A0A077YVK1_TRITR Loading...

HECT-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077YVK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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
1M30.7Very low45.9Very low241 Ų24182.7 Ų82.7100%1.18741%0.41SS*.  0129.10-76.1177.3-179.400107.5K3M1-K3 PolarHBondContact O-N 3.26Å
2N32.8Very low46.3Very low145 Ų14575.8 Ų75.878%0.77538%0.376SS*.PPolyproline II helixtrans-54.5130-179.8-72.6-22.7000110.2I4N2-I4 PolarHBondContact O-N 3.22Å
3K33.4Very low46.8Very low194 Ų19480.9 Ų80.984%0.84339%0.388SS*.PPolyproline II helixtrans-56.8121.2173.5-78.3-175.1173.7-173.90108.3M1 H5M1-K3 PolarHBondContact O-N 3.26Å; K3-H5 PolarHBondContact O-CE1 3.23Å; K3-H5 VanDerWaalsContact O-CE1 3.26Å; K3-H5 PolarHBondContact O-NE2 2.98Å
4I36.8Very low47.3Very low144 Ų14484.9 Ų84.974%0.73841%0.413SS*.PPolyproline II helixtrans-71.7131.4-166-63.9169.6000109.9N2 S61N2-I4 PolarHBondContact O-N 3.22Å; I4-S61 WeakPolarHBondContact CG2-OG 3.47Å
5H47.2Very low47.5Very low109 Ų10986.5 Ų86.551%0.50542%0.419SS..PPolyproline II helixtrans-86.1162.4-169.7-53-68.5000113K3 A24 S61K3-H5 PolarHBondContact O-CE1 3.23Å; K3-H5 VanDerWaalsContact O-CE1 3.26Å; K3-H5 PolarHBondContact O-NE2 2.98Å; H5-A24 VanDerWaalsContact CA-CB 3.45Å; H5-A24 HydrophobicContact CB-CB 3.72Å; H5-A24 WeakPolarHBondContact ND1-CB 3.37Å; H5-S61 VanDerWaalsContact C-CA 3.44Å; H5-S61 WeakPolarHBondContact O-CA 3.42Å; H5-S61 WeakPolarHBondContact O-CB 3.21Å; H5-S61 PolarHBondContact O-N 3.06Å; H5-S61 PolarHBondContact O-OG 3.21Å
6S45.4Very low47.9Very low14 Ų1486.3 Ų86.310%0.09842%0.424CS..EExtended strand (participates in β ladder)trans-170.9151.217046.10000112.5V25 R30 Y59S6-V25 PolarHBondContact O-N 3.08Å; S6-V25 PolarHBondContact OG-O 2.96Å; S6-V25 VanDerWaalsContact OG-O 3.05Å; S6-R30 VanDerWaalsContact CB-CZ 3.46Å; S6-R30 VanDerWaalsContact OG-CZ 3.23Å; S6-R30 PolarHBondContact OG-NE 2.79Å; S6-R30 PolarHBondContact OG-NH2 3.23Å; S6-Y59 WeakPolarHBondContact CB-O 3.37Å
7G54.4Low48.3Very low8 Ų882.2 Ų82.28%0.08241%0.405CS..EExtended strand (participates in β ladder)trans-143178.2178.400000112.2Y59G7-Y59 PolarHBondContact N-O 3.16Å; G7-Y59 VanDerWaalsContact N-O 3.16Å; G7-Y59 CarbonylContact O-C 3.58Å; G7-Y59 WeakPolarHBondContact O-CA 3.25Å; G7-Y59 WeakPolarHBondContact O-CB 3.44Å; G7-Y59 PolarHBondContact O-N 2.84Å
8Y57.1Low48.5Very low4 Ų477.7 Ų77.72%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-141.3163.5-179.857.8-96.9000112.3L18 I21 R30 V33 C34 T37Y8-L18 HydrophobicContact CD2-CD1 4.19Å; Y8-L18 HydrophobicContact CE2-CD1 3.73Å; Y8-I21 HydrophobicContact CD1-CD1 3.81Å; Y8-I21 HydrophobicContact CE1-CD1 3.05Å; Y8-I21 HydrophobicContact CE1-CG1 4.11Å; Y8-I21 HydrophobicContact CE2-CD1 4.34Å; Y8-I21 WeakPolarHBondContact OH-CD1 3.31Å; Y8-R30 HydrophobicContact CD1-CB 4.07Å; Y8-R30 HydrophobicContact CE1-CB 4.38Å; Y8-R30 WeakPolarHBondContact CE1-O 3.41Å; Y8-V33 HydrophobicContact CE1-CB 4.47Å; Y8-V33 PolarHBondContact OH-O 3.44Å; Y8-C34 HydrophobicContact CE2-CB 4.21Å; Y8-C34 WeakPolarHBondContact CE2-SG 3.44Å; Y8-C34 WeakPolarHBondContact OH-CA 3.43Å; Y8-C34 PolarHBondContact OH-N 3.21Å; Y8-T37 WeakPolarHBondContact OH-CB 3.36Å; Y8-T37 PolarHBondContact OH-OG1 2.82Å
