-CB 3.3Å; S367-T371 WeakPolarHBondContact O-CB 3.47Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.87Å; T371-G373 VanDerWaalsContact C-N 3.27Å; T371-G373 PolarHBondContact O-N 2.67Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.41Å; T371-Y429 HydrophobicContact CG2-CE1 3.82Å; T371-Y429 HydrophobicContact CG2-CE2 3.82Å; T371-Y429 VanDerWaalsContact CG2-CZ 3.5Å; T371-K445 WeakPolarHBondContact OG1-CD 3.37Å; T371-K445 VanDerWaalsContact OG1-CG 3.31Å; T371-K445 WeakPolarHBondContact OG1-CG 3.41Å; T371-L448 HydrophobicContact CG2-CD2 4.39Å
372Q97.6Very high96.6Very high0 Ų019.7 Ų19.70%011%0.11CC..THydrogen-bonded Turntrans56.943.2180-58.8174.80.400111.8D368 F377 A386D368-Q372 PolarHBondContact O-N 3.29Å; Q372-F377 VanDerWaalsContact C-CD2 3.42Å; Q372-F377 HydrophobicContact CB-CB 4.13Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4.01Å; Q372-F377 HydrophobicContact CB-CE1 3.92Å; Q372-F377 HydrophobicContact CB-CE2 4.29Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.24Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.17Å; Q372-F377 WeakPolarHBondContact O-CB 3.32Å; Q372-A386 VanDerWaalsContact NE2-C 3.26Å; Q372-A386 PolarHBondContact NE2-O 3.14Å
373G96.3Very high96.5Very high0 Ų021.3 Ų21.30%012%0.12CC..  trans-84.4-15.3-168.900000116D368 T371 E444D368-G373 PolarHBondContact O-N 2.93Å; D368-G373 WeakPolarHBondContact OD1-CA 3.33Å; T371-G373 VanDerWaalsContact C-N 3.27Å; T371-G373 PolarHBondContact O-N 2.67Å; G373-E444 WeakPolarHBondContact O-CG 3.31Å
374Y94.1Very high96.5Very high28 Ų2825.3 Ų25.311%0.1114%0.138CC..SBendtrans-71.3141.4176-65.8-58.7000111.4D368 E369 Y376 F377 L393 W537D368-Y374 HydrophobicContact CB-CD1 4.18Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.82Å; D368-Y374 HydrophobicContact CB-CE2 3.76Å; D368-Y374 HydrophobicContact CB-CG 4.33Å; E369-Y374 HydrophobicContact CG-CE2 4.17Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.33Å; E369-Y374 PolarHBondContact OE1-OH 3.31Å; Y374-Y376 AromaticContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.9Å; Y374-Y376 HydrophobicContact CG-CE1 3.9Å; Y374-Y376 PolarHBondContact O-N 3.1Å; Y374-F377 HydrophobicContact CD2-CE2 4.1Å; Y374-F377 WeakPolarHBondContact O-CB 3.39Å; Y374-F377 WeakPolarHBondContact O-CD2 3.12Å; Y374-F377 PolarHBondContact O-N 2.73Å; Y374-L393 HydrophobicContact CD2-CD1 3.93Å; Y374-L393 HydrophobicContact CE2-CD1 4.07Å; Y374-W537 HydrophobicContact CD1-CZ2 4.43Å; Y374-W537 HydrophobicContact CD2-CZ2 4.28Å; Y374-W537 HydrophobicContact CE1-CZ2 4.32Å; Y374-W537 HydrophobicContact CE2-CZ2 4.18Å; Y374-W537 HydrophobicContact CG-CZ2 4.42Å
375I90.6Very high96.5Very high27 Ų2728.5 Ų28.514%0.13815%0.15CC..G310 helixtrans-55.5-28.6-176.5-61.8-56.3000113.4F377 H378 K467 H554 Y555I375-F377 PolarHBondContact O-N 2.91Å; I375-H378 WeakPolarHBondContact O-CB 3.39Å; I375-H378 PolarHBondContact O-CD2 2.96Å; I375-H378 VanDerWaalsContact O-CD2 3.25Å; I375-H378 PolarHBondContact O-N 3.43Å; I375-K467 HydrophobicContact CD1-CB 4.11Å; I375-H554 HydrophobicContact CG2-CB 4.3Å; I375-Y555 HydrophobicContact CG1-CD2 4.32Å; I375-Y555 HydrophobicContact CG1-CE2 3.8Å
376Y92.8Very high96.4Very high5 Ų527.3 Ų27.32%0.0215%0.145CC..G310 helixtrans-69.8-16.317975.6-91.5000113.5Y374 H378 K379 E389 L393 W537 P539 K540 W541Y374-Y376 AromaticContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.9Å; Y374-Y376 HydrophobicContact CG-CE1 3.9Å; Y374-Y376 PolarHBondContact O-N 3.1Å; Y376-H378 PolarHBondContact O-N 3.4Å; Y376-K379 WeakPolarHBondContact O-CB 3.46Å; Y376-K379 PolarHBondContact O-N 3.31Å; Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.02Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.44Å; Y376-W537 HydrophobicContact CE1-CH2 4.45Å; Y376-W537 HydrophobicContact CE1-CZ2 4.35Å; Y376-P539 HydrophobicContact CD1-CB 3.64Å; Y376-P539 HydrophobicContact CD2-CB 4.46Å; Y376-P539 HydrophobicContact CE1-CB 4.24Å; Y376-P539 HydrophobicContact CG-CB 3.76Å; Y376-K540 HydrophobicContact CD2-CB 4.06Å; Y376-K540 WeakPolarHBondContact CD2-O 3.03Å; Y376-K540 HydrophobicContact CE2-CB 3.78Å; Y376-W541 AromaticContact CD2-CE3 3.69Å; Y376-W541 HydrophobicContact CD2-CE3 3.69Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.19Å; Y376-W541 AromaticContact CE2-CZ3 3.86Å; Y376-W541 HydrophobicContact CE2-CZ3 3.86Å
377F95.2Very high96.4Very high4 Ų428.3 Ų28.32%0.01815%0.149CC..G310 helixtrans-63.6-22.8172.2-78.8-78000113.6Q372 Y374 I375 K379 A380 A386 E389 L393 P439 W541Q372-F377 VanDerWaalsContact C-CD2 3.42Å; Q372-F377 HydrophobicContact CB-CB 4.13Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4.01Å; Q372-F377 HydrophobicContact CB-CE1 3.92Å; Q372-F377 HydrophobicContact CB-CE2 4.29Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.24Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.17Å; Q372-F377 WeakPolarHBondContact O-CB 3.32Å; Y374-F377 HydrophobicContact CD2-CE2 4.1Å; Y374-F377 WeakPolarHBondContact O-CB 3.39Å; Y374-F377 WeakPolarHBondContact O-CD2 3.12Å; Y374-F377 PolarHBondContact O-N 2.73Å; I375-F377 PolarHBondContact O-N 2.91Å; F377-K379 PolarHBondContact O-N 2.85Å; F377-K379 VanDerWaalsContact O-N 3.1Å; F377-A380 WeakPolarHBondContact O-CB 3.36Å; F377-A380 PolarHBondContact O-N 2.93Å; F377-A380 VanDerWaalsContact O-N 3.1Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.39Å; F377-A386 WeakPolarHBondContact CE1-O 3.42Å; F377-E389 HydrophobicContact CE1-CB 3.94Å; F377-E389 HydrophobicContact CE1-CG 3.73Å; F377-E389 HydrophobicContact CZ-CB 4.3Å; F377-E389 HydrophobicContact CZ-CG 3.7Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.7Å; F377-P439 HydrophobicContact CB-CG 4.23Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CE1-CH2 4.27Å; F377-W541 HydrophobicContact CE1-CZ3 4.43Å
378H93.3Very high96.3Very high71 Ų7134 Ų3433%0.32918%0.176SC..G310 helixtrans-62.6-14.9169.8-67.7-71000113.5I375 Y376 P439 E444I375-H378 WeakPolarHBondContact O-CB 3.39Å; I375-H378 PolarHBondContact O-CD2 2.96Å; I375-H378 VanDerWaalsContact O-CD2 3.25Å; I375-H378 PolarHBondContact O-N 3.43Å; Y376-H378 PolarHBondContact O-N 3.4Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.41Å; H378-P439 WeakPolarHBondContact ND1-CB 3.4Å; H378-E444 IonicContact NE2-OE2 2.71Å
379K93.8Very high96.3Very high71 Ų7133.2 Ų33.231%0.30917%0.172SC..G310 helixtrans-107.59.8178.3-60.2-175.2178.3-172.50113.1Y376 F377 P381 W541 I542Y376-K379 WeakPolarHBondContact O-CB 3.46Å; Y376-K379 PolarHBondContact O-N 3.31Å; F377-K379 PolarHBondContact O-N 2.85Å; F377-K379 VanDerWaalsContact O-N 3.1Å; K379-P381 WeakPolarHBondContact O-CD 3.45Å; K379-W541 HydrophobicContact CB-CB 4.3Å; K379-I542 HydrophobicContact CD-CD1 3.91Å; K379-I542 HydrophobicContact CD-CG1 3.68Å
380A96Very high96.3Very high25 Ų2533 Ų3321%0.20717%0.171CC..  trans-58.7129.5173.900000109.9F377 S382 A386 W541F377-A380 WeakPolarHBondContact O-CB 3.36Å; F377-A380 PolarHBondContact O-N 2.93Å; F377-A380 VanDerWaalsContact O-N 3.1Å; A380-S382 VanDerWaalsContact C-N 3.3Å; A380-S382 PolarHBondContact O-N 2.97Å; A380-A386 HydrophobicContact CB-CB 3.74Å; A380-W541 HydrophobicContact CB-CE3 4.05Å; A380-W541 HydrophobicContact CB-CH2 3.52Å; A380-W541 HydrophobicContact CB-CZ2 4.02Å; A380-W541 HydrophobicContact CB-CZ3 3.54Å
381P96.8Very high96.2Very high83 Ų8334.5 Ų34.554%0.53918%0.178SC..SBendtrans-65.9-31.2-179.9-26.236.9000113.6K379 E385 W541K379-P381 WeakPolarHBondContact O-CD 3.45Å; P381-E385 WeakPolarHBondContact CB-OE1 3.43Å; P381-E385 VanDerWaalsContact CD-OE2 3.28Å; P381-E385 WeakPolarHBondContact CD-OE2 3.47Å; P381-E385 VanDerWaalsContact CG-OE2 3.22Å; P381-E385 WeakPolarHBondContact CG-OE2 3.41Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.48Å
382S97.7Very high96.2Very high35 Ų3536.9 Ų36.925%0.24519%0.187CC..SBendtrans-150.2164.4175.487.20000111.9A380 E384 E385 A386A380-S382 VanDerWaalsContact C-N 3.3Å; A380-S382 PolarHBondContact O-N 2.97Å; S382-E384 VanDerWaalsContact C-N 3.27Å; S382-E384 VanDerWaalsContact CB-OE2 3.23Å; S382-E384 WeakPolarHBondContact CB-OE2 3.29Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.82Å; S382-E384 PolarHBondContact OG-OE2 3.32Å; S382-E385 PolarHBondContact O-N 3.39Å; S382-E385 PolarHBondContact OG-N 2.91Å; S382-A386 PolarHBondContact O-N 3.04Å
383P97.8Very high96.2Very high34 Ų3437 Ų3722%0.22119%0.188CC..Hα-helixtrans-56.3-36.6171.9-25.636000113.9A386 E387 P434 E435 T438P383-A386 WeakPolarHBondContact O-CB 3.34Å; P383-A386 PolarHBondContact O-N 3.45Å; P383-E387 WeakPolarHBondContact O-CB 3.49Å; P383-E387 PolarHBondContact O-N 3.35Å; P383-P434 HydrophobicContact CB-CB 3.56Å; P383-E435 HydrophobicContact CB-CG 4.25Å; P383-E435 HydrophobicContact CG-CG 3.98Å; P383-T438 HydrophobicContact CB-CG2 3.89Å; P383-T438 HydrophobicContact CG-CG2 4.14Å
384E97.7Very high96.3Very high91 Ų9137.2 Ų37.243%0.42519%0.188SC..Hα-helixtrans-67.9-44.2178.2-58.473.1-159.600111.2S382 A386 E387 E388S382-E384 VanDerWaalsContact C-N 3.27Å; S382-E384 VanDerWaalsContact CB-OE2 3.23Å; S382-E384 WeakPolarHBondContact CB-OE2 3.29Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.82Å; S382-E384 PolarHBondContact OG-OE2 3.32Å; E384-A386 VanDerWaalsContact C-N 3.27Å; E384-A386 PolarHBondContact O-N 3.02Å; E384-E387 WeakPolarHBondContact O-CB 3.33Å; E384-E387 PolarHBondContact O-N 2.85Å; E384-E387 VanDerWaalsContact O-N 3.14Å; E384-E388 PolarHBondContact O-N 2.89Å
385E97.9Very high96.5Very high78 Ų7842.3 Ų42.336%0.36421%0.207SC..Hα-helixtrans-63.5-35.6174.5-75.7-163.9-138.300111.9P381 S382 E389 W541P381-E385 WeakPolarHBondContact CB-OE1 3.43Å; P381-E385 VanDerWaalsContact CD-OE2 3.28Å; P381-E385 WeakPolarHBondContact CD-OE2 3.47Å; P381-E385 VanDerWaalsContact CG-OE2 3.22Å; P381-E385 WeakPolarHBondContact CG-OE2 3.41Å; S382-E385 PolarHBondContact O-N 3.39Å; S382-E385 PolarHBondContact OG-N 2.91Å; E385-E389 VanDerWaalsContact O-CB 3.31Å; E385-E389 WeakPolarHBondContact O-CB 3.42Å; E385-E389 PolarHBondContact O-N 3.23Å; E385-E389 VanDerWaalsContact O-N 3.08Å; E385-W541 HydrophobicContact CB-CZ2 3.99Å; E385-W541 PolarHBondContact OE2-NE1 3.06Å
386A97.6Very high96.8Very high0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-66.4-37.6173.200000112.3Q372 F377 A380 S382 P383 E384 S390Q372-A386 VanDerWaalsContact NE2-C 3.26Å; Q372-A386 PolarHBondContact NE2-O 3.14Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.39Å; F377-A386 WeakPolarHBondContact CE1-O 3.42Å; A380-A386 HydrophobicContact CB-CB 3.74Å; S382-A386 PolarHBondContact O-N 3.04Å; P383-A386 WeakPolarHBondContact O-CB 3.34Å; P383-A386 PolarHBondContact O-N 3.45Å; E384-A386 VanDerWaalsContact C-N 3.27Å; E384-A386 PolarHBondContact O-N 3.02Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.7Å
387E97.2Very high97.1Very high20 Ų2042.3 Ų42.39%0.09321%0.207CC..Hα-helixtrans-66.7-49.1175.2173.1176.8-115.400112R208 P383 E384 E389 S390 E391 R437R208-E387 IonicContact CZ-OE1 3.47Å; R208-E387 VanDerWaalsContact CZ-OE1 3.23Å; R208-E387 IonicContact CZ-OE2 3.47Å; R208-E387 IonicContact NH1-OE1 3.9Å; R208-E387 PolarHBondContact NH1-OE1 3.25Å; R208-E387 IonicContact NH1-OE2 2.75Å; R208-E387 PolarHBondContact NH1-OE2 3.3Å; R208-E387 VanDerWaalsContact NH1-OE2 3.16Å; R208-E387 IonicContact NH2-OE1 3.27Å; R208-E387 PolarHBondContact NH2-OE1 3.2Å; R208-E387 IonicContact NH2-OE2 3.49Å; R208-E387 PolarHBondContact NH2-OE2 2.97Å; P383-E387 WeakPolarHBondContact O-CB 3.49Å; P383-E387 PolarHBondContact O-N 3.35Å; E384-E387 WeakPolarHBondContact O-CB 3.33Å; E384-E387 PolarHBondContact O-N 2.85Å; E384-E387 VanDerWaalsContact O-N 3.14Å; E387-E389 PolarHBondContact O-N 3.18Å; E387-S390 WeakPolarHBondContact O-CB 3.36Å; E387-S390 PolarHBondContact O-N 3.31Å; E387-S390 VanDerWaalsContact O-N 3.16Å; E387-E391 PolarHBondContact O-N 3.46Å; E387-R437 IonicContact OE1-CZ 2.99Å; E387-R437 IonicContact OE1-NH2 2.71Å; E387-R437 PolarHBondContact OE1-NH2 2.87Å
388E97.4Very high97.2Very high122 Ų12243.9 Ų43.957%0.5721%0.213SC*.Hα-helixtrans-58.5-38.7176.6-75.9-173.9-177.900112E384 R392E384-E388 PolarHBondContact O-N 2.89Å; E388-R392 WeakPolarHBondContact O-CB 3.39Å; E388-R392 PolarHBondContact O-N 3.21Å
389E97.8Very high97.5Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-67.7-43.6176.2178.361.6-177.100112.3Y376 F377 E385 E387 E391 R392 L393 K540 W541Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.02Å; F377-E389 HydrophobicContact CE1-CB 3.94Å; F377-E389 HydrophobicContact CE1-CG 3.73Å; F377-E389 HydrophobicContact CZ-CB 4.3Å; F377-E389 HydrophobicContact CZ-CG 3.7Å; E385-E389 VanDerWaalsContact O-CB 3.31Å; E385-E389 WeakPolarHBondContact O-CB 3.42Å; E385-E389 PolarHBondContact O-N 3.23Å; E385-E389 VanDerWaalsContact O-N 3.08Å; E387-E389 PolarHBondContact O-N 3.18Å; E389-E391 VanDerWaalsContact C-N 3.31Å; E389-E391 PolarHBondContact O-N 3.03Å; E389-R392 WeakPolarHBondContact O-CB 3.35Å; E389-R392 PolarHBondContact O-N 2.83Å; E389-R392 IonicContact OE1-CZ 2.71Å; E389-R392 IonicContact OE1-NE 3.46Å; E389-R392 IonicContact OE1-NH2 3.13Å; E389-R392 PolarHBondContact OE1-NH2 3.03Å; E389-R392 IonicContact OE2-CZ 2.64Å; E389-R392 IonicContact OE2-NE 3.53Å; E389-R392 PolarHBondContact OE2-NE 3.28Å; E389-R392 IonicContact OE2-NH2 3.59Å; E389-L393 HydrophobicContact CG-CD1 4.49Å; E389-L393 VanDerWaalsContact O-CG 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.45Å; E389-L393 PolarHBondContact O-N 3.35Å; E389-K540 HydrophobicContact CG-CD 4.41Å; E389-K540 WeakPolarHBondContact OE2-CD 3.27Å; E389-K540 WeakPolarHBondContact OE2-CE 3.44Å; E389-K540 IonicContact OE2-NZ 3.8Å; E389-K540 PolarHBondContact OE2-NZ 3.41Å; E389-W541 HydrophobicContact CB-CH2 3.82Å; E389-W541 HydrophobicContact CB-CZ2 4.17Å; E389-W541 HydrophobicContact CG-CH2 3.99Å
390S98Very high97.7Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-55.4-46.4173.6172.60000111.3E369 A386 E387 R392 L393 L394E369-S390 WeakPolarHBondContact O-CB 3.44Å; E369-S390 PolarHBondContact O-OG 2.87Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.7Å; E387-S390 WeakPolarHBondContact O-CB 3.36Å; E387-S390 PolarHBondContact O-N 3.31Å; E387-S390 VanDerWaalsContact O-N 3.16Å; S390-R392 PolarHBondContact O-N 2.91Å; S390-L393 PolarHBondContact O-N 2.63Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.38Å; S390-L394 PolarHBondContact O-N 3.22Å
391E97.3Very high97.8Very high31 Ų3137.6 Ų37.615%0.14518%0.181CC..Hα-helixtrans-64.9-40.4176.1-67.7-178.8-161.500113.6R208 E387 E389 L393 L394 R395R208-E391 IonicContact CZ-OE1 3.57Å; R208-E391 IonicContact NE-OE1 3.07Å; R208-E391 PolarHBondContact NE-OE1 3.36Å; R208-E391 IonicContact NH2-OE1 2.87Å; R208-E391 PolarHBondContact NH2-OE1 3.26Å; E387-E391 PolarHBondContact O-N 3.46Å; E389-E391 VanDerWaalsContact C-N 3.31Å; E389-E391 PolarHBondContact O-N 3.03Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 2.99Å; E391-L394 PolarHBondContact O-N 3.08Å; E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-N 2.91Å; E391-R395 IonicContact OE2-NH1 3.93Å; E391-R395 PolarHBondContact OE2-NH1 3.01Å
392R97.4Very high97.9Very high49 Ų4933.7 Ų33.719%0.18516%0.156CC..Hα-helixtrans-58.9-47.1177-174-168.270.377.74.3110E388 E389 S390 R395 E396E388-R392 WeakPolarHBondContact O-CB 3.39Å; E388-R392 PolarHBondContact O-N 3.21Å; E389-R392 WeakPolarHBondContact O-CB 3.35Å; E389-R392 PolarHBondContact O-N 2.83Å; E389-R392 IonicContact OE1-CZ 2.71Å; E389-R392 IonicContact OE1-NE 3.46Å; E389-R392 IonicContact OE1-NH2 3.13Å; E389-R392 PolarHBondContact OE1-NH2 3.03Å; E389-R392 IonicContact OE2-CZ 2.64Å; E389-R392 IonicContact OE2-NE 3.53Å; E389-R392 PolarHBondContact OE2-NE 3.28Å; E389-R392 IonicContact OE2-NH2 3.59Å; S390-R392 PolarHBondContact O-N 2.91Å; R392-R395 PolarHBondContact O-N 3.41Å; R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.32Å; R392-E396 IonicContact CZ-OE1 3.8Å; R392-E396 IonicContact CZ-OE2 3.05Å; R392-E396 IonicContact NH1-OE1 3.64Å; R392-E396 PolarHBondContact NH1-OE1 2.96Å; R392-E396 IonicContact NH1-OE2 2.76Å; R392-E396 PolarHBondContact NH1-OE2 3.16Å; R392-E396 WeakPolarHBondContact O-CB 3.43Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 3.49Å
393L97.8Very high97.9Very high4 Ų432.6 Ų32.62%0.02115%0.148CC..Hα-helixtrans-60.7-45.4176.2-65.4172.5000111.8E369 Y374 Y376 F377 E389 S390 E391 R395 E396 L397E369-L393 HydrophobicContact CB-CB 3.88Å; E369-L393 HydrophobicContact CB-CD1 4.43Å; E369-L393 HydrophobicContact CG-CB 3.63Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; Y374-L393 HydrophobicContact CD2-CD1 3.93Å; Y374-L393 HydrophobicContact CE2-CD1 4.07Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.44Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.7Å; E389-L393 HydrophobicContact CG-CD1 4.49Å; E389-L393 VanDerWaalsContact O-CG 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.45Å; E389-L393 PolarHBondContact O-N 3.35Å; S390-L393 PolarHBondContact O-N 2.63Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 2.99Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.36Å; L393-E396 CarbonylContact O-C 3.56Å; L393-E396 PolarHBondContact O-N 3.35Å; L393-L397 PolarHBondContact O-N 2.99Å
394L98.2Very high98Very high3 Ų331.6 Ų31.62%0.01614%0.14CC..Hα-helixtrans-60-37.8177-72.2172.1000112.5Y140 E369 L370 S390 E391 E396 L397 L421 L430Y140-L394 HydrophobicContact CD1-CB 4.38Å; Y140-L394 HydrophobicContact CD1-CD2 4.41Å; Y140-L394 HydrophobicContact CE1-CB 4.19Å; Y140-L394 HydrophobicContact CE1-CD1 4.44Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; E369-L394 HydrophobicContact CB-CD2 3.85Å; E369-L394 HydrophobicContact CB-CG 4.16Å; L370-L394 HydrophobicContact CB-CD2 4.45Å; L370-L394 HydrophobicContact CD1-CD1 4.21Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.38Å; S390-L394 PolarHBondContact O-N 3.22Å; E391-L394 PolarHBondContact O-N 3.08Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-L397 HydrophobicContact CD2-CD1 3.79Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L394-L430 HydrophobicContact CD1-CD1 3.79Å; L394-L430 HydrophobicContact CD1-CD2 3.98Å; L394-L430 HydrophobicContact CD1-CG 4.4Å
395R97.6Very high98Very high135 Ų13527.3 Ų27.351%0.50912%0.119SC..Hα-helixtrans-68.2-29.1174.2-73.4-171.6-64.2-92.92.3112.9E391 R392 L393 Y398E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-N 2.91Å; E391-R395 IonicContact OE2-NH1 3.93Å; E391-R395 PolarHBondContact OE2-NH1 3.01Å; R392-R395 PolarHBondContact O-N 3.41Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.36Å; R395-Y398 VanDerWaalsContact O-CD1 3.22Å; R395-Y398 WeakPolarHBondContact O-CD1 3.48Å; R395-Y398 WeakPolarHBondContact O-CE1 3.45Å
396E97.9Very high98Very high30 Ų3023.6 Ų23.614%0.1410%0.102CC..Hα-helixtrans-98.5-5.3-175.9-69.3176.1-162.600113.9R392 L393 L394 Y398 L399 F400 H535R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.32Å; R392-E396 IonicContact CZ-OE1 3.8Å; R392-E396 IonicContact CZ-OE2 3.05Å; R392-E396 IonicContact NH1-OE1 3.64Å; R392-E396 PolarHBondContact NH1-OE1 2.96Å; R392-E396 IonicContact NH1-OE2 2.76Å; R392-E396 PolarHBondContact NH1-OE2 3.16Å; R392-E396 WeakPolarHBondContact O-CB 3.43Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 3.49Å; L393-E396 CarbonylContact O-C 3.56Å; L393-E396 PolarHBondContact O-N 3.35Å; L394-E396 VanDerWaalsContact C-N 3.3Å; E396-Y398 PolarHBondContact O-N 2.89Å; E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 3.03Å; E396-F400 HydrophobicContact CB-CD2 4.12Å; E396-F400 HydrophobicContact CB-CE2 3.97Å; E396-F400 WeakPolarHBondContact O-CD2 3.34Å; E396-H535 VanDerWaalsContact CD-CE1 3.45Å; E396-H535 IonicContact OE1-CE1 2.94Å; E396-H535 PolarHBondContact OE1-CE1 3.29Å; E396-H535 IonicContact OE1-NE2 3.57Å; E396-H535 PolarHBondContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CD2 3.9Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.78Å; E396-H535 IonicContact OE2-NE2 2.73Å; E396-H535 PolarHBondContact OE2-NE2 3.35Å
397L98.3Very high98.1Very high2 Ų223.8 Ų23.81%0.0110%0.103CC..G310 helixtrans-45.9-40.5178.7-89.1174.9000112.7E369 L393 L394 L399 F400 D401 V402 L421E369-L397 VanDerWaalsContact CD-CD2 3.49Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.13Å; L393-L397 PolarHBondContact O-N 2.99Å; L394-L397 HydrophobicContact CD2-CD1 3.79Å; L397-L399 PolarHBondContact O-N 2.95Å; L397-L399 VanDerWaalsContact O-N 3.14Å; L397-F400 CarbonylContact O-C 3.53Å; L397-F400 PolarHBondContact O-N 3.49Å; L397-D401 HydrophobicContact CD2-CB 3.96Å; L397-D401 PolarHBondContact O-N 3.14Å; L397-V402 HydrophobicContact CB-CB 4.17Å; L397-V402 HydrophobicContact CB-CG2 3.88Å; L397-V402 HydrophobicContact CD1-CG2 4.32Å; L397-V402 HydrophobicContact CD2-CG2 4.19Å; L397-V402 HydrophobicContact CG-CG2 4.38Å; L397-V402 WeakPolarHBondContact O-CB 3.45Å; L397-V402 PolarHBondContact O-N 3.24Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.65Å; L397-L421 HydrophobicContact CD1-CG 4.44Å
398Y98.6Very high98.2Very high38 Ų3822.9 Ų22.915%0.14910%0.098CC..G310 helixtrans-64.5-12.7-17985.6-80.7000115.1P179 P182 R395 E396 L403P179-Y398 HydrophobicContact CB-CE2 3.99Å; P182-Y398 HydrophobicContact CG-CD1 3.49Å; P182-Y398 VanDerWaalsContact CG-CD1 3.49Å; P182-Y398 HydrophobicContact CG-CD2 4.09Å; P182-Y398 HydrophobicContact CG-CE1 4.1Å; P182-Y398 HydrophobicContact CG-CG 3.47Å; P182-Y398 VanDerWaalsContact CG-CG 3.47Å; R395-Y398 VanDerWaalsContact O-CD1 3.22Å; R395-Y398 WeakPolarHBondContact O-CD1 3.48Å; R395-Y398 WeakPolarHBondContact O-CE1 3.45Å; E396-Y398 PolarHBondContact O-N 2.89Å; Y398-L403 WeakPolarHBondContact O-CB 3.28Å
399L98.6Very high98.3Very high8 Ų817 Ų174%0.0427%0.071CC..G310 helixtrans-95.8-21.3173.9-62.9173.2000112.4E396 L397E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 3.03Å; L397-L399 PolarHBondContact O-N 2.95Å; L397-L399 VanDerWaalsContact O-N 3.14Å
400F98.3Very high98.3Very high4 Ų417 Ų172%0.0187%0.071CC..THydrogen-bonded Turntrans-124.3-104.9-168.9-55-60.7000111.5D335 E396 L397 V402 L403 R404 L533 H535 W537D335-F400 HydrophobicContact CB-CD1 4.46Å; D335-F400 HydrophobicContact CB-CE1 4.35Å; E396-F400 HydrophobicContact CB-CD2 4.12Å; E396-F400 HydrophobicContact CB-CE2 3.97Å; E396-F400 WeakPolarHBondContact O-CD2 3.34Å; L397-F400 CarbonylContact O-C 3.53Å; L397-F400 PolarHBondContact O-N 3.49Å; F400-V402 PolarHBondContact O-N 3.31Å; F400-L403 WeakPolarHBondContact O-CA 3.26Å; F400-L403 WeakPolarHBondContact O-CB 3.45Å; F400-L403 PolarHBondContact O-N 3.36Å; F400-L403 VanDerWaalsContact O-N 3.1Å; F400-R404 PolarHBondContact O-N 3.06Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.38Å; F400-H535 AromaticContact CE2-NE2 3.75Å; F400-H535 AromaticContact CZ-CD2 3.73Å; F400-H535 AromaticContact CZ-NE2 3.69Å; F400-W537 HydrophobicContact CD1-CB 3.76Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.72Å; F400-W537 HydrophobicContact CE1-CB 3.59Å; F400-W537 HydrophobicContact CE1-CG 4.49Å; F400-W537 HydrophobicContact CE2-CB 4.42Å; F400-W537 HydrophobicContact CG-CB 4.26Å; F400-W537 AromaticContact CG-CD1 3.81Å; F400-W537 HydrophobicContact CG-CG 4.43Å; F400-W537 HydrophobicContact CZ-CB 3.94Å
401D97.9Very high98.3Very high22 Ų2217.7 Ų17.712%0.1188%0.076CC..Hα-helixtrans-62.5-40.8-170.6-68.7-92.2000114E365 L397 R404 A405E365-D401 HydrophobicContact CG-CB 4.33Å; L397-D401 HydrophobicContact CD2-CB 3.96Å; L397-D401 PolarHBondContact O-N 3.14Å; D401-R404 PolarHBondContact O-N 2.9Å; D401-R404 IonicContact OD1-CZ 3.83Å; D401-R404 IonicContact OD1-NE 2.8Å; D401-R404 IonicContact OD1-NH2 3.93Å; D401-R404 PolarHBondContact OD1-NH2 3.1Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.28Å; D401-A405 PolarHBondContact O-N 3.1Å
402V98.3Very high98.4Very high2 Ų217.4 Ų17.41%0.0128%0.075CC..Hα-helixtrans-71.8-33.7175.7160.70000111.2G141 V142 L397 F400 A405 D406 L421G141-V402 WeakPolarHBondContact O-CG1 3.31Å; V142-V402 VanDerWaalsContact CA-CG1 3.46Å; V142-V402 HydrophobicContact CB-CG1 4.49Å; L397-V402 HydrophobicContact CB-CB 4.17Å; L397-V402 HydrophobicContact CB-CG2 3.88Å; L397-V402 HydrophobicContact CD1-CG2 4.32Å; L397-V402 HydrophobicContact CD2-CG2 4.19Å; L397-V402 HydrophobicContact CG-CG2 4.38Å; L397-V402 WeakPolarHBondContact O-CB 3.45Å; L397-V402 PolarHBondContact O-N 3.24Å; F400-V402 PolarHBondContact O-N 3.31Å; V402-A405 PolarHBondContact O-N 2.61Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 2.72Å; V402-L421 HydrophobicContact CG2-CD1 3.77Å
403L98.8Very high98.5Very high12 Ų1215.1 Ų15.16%0.0637%0.067CC..Hα-helixtrans-61.3-52.1171.8179.5153.5000110.4L331 T333 T338 Y398 F400 A405 D406 R407L331-L403 HydrophobicContact CB-CD2 4Å; L331-L403 HydrophobicContact CD2-CD2 3.6Å; L331-L403 HydrophobicContact CG-CD2 4.4Å; L331-L403 WeakPolarHBondContact O-CD2 3.43Å; T333-L403 HydrophobicContact CG2-CD2 3.99Å; T338-L403 HydrophobicContact CG2-CD2 4.04Å; Y398-L403 WeakPolarHBondContact O-CB 3.28Å; F400-L403 WeakPolarHBondContact O-CA 3.26Å; F400-L403 WeakPolarHBondContact O-CB 3.45Å; F400-L403 PolarHBondContact O-N 3.36Å; F400-L403 VanDerWaalsContact O-N 3.1Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.16Å; L403-D406 PolarHBondContact O-N 2.82Å; L403-R407 HydrophobicContact CD2-CG 4.28Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.37Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.37Å; L403-R407 PolarHBondContact O-N 3.39Å
404R98.7Very high98.5Very high13 Ų1314.9 Ų14.95%0.0497%0.066CC..Hα-helixtrans-52.9-53.8175.5166.1172.363.369.22.3110.8L331 T338 S342 M345 E365 F400 D401 D406 R407 T408L331-R404 HydrophobicContact CD2-CB 4.43Å; T338-R404 HydrophobicContact CG2-CB 4.21Å; S342-R404 WeakPolarHBondContact OG-CD 3.22Å; S342-R404 WeakPolarHBondContact OG-CG 3.17Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.68Å; E365-R404 IonicContact OE1-CZ 3.29Å; E365-R404 IonicContact OE1-NH1 3.66Å; E365-R404 PolarHBondContact OE1-NH1 3.05Å; E365-R404 IonicContact OE1-NH2 3.54Å; E365-R404 PolarHBondContact OE1-NH2 3.16Å; F400-R404 PolarHBondContact O-N 3.06Å; D401-R404 PolarHBondContact O-N 2.9Å; D401-R404 IonicContact OD1-CZ 3.83Å; D401-R404 IonicContact OD1-NE 2.8Å; D401-R404 IonicContact OD1-NH2 3.93Å; D401-R404 PolarHBondContact OD1-NH2 3.1Å; R404-D406 PolarHBondContact O-N 3.39Å; R404-R407 PolarHBondContact O-N 3.43Å; R404-T408 HydrophobicContact CG-CG2 4.48Å; R404-T408 WeakPolarHBondContact O-CB 3.37Å; R404-T408 VanDerWaalsContact O-CG2 3.32Å; R404-T408 WeakPolarHBondContact O-CG2 3.43Å; R404-T408 PolarHBondContact O-N 3.3Å; R404-T408 PolarHBondContact O-OG1 3.21Å
405A98.5Very high98.6Very high0 Ų014.9 Ų14.90%07%0.066CC..Hα-helixtrans-64.1-41.9-172.900000112M345 E365 D401 V402 L403 T409 L416M345-A405 HydrophobicContact CE-CB 3.67Å; M345-A405 HydrophobicContact SD-CB 4.18Å; E365-A405 HydrophobicContact CG-CB 4.1Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.28Å; D401-A405 PolarHBondContact O-N 3.1Å; V402-A405 PolarHBondContact O-N 2.61Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.16Å; A405-T409 WeakPolarHBondContact O-CB 3.34Å; A405-T409 WeakPolarHBondContact O-CG2 3.46Å; A405-T409 PolarHBondContact O-OG1 3.41Å; A405-L416 HydrophobicContact CB-CD1 4.18Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.4Å
406D98.9Very high98.6Very high0 Ų08.5 Ų8.50%04%0.041CC..Hα-helixtrans-67.8-54.7175172.1-80.7000111.9M1 R27 P144 V402 L403 R404 T408 T409 A410M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.93Å; M1-D406 WeakPolarHBondContact CE-O 3.26Å; M1-D406 WeakPolarHBondContact CE-OD2 3Å; R27-D406 IonicContact CZ-OD1 3.91Å; R27-D406 IonicContact CZ-OD2 3.53Å; R27-D406 IonicContact NH1-OD1 3.21Å; R27-D406 PolarHBondContact NH1-OD1 3.22Å; R27-D406 IonicContact NH1-OD2 3.56Å; R27-D406 IonicContact NH2-OD1 3.64Å; R27-D406 PolarHBondContact NH2-OD1 3.37Å; R27-D406 IonicContact NH2-OD2 3.21Å; R27-D406 PolarHBondContact NH2-OD2 3.27Å; P144-D406 WeakPolarHBondContact CD-OD2 3.28Å; P144-D406 WeakPolarHBondContact CG-OD1 3.22Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 2.72Å; L403-D406 PolarHBondContact O-N 2.82Å; R404-D406 PolarHBondContact O-N 3.39Å; D406-T408 PolarHBondContact O-N 3.3Å; D406-T409 PolarHBondContact O-N 2.65Å; D406-T409 PolarHBondContact O-OG1 3.35Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 3.32Å
407R98.9Very high98.7Very high5 Ų57.1 Ų7.12%0.0194%0.035CC..Hα-helixtrans-65.3-40.6-170-64.3-58.3179.2-64.6-16.7112.4P144 L331 E332 L403 R404 A411P144-R407 VanDerWaalsContact CG-NH1 3.29Å; L331-R407 HydrophobicContact CD2-CB 4.19Å; E332-R407 IonicContact OE2-NE 2.79Å; L403-R407 HydrophobicContact CD2-CG 4.28Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.37Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.37Å; L403-R407 PolarHBondContact O-N 3.39Å; R404-R407 PolarHBondContact O-N 3.43Å; R407-A411 VanDerWaalsContact O-CB 3.26Å; R407-A411 WeakPolarHBondContact O-CB 3.22Å; R407-A411 PolarHBondContact O-N 3.2Å
408T98.9Very high98.7Very high0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-73.5-35.2-177.158.50000112.8L331 M345 S349 R404 D406L331-T408 HydrophobicContact CD2-CG2 4.14Å; M345-T408 HydrophobicContact CB-CG2 4.4Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.37Å; M345-T408 PolarHBondContact SD-OG1 3.37Å; M345-T408 VanDerWaalsContact SD-OG1 3.4Å; S349-T408 WeakPolarHBondContact CB-O 3.27Å; S349-T408 PolarHBondContact OG-O 3.35Å; R404-T408 HydrophobicContact CG-CG2 4.48Å; R404-T408 WeakPolarHBondContact O-CB 3.37Å; R404-T408 VanDerWaalsContact O-CG2 3.32Å; R404-T408 WeakPolarHBondContact O-CG2 3.43Å; R404-T408 PolarHBondContact O-N 3.3Å; R404-T408 PolarHBondContact O-OG1 3.21Å; D406-T408 PolarHBondContact O-N 3.3Å
409T98.9Very high98.7Very high0 Ų05.3 Ų5.30%03%0.028CC..Hα-helixtrans-75.4-42.7174.2570000111.5M1 M345 A405 D406 A411 H412 L414M1-T409 WeakPolarHBondContact CE-OG1 3.45Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; A405-T409 WeakPolarHBondContact O-CB 3.34Å; A405-T409 WeakPolarHBondContact O-CG2 3.46Å; A405-T409 PolarHBondContact O-OG1 3.41Å; D406-T409 PolarHBondContact O-N 2.65Å; D406-T409 PolarHBondContact O-OG1 3.35Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.29Å; T409-H412 PolarHBondContact O-N 3.23Å; T409-H412 VanDerWaalsContact O-N 3.17Å; T409-L414 WeakPolarHBondContact O-CB 3.48Å; T409-L414 PolarHBondContact O-N 3.43Å; T409-L414 VanDerWaalsContact O-N 3.11Å
410A98.8Very high98.7Very high0 Ų04.9 Ų4.90%03%0.026CC..Hα-helixtrans-67.6-28.8178.400000113M1 H26 R27 D406 H412 G413M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.77Å; H26-A410 CarbonylContact C-O 3.59Å; H26-A410 VanDerWaalsContact O-O 3.06Å; R27-A410 WeakPolarHBondContact CA-O 3.46Å; R27-A410 HydrophobicContact CB-CB 4.46Å; R27-A410 HydrophobicContact CG-CB 4.1Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 3.32Å; A410-H412 PolarHBondContact O-N 3.37Å; A410-G413 PolarHBondContact O-N 2.82Å
411A98.8Very high98.7Very high13 Ų134.9 Ų4.911%0.1073%0.026CC..THydrogen-bonded Turntrans-53.7-22.517200000113.3Y346 R407 T409Y346-A411 HydrophobicContact CD2-CB 4.02Å; Y346-A411 HydrophobicContact CE2-CB 3.56Å; R407-A411 VanDerWaalsContact O-CB 3.26Å; R407-A411 WeakPolarHBondContact O-CB 3.22Å; R407-A411 PolarHBondContact O-N 3.2Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.29Å
412H98.8Very high98.7Very high25 Ų253.9 Ų3.912%0.1162%0.02CC..THydrogen-bonded Turntrans-118.618179.6-58.7-62.3000113.4Y346 K350 R353 T409 A410 L414Y346-H412 AromaticContact CD1-NE2 3.63Å; Y346-H412 AromaticContact CD2-NE2 3.68Å; Y346-H412 AromaticContact CE1-CE1 3.7Å; Y346-H412 AromaticContact CE1-NE2 3.34Å; Y346-H412 VanDerWaalsContact CE1-NE2 3.34Å; Y346-H412 WeakPolarHBondContact CE1-NE2 3.37Å; Y346-H412 AromaticContact CE2-CE1 4Å; Y346-H412 AromaticContact CE2-NE2 3.42Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.22Å; Y346-H412 AromaticContact CG-NE2 3.76Å; Y346-H412 AromaticContact CZ-CE1 3.45Å; Y346-H412 VanDerWaalsContact CZ-CE1 3.45Å; Y346-H412 AromaticContact CZ-NE2 3.2Å; Y346-H412 PolarHBondContact O-CD2 3.15Å; Y346-H412 PolarHBondContact O-NE2 3.46Å; Y346-H412 PolarHBondContact OH-CE1 3.41Å; K350-H412 PolarHBondContact N-CD2 3.35Å; K350-H412 VanDerWaalsContact N-CD2 3.3Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.36Å; R353-H412 WeakPolarHBondContact CD-O 3.35Å; R353-H412 HydrophobicContact CG-CB 4.47Å; R353-H412 VanDerWaalsContact CG-O 3.23Å; R353-H412 WeakPolarHBondContact CG-O 3.42Å; R353-H412 PolarHBondContact NH1-O 3.16Å; T409-H412 PolarHBondContact O-N 3.23Å; T409-H412 VanDerWaalsContact O-N 3.17Å; A410-H412 PolarHBondContact O-N 3.37Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 2.94Å
413G98.6Very high98.6Very high1 Ų14.2 Ų4.21%0.012%0.022CC..THydrogen-bonded Turntrans673217700000113.7H26 R27 L50 A410H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.41Å; H26-G413 PolarHBondContact O-N 3.32Å; R27-G413 WeakPolarHBondContact O-CA 3.42Å; L50-G413 VanDerWaalsContact CD1-O 3.3Å; L50-G413 WeakPolarHBondContact CD1-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.29Å; A410-G413 PolarHBondContact O-N 2.82Å
414L98.9Very high98.4Very high0 Ų05.2 Ų5.20%03%0.025CC..  trans-101.6157.2173.4-55.6176.8000110.3M1 S349 I352 R353 N358 I361 T409 H412M1-L414 WeakPolarHBondContact CG-O 3.06Å; M1-L414 PolarHBondContact N-O 2.98Å; S349-L414 WeakPolarHBondContact O-CD1 3.34Å; I352-L414 HydrophobicContact CB-CD1 3.82Å; I352-L414 HydrophobicContact CD1-CD1 4.36Å; I352-L414 HydrophobicContact CG2-CD1 3.71Å; I352-L414 HydrophobicContact CG2-CD2 3.99Å; R353-L414 HydrophobicContact CB-CD2 4.34Å; N358-L414 WeakPolarHBondContact O-CD2 3.4Å; I361-L414 HydrophobicContact CG1-CB 4.22Å; I361-L414 HydrophobicContact CG1-CD1 4.18Å; T409-L414 WeakPolarHBondContact O-CB 3.48Å; T409-L414 PolarHBondContact O-N 3.43Å; T409-L414 VanDerWaalsContact O-N 3.11Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 2.94Å
415E98.8Very high98.3Very high3 Ų34.6 Ų4.61%0.0142%0.022CC..EExtended strand (participates in β ladder)trans-105125.8173.7176.2173.691.300112.4M1 L50 V52 E77 R143 V359 I361 R417M1-E415 HydrophobicContact CG-CB 4.1Å; M1-E415 HydrophobicContact CG-CG 4.06Å; L50-E415 HydrophobicContact CD2-CB 4.1Å; V52-E415 HydrophobicContact CG2-CB 4.34Å; E77-E415 WeakPolarHBondContact CG-OE2 3.45Å; R143-E415 VanDerWaalsContact NH2-CG 3.29Å; R143-E415 IonicContact NH2-OE2 2.65Å; R143-E415 PolarHBondContact NH2-OE2 3.26Å; V359-E415 PolarHBondContact O-N 3.4Å; I361-E415 PolarHBondContact N-O 2.8Å; E415-R417 IonicContact OE1-CZ 2.67Å; E415-R417 IonicContact OE1-NE 3.81Å; E415-R417 PolarHBondContact OE1-NE 2.97Å; E415-R417 IonicContact OE1-NH2 3.23Å; E415-R417 PolarHBondContact OE1-NH2 2.9Å
416L98.7Very high98.2Very high0 Ų04.6 Ų4.60%02%0.022CC..EExtended strand (participates in β ladder)trans-85.3135.6172.1-177.875000112.4M1 R143 M345 I361 A405 V418M1-L416 HydrophobicContact CE-CB 3.91Å; M1-L416 HydrophobicContact SD-CB 4.29Å; R143-L416 PolarHBondContact NH1-O 3.21Å; R143-L416 PolarHBondContact NH2-O 3.37Å; M345-L416 HydrophobicContact CE-CD1 4.37Å; I361-L416 WeakPolarHBondContact O-CA 3.49Å; A405-L416 HydrophobicContact CB-CD1 4.18Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.4Å; L416-V418 HydrophobicContact CD1-CG1 4.13Å; L416-V418 HydrophobicContact CD2-CG1 3.94Å; L416-V418 HydrophobicContact CG-CG1 3.97Å
417R98.8Very high98.1Very high1 Ų14.9 Ų4.90%0.0043%0.025CC..EExtended strand (participates in β ladder)trans-127.2128.4165.3-61.7-169.6-176-158.4-7.2111.6E77 R246 M248 V360 I361 F362 S363 E415E77-R417 IonicContact OE1-NH2 3.35Å; E77-R417 IonicContact OE2-CZ 3.57Å; E77-R417 IonicContact OE2-NH2 2.68Å; E77-R417 PolarHBondContact OE2-NH2 2.91Å; R246-R417 VanDerWaalsContact C-NH1 3.34Å; R246-R417 WeakPolarHBondContact O-CD 3.44Å; R246-R417 PolarHBondContact O-NH1 3.38Å; M248-R417 VanDerWaalsContact O-CZ 3.23Å; M248-R417 PolarHBondContact O-NH1 3.1Å; M248-R417 PolarHBondContact O-NH2 3.09Å; V360-R417 VanDerWaalsContact CG1-CD 3.44Å; V360-R417 HydrophobicContact CG1-CG 3.91Å; I361-R417 PolarHBondContact O-N 3.01Å; F362-R417 WeakPolarHBondContact CA-O 3.34Å; F362-R417 HydrophobicContact CD1-CB 4.41Å; F362-R417 HydrophobicContact CD2-CB 4.26Å; F362-R417 HydrophobicContact CE1-CB 4.46Å; F362-R417 HydrophobicContact CE2-CB 4.3Å; F362-R417 HydrophobicContact CG-CB 4.34Å; F362-R417 HydrophobicContact CZ-CB 4.43Å; S363-R417 PolarHBondContact N-O 3.38Å; E415-R417 IonicContact OE1-CZ 2.67Å; E415-R417 IonicContact OE1-NE 3.81Å; E415-R417 PolarHBondContact OE1-NE 2.97Å; E415-R417 IonicContact OE1-NH2 3.23Å; E415-R417 PolarHBondContact OE1-NH2 2.9Å
418V98.7Very high97.9Very high2 Ų26 Ų61%0.0123%0.029CC..  trans-12592.9-174-76.10000110.2V142 E365 L416 F420 L421V142-V418 HydrophobicContact CG1-CG2 3.87Å; V142-V418 HydrophobicContact CG2-CG2 4.08Å; E365-V418 HydrophobicContact CB-CG1 3.99Å; L416-V418 HydrophobicContact CD1-CG1 4.13Å; L416-V418 HydrophobicContact CD2-CG1 3.94Å; L416-V418 HydrophobicContact CG-CG1 3.97Å; V418-F420 VanDerWaalsContact C-N 3.32Å; V418-F420 PolarHBondContact O-N 2.93Å; V418-L421 HydrophobicContact CG2-CB 4.28Å; V418-L421 HydrophobicContact CG2-CD1 3.96Å; V418-L421 HydrophobicContact CG2-CG 4.39Å; V418-L421 PolarHBondContact O-N 2.8Å
419P98.8Very high97.8Very high0 Ų06 Ų60%03%0.029CC..G310 helixtrans-70.1-21.8-173.527.9-35.2000114.3F239 A242 V243 V266 F362 S363 L421 D422F239-P419 HydrophobicContact CE2-CB 4.46Å; F239-P419 HydrophobicContact CE2-CG 4.41Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; A242-P419 HydrophobicContact CB-CB 4.1Å; V243-P419 HydrophobicContact CG2-CB 3.82Å; V243-P419 HydrophobicContact CG2-CG 4.02Å; V266-P419 HydrophobicContact CG1-CG 4.11Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; F362-P419 HydrophobicContact CD1-CG 4.48Å; S363-P419 WeakPolarHBondContact O-CD 3.34Å; P419-L421 PolarHBondContact O-N 3.05Å; P419-D422 WeakPolarHBondContact O-CB 3.24Å; P419-D422 PolarHBondContact O-N 3.07Å; P419-D422 VanDerWaalsContact O-N 3.14Å
420F98.8Very high97.7Very high0 Ų06 Ų60%03%0.029CC..G310 helixtrans-64.8-24.5174.8-80.7-80.4000113.2F239 D262 V266 S367 V418 D422 F425 L448F239-F420 HydrophobicContact CD2-CE1 4.36Å; F239-F420 AromaticContact CE2-CD1 3.91Å; F239-F420 HydrophobicContact CE2-CD1 3.91Å; F239-F420 AromaticContact CE2-CD2 3.92Å; F239-F420 HydrophobicContact CE2-CD2 3.92Å; F239-F420 AromaticContact CE2-CE1 3.7Å; F239-F420 HydrophobicContact CE2-CE1 3.7Å; F239-F420 AromaticContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CG 4.01Å; F239-F420 AromaticContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CZ-CD2 4.3Å; F239-F420 HydrophobicContact CZ-CE1 4.29Å; F239-F420 AromaticContact CZ-CE2 3.76Å; F239-F420 HydrophobicContact CZ-CE2 3.76Å; F239-F420 AromaticContact CZ-CZ 3.75Å; F239-F420 HydrophobicContact CZ-CZ 3.75Å; D262-F420 HydrophobicContact CB-CE2 3.86Å; D262-F420 HydrophobicContact CB-CZ 4.21Å; V266-F420 HydrophobicContact CG2-CD2 4.05Å; V266-F420 HydrophobicContact CG2-CE2 3.7Å; S367-F420 VanDerWaalsContact OG-CE1 3.23Å; S367-F420 WeakPolarHBondContact OG-CE1 3.43Å; S367-F420 WeakPolarHBondContact OG-CZ 3.36Å; V418-F420 VanDerWaalsContact C-N 3.32Å; V418-F420 PolarHBondContact O-N 2.93Å; F420-D422 VanDerWaalsContact C-N 3.29Å; F420-F425 AromaticContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CZ 4.19Å; F420-F425 HydrophobicContact CE1-CE1 4.26Å; F420-F425 HydrophobicContact CE1-CZ 4.32Å; F420-L448 HydrophobicContact CE1-CD1 4.15Å; F420-L448 HydrophobicContact CE1-CD2 3.91Å; F420-L448 HydrophobicContact CZ-CD2 4.16Å
421L98.5Very high97.5Very high3 Ų38.8 Ų8.82%0.0165%0.048CC..G310 helixtrans-92.917.2176.1-60.4-178.6000112.8Y140 V142 L394 L397 V402 V418 P419 H423Y140-L421 HydrophobicContact CD1-CD2 4.43Å; Y140-L421 HydrophobicContact CD2-CB 3.89Å; Y140-L421 HydrophobicContact CD2-CD2 4.27Å; Y140-L421 HydrophobicContact CE2-CB 4.36Å; Y140-L421 WeakPolarHBondContact CE2-O 3.48Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.2Å; V142-L421 HydrophobicContact CG2-CD1 3.9Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.65Å; L397-L421 HydrophobicContact CD1-CG 4.44Å; V402-L421 HydrophobicContact CG2-CD1 3.77Å; V418-L421 HydrophobicContact CG2-CB 4.28Å; V418-L421 HydrophobicContact CG2-CD1 3.96Å; V418-L421 HydrophobicContact CG2-CG 4.39Å; V418-L421 PolarHBondContact O-N 2.8Å; P419-L421 PolarHBondContact O-N 3.05Å; L421-H423 PolarHBondContact O-N 3.11Å
422D98.1Very high97.4Very high1 Ų18.2 Ų8.21%0.0054%0.044CC..  trans-64.3127.9172.2-177.5-95000111.7A242 K245 R246 P419 F420 R424 F425 S426A242-D422 HydrophobicContact CB-CB 3.46Å; A242-D422 VanDerWaalsContact CB-CB 3.46Å; K245-D422 WeakPolarHBondContact CD-OD2 3.48Å; K245-D422 WeakPolarHBondContact CE-OD2 3.44Å; K245-D422 VanDerWaalsContact NZ-CG 3.29Å; K245-D422 IonicContact NZ-OD1 2.76Å; K245-D422 PolarHBondContact NZ-OD1 2.91Å; K245-D422 VanDerWaalsContact NZ-OD1 3.13Å; K245-D422 IonicContact NZ-OD2 3.54Å; K245-D422 PolarHBondContact NZ-OD2 3.17Å; R246-D422 IonicContact CZ-OD2 3.81Å; R246-D422 IonicContact NH1-OD2 2.74Å; R246-D422 PolarHBondContact NH1-OD2 2.61Å; R246-D422 VanDerWaalsContact NH2-CA 3.29Å; R246-D422 IonicContact NH2-OD2 2.82Å; R246-D422 PolarHBondContact NH2-OD2 2.74Å; P419-D422 WeakPolarHBondContact O-CB 3.24Å; P419-D422 PolarHBondContact O-N 3.07Å; P419-D422 VanDerWaalsContact O-N 3.14Å; F420-D422 VanDerWaalsContact C-N 3.29Å; D422-R424 PolarHBondContact O-N 2.94Å; D422-R424 VanDerWaalsContact O-N 3.12Å; D422-R424 PolarHBondContact OD1-N 3.12Å; D422-R424 VanDerWaalsContact OD1-N 3.1Å; D422-F425 HydrophobicContact CB-CB 4Å; D422-F425 PolarHBondContact O-N 3.37Å; D422-F425 VanDerWaalsContact O-N 3.1Å; D422-F425 PolarHBondContact OD1-N 2.94Å; D422-S426 WeakPolarHBondContact O-CB 3.45Å; D422-S426 PolarHBondContact O-N 3.35Å; D422-S426 PolarHBondContact O-OG 3.5Å
423H96.3Very high97.3Very high9 Ų99 Ų94%0.0425%0.051CC..Hα-helixtrans-53.5-40.1-173.3-60165.9000112.8D118 G119 P211 H213 L421 S426 S427D118-H423 IonicContact OD1-ND1 3.57Å; G119-H423 PolarHBondContact O-CE1 2.73Å; P211-H423 HydrophobicContact CB-CB 4.12Å; P211-H423 HydrophobicContact CG-CB 3.86Å; H213-H423 AromaticContact NE2-CG 3.87Å; H213-H423 AromaticContact NE2-ND1 3.38Å; H213-H423 PolarHBondContact NE2-ND1 3.49Å; L421-H423 PolarHBondContact O-N 3.11Å; H423-S426 PolarHBondContact O-OG 2.76Å; H423-S427 WeakPolarHBondContact O-CB 3.17Å; H423-S427 PolarHBondContact O-N 3.04Å; H423-S427 VanDerWaalsContact O-N 3.12Å; H423-S427 PolarHBondContact O-OG 3.01Å
424R94.1Very high97.2Very high33 Ų3310 Ų1013%0.1256%0.057CC..Hα-helixtrans-76.5-41.8-179.3-74.1-177.4141-147.7-10.2112.1P211 A214 D217 L238 D422 Y428P211-R424 HydrophobicContact CG-CG 4.28Å; A214-R424 VanDerWaalsContact CA-NH2 3.33Å; A214-R424 PolarHBondContact O-NH2 2.75Å; D217-R424 VanDerWaalsContact CB-NH1 3.29Å; D217-R424 PolarHBondContact O-NH2 2.79Å; D217-R424 IonicContact OD1-NH1 2.82Å; D217-R424 IonicContact OD2-CZ 3.16Å; D217-R424 VanDerWaalsContact OD2-CZ 3.25Å; D217-R424 IonicContact OD2-NE 3.23Å; D217-R424 IonicContact OD2-NH1 2.72Å; D217-R424 PolarHBondContact OD2-NH1 2.98Å; L238-R424 HydrophobicContact CD2-CB 4.1Å; D422-R424 PolarHBondContact O-N 2.94Å; D422-R424 VanDerWaalsContact O-N 3.12Å; D422-R424 PolarHBondContact OD1-N 3.12Å; D422-R424 VanDerWaalsContact OD1-N 3.1Å; R424-Y428 WeakPolarHBondContact O-CB 3.4Å; R424-Y428 PolarHBondContact O-N 3.27Å; R424-Y428 VanDerWaalsContact O-N 3.14Å
425F96.5Very high97.1Very high0 Ų014.6 Ų14.60%08%0.079CC..Hα-helixtrans-64-48.8177.6176.7-98.9000111.8L235 L238 F239 L370 F420 D422 Y428 Y429L235-F425 HydrophobicContact CD2-CD2 4.46Å; L235-F425 HydrophobicContact CD2-CE2 3.89Å; L235-F425 HydrophobicContact CD2-CZ 4.47Å; L238-F425 HydrophobicContact CB-CB 4.26Å; L238-F425 HydrophobicContact CB-CD2 3.94Å; F239-F425 HydrophobicContact CB-CD2 3.93Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CD2 4.21Å; F239-F425 HydrophobicContact CD2-CE1 4.26Å; F239-F425 AromaticContact CD2-CE2 3.91Å; F239-F425 HydrophobicContact CD2-CE2 3.91Å; F239-F425 AromaticContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CG-CE2 4.28Å; L370-F425 HydrophobicContact CD2-CD1 3.88Å; L370-F425 HydrophobicContact CD2-CE1 3.53Å; F420-F425 AromaticContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CZ 4.19Å; F420-F425 HydrophobicContact CE1-CE1 4.26Å; F420-F425 HydrophobicContact CE1-CZ 4.32Å; D422-F425 HydrophobicContact CB-CB 4Å; D422-F425 PolarHBondContact O-N 3.37Å; D422-F425 VanDerWaalsContact O-N 3.1Å; D422-F425 PolarHBondContact OD1-N 2.94Å; F425-Y428 PolarHBondContact O-N 2.92Å; F425-Y429 HydrophobicContact CZ-CD2 4.46Å; F425-Y429 PolarHBondContact O-N 3.04Å
426S97.4Very high97Very high0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-69-44.5-177.5620000112.1Y140 D422 H423 Y428 Y429 L430Y140-S426 VanDerWaalsContact OH-CB 3.28Å; Y140-S426 WeakPolarHBondContact OH-CB 3.49Å; Y140-S426 PolarHBondContact OH-OG 2.92Å; D422-S426 WeakPolarHBondContact O-CB 3.45Å; D422-S426 PolarHBondContact O-N 3.35Å; D422-S426 PolarHBondContact O-OG 3.5Å; H423-S426 PolarHBondContact O-OG 2.76Å; S426-Y428 VanDerWaalsContact C-N 3.32Å; S426-Y428 PolarHBondContact O-N 3.24Å; S426-Y429 PolarHBondContact O-N 2.91Å; S426-L430 WeakPolarHBondContact O-CB 3.18Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.13Å; S426-L430 PolarHBondContact O-N 2.78Å
427S95.1Very high96.9Very high7 Ų716.2 Ų16.25%0.0499%0.086CC..Hα-helixtrans-60.1-41.8175.5-65.30000111.5C207 D209 H423 L430 S431C207-S427 PolarHBondContact O-OG 3.48Å; D209-S427 PolarHBondContact O-OG 3.14Å; H423-S427 WeakPolarHBondContact O-CB 3.17Å; H423-S427 PolarHBondContact O-N 3.04Å; H423-S427 VanDerWaalsContact O-N 3.12Å; H423-S427 PolarHBondContact O-OG 3.01Å; S427-L430 PolarHBondContact O-N 3.48Å; S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 3.44Å
428Y95.3Very high96.7Very high27 Ų2717.6 Ų17.611%0.10610%0.095CC..Hα-helixtrans-64.1-46.8176-177.2-100.5000111.8L222 N234 L235 L238 R424 F425 S426 L430 S431 L432L222-Y428 HydrophobicContact CD1-CD2 4.04Å; L222-Y428 HydrophobicContact CD1-CE2 4.42Å; N234-Y428 HydrophobicContact CB-CD1 4.39Å; N234-Y428 HydrophobicContact CB-CE1 3.57Å; N234-Y428 HydrophobicContact CB-CE2 4.23Å; N234-Y428 VanDerWaalsContact CB-CZ 3.49Å; N234-Y428 WeakPolarHBondContact CB-OH 3.46Å; N234-Y428 PolarHBondContact ND2-OH 3.25Å; L235-Y428 HydrophobicContact CD2-CD1 3.75Å; L235-Y428 HydrophobicContact CD2-CE1 4.05Å; L235-Y428 HydrophobicContact CG-CD1 4.31Å; L235-Y428 HydrophobicContact CG-CE1 4.11Å; L238-Y428 HydrophobicContact CD1-CD1 3.66Å; L238-Y428 HydrophobicContact CD1-CD2 4.23Å; L238-Y428 HydrophobicContact CD1-CG 3.47Å; L238-Y428 VanDerWaalsContact CD1-CG 3.47Å; R424-Y428 WeakPolarHBondContact O-CB 3.4Å; R424-Y428 PolarHBondContact O-N 3.27Å; R424-Y428 VanDerWaalsContact O-N 3.14Å; F425-Y428 PolarHBondContact O-N 2.92Å; S426-Y428 VanDerWaalsContact C-N 3.32Å; S426-Y428 PolarHBondContact O-N 3.24Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 3.11Å; Y428-S431 WeakPolarHBondContact O-CB 3.38Å; Y428-S431 PolarHBondContact O-N 2.9Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.84Å; Y428-L432 HydrophobicContact CE1-CD2 4.09Å; Y428-L432 PolarHBondContact O-N 2.94Å
429Y97.5Very high96.5Very high1 Ų118.8 Ų18.80%0.00410%0.103CC..Hα-helixtrans-60.1-43.3178-160.8-79.3000111.5L235 L370 T371 F425 S426 S431 L432 R437 L447L235-Y429 HydrophobicContact CD1-CD2 4.21Å; L235-Y429 HydrophobicContact CD1-CE2 4.19Å; L235-Y429 HydrophobicContact CD2-CD2 3.63Å; L235-Y429 HydrophobicContact CD2-CE2 4.4Å; L235-Y429 HydrophobicContact CD2-CG 4.48Å; L370-Y429 HydrophobicContact CD1-CD1 4.2Å; L370-Y429 HydrophobicContact CD1-CG 4.44Å; L370-Y429 HydrophobicContact CD2-CG 4.35Å; L370-Y429 HydrophobicContact CG-CD1 3.94Å; L370-Y429 HydrophobicContact CG-CG 4.12Å; L370-Y429 WeakPolarHBondContact O-CD1 3.47Å; L370-Y429 WeakPolarHBondContact O-CE1 3.38Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.41Å; T371-Y429 HydrophobicContact CG2-CE1 3.82Å; T371-Y429 HydrophobicContact CG2-CE2 3.82Å; T371-Y429 VanDerWaalsContact CG2-CZ 3.5Å; F425-Y429 HydrophobicContact CZ-CD2 4.46Å; F425-Y429 PolarHBondContact O-N 3.04Å; S426-Y429 PolarHBondContact O-N 2.91Å; Y429-S431 PolarHBondContact O-N 2.86Å; Y429-L432 HydrophobicContact CD2-CD1 4.43Å; Y429-L432 HydrophobicContact CG-CD1 4.47Å; Y429-L432 WeakPolarHBondContact O-CB 3.24Å; Y429-L432 WeakPolarHBondContact O-CG 3.28Å; Y429-L432 PolarHBondContact O-N 2.87Å; Y429-R437 VanDerWaalsContact CD1-CD 3.43Å; Y429-R437 HydrophobicContact CD1-CG 4.13Å; Y429-R437 HydrophobicContact CE1-CB 4.2Å; Y429-R437 HydrophobicContact CE1-CG 3.56Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.22Å; Y429-L447 HydrophobicContact CE2-CD2 4.28Å
430L96.5Very high96.1Very high1 Ų123.1 Ų23.11%0.00512%0.122CC..Hα-helixtrans-68.9-20.6177.2-68.9170.5000113.6C207 R208 L370 L394 S426 S427 Y428 L432C207-L430 HydrophobicContact CB-CD1 3.94Å; C207-L430 VanDerWaalsContact O-CD1 3.29Å; C207-L430 WeakPolarHBondContact O-CD1 3.23Å; R208-L430 HydrophobicContact CG-CB 4.36Å; L370-L430 HydrophobicContact CD1-CD1 4.14Å; L370-L430 HydrophobicContact CD1-CD2 3.85Å; L370-L430 HydrophobicContact CD1-CG 3.64Å; L394-L430 HydrophobicContact CD1-CD1 3.79Å; L394-L430 HydrophobicContact CD1-CD2 3.98Å; L394-L430 HydrophobicContact CD1-CG 4.4Å; S426-L430 WeakPolarHBondContact O-CB 3.18Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.13Å; S426-L430 PolarHBondContact O-N 2.78Å; S427-L430 PolarHBondContact O-N 3.48Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 3.11Å; L430-L432 VanDerWaalsContact C-N 3.3Å
431S94.7Very high95.7Very high57 Ų5730.1 Ų30.140%0.39916%0.159SC..Hα-helixtrans-78.1-13.5175.378.10000113.9S427 Y428 Y429S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 3.44Å; Y428-S431 WeakPolarHBondContact O-CB 3.38Å; Y428-S431 PolarHBondContact O-N 2.9Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.84Å; Y429-S431 PolarHBondContact O-N 2.86Å
432L96.4Very high95.2Very high2 Ų233.3 Ų33.31%0.0119%0.193CC..SBendtrans-67.9145.7180-59.4177.8000111.2F226 V231 Y428 Y429 L430 R437 L447F226-L432 HydrophobicContact CD1-CD2 3.68Å; F226-L432 HydrophobicContact CE1-CD2 3.83Å; V231-L432 HydrophobicContact CB-CD2 4.45Å; V231-L432 HydrophobicContact CG1-CD1 3.8Å; V231-L432 HydrophobicContact CG1-CD2 3.74Å; V231-L432 HydrophobicContact CG1-CG 4.45Å; V231-L432 HydrophobicContact CG2-CD2 3.84Å; Y428-L432 HydrophobicContact CE1-CD2 4.09Å; Y428-L432 PolarHBondContact O-N 2.94Å; Y429-L432 HydrophobicContact CD2-CD1 4.43Å; Y429-L432 HydrophobicContact CG-CD1 4.47Å; Y429-L432 WeakPolarHBondContact O-CB 3.24Å; Y429-L432 WeakPolarHBondContact O-CG 3.28Å; Y429-L432 PolarHBondContact O-N 2.87Å; L430-L432 VanDerWaalsContact C-N 3.3Å; L432-R437 HydrophobicContact CB-CG 4.27Å; L432-R437 HydrophobicContact CD1-CG 4.49Å; L432-L447 HydrophobicContact CD1-CD2 3.53Å
433P96.7Very high95Very high41 Ų4134.3 Ų34.327%0.26620%0.198SC..  trans-47.8131.6171-26.533000111.3F226 E435 M436F226-P433 HydrophobicContact CB-CG 4.36Å; F226-P433 HydrophobicContact CD2-CG 4.19Å; F226-P433 HydrophobicContact CG-CG 4.19Å; P433-E435 WeakPolarHBondContact CB-OE2 3.24Å; P433-E435 PolarHBondContact O-N 2.84Å; P433-E435 VanDerWaalsContact O-N 3.07Å; P433-M436 HydrophobicContact CB-CG 4.17Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.01Å; P433-M436 WeakPolarHBondContact O-CB 3.28Å; P433-M436 PolarHBondContact O-N 2.89Å
434P96.6Very high95Very high23 Ų2334 Ų3415%0.14920%0.197CC..Hα-helixtrans-51.7-36.1-174.2-29.936.6000113.8P383 M436 R437 T438P383-P434 HydrophobicContact CB-CB 3.56Å; P434-M436 PolarHBondContact O-N 3.12Å; P434-R437 PolarHBondContact O-N 2.76Å; P434-T438 PolarHBondContact O-N 2.89Å
435E96.8Very high95.2Very high96 Ų9632.6 Ų32.645%0.44919%0.191SC..Hα-helixtrans-68-18.4-179.6-49.883172.800113.7P383 P433 R437 T438 K440P383-E435 HydrophobicContact CB-CG 4.25Å; P383-E435 HydrophobicContact CG-CG 3.98Å; P433-E435 WeakPolarHBondContact CB-OE2 3.24Å; P433-E435 PolarHBondContact O-N 2.84Å; P433-E435 VanDerWaalsContact O-N 3.07Å; E435-R437 VanDerWaalsContact C-N 3.34Å; E435-T438 PolarHBondContact O-OG1 2.87Å; E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.42Å; E435-K440 PolarHBondContact O-NZ 2.82Å
436M97.1Very high95.2Very high33 Ų3333.3 Ų33.316%0.16320%0.195CC..Hα-helixtrans-79-22.2173.3-64-171.673.100112F226 I228 V231 P433 P434F226-M436 HydrophobicContact CB-SD 4.24Å; I228-M436 HydrophobicContact CD1-CE 3.96Å; V231-M436 HydrophobicContact CB-CE 4.26Å; V231-M436 HydrophobicContact CG1-CE 4.34Å; V231-M436 HydrophobicContact CG2-CE 3.9Å; P433-M436 HydrophobicContact CB-CG 4.17Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.01Å; P433-M436 WeakPolarHBondContact O-CB 3.28Å; P433-M436 PolarHBondContact O-N 2.89Å; P434-M436 PolarHBondContact O-N 3.12Å
437R97.1Very high95.2Very high3 Ų333.7 Ų33.71%0.01120%0.197CC..Hα-helixtrans-96.4-21.9-175.6-65.1-169.5-77.6143.1-3.8113.9E387 Y429 L432 P434 E435E387-R437 IonicContact OE1-CZ 2.99Å; E387-R437 IonicContact OE1-NH2 2.71Å; E387-R437 PolarHBondContact OE1-NH2 2.87Å; Y429-R437 VanDerWaalsContact CD1-CD 3.43Å; Y429-R437 HydrophobicContact CD1-CG 4.13Å; Y429-R437 HydrophobicContact CE1-CB 4.2Å; Y429-R437 HydrophobicContact CE1-CG 3.56Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.22Å; L432-R437 HydrophobicContact CB-CG 4.27Å; L432-R437 HydrophobicContact CD1-CG 4.49Å; P434-R437 PolarHBondContact O-N 2.76Å; E435-R437 VanDerWaalsContact C-N 3.34Å
438T94.4Very high95.4Very high31 Ų3133.4 Ų33.419%0.1919%0.194CC..SBendtrans-61.8149.6-179.653.90000112P383 P434 E435 K440P383-T438 HydrophobicContact CB-CG2 3.89Å; P383-T438 HydrophobicContact CG-CG2 4.14Å; P434-T438 PolarHBondContact O-N 2.89Å; E435-T438 PolarHBondContact O-OG1 2.87Å; T438-K440 PolarHBondContact O-N 3.01Å
439P93.7Very high95.5Very high27 Ų2732.2 Ų32.218%0.17519%0.19CC..  trans-53.6135.9171.6-25.434.2000111.7F377 H378F377-P439 HydrophobicContact CB-CG 4.23Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.41Å; H378-P439 WeakPolarHBondContact ND1-CB 3.4Å
440K91.3Very high95.5Very high91 Ų9134.8 Ų34.840%0.39620%0.202SC..BIsolated β-bridgetrans-126.9150.5179-75.1-178.3-178.3173.50110E435 T438 G442 I443 H446E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.42Å; E435-K440 PolarHBondContact O-NZ 2.82Å; T438-K440 PolarHBondContact O-N 3.01Å; K440-G442 PolarHBondContact O-N 3.37Å; K440-G442 VanDerWaalsContact O-N 3.1Å; K440-I443 PolarHBondContact N-O 3.34Å; K440-I443 VanDerWaalsContact O-CG2 3.24Å; K440-I443 WeakPolarHBondContact O-CG2 3.49Å; K440-I443 PolarHBondContact O-N 3.21Å; K440-I443 VanDerWaalsContact O-O 3.08Å; K440-H446 HydrophobicContact CB-CB 4.05Å; K440-H446 PolarHBondContact O-CD2 3.26Å
441N89.8Confident95.6Very high146 Ų14634.8 Ų34.878%0.78120%0.202SC*.THydrogen-bonded Turntrans54.331.8177-57.7-33.2000114.3I443 H446N441-I443 PolarHBondContact O-N 3.39Å; N441-H446 PolarHBondContact ND2-NE2 2.65Å; N441-H446 VanDerWaalsContact ND2-NE2 3.14Å
442G88.1Confident95.8Very high70 Ų7032.4 Ų32.472%0.72218%0.184SC*.THydrogen-bonded Turntrans72.411.6-179.200000114.8K440K440-G442 PolarHBondContact O-N 3.37Å; K440-G442 VanDerWaalsContact O-N 3.1Å
443I93.9Very high95.7Very high22 Ų2235.6 Ų35.611%0.11320%0.199CC..BIsolated β-bridgetrans-125.4131.4178.2-169.7150.6000111.5K440 N441 H446 W464K440-I443 PolarHBondContact N-O 3.34Å; K440-I443 VanDerWaalsContact O-CG2 3.24Å; K440-I443 WeakPolarHBondContact O-CG2 3.49Å; K440-I443 PolarHBondContact O-N 3.21Å; K440-I443 VanDerWaalsContact O-O 3.08Å; N441-I443 PolarHBondContact O-N 3.39Å; I443-H446 HydrophobicContact CG2-CB 4.44Å; I443-W464 HydrophobicContact CD1-CE3 3.9Å; I443-W464 WeakPolarHBondContact CD1-O 3.43Å; I443-W464 HydrophobicContact CG2-CE3 4.36Å; I443-W464 HydrophobicContact CG2-CZ3 4.08Å
444E96.1Very high95.5Very high4 Ų441.1 Ų41.12%0.01922%0.222CC..THydrogen-bonded Turntrans-69.6156.9173.272.9-64.915600111.7G373 H378 H446 R449 K467G373-E444 WeakPolarHBondContact O-CG 3.31Å; H378-E444 IonicContact NE2-OE2 2.71Å; E444-H446 PolarHBondContact O-N 3.06Å; E444-H446 VanDerWaalsContact O-N 3.17Å; E444-R449 PolarHBondContact O-NE 2.85Å; E444-R449 IonicContact OE1-CZ 3.77Å; E444-R449 IonicContact OE1-NH2 2.65Å; E444-R449 PolarHBondContact OE1-NH2 3.3Å; E444-K467 HydrophobicContact CG-CB 3.94Å; E444-K467 WeakPolarHBondContact OE1-CB 3.44Å; E444-K467 PolarHBondContact OE1-N 3.07Å
445K97.6Very high95.3Very high2 Ų242.6 Ų42.61%0.00923%0.232CC..THydrogen-bonded Turntrans56.929.1178.1-47.3-179.7179.3172.80113.9L261 D262 D368 T371 L447 L448 R449L261-K445 HydrophobicContact CD2-CB 4.09Å; L261-K445 HydrophobicContact CD2-CD 3.88Å; D262-K445 IonicContact OD1-NZ 3.22Å; D262-K445 PolarHBondContact OD1-NZ 2.78Å; D262-K445 IonicContact OD2-NZ 3.13Å; D262-K445 PolarHBondContact OD2-NZ 3.18Å; D368-K445 VanDerWaalsContact CG-NZ 3.31Å; D368-K445 WeakPolarHBondContact OD1-CE 3.39Å; D368-K445 IonicContact OD1-NZ 3.19Å; D368-K445 PolarHBondContact OD1-NZ 3.06Å; D368-K445 IonicContact OD2-NZ 3.91Å; T371-K445 WeakPolarHBondContact OG1-CD 3.37Å; T371-K445 VanDerWaalsContact OG1-CG 3.31Å; T371-K445 WeakPolarHBondContact OG1-CG 3.41Å; K445-L447 VanDerWaalsContact C-N 3.31Å; K445-L447 PolarHBondContact O-N 3.07Å; K445-L448 HydrophobicContact CB-CB 4.16Å; K445-L448 HydrophobicContact CB-CD2 4.49Å; K445-L448 HydrophobicContact CD-CD2 4.35Å; K445-L448 WeakPolarHBondContact O-CB 3.47Å; K445-L448 PolarHBondContact O-N 3.06Å; K445-R449 WeakPolarHBondContact O-CG 3.14Å; K445-R449 PolarHBondContact O-N 3.37Å
446H97.3Very high95.2Very high16 Ų1643.8 Ų43.87%0.07424%0.242CC..Hα-helixtrans-52.3-47.3-175.1-168.8-78.2000112.5K440 N441 I443 E444 L448 R449 E450K440-H446 HydrophobicContact CB-CB 4.05Å; K440-H446 PolarHBondContact O-CD2 3.26Å; N441-H446 PolarHBondContact ND2-NE2 2.65Å; N441-H446 VanDerWaalsContact ND2-NE2 3.14Å; I443-H446 HydrophobicContact CG2-CB 4.44Å; E444-H446 PolarHBondContact O-N 3.06Å; E444-H446 VanDerWaalsContact O-N 3.17Å; H446-L448 VanDerWaalsContact C-N 3.32Å; H446-L448 PolarHBondContact O-N 2.93Å; H446-R449 PolarHBondContact O-N 2.71Å; H446-R449 VanDerWaalsContact O-N 3.13Å; H446-E450 IonicContact CE1-OE1 3.4Å; H446-E450 PolarHBondContact CE1-OE1 3.26Å; H446-E450 IonicContact CE1-OE2 3.3Å; H446-E450 VanDerWaalsContact ND1-CD 3.25Å; H446-E450 IonicContact ND1-OE1 3.71Å; H446-E450 IonicContact ND1-OE2 3.59Å; H446-E450 PolarHBondContact ND1-OE2 2.91Å; H446-E450 PolarHBondContact O-N 2.93Å
447L98.1Very high95.1Very high8 Ų843.6 Ų43.64%0.04224%0.241CC..Hα-helixtrans-59.4-40.6177.7178.662.1000112.5I228 V231 K232 L235 Y429 L432 K445 T451I228-L447 HydrophobicContact CD1-CD1 3.57Å; V231-L447 HydrophobicContact CG1-CD1 4.18Å; V231-L447 HydrophobicContact CG1-CD2 4.1Å; K232-L447 HydrophobicContact CG-CD1 4.42Å; L235-L447 HydrophobicContact CD1-CD2 4.05Å; L235-L447 HydrophobicContact CD1-CG 4.05Å; Y429-L447 HydrophobicContact CE2-CD2 4.28Å; L432-L447 HydrophobicContact CD1-CD2 3.53Å; K445-L447 VanDerWaalsContact C-N 3.31Å; K445-L447 PolarHBondContact O-N 3.07Å; L447-T451 VanDerWaalsContact O-CB 3.31Å; L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 3.28Å; L447-T451 PolarHBondContact O-OG1 3Å
448L98.4Very high95.2Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-65.2-40.5176.9-174.167.4000111L261 L265 T371 F420 K445 H446 T451 F452L261-L448 HydrophobicContact CD2-CD2 4.04Å; L265-L448 HydrophobicContact CD1-CD1 4.26Å; L265-L448 HydrophobicContact CD1-CD2 4.01Å; L265-L448 HydrophobicContact CD1-CG 3.89Å; T371-L448 HydrophobicContact CG2-CD2 4.39Å; F420-L448 HydrophobicContact CE1-CD1 4.15Å; F420-L448 HydrophobicContact CE1-CD2 3.91Å; F420-L448 HydrophobicContact CZ-CD2 4.16Å; K445-L448 HydrophobicContact CB-CB 4.16Å; K445-L448 HydrophobicContact CB-CD2 4.49Å; K445-L448 HydrophobicContact CD-CD2 4.35Å; K445-L448 WeakPolarHBondContact O-CB 3.47Å; K445-L448 PolarHBondContact O-N 3.06Å; H446-L448 VanDerWaalsContact C-N 3.32Å; H446-L448 PolarHBondContact O-N 2.93Å; L448-T451 WeakPolarHBondContact O-CB 3.21Å; L448-T451 PolarHBondContact O-N 3.49Å; L448-F452 HydrophobicContact CD1-CD2 4.27Å; L448-F452 HydrophobicContact CD1-CE2 3.79Å; L448-F452 WeakPolarHBondContact O-CD2 3.19Å
449R98.3Very high95.3Very high2 Ų243.3 Ų43.31%0.00824%0.24CC..Hα-helixtrans-64.9-49.8177.9-61.6172.2-172.7-89.98.4111.2L261 E444 K445 H446 T451 F452 E453 L463 W464 R465L261-R449 HydrophobicContact CD1-CG 4.26Å; L261-R449 HydrophobicContact CD2-CG 3.63Å; E444-R449 PolarHBondContact O-NE 2.85Å; E444-R449 IonicContact OE1-CZ 3.77Å; E444-R449 IonicContact OE1-NH2 2.65Å; E444-R449 PolarHBondContact OE1-NH2 3.3Å; K445-R449 WeakPolarHBondContact O-CG 3.14Å; K445-R449 PolarHBondContact O-N 3.37Å; H446-R449 PolarHBondContact O-N 2.71Å; H446-R449 VanDerWaalsContact O-N 3.13Å; R449-T451 VanDerWaalsContact C-N 3.27Å; R449-T451 PolarHBondContact O-N 3Å; R449-F452 PolarHBondContact O-N 3.18Å; R449-F452 VanDerWaalsContact O-N 3.16Å; R449-E453 PolarHBondContact O-N 2.95Å; R449-E453 VanDerWaalsContact O-N 3.09Å; R449-L463 HydrophobicContact CB-CD1 4.37Å; R449-L463 HydrophobicContact CB-CG 4.43Å; R449-L463 WeakPolarHBondContact CD-O 3.21Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.44Å; R449-L463 PolarHBondContact NH1-O 2.84Å; R449-W464 HydrophobicContact CB-CD2 4.42Å; R449-W464 HydrophobicContact CB-CE3 4.05Å; R449-W464 HydrophobicContact CB-CH2 3.9Å; R449-W464 HydrophobicContact CB-CZ2 4.26Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.4Å; R449-W464 HydrophobicContact CG-CZ3 4.42Å; R449-R465 VanDerWaalsContact CZ-O 3.3Å; R449-R465 PolarHBondContact NH1-O 3.23Å; R449-R465 PolarHBondContact NH2-O 3.22Å
450E97.8Very high95.5Very high56 Ų5648.6 Ų48.626%0.26226%0.26SS..Hα-helixtrans-60.6-36.2176.2-71.7-174.9134.800112.5K232 H446 F452 E453 W464K232-E450 HydrophobicContact CD-CB 4.05Å; H446-E450 IonicContact CE1-OE1 3.4Å; H446-E450 PolarHBondContact CE1-OE1 3.26Å; H446-E450 IonicContact CE1-OE2 3.3Å; H446-E450 VanDerWaalsContact ND1-CD 3.25Å; H446-E450 IonicContact ND1-OE1 3.71Å; H446-E450 IonicContact ND1-OE2 3.59Å; H446-E450 PolarHBondContact ND1-OE2 2.91Å; H446-E450 PolarHBondContact O-N 2.93Å; E450-F452 PolarHBondContact O-N 2.98Å; E450-E453 PolarHBondContact O-N 3.48Å; E450-W464 HydrophobicContact CG-CH2 4.02Å; E450-W464 HydrophobicContact CG-CZ2 4.5Å
451T98.2Very high95.7Very high0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-55.3-35.2177.6-68.30000112L235 R236 L447 L448 R449L235-T451 HydrophobicContact CB-CG2 3.72Å; R236-T451 VanDerWaalsContact CD-O 3.3Å; R236-T451 WeakPolarHBondContact CD-O 3.24Å; R236-T451 HydrophobicContact CG-CG2 3.64Å; R236-T451 WeakPolarHBondContact CG-O 3.3Å; R236-T451 PolarHBondContact NH1-O 2.73Å; L447-T451 VanDerWaalsContact O-CB 3.31Å; L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 3.28Å; L447-T451 PolarHBondContact O-OG1 3Å; L448-T451 WeakPolarHBondContact O-CB 3.21Å; L448-T451 PolarHBondContact O-N 3.49Å; R449-T451 VanDerWaalsContact C-N 3.27Å; R449-T451 PolarHBondContact O-N 3Å
452F97.7Very high96.1Very high8 Ų842.9 Ų42.94%0.03523%0.23CC..Hα-helixtrans-109.22.5-176.8-65.5-75.8000114.3R236 F239 L265 L448 R449 E450 E454 S455 L457 L463R236-F452 HydrophobicContact CG-CD1 4.34Å; R236-F452 HydrophobicContact CG-CE1 4.1Å; F239-F452 HydrophobicContact CB-CZ 4.06Å; F239-F452 HydrophobicContact CD1-CE1 4.29Å; F239-F452 HydrophobicContact CD1-CE2 4.49Å; F239-F452 AromaticContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CE1-CZ 4.38Å; F239-F452 HydrophobicContact CG-CZ 4.03Å; L265-F452 HydrophobicContact CD1-CD2 3.68Å; L265-F452 HydrophobicContact CD1-CE2 3.95Å; L265-F452 HydrophobicContact CD1-CG 4.5Å; L265-F452 HydrophobicContact CD2-CB 3.74Å; L265-F452 HydrophobicContact CD2-CD1 4.22Å; L265-F452 HydrophobicContact CD2-CD2 3.64Å; L265-F452 HydrophobicContact CD2-CE2 4.3Å; L265-F452 HydrophobicContact CD2-CG 3.6Å; L265-F452 HydrophobicContact CG-CD2 4.29Å; L448-F452 HydrophobicContact CD1-CD2 4.27Å; L448-F452 HydrophobicContact CD1-CE2 3.79Å; L448-F452 WeakPolarHBondContact O-CD2 3.19Å; R449-F452 PolarHBondContact O-N 3.18Å; R449-F452 VanDerWaalsContact O-N 3.16Å; E450-F452 PolarHBondContact O-N 2.98Å; F452-E454 PolarHBondContact O-N 2.78Å; F452-S455 WeakPolarHBondContact O-CB 3.5Å; F452-S455 PolarHBondContact O-N 2.83Å; F452-S455 PolarHBondContact O-OG 3.08Å; F452-L457 HydrophobicContact CD1-CD2 3.94Å; F452-L457 HydrophobicContact CE1-CD2 4.35Å; F452-L463 HydrophobicContact CB-CD1 4.35Å
453E95.5Very high96.6Very high69 Ų6939.8 Ų39.832%0.32220%0.197SC..Hα-helixtrans-60.5-43.8-175-177.7171.9-159.900114.1R449 E450 S455 L463R449-E453 PolarHBondContact O-N 2.95Å; R449-E453 VanDerWaalsContact O-N 3.09Å; E450-E453 PolarHBondContact O-N 3.48Å; E453-S455 PolarHBondContact O-N 2.64Å; E453-L463 VanDerWaalsContact CA-CD2 3.46Å; E453-L463 HydrophobicContact CB-CD2 3.86Å; E453-L463 HydrophobicContact CG-CD2 4.11Å
454E92.8Very high96.7Very high157 Ų15742.2 Ų42.273%0.73421%0.205SC*.THydrogen-bonded Turntrans-80.4-4.5-177.1-60.9-177.3164.500113.2F452F452-E454 PolarHBondContact O-N 2.78Å
455S91.4Very high96.6Very high54 Ų5444 Ų4438%0.37821%0.212SC..THydrogen-bonded Turntrans-82.9-14.4-173.369.80000114.3F452 E453 L457F452-S455 WeakPolarHBondContact O-CB 3.5Å; F452-S455 PolarHBondContact O-N 2.83Å; F452-S455 PolarHBondContact O-OG 3.08Å; E453-S455 PolarHBondContact O-N 2.64Å; S455-L457 PolarHBondContact O-N 2.64Å; S455-L457 WeakPolarHBondContact OG-CB 3.34Å; S455-L457 PolarHBondContact OG-N 2.88Å
456N94.5Very high96.3Very high121 Ų12147.3 Ų47.365%0.64723%0.233SC*.THydrogen-bonded Turntrans49.626.8-168.8-167.639.2000113.3H305 I458H305-N456 PolarHBondContact NE2-O 3.03Å; N456-I458 PolarHBondContact O-N 3.25Å
457L96Very high95.7Very high28 Ų2848.3 Ų48.315%0.14724%0.237CC..  trans-71.4-32.7-172.1-174.965.8000112.1L265 A268 T269 H305 F452 S455L265-L457 HydrophobicContact CD2-CD2 4.2Å; A268-L457 HydrophobicContact CB-CD1 3.6Å; A268-L457 HydrophobicContact CB-CD2 4.18Å; A268-L457 HydrophobicContact CB-CG 3.46Å; A268-L457 VanDerWaalsContact CB-CG 3.46Å; A268-L457 WeakPolarHBondContact CB-O 3.46Å; T269-L457 WeakPolarHBondContact OG1-CD2 3.44Å; H305-L457 PolarHBondContact CD2-O 2.82Å; F452-L457 HydrophobicContact CD1-CD2 3.94Å; F452-L457 HydrophobicContact CE1-CD2 4.35Å; S455-L457 PolarHBondContact O-N 2.64Å; S455-L457 WeakPolarHBondContact OG-CB 3.34Å; S455-L457 PolarHBondContact OG-N 2.88Å
458I98.1Very high95Very high8 Ų851 Ų514%0.04125%0.249CC..SBendtrans-140160.3176.359.8174.1000109.9L261 L265 A268 V302 N456 I462 L463L261-I458 HydrophobicContact CD1-CD1 4.12Å; L265-I458 HydrophobicContact CD2-CD1 3.94Å; L265-I458 HydrophobicContact CD2-CG1 4.45Å; L265-I458 HydrophobicContact CG-CD1 4.28Å; A268-I458 HydrophobicContact CB-CG2 3.71Å; V302-I458 HydrophobicContact CG1-CG2 4.33Å; N456-I458 PolarHBondContact O-N 3.25Å; I458-I462 HydrophobicContact CD1-CG2 4.23Å; I458-L463 HydrophobicContact CD1-CB 4.12Å; I458-L463 HydrophobicContact CD1-CD1 3.95Å; I458-L463 HydrophobicContact CG1-CB 4.17Å; I458-L463 HydrophobicContact CG1-CD1 4.25Å
459P98Very high94.1Very high21 Ų2152.2 Ų52.214%0.13626%0.26CS..  trans-58.2139.5177.6-23.833.9000112.1H305 E461 I462 L463H305-P459 HydrophobicContact CB-CG 3.73Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.68Å; P459-I462 HydrophobicContact CB-CG1 4.14Å; P459-I462 HydrophobicContact CG-CG1 4.27Å; P459-I462 WeakPolarHBondContact O-CA 3.46Å; P459-I462 WeakPolarHBondContact O-CB 3.39Å; P459-I462 PolarHBondContact O-N 2.96Å; P459-L463 PolarHBondContact O-N 3.15Å
460K96.9Very high93.3Very high138 Ų13854.7 Ų54.760%0.627%0.27SS*.Hα-helixtrans-55.7-37.4-179.2-73.1-163.8173.8-159.10113.3I462 L463 W464K460-I462 VanDerWaalsContact C-N 3.26Å; K460-I462 PolarHBondContact O-N 3.35Å; K460-L463 PolarHBondContact O-N 2.93Å; K460-W464 PolarHBondContact O-N 2.76Å
461E96.4Very high92.4Very high112 Ų11252.7 Ų52.752%0.52326%0.263SS..Hα-helixtrans-63.8-29.3176.357.7-178.1-12700113.5K301 P459 R465K301-E461 WeakPolarHBondContact CD-OE1 3.48Å; K301-E461 WeakPolarHBondContact CE-OE1 3.42Å; K301-E461 IonicContact NZ-OE1 2.71Å; K301-E461 PolarHBondContact NZ-OE1 2.86Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.68Å; E461-R465 WeakPolarHBondContact O-CB 3.18Å; E461-R465 PolarHBondContact O-N 3.13Å
462I97.3Very high91.5Very high5 Ų553.2 Ų53.23%0.02627%0.265CS..Hα-helixtrans-81.3-42.7173.1-58.6-60.9000110G259 A298 V302 I458 P459 K460 W464 R465G259-I462 WeakPolarHBondContact O-CG2 3.42Å; A298-I462 HydrophobicContact CB-CD1 3.67Å; V302-I462 HydrophobicContact CG2-CB 4.24Å; V302-I462 HydrophobicContact CG2-CD1 4.35Å; V302-I462 HydrophobicContact CG2-CG1 3.79Å; V302-I462 HydrophobicContact CG2-CG2 3.81Å; I458-I462 HydrophobicContact CD1-CG2 4.23Å; P459-I462 HydrophobicContact CB-CG1 4.14Å; P459-I462 HydrophobicContact CG-CG1 4.27Å; P459-I462 WeakPolarHBondContact O-CA 3.46Å; P459-I462 WeakPolarHBondContact O-CB 3.39Å; P459-I462 PolarHBondContact O-N 2.96Å; K460-I462 VanDerWaalsContact C-N 3.26Å; K460-I462 PolarHBondContact O-N 3.35Å; I462-W464 PolarHBondContact O-N 3.33Å; I462-W464 VanDerWaalsContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.26Å; I462-R465 PolarHBondContact O-N 2.94Å; I462-R465 VanDerWaalsContact O-N 3.1Å
463L97.8Very high90.5Very high4 Ų452.8 Ų52.82%0.02126%0.264CS..Hα-helixtrans-56.7-30.9178.7-175.868.1000112.7L261 R449 F452 E453 I458 P459 K460L261-L463 HydrophobicContact CD1-CD1 3.86Å; R449-L463 HydrophobicContact CB-CD1 4.37Å; R449-L463 HydrophobicContact CB-CG 4.43Å; R449-L463 WeakPolarHBondContact CD-O 3.21Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.44Å; R449-L463 PolarHBondContact NH1-O 2.84Å; F452-L463 HydrophobicContact CB-CD1 4.35Å; E453-L463 VanDerWaalsContact CA-CD2 3.46Å; E453-L463 HydrophobicContact CB-CD2 3.86Å; E453-L463 HydrophobicContact CG-CD2 4.11Å; I458-L463 HydrophobicContact CD1-CB 4.12Å; I458-L463 HydrophobicContact CD1-CD1 3.95Å; I458-L463 HydrophobicContact CG1-CB 4.17Å; I458-L463 HydrophobicContact CG1-CD1 4.25Å; P459-L463 PolarHBondContact O-N 3.15Å; K460-L463 PolarHBondContact O-N 2.93Å
464W96.7Very high89.8Confident74 Ų7449.5 Ų49.528%0.2825%0.248SC..THydrogen-bonded Turntrans-112.613179.2-64.3107.5000113.5I443 R449 E450 K460 I462I443-W464 HydrophobicContact CD1-CE3 3.9Å; I443-W464 WeakPolarHBondContact CD1-O 3.43Å; I443-W464 HydrophobicContact CG2-CE3 4.36Å; I443-W464 HydrophobicContact CG2-CZ3 4.08Å; R449-W464 HydrophobicContact CB-CD2 4.42Å; R449-W464 HydrophobicContact CB-CE3 4.05Å; R449-W464 HydrophobicContact CB-CH2 3.9Å; R449-W464 HydrophobicContact CB-CZ2 4.26Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.4Å; R449-W464 HydrophobicContact CG-CZ3 4.42Å; E450-W464 HydrophobicContact CG-CH2 4.02Å; E450-W464 HydrophobicContact CG-CZ2 4.5Å; K460-W464 PolarHBondContact O-N 2.76Å; I462-W464 PolarHBondContact O-N 3.33Å; I462-W464 VanDerWaalsContact O-N 3.15Å
465R93.2Very high89.3Confident42 Ų4242.5 Ų42.516%0.15822%0.216CC..PPolyproline II helixtrans-68.2129.9173-176.7174172.5177.9-9.3110.3P294 D295 R449 E461 I462 E468P294-R465 PolarHBondContact O-NH1 3.17Å; P294-R465 VanDerWaalsContact O-NH1 3.08Å; D295-R465 IonicContact OD1-NH2 2.8Å; R449-R465 VanDerWaalsContact CZ-O 3.3Å; R449-R465 PolarHBondContact NH1-O 3.23Å; R449-R465 PolarHBondContact NH2-O 3.22Å; E461-R465 WeakPolarHBondContact O-CB 3.18Å; E461-R465 PolarHBondContact O-N 3.13Å; I462-R465 WeakPolarHBondContact O-CB 3.26Å; I462-R465 PolarHBondContact O-N 2.94Å; I462-R465 VanDerWaalsContact O-N 3.1Å; R465-E468 IonicContact CZ-OE1 3.7Å; R465-E468 IonicContact CZ-OE2 3.44Å; R465-E468 IonicContact NE-OE1 3.35Å; R465-E468 PolarHBondContact NE-OE1 3.27Å; R465-E468 IonicContact NH2-OE1 2.61Å; R465-E468 PolarHBondContact NH2-OE1 3.14Å; R465-E468 IonicContact NH2-OE2 2.91Å; R465-E468 PolarHBondContact NH2-OE2 3.23Å
466P91.3Very high88.8Confident71 Ų7140.7 Ų40.746%0.46120%0.204SC..PPolyproline II helixtrans-59.8155.4174.1-24.334.5000113.2E468P466-E468 PolarHBondContact O-N 3.28Å
467K86.4Confident87.9Confident36 Ų3640.8 Ų40.816%0.15721%0.208CC..PPolyproline II helixtrans-63.9123.8-178.5178.861.6168.677.80112.3D368 I375 E444 Y555D368-K467 WeakPolarHBondContact OD1-CE 3.3Å; D368-K467 WeakPolarHBondContact OD2-CE 3.3Å; D368-K467 IonicContact OD2-NZ 2.66Å; I375-K467 HydrophobicContact CD1-CB 4.11Å; E444-K467 HydrophobicContact CG-CB 3.94Å; E444-K467 WeakPolarHBondContact OE1-CB 3.44Å; E444-K467 PolarHBondContact OE1-N 3.07Å; K467-Y555 PolarHBondContact O-OH 3.03Å
468E82.3Confident87.1Confident65 Ų6547.3 Ų47.330%0.30424%0.235SC..  trans-110.2132.7165.7-74.5175.9-136.300110.8R465 P466 Y555R465-E468 IonicContact CZ-OE1 3.7Å; R465-E468 IonicContact CZ-OE2 3.44Å; R465-E468 IonicContact NE-OE1 3.35Å; R465-E468 PolarHBondContact NE-OE1 3.27Å; R465-E468 IonicContact NH2-OE1 2.61Å; R465-E468 PolarHBondContact NH2-OE1 3.14Å; R465-E468 IonicContact NH2-OE2 2.91Å; R465-E468 PolarHBondContact NH2-OE2 3.23Å; P466-E468 PolarHBondContact O-N 3.28Å; E468-Y555 WeakPolarHBondContact CA-OH 3.47Å
469A80Confident86.2Confident26 Ų2649.5 Ų49.522%0.21525%0.247CC..  trans-70.4143.7175.300000110.5S471 D472 G473 Y555A469-S471 PolarHBondContact O-N 3.35Å; A469-D472 HydrophobicContact CB-CB 4.37Å; A469-D472 CarbonylContact O-C 3.5Å; A469-D472 WeakPolarHBondContact O-CA 3.43Å; A469-D472 WeakPolarHBondContact O-CB 3.37Å; A469-D472 PolarHBondContact O-N 3.01Å; A469-G473 PolarHBondContact O-N 3.22Å; A469-Y555 PolarHBondContact N-OH 3.08Å
470F82.2Confident85.5Confident53 Ų5349.2 Ų49.223%0.23225%0.246CC..Hα-helixtrans-56.2-48.8-173.6-178.4-106000112.5I288 A341 D472 G473 I474I288-F470 HydrophobicContact CG2-CE2 4.48Å; I288-F470 HydrophobicContact CG2-CZ 3.87Å; A341-F470 HydrophobicContact CB-CD1 4.01Å; A341-F470 WeakPolarHBondContact O-CD1 3.25Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å; F470-D472 PolarHBondContact O-N 3.29Å; F470-G473 PolarHBondContact O-N 3.01Å; F470-I474 HydrophobicContact CD1-CG2 4.45Å; F470-I474 HydrophobicContact CD2-CG2 4.04Å; F470-I474 HydrophobicContact CE1-CD1 4.26Å; F470-I474 HydrophobicContact CE1-CG2 4.13Å; F470-I474 HydrophobicContact CE2-CG2 3.69Å; F470-I474 HydrophobicContact CG-CG2 4.42Å; F470-I474 HydrophobicContact CZ-CG2 3.75Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 WeakPolarHBondContact O-CG2 3.25Å; F470-I474 PolarHBondContact O-N 2.84Å; F470-I474 VanDerWaalsContact O-N 3.14Å
471S77.8Confident85.1Confident14 Ų1442.7 Ų42.710%0.09822%0.218CC..Hα-helixtrans-61.5-18.8177.5580000114A469 T475A469-S471 PolarHBondContact O-N 3.35Å; S471-T475 WeakPolarHBondContact O-CG2 3.15Å
472D78.8Confident84.6Confident11 Ų1139.6 Ų39.66%0.05920%0.202CC..Hα-helixtrans-93.2-39.7178.3-65.6-32.6000112.1A469 F470 T475 R550A469-D472 HydrophobicContact CB-CB 4.37Å; A469-D472 CarbonylContact O-C 3.5Å; A469-D472 WeakPolarHBondContact O-CA 3.43Å; A469-D472 WeakPolarHBondContact O-CB 3.37Å; A469-D472 PolarHBondContact O-N 3.01Å; F470-D472 PolarHBondContact O-N 3.29Å; D472-T475 WeakPolarHBondContact O-CB 3.34Å; D472-T475 WeakPolarHBondContact O-CG2 3.3Å; D472-T475 PolarHBondContact O-N 2.9Å; D472-T475 PolarHBondContact O-OG1 2.9Å; D472-R550 PolarHBondContact O-NH2 2.92Å; D472-R550 IonicContact OD1-CZ 3Å; D472-R550 IonicContact OD1-NE 2.78Å; D472-R550 PolarHBondContact OD1-NE 2.95Å; D472-R550 IonicContact OD1-NH2 3.14Å
473G76.7Confident84.1Confident0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-71.8-27.5-179.500000113.8S293 P294 D295 A469 F470 T475S293-G473 WeakPolarHBondContact CB-O 3.38Å; S293-G473 PolarHBondContact OG-O 3.46Å; P294-G473 WeakPolarHBondContact CD-O 3.38Å; D295-G473 WeakPolarHBondContact CB-O 3.43Å; D295-G473 PolarHBondContact N-O 3.09Å; D295-G473 WeakPolarHBondContact OD1-CA 3.36Å; D295-G473 VanDerWaalsContact OD2-CA 3.3Å; D295-G473 WeakPolarHBondContact OD2-CA 3.49Å; A469-G473 PolarHBondContact O-N 3.22Å; F470-G473 PolarHBondContact O-N 3.01Å; G473-T475 PolarHBondContact O-N 3.42Å
474I82.2Confident83.8Confident0 Ų045 Ų450%023%0.226CC..THydrogen-bonded Turntrans-75.80.7174.969.6175.4000113.9I288 G289 M290 F315 F470I288-I474 VanDerWaalsContact O-CG2 3.23Å; I288-I474 WeakPolarHBondContact O-CG2 3.47Å; G289-I474 CarbonylContact C-O 3.48Å; G289-I474 WeakPolarHBondContact CA-O 3.19Å; M290-I474 PolarHBondContact N-O 3.4Å; F315-I474 HydrophobicContact CE1-CB 4.34Å; F315-I474 HydrophobicContact CE1-CD1 4.05Å; F315-I474 HydrophobicContact CE1-CG1 4.34Å; F315-I474 HydrophobicContact CZ-CD1 4.01Å; F315-I474 HydrophobicContact CZ-CG1 4.43Å; F470-I474 HydrophobicContact CD1-CG2 4.45Å; F470-I474 HydrophobicContact CD2-CG2 4.04Å; F470-I474 HydrophobicContact CE1-CD1 4.26Å; F470-I474 HydrophobicContact CE1-CG2 4.13Å; F470-I474 HydrophobicContact CE2-CG2 3.69Å; F470-I474 HydrophobicContact CG-CG2 4.42Å; F470-I474 HydrophobicContact CZ-CG2 3.75Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 WeakPolarHBondContact O-CG2 3.25Å; F470-I474 PolarHBondContact O-N 2.84Å; F470-I474 VanDerWaalsContact O-N 3.14Å
475T81.8Confident83.6Confident9 Ų941.4 Ų41.46%0.05521%0.213CC..SBendtrans-90.7147-171.971.40000113.7S293 P294 S471 D472 G473 W481 R550S293-T475 WeakPolarHBondContact CA-O 3.38Å; S293-T475 VanDerWaalsContact CB-O 3.24Å; S293-T475 WeakPolarHBondContact CB-O 3.43Å; P294-T475 WeakPolarHBondContact CD-O 3.35Å; S471-T475 WeakPolarHBondContact O-CG2 3.15Å; D472-T475 WeakPolarHBondContact O-CB 3.34Å; D472-T475 WeakPolarHBondContact O-CG2 3.3Å; D472-T475 PolarHBondContact O-N 2.9Å; D472-T475 PolarHBondContact O-OG1 2.9Å; G473-T475 PolarHBondContact O-N 3.42Å; T475-W481 HydrophobicContact CG2-CB 3.53Å; T475-R550 PolarHBondContact OG1-NH2 3.41Å
476S80.8Confident83.5Confident17 Ų1742 Ų4212%0.11922%0.217CC..  trans-68.8144.5171.5-175.40000110E291 K478 N479E291-S476 WeakPolarHBondContact O-CB 3.48Å; E291-S476 PolarHBondContact O-OG 3.23Å; S476-K478 PolarHBondContact O-N 3.47Å; S476-K478 PolarHBondContact OG-N 2.86Å; S476-N479 CarbonylContact O-C 3.58Å
477V76.1Confident83.6Confident122 Ų12242.7 Ų42.774%0.73921%0.214SC*.SBendtrans-61.1-27.9173.7-175.10000111.4
478K77.9Confident84Confident165 Ų16544 Ų4472%0.71722%0.219SC*.SBendtrans-81.3-44-177.4-64.1172.2-173.3154.40112.8D292 S476D292-K478 IonicContact OD2-NZ 3.73Å; S476-K478 PolarHBondContact O-N 3.47Å; S476-K478 PolarHBondContact OG-N 2.86Å
479N79.6Confident84.6Confident54 Ų5441 Ų4129%0.28920%0.204SC..SBendtrans-144.6121.6178.7-1639.6000110.5S476 I484S476-N479 CarbonylContact O-C 3.58Å; N479-I484 HydrophobicContact CB-CD1 4.29Å; N479-I484 VanDerWaalsContact ND2-CG1 3.29Å; N479-I484 WeakPolarHBondContact ND2-CG1 3.46Å
480S84Confident85.4Confident16 Ų1644.6 Ų44.611%0.11222%0.217CC..  trans-82144.6-174.468.10000112.5F482 K483 I484 R550S480-F482 VanDerWaalsContact C-N 3.25Å; S480-F482 PolarHBondContact O-N 3.24Å; S480-K483 PolarHBondContact O-N 2.97Å; S480-K483 WeakPolarHBondContact OG-CB 3.21Å; S480-K483 PolarHBondContact OG-N 2.91Å; S480-K483 VanDerWaalsContact OG-N 3.16Å; S480-I484 WeakPolarHBondContact O-CG1 3.33Å; S480-I484 PolarHBondContact O-N 2.98Å; S480-R550 PolarHBondContact OG-NH1 2.85Å
481W87.4Confident86Confident1 Ų149.9 Ų49.90%0.00424%0.242CC..Hα-helixtrans-51.3-43.5173177.5-129.8000112.9M290 F315 I321 R340 V343 T475 K483 I484 L485M290-W481 HydrophobicContact CE-CB 4.15Å; M290-W481 HydrophobicContact CE-CD2 4.41Å; M290-W481 HydrophobicContact CE-CE3 3.71Å; F315-W481 HydrophobicContact CE2-CD2 4.42Å; F315-W481 HydrophobicContact CE2-CE3 4.24Å; I321-W481 HydrophobicContact CG1-CH2 4.09Å; I321-W481 HydrophobicContact CG1-CZ3 4.13Å; R340-W481 PolarHBondContact O-NE1 2.67Å; V343-W481 HydrophobicContact CB-CZ2 4.17Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.98Å; V343-W481 HydrophobicContact CG2-CZ2 4.05Å; T475-W481 HydrophobicContact CG2-CB 3.53Å; W481-K483 PolarHBondContact O-N 3.33Å; W481-I484 HydrophobicContact CE3-CB 4.42Å; W481-I484 HydrophobicContact CE3-CG2 4.17Å; W481-I484 HydrophobicContact CZ3-CG2 4.07Å; W481-I484 PolarHBondContact O-N 2.94Å; W481-L485 HydrophobicContact CD2-CD1 4.03Å; W481-L485 HydrophobicContact CD2-CG 4.08Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.31Å; W481-L485 HydrophobicContact CG-CD1 4.34Å; W481-L485 HydrophobicContact CH2-CD1 4.41Å; W481-L485 HydrophobicContact CH2-CD2 3.66Å; W481-L485 HydrophobicContact CH2-CG 3.93Å; W481-L485 HydrophobicContact CZ2-CD1 3.69Å; W481-L485 HydrophobicContact CZ2-CD2 3.62Å; W481-L485 HydrophobicContact CZ2-CG 3.71Å; W481-L485 HydrophobicContact CZ3-CD2 4.33Å; W481-L485 HydrophobicContact CZ3-CG 4.25Å; W481-L485 WeakPolarHBondContact O-CG 3.48Å; W481-L485 PolarHBondContact O-N 2.78Å
482F86.3Confident86.9Confident47 Ų4753.3 Ų53.321%0.20626%0.257CS..Hα-helixtrans-55.4-49173.6166.1-100.2000112.5S480 L485 Q486S480-F482 VanDerWaalsContact C-N 3.25Å; S480-F482 PolarHBondContact O-N 3.24Å; F482-L485 WeakPolarHBondContact O-CB 3.31Å; F482-L485 PolarHBondContact O-N 2.81Å; F482-Q486 HydrophobicContact CD1-CG 4.42Å; F482-Q486 HydrophobicContact CD2-CG 4.4Å; F482-Q486 HydrophobicContact CE1-CG 3.93Å; F482-Q486 HydrophobicContact CE2-CG 3.92Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.26Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.35Å; F482-Q486 PolarHBondContact O-N 3.47Å
483K88Confident87.8Confident104 Ų10452.9 Ų52.945%0.45225%0.254SS..Hα-helixtrans-65.8-41.6-179.4-171.3-176.7-178.9-133.30111.8S480 W481 L485 Q486 E487S480-K483 PolarHBondContact O-N 2.97Å; S480-K483 WeakPolarHBondContact OG-CB 3.21Å; S480-K483 PolarHBondContact OG-N 2.91Å; S480-K483 VanDerWaalsContact OG-N 3.16Å; W481-K483 PolarHBondContact O-N 3.33Å; K483-L485 VanDerWaalsContact C-N 3.3Å; K483-L485 PolarHBondContact O-N 3.12Å; K483-Q486 PolarHBondContact O-N 2.89Å; K483-E487 WeakPolarHBondContact CE-OE1 3.14Å; K483-E487 HydrophobicContact CG-CG 4.49Å; K483-E487 IonicContact NZ-OE1 2.85Å; K483-E487 PolarHBondContact NZ-OE1 2.78Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 2.96Å
484I91.1Very high88.8Confident17 Ų1757 Ų579%0.08728%0.276CS..Hα-helixtrans-58.2-44.8174.6-71.5159.3000110.5M290 I321 N479 S480 W481 E487 Y488M290-I484 HydrophobicContact CE-CD1 3.63Å; M290-I484 HydrophobicContact SD-CD1 4.07Å; I321-I484 HydrophobicContact CD1-CG2 3.95Å; N479-I484 HydrophobicContact CB-CD1 4.29Å; N479-I484 VanDerWaalsContact ND2-CG1 3.29Å; N479-I484 WeakPolarHBondContact ND2-CG1 3.46Å; S480-I484 WeakPolarHBondContact O-CG1 3.33Å; S480-I484 PolarHBondContact O-N 2.98Å; W481-I484 HydrophobicContact CE3-CB 4.42Å; W481-I484 HydrophobicContact CE3-CG2 4.17Å; W481-I484 HydrophobicContact CZ3-CG2 4.07Å; W481-I484 PolarHBondContact O-N 2.94Å; I484-E487 PolarHBondContact O-N 3.02Å; I484-Y488 WeakPolarHBondContact O-CB 3.44Å; I484-Y488 PolarHBondContact O-N 3.48Å
485L91.1Very high89.5Confident0 Ų062.5 Ų62.50%031%0.306CS..Hα-helixtrans-61.8-45.5174.5-76.8170.7000111.7L324 R340 W481 F482 K483 Y488 V489 Y518L324-L485 HydrophobicContact CD1-CD2 3.86Å; L324-L485 HydrophobicContact CD2-CD2 4.37Å; R340-L485 HydrophobicContact CG-CD1 3.95Å; W481-L485 HydrophobicContact CD2-CD1 4.03Å; W481-L485 HydrophobicContact CD2-CG 4.08Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.31Å; W481-L485 HydrophobicContact CG-CD1 4.34Å; W481-L485 HydrophobicContact CH2-CD1 4.41Å; W481-L485 HydrophobicContact CH2-CD2 3.66Å; W481-L485 HydrophobicContact CH2-CG 3.93Å; W481-L485 HydrophobicContact CZ2-CD1 3.69Å; W481-L485 HydrophobicContact CZ2-CD2 3.62Å; W481-L485 HydrophobicContact CZ2-CG 3.71Å; W481-L485 HydrophobicContact CZ3-CD2 4.33Å; W481-L485 HydrophobicContact CZ3-CG 4.25Å; W481-L485 WeakPolarHBondContact O-CG 3.48Å; W481-L485 PolarHBondContact O-N 2.78Å; F482-L485 WeakPolarHBondContact O-CB 3.31Å; F482-L485 PolarHBondContact O-N 2.81Å; K483-L485 VanDerWaalsContact C-N 3.3Å; K483-L485 PolarHBondContact O-N 3.12Å; L485-Y488 PolarHBondContact O-N 2.92Å; L485-V489 WeakPolarHBondContact O-CG1 3.09Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.96Å; L485-Y518 WeakPolarHBondContact CD1-OH 3.32Å
486Q91.1Very high90.3Very high53 Ų5365.4 Ų65.425%0.24833%0.331CS..Hα-helixtrans-58.4-49.7176.7-64.8-40.1-67.500111.7F482 K483 Y488 V489 E490 E514F482-Q486 HydrophobicContact CD1-CG 4.42Å; F482-Q486 HydrophobicContact CD2-CG 4.4Å; F482-Q486 HydrophobicContact CE1-CG 3.93Å; F482-Q486 HydrophobicContact CE2-CG 3.92Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.26Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.35Å; F482-Q486 PolarHBondContact O-N 3.47Å; K483-Q486 PolarHBondContact O-N 2.89Å; Q486-Y488 VanDerWaalsContact C-N 3.29Å; Q486-Y488 PolarHBondContact O-N 3.31Å; Q486-V489 WeakPolarHBondContact O-CG2 3.47Å; Q486-V489 PolarHBondContact O-N 2.63Å; Q486-E490 WeakPolarHBondContact O-CB 3.16Å; Q486-E490 PolarHBondContact O-N 2.86Å; Q486-E514 PolarHBondContact NE2-OE2 2.77Å
487E93.7Very high91.1Very high87 Ų8766.5 Ų66.541%0.40733%0.334SS..Hα-helixtrans-59.4-42.1179.3-72.6171.9-174.400110.9K483 I484 H491K483-E487 WeakPolarHBondContact CE-OE1 3.14Å; K483-E487 HydrophobicContact CG-CG 4.49Å; K483-E487 IonicContact NZ-OE1 2.85Å; K483-E487 PolarHBondContact NZ-OE1 2.78Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 2.96Å; I484-E487 PolarHBondContact O-N 3.02Å; E487-H491 PolarHBondContact O-CD2 2.85Å
488Y95.6Very high92.2Very high64 Ų6462.7 Ų62.725%0.25131%0.309SS..Hα-helixtrans-65.5-50.7177.3177.1-104.7000112.6I321 I484 L485 Q486 E490 H491 Q492 Y517I321-Y488 HydrophobicContact CD1-CD2 4.02Å; I321-Y488 HydrophobicContact CD1-CG 3.96Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 4.03Å; I321-Y488 HydrophobicContact CG2-CD2 3.96Å; I321-Y488 HydrophobicContact CG2-CE1 3.68Å; I321-Y488 HydrophobicContact CG2-CE2 3.63Å; I321-Y488 HydrophobicContact CG2-CG 4.15Å; I321-Y488 VanDerWaalsContact CG2-CZ 3.47Å; I484-Y488 WeakPolarHBondContact O-CB 3.44Å; I484-Y488 PolarHBondContact O-N 3.48Å; L485-Y488 PolarHBondContact O-N 2.92Å; Q486-Y488 VanDerWaalsContact C-N 3.29Å; Q486-Y488 PolarHBondContact O-N 3.31Å; Y488-E490 VanDerWaalsContact C-N 3.29Å; Y488-E490 PolarHBondContact O-N 3.04Å; Y488-H491 PolarHBondContact O-N 2.89Å; Y488-Q492 HydrophobicContact CD1-CG 4.33Å; Y488-Q492 HydrophobicContact CE1-CG 3.97Å; Y488-Q492 HydrophobicContact CE2-CG 4.42Å; Y488-Q492 WeakPolarHBondContact O-CG 3.44Å; Y488-Y517 HydrophobicContact CD1-CE1 4.48Å; Y488-Y517 AromaticContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE2 4.3Å; Y488-Y517 AromaticContact CE1-CZ 3.58Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.44Å; Y488-Y517 PolarHBondContact OH-OH 3.18Å
489V95.7Very high93.1Very high0 Ų059.1 Ų59.10%031%0.31CS..Hα-helixtrans-70.5-24.5-175.8-590000113.2L485 Q486 H491 Q492 V493 K513 E514 Y517L485-V489 WeakPolarHBondContact O-CG1 3.09Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.96Å; Q486-V489 WeakPolarHBondContact O-CG2 3.47Å; Q486-V489 PolarHBondContact O-N 2.63Å; V489-H491 PolarHBondContact O-N 3.47Å; V489-Q492 PolarHBondContact O-N 2.75Å; V489-V493 PolarHBondContact O-N 2.85Å; V489-K513 HydrophobicContact CG2-CB 4.2Å; V489-E514 HydrophobicContact CG2-CB 4.13Å; V489-Y517 HydrophobicContact CG1-CD1 3.86Å; V489-Y517 HydrophobicContact CG1-CG 3.89Å
490E95Very high94Very high103 Ų10359.6 Ų59.648%0.48131%0.313SS..Hα-helixtrans-58.2-32.8173.5-167.361.2-148.100111.7Q486 Y488 K513Q486-E490 WeakPolarHBondContact O-CB 3.16Å; Q486-E490 PolarHBondContact O-N 2.86Å; Y488-E490 VanDerWaalsContact C-N 3.29Å; Y488-E490 PolarHBondContact O-N 3.04Å; E490-K513 VanDerWaalsContact CD-NZ 3.35Å; E490-K513 IonicContact OE1-NZ 3.98Å; E490-K513 PolarHBondContact OE1-NZ 2.81Å; E490-K513 VanDerWaalsContact OE2-CD 3.28Å; E490-K513 WeakPolarHBondContact OE2-CD 3.3Å; E490-K513 IonicContact OE2-NZ 2.65Å
491H95.4Very high94.7Very high163 Ų16359 Ų5976%0.75531%0.309SS*.THydrogen-bonded Turntrans-85.7-10.6175.7-65.8-64.8000114.1E487 Y488 V489E487-H491 PolarHBondContact O-CD2 2.85Å; Y488-H491 PolarHBondContact O-N 2.89Å; V489-H491 PolarHBondContact O-N 3.47Å
492Q97.2Very high95.2Very high87 Ų8761.9 Ų61.941%0.40733%0.333SS..THydrogen-bonded Turntrans-103.1-25.5-177.4-57.7-57.8-4900113.4Y488 V489 Y517Y488-Q492 HydrophobicContact CD1-CG 4.33Å; Y488-Q492 HydrophobicContact CE1-CG 3.97Å; Y488-Q492 HydrophobicContact CE2-CG 4.42Å; Y488-Q492 WeakPolarHBondContact O-CG 3.44Å; V489-Q492 PolarHBondContact O-N 2.75Å; Q492-Y517 HydrophobicContact CB-CD2 3.69Å; Q492-Y517 HydrophobicContact CB-CE2 3.74Å; Q492-Y517 HydrophobicContact CG-CD2 4.17Å; Q492-Y517 HydrophobicContact CG-CE2 3.78Å
493V97.9Very high95.8Very high1 Ų167.3 Ų67.31%0.00636%0.359CS..SBendtrans-127.5110-176.9-177.30000109.2V489 M497 M498 K513 Y516 Y517V489-V493 PolarHBondContact O-N 2.85Å; V493-M497 HydrophobicContact CB-CE 4.33Å; V493-M497 HydrophobicContact CG1-CB 3.94Å; V493-M497 HydrophobicContact CG1-CE 4.11Å; V493-M497 HydrophobicContact CG1-SD 4.47Å; V493-M497 HydrophobicContact CG2-CE 4.17Å; V493-M498 HydrophobicContact CG1-CG 3.94Å; V493-M498 HydrophobicContact CG1-SD 4.12Å; V493-K513 HydrophobicContact CB-CB 4.06Å; V493-K513 HydrophobicContact CB-CD 4.48Å; V493-K513 HydrophobicContact CB-CG 4.08Å; V493-K513 HydrophobicContact CG1-CB 4.25Å; V493-K513 HydrophobicContact CG1-CG 3.96Å; V493-K513 WeakPolarHBondContact O-CD 3.45Å; V493-K513 WeakPolarHBondContact O-CE 3.26Å; V493-K513 PolarHBondContact O-NZ 3.49Å; V493-Y516 HydrophobicContact CG1-CD1 3.84Å; V493-Y516 HydrophobicContact CG1-CE1 4.39Å; V493-Y516 HydrophobicContact CG1-CG 3.92Å; V493-Y516 HydrophobicContact CG2-CD1 3.96Å; V493-Y517 HydrophobicContact CG2-CD2 4.43Å
494D97.6Very high96.3Very high87 Ų8767.1 Ų67.147%0.46536%0.358SS..  trans-81.1169.4176.768.842.7000112.8A496 M497 M498D494-A496 VanDerWaalsContact C-N 3.26Å; D494-A496 PolarHBondContact O-N 2.84Å; D494-A496 WeakPolarHBondContact OD1-CA 3.35Å; D494-A496 WeakPolarHBondContact OD1-CB 3.43Å; D494-A496 PolarHBondContact OD1-N 3.47Å; D494-M497 WeakPolarHBondContact O-CB 3.35Å; D494-M497 PolarHBondContact O-N 3.45Å; D494-M497 WeakPolarHBondContact OD1-CG 3.39Å; D494-M497 PolarHBondContact OD1-N 3.05Å; D494-M498 PolarHBondContact O-N 2.7Å
495D97.4Very high96.6Very high116 Ų11666.9 Ų66.962%0.6236%0.356SS*.Hα-helixtrans-67.5-26.3-177.9-69.3-3.3000112.6M498 A499 K513D495-M498 PolarHBondContact O-N 3.2Å; D495-A499 WeakPolarHBondContact O-CB 3.4Å; D495-A499 PolarHBondContact O-N 2.96Å; D495-K513 WeakPolarHBondContact OD1-CE 3.36Å; D495-K513 IonicContact OD1-NZ 2.75Å; D495-K513 PolarHBondContact OD1-NZ 2.85Å
496A97.9Very high97Very high70 Ų7071.8 Ų71.858%0.57939%0.388SS*.Hα-helixtrans-71.5-38.5176.100000111.1D494 A499 N500D494-A496 VanDerWaalsContact C-N 3.26Å; D494-A496 PolarHBondContact O-N 2.84Å; D494-A496 WeakPolarHBondContact OD1-CA 3.35Å; D494-A496 WeakPolarHBondContact OD1-CB 3.43Å; D494-A496 PolarHBondContact OD1-N 3.47Å; A496-A499 PolarHBondContact O-N 3.36Å; A496-N500 WeakPolarHBondContact O-CB 3.29Å; A496-N500 PolarHBondContact O-N 2.76Å
497M98.2Very high97.3Very high39 Ų3973.6 Ų73.619%0.19240%0.395CS..Hα-helixtrans-59.5-46.5171.7-70.6170.864.400110.9V493 D494 N500 A501 Y516V493-M497 HydrophobicContact CB-CE 4.33Å; V493-M497 HydrophobicContact CG1-CB 3.94Å; V493-M497 HydrophobicContact CG1-CE 4.11Å; V493-M497 HydrophobicContact CG1-SD 4.47Å; V493-M497 HydrophobicContact CG2-CE 4.17Å; D494-M497 WeakPolarHBondContact O-CB 3.35Å; D494-M497 PolarHBondContact O-N 3.45Å; D494-M497 WeakPolarHBondContact OD1-CG 3.39Å; D494-M497 PolarHBondContact OD1-N 3.05Å; M497-N500 CarbonylContact O-C 3.51Å; M497-N500 PolarHBondContact O-N 3.14Å; M497-A501 PolarHBondContact O-N 2.63Å; M497-A501 VanDerWaalsContact O-N 3.12Å; M497-Y516 HydrophobicContact CB-CE1 4.25Å; M497-Y516 HydrophobicContact CB-CE2 4.32Å; M497-Y516 HydrophobicContact CE-CD1 4.06Å; M497-Y516 HydrophobicContact CE-CE1 3.4Å; M497-Y516 WeakPolarHBondContact O-CE2 3.43Å
498M98Very high97.5Very high42 Ų4271.4 Ų71.421%0.20739%0.386CS..Hα-helixtrans-64.6-43.7176.7-77.3-56.4-58.600112.6V493 D494 D495 N500 A501 K513 Y516V493-M498 HydrophobicContact CG1-CG 3.94Å; V493-M498 HydrophobicContact CG1-SD 4.12Å; D494-M498 PolarHBondContact O-N 2.7Å; D495-M498 PolarHBondContact O-N 3.2Å; M498-N500 PolarHBondContact O-N 2.98Å; M498-A501 WeakPolarHBondContact O-CB 3.31Å; M498-A501 PolarHBondContact O-N 3.1Å; M498-K513 HydrophobicContact CG-CG 3.62Å; M498-K513 HydrophobicContact SD-CG 4.07Å; M498-Y516 HydrophobicContact SD-CD2 3.77Å; M498-Y516 HydrophobicContact SD-CG 4.07Å
499A98Very high97.6Very high90 Ų9070.4 Ų70.474%0.74439%0.387SS*.Hα-helixtrans-59.9-31.2175.600000112.2D495 A496D495-A499 WeakPolarHBondContact O-CB 3.4Å; D495-A499 PolarHBondContact O-N 2.96Å; A496-A499 PolarHBondContact O-N 3.36Å
500N98.1Very high97.6Very high65 Ų6570.6 Ų70.635%0.34839%0.388SS..THydrogen-bonded Turntrans-92.35.2178-161.240000114.2A496 M497 M498 A502 Q503 K504A496-N500 WeakPolarHBondContact O-CB 3.29Å; A496-N500 PolarHBondContact O-N 2.76Å; M497-N500 CarbonylContact O-C 3.51Å; M497-N500 PolarHBondContact O-N 3.14Å; M498-N500 PolarHBondContact O-N 2.98Å; N500-A502 VanDerWaalsContact C-N 3.35Å; N500-A502 PolarHBondContact O-N 3.29Å; N500-Q503 PolarHBondContact O-N 2.97Å; N500-Q503 VanDerWaalsContact O-N 3.16Å; N500-Q503 WeakPolarHBondContact OD1-CB 3.32Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.46Å; N500-Q503 PolarHBondContact OD1-OE1 3.02Å; N500-K504 PolarHBondContact O-N 2.83Å; N500-K504 VanDerWaalsContact O-N 3.09Å
501A98.2Very high97.6Very high3 Ų374.2 Ų74.23%0.02540%0.402CS..Hα-helixtrans-59.8-41.2-172.100000113.1M497 M498 Q503 K504 F505 T509 P510 Y516M497-A501 PolarHBondContact O-N 2.63Å; M497-A501 VanDerWaalsContact O-N 3.12Å; M498-A501 WeakPolarHBondContact O-CB 3.31Å; M498-A501 PolarHBondContact O-N 3.1Å; A501-Q503 VanDerWaalsContact C-N 3.29Å; A501-Q503 PolarHBondContact O-N 3.36Å; A501-K504 PolarHBondContact O-N 3.3Å; A501-F505 CarbonylContact O-C 3.59Å; A501-F505 WeakPolarHBondContact O-CA 3.29Å; A501-F505 PolarHBondContact O-N 3.4Å; A501-T509 HydrophobicContact CB-CG2 3.9Å; A501-P510 HydrophobicContact CB-CG 4.25Å; A501-Y516 HydrophobicContact CB-CD2 3.81Å; A501-Y516 HydrophobicContact CB-CE2 3.75Å
502A98.1Very high97.6Very high61 Ų6167.9 Ų67.950%0.50438%0.375SS..Hα-helixtrans-66.8-29.5-179.800000113.1N500 P506 T509N500-A502 VanDerWaalsContact C-N 3.35Å; N500-A502 PolarHBondContact O-N 3.29Å; A502-P506 VanDerWaalsContact O-CA 3.3Å; A502-P506 WeakPolarHBondContact O-CA 3.49Å; A502-T509 HydrophobicContact CB-CG2 4.03Å
503Q98.2Very high97.6Very high162 Ų16265 Ų6576%0.75736%0.361SS*.Hα-helixtrans-77.4-41.3175.9-57.9-172.51300111.1N500 A501N500-Q503 PolarHBondContact O-N 2.97Å; N500-Q503 VanDerWaalsContact O-N 3.16Å; N500-Q503 WeakPolarHBondContact OD1-CB 3.32Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.46Å; N500-Q503 PolarHBondContact OD1-OE1 3.02Å; A501-Q503 VanDerWaalsContact C-N 3.29Å; A501-Q503 PolarHBondContact O-N 3.36Å
504K98.3Very high97.5Very high100 Ų10065 Ų6544%0.43536%0.361SS..Hα-helixtrans-75.8-39.4-178.5-167.3-179.1-175.1174.30112.9N500 A501 Y516N500-K504 PolarHBondContact O-N 2.83Å; N500-K504 VanDerWaalsContact O-N 3.09Å; A501-K504 PolarHBondContact O-N 3.3Å; K504-Y516 WeakPolarHBondContact CD-OH 3.49Å; K504-Y516 PolarHBondContact NZ-OH 3.03Å
505F98.4Very high97.5Very high11 Ų1160.8 Ų60.85%0.04834%0.339CS..  trans-126.974.8-177.7-54.2-51.1000109.5A501 F507 T509 P510 Y516 R519 Q520 E523A501-F505 CarbonylContact O-C 3.59Å; A501-F505 WeakPolarHBondContact O-CA 3.29Å; A501-F505 PolarHBondContact O-N 3.4Å; F505-F507 VanDerWaalsContact C-N 3.32Å; F505-F507 PolarHBondContact O-N 2.76Å; F505-T509 WeakPolarHBondContact O-CA 3.16Å; F505-T509 WeakPolarHBondContact O-CB 3.17Å; F505-T509 PolarHBondContact O-OG1 2.82Å; F505-P510 HydrophobicContact CD2-CG 3.9Å; F505-Y516 HydrophobicContact CD2-CD2 4.25Å; F505-Y516 HydrophobicContact CD2-CE2 4.04Å; F505-Y516 HydrophobicContact CE2-CD1 4.1Å; F505-Y516 HydrophobicContact CE2-CD2 4.09Å; F505-Y516 AromaticContact CE2-CE1 3.79Å; F505-Y516 HydrophobicContact CE2-CE1 3.79Å; F505-Y516 AromaticContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CG 4.23Å; F505-Y516 AromaticContact CE2-CZ 3.66Å; F505-Y516 HydrophobicContact CZ-CE1 4.49Å; F505-R519 HydrophobicContact CD1-CG 3.93Å; F505-R519 HydrophobicContact CD2-CG 3.91Å; F505-R519 HydrophobicContact CE1-CG 4.05Å; F505-R519 HydrophobicContact CE2-CB 4.42Å; F505-R519 HydrophobicContact CE2-CG 3.99Å; F505-R519 HydrophobicContact CG-CG 3.86Å; F505-R519 HydrophobicContact CZ-CG 4.06Å; F505-Q520 HydrophobicContact CE2-CG 4.25Å; F505-Q520 HydrophobicContact CZ-CG 3.96Å; F505-E523 HydrophobicContact CD1-CG 4.25Å; F505-E523 HydrophobicContact CE1-CB 4.41Å; F505-E523 HydrophobicContact CE1-CG 3.8Å
506P98.1Very high97.5Very high103 Ų10355.4 Ų55.467%0.66931%0.31SS*.  trans-68.3-31-175.726.6-34.9000112.9A502A502-P506 VanDerWaalsContact O-CA 3.3Å; A502-P506 WeakPolarHBondContact O-CA 3.49Å
507F98.1Very high97.5Very high92 Ų9253.5 Ų53.540%0.40429%0.288SS..SBendtrans-88.6129.1172.7-174.9-91.6000110.5F505 T509 R519 A530 D531 L533F505-F507 VanDerWaalsContact C-N 3.32Å; F505-F507 PolarHBondContact O-N 2.76Å; F507-T509 VanDerWaalsContact C-N 3.33Å; F507-T509 PolarHBondContact O-N 3.5Å; F507-R519 PolarHBondContact O-NH1 3.19Å; F507-R519 PolarHBondContact O-NH2 3.38Å; F507-A530 HydrophobicContact CD1-CB 3.88Å; F507-A530 VanDerWaalsContact CE1-O 3.32Å; F507-A530 WeakPolarHBondContact CE1-O 3.36Å; F507-D531 HydrophobicContact CE1-CB 4.37Å; F507-D531 HydrophobicContact CZ-CB 4.31Å; F507-L533 WeakPolarHBondContact CE1-O 3.43Å
508N97.1Very high97.6Very high40 Ų4051.7 Ų51.721%0.21428%0.279CS..SBendtrans46.654.2-177.6-78.9-13.5000112.9Y334 R519 L533 S534 Y536Y334-N508 HydrophobicContact CE2-CB 4.02Å; Y334-N508 VanDerWaalsContact OH-CB 3.32Å; Y334-N508 WeakPolarHBondContact OH-CB 3.35Å; Y334-N508 PolarHBondContact OH-ND2 3.07Å; Y334-N508 VanDerWaalsContact OH-ND2 3.16Å; N508-R519 PolarHBondContact O-NH1 2.72Å; N508-L533 PolarHBondContact ND2-O 3.05Å; N508-S534 PolarHBondContact ND2-O 3.17Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å; N508-Y536 HydrophobicContact CB-CE2 3.99Å; N508-Y536 WeakPolarHBondContact O-CE2 3.37Å; N508-Y536 PolarHBondContact O-OH 3.16Å; N508-Y536 VanDerWaalsContact O-OH 3.12Å
509T98.1Very high97.6Very high44 Ų4449.9 Ų49.927%0.2727%0.27SS..  trans-52.5124.7-178.6-550000111A501 A502 F505 F507 K511A501-T509 HydrophobicContact CB-CG2 3.9Å; A502-T509 HydrophobicContact CB-CG2 4.03Å; F505-T509 WeakPolarHBondContact O-CA 3.16Å; F505-T509 WeakPolarHBondContact O-CB 3.17Å; F505-T509 PolarHBondContact O-OG1 2.82Å; F507-T509 VanDerWaalsContact C-N 3.33Å; F507-T509 PolarHBondContact O-N 3.5Å; T509-K511 PolarHBondContact O-N 3.24Å
510P96.8Very high97.6Very high4 Ų448.2 Ų48.23%0.02625%0.246CC..  trans-65134.7179.226.9-34000110.6A501 F505 G515 Y516A501-P510 HydrophobicContact CB-CG 4.25Å; F505-P510 HydrophobicContact CD2-CG 3.9Å; P510-G515 VanDerWaalsContact CB-C 3.45Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.7Å; P510-Y516 HydrophobicContact CG-CG 4.08Å
511K95Very high97.6Very high178 Ų17845.3 Ų45.377%0.77423%0.231SC*.SBendtrans-96.9-8.6-178.6-62.4-176.9-179177.70113.7T509T509-K511 PolarHBondContact O-N 3.24Å
512T94.9Very high97.7Very high30 Ų3045.2 Ų45.218%0.18423%0.23CC..SBendtrans-134.5157.9-179.7650000110.1E514 G515 Y516T512-E514 PolarHBondContact O-N 2.82Å; T512-G515 PolarHBondContact O-N 3.25Å; T512-G515 PolarHBondContact OG1-N 3.12Å; T512-G515 VanDerWaalsContact OG1-N 3.14Å; T512-Y516 PolarHBondContact O-N 2.89Å
513K96.6Very high97.7Very high27 Ų2744.2 Ų44.212%0.11722%0.215CC..Hα-helixtrans-59.2-36.6175.6-73.7-178.3175.3-171.40112.3V489 E490 V493 D495 M498 Y516 Y517V489-K513 HydrophobicContact CG2-CB 4.2Å; E490-K513 VanDerWaalsContact CD-NZ 3.35Å; E490-K513 IonicContact OE1-NZ 3.98Å; E490-K513 PolarHBondContact OE1-NZ 2.81Å; E490-K513 VanDerWaalsContact OE2-CD 3.28Å; E490-K513 WeakPolarHBondContact OE2-CD 3.3Å; E490-K513 IonicContact OE2-NZ 2.65Å; V493-K513 HydrophobicContact CB-CB 4.06Å; V493-K513 HydrophobicContact CB-CD 4.48Å; V493-K513 HydrophobicContact CB-CG 4.08Å; V493-K513 HydrophobicContact CG1-CB 4.25Å; V493-K513 HydrophobicContact CG1-CG 3.96Å; V493-K513 WeakPolarHBondContact O-CD 3.45Å; V493-K513 WeakPolarHBondContact O-CE 3.26Å; V493-K513 PolarHBondContact O-NZ 3.49Å; D495-K513 WeakPolarHBondContact OD1-CE 3.36Å; D495-K513 IonicContact OD1-NZ 2.75Å; D495-K513 PolarHBondContact OD1-NZ 2.85Å; M498-K513 HydrophobicContact CG-CG 3.62Å; M498-K513 HydrophobicContact SD-CG 4.07Å; K513-Y516 WeakPolarHBondContact O-CB 3.28Å; K513-Y516 PolarHBondContact O-N 3.31Å; K513-Y517 WeakPolarHBondContact O-CB 3.16Å; K513-Y517 PolarHBondContact O-N 2.94Å
514E96.3Very high97.7Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-64.8-48.9174.2-177179.8179.200112.7R340 Q486 V489 T512 Y516 Y517 Y518R340-E514 WeakPolarHBondContact CG-OE1 3.29Å; R340-E514 IonicContact CZ-OE1 3.6Å; R340-E514 IonicContact CZ-OE2 3.54Å; R340-E514 IonicContact NE-OE1 2.78Å; R340-E514 PolarHBondContact NE-OE1 3.19Å; R340-E514 IonicContact NE-OE2 3.37Å; R340-E514 PolarHBondContact NE-OE2 3.26Å; R340-E514 IonicContact NH2-OE1 3.82Å; R340-E514 PolarHBondContact NH2-OE1 3.45Å; R340-E514 IonicContact NH2-OE2 3.55Å; R340-E514 PolarHBondContact NH2-OE2 3.2Å; Q486-E514 PolarHBondContact NE2-OE2 2.77Å; V489-E514 HydrophobicContact CG2-CB 4.13Å; T512-E514 PolarHBondContact O-N 2.82Å; E514-Y516 PolarHBondContact O-N 3.24Å; E514-Y517 PolarHBondContact O-N 3.06Å; E514-Y517 VanDerWaalsContact O-N 3.12Å; E514-Y518 HydrophobicContact CG-CD2 4.08Å; E514-Y518 HydrophobicContact CG-CE1 4.06Å; E514-Y518 HydrophobicContact CG-CE2 3.51Å; E514-Y518 PolarHBondContact O-N 2.83Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.44Å; E514-Y518 PolarHBondContact OE1-OH 2.86Å
515G96.9Very high97.7Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-58.6-36.517500000111.6P510 T512 R519P510-G515 VanDerWaalsContact CB-C 3.45Å; T512-G515 PolarHBondContact O-N 3.25Å; T512-G515 PolarHBondContact OG1-N 3.12Å; T512-G515 VanDerWaalsContact OG1-N 3.14Å; G515-R519 WeakPolarHBondContact O-CB 3.32Å; G515-R519 PolarHBondContact O-N 2.92Å
516Y98.4Very high97.7Very high3 Ų341.7 Ų41.71%0.01220%0.198CC..Hα-helixtrans-65.1-47.2174.9-165.8-69.5000111.5V493 M497 M498 A501 K504 F505 P510 T512 K513 E514 Y518 R519 Q520V493-Y516 HydrophobicContact CG1-CD1 3.84Å; V493-Y516 HydrophobicContact CG1-CE1 4.39Å; V493-Y516 HydrophobicContact CG1-CG 3.92Å; V493-Y516 HydrophobicContact CG2-CD1 3.96Å; M497-Y516 HydrophobicContact CB-CE1 4.25Å; M497-Y516 HydrophobicContact CB-CE2 4.32Å; M497-Y516 HydrophobicContact CE-CD1 4.06Å; M497-Y516 HydrophobicContact CE-CE1 3.4Å; M497-Y516 WeakPolarHBondContact O-CE2 3.43Å; M498-Y516 HydrophobicContact SD-CD2 3.77Å; M498-Y516 HydrophobicContact SD-CG 4.07Å; A501-Y516 HydrophobicContact CB-CD2 3.81Å; A501-Y516 HydrophobicContact CB-CE2 3.75Å; K504-Y516 WeakPolarHBondContact CD-OH 3.49Å; K504-Y516 PolarHBondContact NZ-OH 3.03Å; F505-Y516 HydrophobicContact CD2-CD2 4.25Å; F505-Y516 HydrophobicContact CD2-CE2 4.04Å; F505-Y516 HydrophobicContact CE2-CD1 4.1Å; F505-Y516 HydrophobicContact CE2-CD2 4.09Å; F505-Y516 AromaticContact CE2-CE1 3.79Å; F505-Y516 HydrophobicContact CE2-CE1 3.79Å; F505-Y516 AromaticContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CG 4.23Å; F505-Y516 AromaticContact CE2-CZ 3.66Å; F505-Y516 HydrophobicContact CZ-CE1 4.49Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.7Å; P510-Y516 HydrophobicContact CG-CG 4.08Å; T512-Y516 PolarHBondContact O-N 2.89Å; K513-Y516 WeakPolarHBondContact O-CB 3.28Å; K513-Y516 PolarHBondContact O-N 3.31Å; E514-Y516 PolarHBondContact O-N 3.24Å; Y516-Y518 PolarHBondContact O-N 3.03Å; Y516-R519 PolarHBondContact O-N 2.83Å; Y516-Q520 HydrophobicContact CD1-CG 3.68Å; Y516-Q520 VanDerWaalsContact CD1-OE1 3.22Å; Y516-Q520 HydrophobicContact CE1-CG 3.53Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.31Å
517Y98.6Very high97.7Very high30 Ų3041 Ų4112%0.11819%0.193CC..Hα-helixtrans-60-46.7179-175.1-106.3000111.8L324 Y488 V489 Q492 V493 K513 E514 R519 Q520 I521L324-Y517 HydrophobicContact CD1-CE1 4.04Å; Y488-Y517 HydrophobicContact CD1-CE1 4.48Å; Y488-Y517 AromaticContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE2 4.3Å; Y488-Y517 AromaticContact CE1-CZ 3.58Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.44Å; Y488-Y517 PolarHBondContact OH-OH 3.18Å; V489-Y517 HydrophobicContact CG1-CD1 3.86Å; V489-Y517 HydrophobicContact CG1-CG 3.89Å; Q492-Y517 HydrophobicContact CB-CD2 3.69Å; Q492-Y517 HydrophobicContact CB-CE2 3.74Å; Q492-Y517 HydrophobicContact CG-CD2 4.17Å; Q492-Y517 HydrophobicContact CG-CE2 3.78Å; V493-Y517 HydrophobicContact CG2-CD2 4.43Å; K513-Y517 WeakPolarHBondContact O-CB 3.16Å; K513-Y517 PolarHBondContact O-N 2.94Å; E514-Y517 PolarHBondContact O-N 3.06Å; E514-Y517 VanDerWaalsContact O-N 3.12Å; Y517-R519 VanDerWaalsContact C-N 3.35Å; Y517-R519 PolarHBondContact O-N 3.1Å; Y517-Q520 WeakPolarHBondContact O-CB 3.43Å; Y517-Q520 PolarHBondContact O-N 3.24Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.45Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.45Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.16Å; Y517-I521 VanDerWaalsContact O-N 3.14Å
518Y98.6Very high97.7Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-62.8-42.6175.9-62.6-14.5000111.7L324 I328 I336 V339 L485 E514 Y516 Q520 I521 F522L324-Y518 HydrophobicContact CD1-CE1 4.44Å; L324-Y518 HydrophobicContact CD2-CE1 3.96Å; I328-Y518 HydrophobicContact CD1-CD1 3.93Å; I328-Y518 HydrophobicContact CD1-CG 4.21Å; I336-Y518 HydrophobicContact CG1-CD2 4.28Å; I336-Y518 HydrophobicContact CG2-CE2 4.37Å; V339-Y518 HydrophobicContact CB-CD2 3.81Å; V339-Y518 HydrophobicContact CB-CE2 3.68Å; V339-Y518 HydrophobicContact CB-CG 4.37Å; V339-Y518 HydrophobicContact CG1-CD1 4.02Å; V339-Y518 HydrophobicContact CG1-CD2 3.88Å; V339-Y518 HydrophobicContact CG1-CE1 3.79Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.07Å; V339-Y518 HydrophobicContact CG2-CD2 4.11Å; V339-Y518 HydrophobicContact CG2-CE2 4.49Å; V339-Y518 HydrophobicContact CG2-CG 4.41Å; L485-Y518 WeakPolarHBondContact CD1-OH 3.32Å; E514-Y518 HydrophobicContact CG-CD2 4.08Å; E514-Y518 HydrophobicContact CG-CE1 4.06Å; E514-Y518 HydrophobicContact CG-CE2 3.51Å; E514-Y518 PolarHBondContact O-N 2.83Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.44Å; E514-Y518 PolarHBondContact OE1-OH 2.86Å; Y516-Y518 PolarHBondContact O-N 3.03Å; Y518-Q520 VanDerWaalsContact C-N 3.31Å; Y518-Q520 PolarHBondContact O-N 3.46Å; Y518-I521 PolarHBondContact O-N 3.26Å; Y518-F522 WeakPolarHBondContact O-CB 3.16Å; Y518-F522 PolarHBondContact O-N 2.78Å
519R98.6Very high97.7Very high5 Ų537.7 Ų37.72%0.01919%0.19CC..Hα-helixtrans-62.7-36.4176.1-176.857.5176.7-76-8.7112.4F505 F507 N508 G515 Y516 Y517 F522 E523F505-R519 HydrophobicContact CD1-CG 3.93Å; F505-R519 HydrophobicContact CD2-CG 3.91Å; F505-R519 HydrophobicContact CE1-CG 4.05Å; F505-R519 HydrophobicContact CE2-CB 4.42Å; F505-R519 HydrophobicContact CE2-CG 3.99Å; F505-R519 HydrophobicContact CG-CG 3.86Å; F505-R519 HydrophobicContact CZ-CG 4.06Å; F507-R519 PolarHBondContact O-NH1 3.19Å; F507-R519 PolarHBondContact O-NH2 3.38Å; N508-R519 PolarHBondContact O-NH1 2.72Å; G515-R519 WeakPolarHBondContact O-CB 3.32Å; G515-R519 PolarHBondContact O-N 2.92Å; Y516-R519 PolarHBondContact O-N 2.83Å; Y517-R519 VanDerWaalsContact C-N 3.35Å; Y517-R519 PolarHBondContact O-N 3.1Å; R519-F522 PolarHBondContact O-N 3.37Å; R519-E523 HydrophobicContact CG-CG 4.29Å; R519-E523 IonicContact CZ-OE1 3.56Å; R519-E523 VanDerWaalsContact CZ-OE1 3.27Å; R519-E523 IonicContact NE-OE1 2.88Å; R519-E523 PolarHBondContact NE-OE1 2.8Å; R519-E523 IonicContact NH2-OE1 3.46Å; R519-E523 PolarHBondContact NH2-OE1 2.79Å; R519-E523 WeakPolarHBondContact O-CB 3.32Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.47Å; R519-E523 PolarHBondContact O-N 2.92Å
520Q98.6Very high97.7Very high54 Ų5435.9 Ų35.925%0.25218%0.179SC..Hα-helixtrans-63.7-44.9174.6-75.4-179.3-8000112.6F505 Y516 Y517 Y518 F522 R524F505-Q520 HydrophobicContact CE2-CG 4.25Å; F505-Q520 HydrophobicContact CZ-CG 3.96Å; Y516-Q520 HydrophobicContact CD1-CG 3.68Å; Y516-Q520 VanDerWaalsContact CD1-OE1 3.22Å; Y516-Q520 HydrophobicContact CE1-CG 3.53Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.31Å; Y517-Q520 WeakPolarHBondContact O-CB 3.43Å; Y517-Q520 PolarHBondContact O-N 3.24Å; Y518-Q520 VanDerWaalsContact C-N 3.31Å; Y518-Q520 PolarHBondContact O-N 3.46Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; Q520-R524 WeakPolarHBondContact O-CB 3.41Å; Q520-R524 PolarHBondContact O-N 2.94Å
521I98.8Very high97.8Very high5 Ų539.4 Ų39.43%0.02620%0.198CC..Hα-helixtrans-63.3-45176.5-66.1172.8000109.8L324 D325 I328 Y517 Y518 R524 H525L324-I521 HydrophobicContact CB-CD1 4.47Å; D325-I521 WeakPolarHBondContact OD1-CG2 3.27Å; I328-I521 HydrophobicContact CB-CG2 3.75Å; I328-I521 HydrophobicContact CD1-CB 3.81Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.41Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.36Å; I328-I521 HydrophobicContact CG2-CB 4.29Å; I328-I521 HydrophobicContact CG2-CG2 3.72Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.45Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.45Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.16Å; Y517-I521 VanDerWaalsContact O-N 3.14Å; Y518-I521 PolarHBondContact O-N 3.26Å; I521-R524 WeakPolarHBondContact O-CB 3.46Å; I521-R524 PolarHBondContact O-N 3.08Å; I521-H525 PolarHBondContact O-CD2 3.45Å; I521-H525 VanDerWaalsContact O-CD2 3.32Å; I521-H525 PolarHBondContact O-N 2.72Å
522F98.9Very high97.9Very high1 Ų131.6 Ų31.60%0.00416%0.163CC..Hα-helixtrans-58-50.6177.2175.3-90.2000112I328 E332 Y334 Y518 R519 Q520 R524 H525 Y526 R529 A530 W532I328-F522 HydrophobicContact CG2-CB 3.99Å; E332-F522 WeakPolarHBondContact O-CE2 3.46Å; Y334-F522 HydrophobicContact CD1-CB 4.32Å; Y334-F522 AromaticContact CD1-CD1 3.62Å; Y334-F522 HydrophobicContact CD1-CD1 3.62Å; Y334-F522 AromaticContact CD1-CD2 3.97Å; Y334-F522 HydrophobicContact CD1-CD2 3.97Å; Y334-F522 AromaticContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE2 4.2Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.16Å; Y334-F522 HydrophobicContact CE1-CD1 4.23Å; Y334-F522 HydrophobicContact CE1-CE1 4.1Å; Y334-F522 HydrophobicContact CE1-CZ 4.38Å; Y334-F522 HydrophobicContact CG-CB 4.5Å; Y334-F522 HydrophobicContact CG-CD1 4.47Å; Y334-F522 HydrophobicContact CG-CG 4.32Å; Y518-F522 WeakPolarHBondContact O-CB 3.16Å; Y518-F522 PolarHBondContact O-N 2.78Å; R519-F522 PolarHBondContact O-N 3.37Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; F522-R524 PolarHBondContact O-N 3.49Å; F522-H525 PolarHBondContact O-N 2.82Å; F522-H525 VanDerWaalsContact O-N 3.13Å; F522-Y526 AromaticContact CD2-CD2 3.87Å; F522-Y526 HydrophobicContact CD2-CD2 3.87Å; F522-Y526 AromaticContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CG 4.28Å; F522-Y526 HydrophobicContact CZ-CD2 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.4Å; F522-Y526 PolarHBondContact O-N 2.65Å; F522-R529 HydrophobicContact CE1-CB 4.29Å; F522-R529 HydrophobicContact CZ-CB 4.03Å; F522-R529 WeakPolarHBondContact CZ-O 3.3Å; F522-A530 HydrophobicContact CE1-CB 4.29Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.37Å; F522-W532 AromaticContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å
523E98.6Very high98.1Very high40 Ų4030.3 Ų30.319%0.18716%0.155CC..Hα-helixtrans-67.7-21.9-179.8-68.2-78.3-177.800112.9F505 R519 P527 G528F505-E523 HydrophobicContact CD1-CG 4.25Å; F505-E523 HydrophobicContact CE1-CB 4.41Å; F505-E523 HydrophobicContact CE1-CG 3.8Å; R519-E523 HydrophobicContact CG-CG 4.29Å; R519-E523 IonicContact CZ-OE1 3.56Å; R519-E523 VanDerWaalsContact CZ-OE1 3.27Å; R519-E523 IonicContact NE-OE1 2.88Å; R519-E523 PolarHBondContact NE-OE1 2.8Å; R519-E523 IonicContact NH2-OE1 3.46Å; R519-E523 PolarHBondContact NH2-OE1 2.79Å; R519-E523 WeakPolarHBondContact O-CB 3.32Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.47Å; R519-E523 PolarHBondContact O-N 2.92Å; E523-P527 VanDerWaalsContact O-CA 3.26Å; E523-P527 WeakPolarHBondContact O-CA 3.27Å; E523-P527 WeakPolarHBondContact O-CB 3.13Å; E523-G528 PolarHBondContact OE2-N 2.82Å
524R98.4Very high98.1Very high164 Ų16431.9 Ų31.962%0.61917%0.17SC*.Hα-helixtrans-69.2-40.4171.4178.4170.764.7-166.2-0.3111.9D325 Q520 I521 F522D325-R524 IonicContact OD1-CZ 2.99Å; D325-R524 IonicContact OD1-NE 3.76Å; D325-R524 IonicContact OD1-NH2 2.68Å; D325-R524 PolarHBondContact OD1-NH2 2.83Å; Q520-R524 WeakPolarHBondContact O-CB 3.41Å; Q520-R524 PolarHBondContact O-N 2.94Å; I521-R524 WeakPolarHBondContact O-CB 3.46Å; I521-R524 PolarHBondContact O-N 3.08Å; F522-R524 PolarHBondContact O-N 3.49Å
525H98.4Very high98.1Very high52 Ų5234.6 Ų34.624%0.24118%0.182CC..Hα-helixtrans-84.2-37178.8-69.7-58.4000112.8D325 F329 I521 F522D325-H525 VanDerWaalsContact CG-NE2 3.3Å; D325-H525 IonicContact OD1-CD2 3.68Å; D325-H525 IonicContact OD1-CE1 2.73Å; D325-H525 IonicContact OD1-NE2 2.65Å; D325-H525 PolarHBondContact OD1-NE2 2.91Å; D325-H525 IonicContact OD2-CE1 2.82Å; D325-H525 IonicContact OD2-NE2 2.85Å; D325-H525 PolarHBondContact OD2-NE2 3.22Å; F329-H525 HydrophobicContact CD2-CB 4.32Å; F329-H525 AromaticContact CD2-CG 3.99Å; F329-H525 AromaticContact CD2-ND1 3.79Å; I521-H525 PolarHBondContact O-CD2 3.45Å; I521-H525 VanDerWaalsContact O-CD2 3.32Å; I521-H525 PolarHBondContact O-N 2.72Å; F522-H525 PolarHBondContact O-N 2.82Å; F522-H525 VanDerWaalsContact O-N 3.13Å
526Y98.3Very high98.1Very high4 Ų436.6 Ų36.62%0.01619%0.19CC..SBendtrans-132.364-170.6-53.5-63.1000111.2K162 V165 F329 E332 F522 G528 R529 W532K162-Y526 HydrophobicContact CB-CE1 3.95Å; K162-Y526 WeakPolarHBondContact CE-OH 3.11Å; V165-Y526 HydrophobicContact CG1-CD1 4.35Å; V165-Y526 HydrophobicContact CG2-CD1 4.41Å; V165-Y526 HydrophobicContact CG2-CE1 4.49Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.27Å; F329-Y526 PolarHBondContact O-OH 3.05Å; E332-Y526 HydrophobicContact CB-CE2 4.18Å; E332-Y526 HydrophobicContact CG-CE2 4Å; F522-Y526 AromaticContact CD2-CD2 3.87Å; F522-Y526 HydrophobicContact CD2-CD2 3.87Å; F522-Y526 AromaticContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CG 4.28Å; F522-Y526 HydrophobicContact CZ-CD2 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.4Å; F522-Y526 PolarHBondContact O-N 2.65Å; Y526-G528 PolarHBondContact O-N 3.29Å; Y526-R529 WeakPolarHBondContact O-CB 3.48Å; Y526-R529 WeakPolarHBondContact O-CG 3.41Å; Y526-R529 PolarHBondContact O-N 2.76Å; Y526-W532 AromaticContact CD1-CH2 3.68Å; Y526-W532 HydrophobicContact CD1-CH2 3.68Å; Y526-W532 AromaticContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD2-CZ3 4.12Å; Y526-W532 HydrophobicContact CE1-CH2 4.33Å; Y526-W532 HydrophobicContact CE1-CZ3 4.26Å; Y526-W532 AromaticContact CG-CH2 4Å; Y526-W532 HydrophobicContact CG-CH2 4Å; Y526-W532 AromaticContact CG-CZ3 3.64Å; Y526-W532 HydrophobicContact CG-CZ3 3.64Å
527P97.9Very high97.8Very high87 Ų8737.4 Ų37.457%0.56519%0.193SC*.THydrogen-bonded Turntrans-59.7125.8-175.624.3-34.3000111.5E523 R529E523-P527 VanDerWaalsContact O-CA 3.26Å; E523-P527 WeakPolarHBondContact O-CA 3.27Å; E523-P527 WeakPolarHBondContact O-CB 3.13Å; P527-R529 VanDerWaalsContact C-N 3.34Å; P527-R529 PolarHBondContact O-N 2.75Å
528G96.8Very high97.5Very high48 Ų4839 Ų3950%0.49520%0.202SC..THydrogen-bonded Turntrans73.519.9177.700000114.7E523 Y526E523-G528 PolarHBondContact OE2-N 2.82Å; Y526-G528 PolarHBondContact O-N 3.29Å
529R98.3Very high97.1Very high16 Ų1639.6 Ų39.66%0.0621%0.206CC..  trans-107.918-177-56.2-56-176164.73.2114.3F174 L175 F522 Y526 P527 D531 W532F174-R529 VanDerWaalsContact CE1-NH1 3.34Å; L175-R529 VanDerWaalsContact O-CZ 3.24Å; L175-R529 PolarHBondContact O-NH1 2.87Å; L175-R529 PolarHBondContact O-NH2 3.07Å; F522-R529 HydrophobicContact CE1-CB 4.29Å; F522-R529 HydrophobicContact CZ-CB 4.03Å; F522-R529 WeakPolarHBondContact CZ-O 3.3Å; Y526-R529 WeakPolarHBondContact O-CB 3.48Å; Y526-R529 WeakPolarHBondContact O-CG 3.41Å; Y526-R529 PolarHBondContact O-N 2.76Å; P527-R529 VanDerWaalsContact C-N 3.34Å; P527-R529 PolarHBondContact O-N 2.75Å; R529-D531 PolarHBondContact O-N 3.41Å; R529-D531 VanDerWaalsContact O-N 3.1Å; R529-W532 HydrophobicContact CB-CD2 3.88Å; R529-W532 HydrophobicContact CB-CE3 4.03Å; R529-W532 HydrophobicContact CB-CH2 3.81Å; R529-W532 HydrophobicContact CB-CZ2 3.65Å; R529-W532 HydrophobicContact CB-CZ3 4Å; R529-W532 HydrophobicContact CG-CH2 3.82Å; R529-W532 HydrophobicContact CG-CZ2 3.6Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.78Å
530A98.3Very high96.7Very high5 Ų543 Ų434%0.04122%0.221CC..G310 helixtrans-64.4-18.2-172.600000114Y334 F507 F522 W532 L533Y334-A530 HydrophobicContact CE1-CB 3.87Å; Y334-A530 WeakPolarHBondContact CE1-O 3.4Å; Y334-A530 PolarHBondContact OH-O 3.25Å; F507-A530 HydrophobicContact CD1-CB 3.88Å; F507-A530 VanDerWaalsContact CE1-O 3.32Å; F507-A530 WeakPolarHBondContact CE1-O 3.36Å; F522-A530 HydrophobicContact CE1-CB 4.29Å; A530-W532 PolarHBondContact O-N 3.46Å; A530-L533 PolarHBondContact O-N 2.88Å; A530-L533 VanDerWaalsContact O-O 3.13Å
531D97.9Very high96.4Very high79 Ų7943.7 Ų43.742%0.42222%0.221SC..G310 helixtrans-71.4-10.817864.7-20.2000114.1F507 R529 L533F507-D531 HydrophobicContact CE1-CB 4.37Å; F507-D531 HydrophobicContact CZ-CB 4.31Å; R529-D531 PolarHBondContact O-N 3.41Å; R529-D531 VanDerWaalsContact O-N 3.1Å; D531-L533 PolarHBondContact O-N 3.33Å
532W98.5Very high95.7Very high14 Ų1445 Ų455%0.05323%0.228CC..G310 helixtrans-60.9-28168.3-64.1-12000112.9F146 A161 V165 V177 E332 F522 Y526 R529 A530F146-W532 HydrophobicContact CE1-CG 4.48Å; A161-W532 HydrophobicContact CB-CD2 4.31Å; A161-W532 HydrophobicContact CB-CE3 4.13Å; A161-W532 HydrophobicContact CB-CH2 3.33Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.66Å; V165-W532 HydrophobicContact CG1-CH2 3.45Å; V165-W532 VanDerWaalsContact CG1-CH2 3.45Å; V165-W532 HydrophobicContact CG1-CZ2 3.63Å; V177-W532 HydrophobicContact CB-CZ2 4.03Å; V177-W532 HydrophobicContact CG1-CZ2 3.99Å; V177-W532 PolarHBondContact O-NE1 3.17Å; E332-W532 HydrophobicContact CB-CE3 4.11Å; E332-W532 HydrophobicContact CB-CZ3 3.99Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.37Å; F522-W532 AromaticContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å; Y526-W532 AromaticContact CD1-CH2 3.68Å; Y526-W532 HydrophobicContact CD1-CH2 3.68Å; Y526-W532 AromaticContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD2-CZ3 4.12Å; Y526-W532 HydrophobicContact CE1-CH2 4.33Å; Y526-W532 HydrophobicContact CE1-CZ3 4.26Å; Y526-W532 AromaticContact CG-CH2 4Å; Y526-W532 HydrophobicContact CG-CH2 4Å; Y526-W532 AromaticContact CG-CZ3 3.64Å; Y526-W532 HydrophobicContact CG-CZ3 3.64Å; R529-W532 HydrophobicContact CB-CD2 3.88Å; R529-W532 HydrophobicContact CB-CE3 4.03Å; R529-W532 HydrophobicContact CB-CH2 3.81Å; R529-W532 HydrophobicContact CB-CZ2 3.65Å; R529-W532 HydrophobicContact CB-CZ3 4Å; R529-W532 HydrophobicContact CG-CH2 3.82Å; R529-W532 HydrophobicContact CG-CZ2 3.6Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.78Å; A530-W532 PolarHBondContact O-N 3.46Å
533L98.4Very high94.9Very high2 Ų253.1 Ų53.11%0.0127%0.272CS..SBendtrans-104.7111.2169.8-178.268.5000108.6Y334 D335 F400 F507 N508 A530 D531 H535Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 3.9Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.77Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; Y334-L533 PolarHBondContact OH-O 3.31Å; D335-L533 HydrophobicContact CB-CD1 4.47Å; D335-L533 HydrophobicContact CB-CD2 3.84Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.38Å; F507-L533 WeakPolarHBondContact CE1-O 3.43Å; N508-L533 PolarHBondContact ND2-O 3.05Å; A530-L533 PolarHBondContact O-N 2.88Å; A530-L533 VanDerWaalsContact O-O 3.13Å; D531-L533 PolarHBondContact O-N 3.33Å; L533-H535 WeakPolarHBondContact CD1-O 3.34Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3.39Å
534S97.2Very high94Very high60 Ų6052 Ų5242%0.4227%0.27SS..  trans-67.5-37.3177.650.70000112.5N508N508-S534 PolarHBondContact ND2-O 3.17Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å
535H96.3Very high92.8Very high57 Ų5749.6 Ų49.626%0.26427%0.273SS..SBendtrans-156.1155.2-176.452.6-86.9000111.7E396 F400 L533E396-H535 VanDerWaalsContact CD-CE1 3.45Å; E396-H535 IonicContact OE1-CE1 2.94Å; E396-H535 PolarHBondContact OE1-CE1 3.29Å; E396-H535 IonicContact OE1-NE2 3.57Å; E396-H535 PolarHBondContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CD2 3.9Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.78Å; E396-H535 IonicContact OE2-NE2 2.73Å; E396-H535 PolarHBondContact OE2-NE2 3.35Å; F400-H535 AromaticContact CE2-NE2 3.75Å; F400-H535 AromaticContact CZ-CD2 3.73Å; F400-H535 AromaticContact CZ-NE2 3.69Å; L533-H535 WeakPolarHBondContact CD1-O 3.34Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3.39Å
536Y95.3Very high91.9Very high42 Ų4247.7 Ų47.717%0.16527%0.265CS..  trans-68.6144167.2-68-84000110.4Y334 D335 N508 M538Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.71Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.42Å; Y334-Y536 HydrophobicContact CE2-CE1 4Å; Y334-Y536 HydrophobicContact CE2-CE2 4.24Å; Y334-Y536 AromaticContact CE2-CZ 3.62Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.46Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.4Å; N508-Y536 HydrophobicContact CB-CE2 3.99Å; N508-Y536 WeakPolarHBondContact O-CE2 3.37Å; N508-Y536 PolarHBondContact O-OH 3.16Å; N508-Y536 VanDerWaalsContact O-OH 3.12Å; Y536-M538 PolarHBondContact O-N 3.32Å
537W93.8Very high90.7Very high21 Ų2148 Ų488%0.0827%0.267CS..  trans-64.7127170.1-171.696000109.1D335 T337 Y374 Y376 F400 P547D335-W537 PolarHBondContact OD1-N 3Å; T337-W537 HydrophobicContact CG2-CD2 4.46Å; T337-W537 HydrophobicContact CG2-CE3 4.26Å; Y374-W537 HydrophobicContact CD1-CZ2 4.43Å; Y374-W537 HydrophobicContact CD2-CZ2 4.28Å; Y374-W537 HydrophobicContact CE1-CZ2 4.32Å; Y374-W537 HydrophobicContact CE2-CZ2 4.18Å; Y374-W537 HydrophobicContact CG-CZ2 4.42Å; Y376-W537 HydrophobicContact CE1-CH2 4.45Å; Y376-W537 HydrophobicContact CE1-CZ2 4.35Å; F400-W537 HydrophobicContact CD1-CB 3.76Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.72Å; F400-W537 HydrophobicContact CE1-CB 3.59Å; F400-W537 HydrophobicContact CE1-CG 4.49Å; F400-W537 HydrophobicContact CE2-CB 4.42Å; F400-W537 HydrophobicContact CG-CB 4.26Å; F400-W537 AromaticContact CG-CD1 3.81Å; F400-W537 HydrophobicContact CG-CG 4.43Å; F400-W537 HydrophobicContact CZ-CB 3.94Å; W537-P547 HydrophobicContact CE3-CB 3.73Å; W537-P547 HydrophobicContact CZ3-CB 4.08Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.47Å
538M91.2Very high89.3Confident62 Ų6244.2 Ų44.231%0.30524%0.243SC..  trans-143.5140.3179.1-67.2-60.9-62.700110.6Y536 A544 P547Y536-M538 PolarHBondContact O-N 3.32Å; M538-A544 HydrophobicContact CE-CB 4.01Å; M538-A544 WeakPolarHBondContact CE-O 3.33Å; M538-P547 HydrophobicContact SD-CB 3.98Å; M538-P547 HydrophobicContact SD-CG 4.47Å
539P89.6Confident87.6Confident13 Ų1342.9 Ų42.98%0.08423%0.227CC..  trans-68.2137.9175.828.6-34.3000111.2Y376 A544Y376-P539 HydrophobicContact CD1-CB 3.64Å; Y376-P539 HydrophobicContact CD2-CB 4.46Å; Y376-P539 HydrophobicContact CE1-CB 4.24Å; Y376-P539 HydrophobicContact CG-CB 3.76Å; P539-A544 HydrophobicContact CG-CB 3.94Å
540K90.5Very high85.8Confident76 Ų7646 Ų4633%0.3324%0.239SC..THydrogen-bonded Turntrans-76.1164.8172.7-103.7-163.1-168.3156.30112.3Y376 E389 I542Y376-K540 HydrophobicContact CD2-CB 4.06Å; Y376-K540 WeakPolarHBondContact CD2-O 3.03Å; Y376-K540 HydrophobicContact CE2-CB 3.78Å; E389-K540 HydrophobicContact CG-CD 4.41Å; E389-K540 WeakPolarHBondContact OE2-CD 3.27Å; E389-K540 WeakPolarHBondContact OE2-CE 3.44Å; E389-K540 IonicContact OE2-NZ 3.8Å; E389-K540 PolarHBondContact OE2-NZ 3.41Å; K540-I542 PolarHBondContact O-N 3.02Å
541W92.8Very high83.8Confident69 Ų6949.3 Ų49.326%0.26126%0.259SS..THydrogen-bonded Turntrans56.712.9176.5-43.8-63.9000115.3Y376 F377 K379 A380 P381 E385 E389Y376-W541 AromaticContact CD2-CE3 3.69Å; Y376-W541 HydrophobicContact CD2-CE3 3.69Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.19Å; Y376-W541 AromaticContact CE2-CZ3 3.86Å; Y376-W541 HydrophobicContact CE2-CZ3 3.86Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CE1-CH2 4.27Å; F377-W541 HydrophobicContact CE1-CZ3 4.43Å; K379-W541 HydrophobicContact CB-CB 4.3Å; A380-W541 HydrophobicContact CB-CE3 4.05Å; A380-W541 HydrophobicContact CB-CH2 3.52Å; A380-W541 HydrophobicContact CB-CZ2 4.02Å; A380-W541 HydrophobicContact CB-CZ3 3.54Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.48Å; E385-W541 HydrophobicContact CB-CZ2 3.99Å; E385-W541 PolarHBondContact OE2-NE1 3.06Å; E389-W541 HydrophobicContact CB-CH2 3.82Å; E389-W541 HydrophobicContact CB-CZ2 4.17Å; E389-W541 HydrophobicContact CG-CH2 3.99Å
542I84.4Confident81.8Confident34 Ų3446.1 Ų46.117%0.17424%0.241CC..SBendtrans-130.7133.2177.7-55.4179.1000108.3K379 K540 A544 L552K379-I542 HydrophobicContact CD-CD1 3.91Å; K379-I542 HydrophobicContact CD-CG1 3.68Å; K540-I542 PolarHBondContact O-N 3.02Å; I542-A544 HydrophobicContact CG2-CB 4.3Å; I542-A544 PolarHBondContact O-N 2.91Å; I542-L552 HydrophobicContact CB-CD2 4.4Å; I542-L552 HydrophobicContact CD1-CD1 3.77Å; I542-L552 HydrophobicContact CD1-CD2 3.62Å; I542-L552 HydrophobicContact CD1-CG 4.28Å; I542-L552 HydrophobicContact CG2-CD2 3.6Å
543N81.4Confident79.5Confident170 Ų17050.6 Ų50.691%0.90927%0.271SS*.  trans-77.376.4171.1-167.924.3000110
544A79.8Confident77.2Confident18 Ų1855.1 Ų55.115%0.14929%0.291CS..  trans-102.6138.1179.100000110.8M538 P539 I542M538-A544 HydrophobicContact CE-CB 4.01Å; M538-A544 WeakPolarHBondContact CE-O 3.33Å; P539-A544 HydrophobicContact CG-CB 3.94Å; I542-A544 HydrophobicContact CG2-CB 4.3Å; I542-A544 PolarHBondContact O-N 2.91Å
545T73.9Confident74.9Confident112 Ų11254.6 Ų54.669%0.68728%0.281SS*.SBendtrans-102.9-17.6172.251.60000112.7
546D78.5Confident72.3Confident12 Ų1259.1 Ų59.16%0.06430%0.3CS..SBendtrans-121.8140.4171.5-173.5-79.6000108.3R340 S548 T551R340-D546 IonicContact CZ-OD1 3.33Å; R340-D546 IonicContact CZ-OD2 2.81Å; R340-D546 IonicContact NH1-OD1 2.67Å; R340-D546 PolarHBondContact NH1-OD1 3.17Å; R340-D546 IonicContact NH1-OD2 2.73Å; R340-D546 IonicContact NH2-OD1 3.54Å; R340-D546 PolarHBondContact NH2-OD1 2.96Å; R340-D546 IonicContact NH2-OD2 3.51Å; R340-D546 PolarHBondContact NH2-OD2 3.38Å; D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 WeakPolarHBondContact OD1-CA 3.35Å; D546-S548 WeakPolarHBondContact OD1-CB 3.11Å; D546-S548 PolarHBondContact OD1-N 3.08Å; D546-T551 HydrophobicContact CB-CG2 4.25Å
547P73.8Confident69.3Low10 Ų1060.5 Ų60.57%0.06532%0.315CS..  trans-75.7-6.2-178.630.6-36.3000114.6I336 T337 W537 M538 A549I336-P547 HydrophobicContact CB-CG 4.02Å; I336-P547 HydrophobicContact CG2-CG 4.04Å; T337-P547 WeakPolarHBondContact OG1-CB 3.35Å; T337-P547 WeakPolarHBondContact OG1-CG 3.45Å; W537-P547 HydrophobicContact CE3-CB 3.73Å; W537-P547 HydrophobicContact CZ3-CB 4.08Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.47Å; M538-P547 HydrophobicContact SD-CB 3.98Å; M538-P547 HydrophobicContact SD-CG 4.47Å; P547-A549 PolarHBondContact O-N 3.12Å
548S67.9Low66.5Low9 Ų962.5 Ų62.56%0.06334%0.336CS..  trans-62.9128.2177.5-178.90000111.3D546 R550 T551D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 WeakPolarHBondContact OD1-CA 3.35Å; D546-S548 WeakPolarHBondContact OD1-CB 3.11Å; D546-S548 PolarHBondContact OD1-N 3.08Å; S548-R550 PolarHBondContact O-N 3.06Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.44Å; S548-R550 WeakPolarHBondContact OG-CG 3.34Å; S548-R550 PolarHBondContact OG-N 3Å; S548-R550 VanDerWaalsContact OG-N 3.1Å; S548-T551 PolarHBondContact O-N 3.34Å; S548-T551 PolarHBondContact O-OG1 3.44Å
549A61.4Low63.6Low19 Ų1963.8 Ų63.816%0.15736%0.357CS..G310 helixtrans-61.4-18.6171.500000113P547 T551 L552 Y555P547-A549 PolarHBondContact O-N 3.12Å; A549-T551 PolarHBondContact O-N 2.82Å; A549-L552 HydrophobicContact CB-CD1 4.24Å; A549-L552 WeakPolarHBondContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CG 3.3Å; A549-L552 PolarHBondContact O-N 3.31Å; A549-Y555 HydrophobicContact CB-CD2 3.71Å; A549-Y555 HydrophobicContact CB-CE2 3.32Å; A549-Y555 WeakPolarHBondContact O-CD2 3.46Å
550R62.1Low60.5Low81 Ų8172.3 Ų72.331%0.30639%0.392SS..G310 helixtrans-64.9-23.4176.2-62.8-174.3-179.7-130.7-7.1113.8D472 T475 S480 S548 L552D472-R550 PolarHBondContact O-NH2 2.92Å; D472-R550 IonicContact OD1-CZ 3Å; D472-R550 IonicContact OD1-NE 2.78Å; D472-R550 PolarHBondContact OD1-NE 2.95Å; D472-R550 IonicContact OD1-NH2 3.14Å; T475-R550 PolarHBondContact OG1-NH2 3.41Å; S480-R550 PolarHBondContact OG-NH1 2.85Å; S548-R550 PolarHBondContact O-N 3.06Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.44Å; S548-R550 WeakPolarHBondContact OG-CG 3.34Å; S548-R550 PolarHBondContact OG-N 3Å; S548-R550 VanDerWaalsContact OG-N 3.1Å; R550-L552 PolarHBondContact O-N 2.54Å
551T54.3Low57.4Low76 Ų7676 Ų7647%0.46644%0.437SS..G310 helixtrans-77.1-10.3175.265.50000112.2D546 S548 A549D546-T551 HydrophobicContact CB-CG2 4.25Å; S548-T551 PolarHBondContact O-N 3.34Å; S548-T551 PolarHBondContact O-OG1 3.44Å; A549-T551 PolarHBondContact O-N 2.82Å
552L57.4Low55.7Low11 Ų1176.4 Ų76.46%0.05845%0.446CS..SBendtrans-84.8131.9-176.5-52.6-176.6000111.8I542 A549 R550 H554 Y555I542-L552 HydrophobicContact CB-CD2 4.4Å; I542-L552 HydrophobicContact CD1-CD1 3.77Å; I542-L552 HydrophobicContact CD1-CD2 3.62Å; I542-L552 HydrophobicContact CD1-CG 4.28Å; I542-L552 HydrophobicContact CG2-CD2 3.6Å; A549-L552 HydrophobicContact CB-CD1 4.24Å; A549-L552 WeakPolarHBondContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CG 3.3Å; A549-L552 PolarHBondContact O-N 3.31Å; R550-L552 PolarHBondContact O-N 2.54Å; L552-H554 PolarHBondContact O-N 2.72Å; L552-H554 VanDerWaalsContact O-N 3.15Å; L552-Y555 WeakPolarHBondContact O-CB 3.15Å; L552-Y555 PolarHBondContact O-N 3.39Å; L552-Y555 VanDerWaalsContact O-N 3.09Å
553T50.5Low54.2Low109 Ų10978.6 Ų78.667%0.66946%0.46SS*.Hα-helixtrans-57.9-31.8-178.3-27.70000113.5Y555 K556T553-Y555 VanDerWaalsContact C-N 3.34Å; T553-Y555 PolarHBondContact O-N 2.79Å; T553-K556 PolarHBondContact O-N 2.65Å
554H49.8Very low52.6Low96 Ų9673.5 Ų73.544%0.44444%0.435SS..Hα-helixtrans-70.7-23.9179-77.8-52.5000114.3I375 L552 K556 S557 A558I375-H554 HydrophobicContact CG2-CB 4.3Å; L552-H554 PolarHBondContact O-N 2.72Å; L552-H554 VanDerWaalsContact O-N 3.15Å; H554-K556 PolarHBondContact O-N 3.06Å; H554-S557 WeakPolarHBondContact CA-OG 3.35Å; H554-S557 PolarHBondContact O-N 3.06Å; H554-S557 PolarHBondContact O-OG 3.16Å; H554-A558 PolarHBondContact O-N 3.48Å
555Y48.5Very low51Low49 Ų4976.8 Ų76.819%0.19245%0.452CS..Hα-helixtrans-65.3-32172.5-115.8-95.3000111.4I375 K467 E468 A469 A549 L552 T553I375-Y555 HydrophobicContact CG1-CD2 4.32Å; I375-Y555 HydrophobicContact CG1-CE2 3.8Å; K467-Y555 PolarHBondContact O-OH 3.03Å; E468-Y555 WeakPolarHBondContact CA-OH 3.47Å; A469-Y555 PolarHBondContact N-OH 3.08Å; A549-Y555 HydrophobicContact CB-CD2 3.71Å; A549-Y555 HydrophobicContact CB-CE2 3.32Å; A549-Y555 WeakPolarHBondContact O-CD2 3.46Å; L552-Y555 WeakPolarHBondContact O-CB 3.15Å; L552-Y555 PolarHBondContact O-N 3.39Å; L552-Y555 VanDerWaalsContact O-N 3.09Å; T553-Y555 VanDerWaalsContact C-N 3.34Å; T553-Y555 PolarHBondContact O-N 2.79Å
556K41.1Very low49.6Very low153 Ų15374.6 Ų74.667%0.66544%0.438SS*.Hα-helixtrans-74.3-24.6179.1-68.6-177178.2177.20113.6T553 H554T553-K556 PolarHBondContact O-N 2.65Å; H554-K556 PolarHBondContact O-N 3.06Å
557S33.4Very low47.7Very low70 Ų7078.7 Ų78.749%0.4946%0.463SS..Hα-helixtrans-80.7-3317842.70000113H554 K560H554-S557 WeakPolarHBondContact CA-OG 3.35Å; H554-S557 PolarHBondContact O-N 3.06Å; H554-S557 PolarHBondContact O-OG 3.16Å; S557-K560 PolarHBondContact O-N 3.49Å
558A34.9Very low45.8Very low63 Ų6383.6 Ų83.652%0.52149%0.491SS..Hα-helixtrans-73.3-28.217800000113H554 K560H554-A558 PolarHBondContact O-N 3.48Å; A558-K560 PolarHBondContact O-N 3.03Å
559A29.4Very low44.1Very low89 Ų8989.4 Ų89.474%0.73652%0.524SS*.THydrogen-bonded Turntrans-76.12.7175.800000114.4
560K25.4Very low42.7Very low192 Ų19295.3 Ų95.384%0.83555%0.554SS**THydrogen-bonded Turntrans-125.78.5-177.8-79.5-168.7175.4-173.40114.3S557 A558S557-K560 PolarHBondContact O-N 3.49Å; A558-K560 PolarHBondContact O-N 3.03Å
561A25.4Very low40.9Very low154 Ų15496.5 Ų96.5100%1.27358%0.577SS**  trans-103.90176.900000111

Retrieved 561 of 561 residues in 247.2 ms (Link to these results)

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