9F56.2Low48.6Very low35 Ų3577.3 Ų77.315%0.15439%0.388CS..EExtended strand (participates in β ladder)trans-136.2131.4174.2-64.2-102.7000109.7T16 L18 Q20 V57 Y59F9-T16 HydrophobicContact CB-CG2 4.46Å; F9-T16 HydrophobicContact CD1-CG2 3.55Å; F9-T16 HydrophobicContact CE1-CG2 4.29Å; F9-T16 HydrophobicContact CG-CG2 4.46Å; F9-L18 WeakPolarHBondContact CD1-O 3.37Å; F9-Q20 HydrophobicContact CE1-CB 4.19Å; F9-Q20 HydrophobicContact CE1-CG 4.46Å; F9-Q20 HydrophobicContact CE2-CG 3.99Å; F9-Q20 HydrophobicContact CZ-CB 3.77Å; F9-Q20 HydrophobicContact CZ-CG 3.57Å; F9-V57 PolarHBondContact N-O 3.37Å; F9-V57 CarbonylContact O-C 3.07Å; F9-V57 PolarHBondContact O-N 2.81Å; F9-Y59 HydrophobicContact CB-CD2 4.45Å; F9-Y59 HydrophobicContact CB-CE2 3.9Å; F9-Y59 HydrophobicContact CD2-CD1 4.4Å; F9-Y59 AromaticContact CD2-CD2 3.26Å; F9-Y59 HydrophobicContact CD2-CD2 3.26Å; F9-Y59 HydrophobicContact CD2-CE1 4.34Å; F9-Y59 AromaticContact CD2-CE2 3.16Å; F9-Y59 HydrophobicContact CD2-CE2 3.16Å; F9-Y59 AromaticContact CD2-CG 3.89Å; F9-Y59 HydrophobicContact CD2-CG 3.89Å; F9-Y59 AromaticContact CD2-CZ 3.75Å; F9-Y59 HydrophobicContact CE2-CD1 4.22Å; F9-Y59 AromaticContact CE2-CD2 3.85Å; F9-Y59 HydrophobicContact CE2-CD2 3.85Å; F9-Y59 HydrophobicContact CE2-CE1 4.26Å; F9-Y59 AromaticContact CE2-CE2 3.88Å; F9-Y59 HydrophobicContact CE2-CE2 3.88Å; F9-Y59 HydrophobicContact CE2-CG 4.01Å; F9-Y59 HydrophobicContact CG-CD2 4.26Å; F9-Y59 AromaticContact CG-CE2 3.83Å; F9-Y59 HydrophobicContact CG-CE2 3.83Å
10V55.8Low48.4Very low2 Ų278.7 Ų78.71%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-97139.4166-1760000107.3I17 L18 I54 V56 F78V10-I17 HydrophobicContact CB-CB 4.38Å; V10-I17 HydrophobicContact CB-CD1 4.23Å; V10-I17 HydrophobicContact CG1-CD1 3.56Å; V10-I17 HydrophobicContact CG1-CG1 4.48Å; V10-I17 WeakPolarHBondContact O-CA 3.07Å; V10-I17 VanDerWaalsContact O-CB 3.32Å; V10-I17 WeakPolarHBondContact O-CB 2.81Å; V10-I17 PolarHBondContact O-N 3.43Å; V10-L18 HydrophobicContact CB-CD1 3.92Å; V10-L18 HydrophobicContact CB-CG 4.05Å; V10-L18 HydrophobicContact CG2-CD1 3.46Å; V10-L18 VanDerWaalsContact CG2-CD1 3.46Å; V10-L18 HydrophobicContact CG2-CG 4.17Å; V10-L18 PolarHBondContact O-N 3.18Å; V10-I54 HydrophobicContact CG1-CG2 3.47Å; V10-I54 VanDerWaalsContact CG1-CG2 3.47Å; V10-V56 HydrophobicContact CG1-CG2 4.35Å; V10-V56 HydrophobicContact CG2-CG1 4.42Å; V10-V56 HydrophobicContact CG2-CG2 4.4Å; V10-F78 HydrophobicContact CB-CZ 4.47Å; V10-F78 HydrophobicContact CG1-CE1 4.37Å; V10-F78 HydrophobicContact CG1-CZ 4.22Å; V10-F78 HydrophobicContact CG2-CD2 4.03Å; V10-F78 HydrophobicContact CG2-CE1 4.35Å; V10-F78 HydrophobicContact CG2-CE2 3.4Å; V10-F78 HydrophobicContact CG2-CZ 3.59Å
11S54.8Low48.4Very low14 Ų1475.5 Ų75.510%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-130.6141.7177.3680000112.5Q15 I54 R55S11-Q15 CarbonylContact C-O 3.59Å; S11-Q15 WeakPolarHBondContact CA-O 3.36Å; S11-Q15 WeakPolarHBondContact CB-O 3.47Å; S11-I54 CarbonylContact O-C 3.56Å; S11-R55 PolarHBondContact N-O 2.96Å; S11-R55 PolarHBondContact O-N 3Å; S11-R55 PolarHBondContact OG-O 3.3Å
12L51.3Low49.1Very low0 Ų070 Ų700%036%0.36CS..EExtended strand (participates in β ladder)trans-101.9116.4168.9-59171.3000108.6N14 Q15 I17 F45 L49 F50 I54L12-N14 PolarHBondContact O-N 2.81Å; L12-Q15 PolarHBondContact N-O 3.4Å; L12-Q15 PolarHBondContact O-N 2.87Å; L12-I17 HydrophobicContact CB-CD1 4.42Å; L12-I17 HydrophobicContact CB-CG1 4.39Å; L12-I17 HydrophobicContact CD1-CD1 3.81Å; L12-I17 HydrophobicContact CD1-CG1 3.96Å; L12-I17 HydrophobicContact CD2-CD1 3.5Å; L12-I17 HydrophobicContact CD2-CG1 4.34Å; L12-I17 HydrophobicContact CG-CD1 3.27Å; L12-I17 HydrophobicContact CG-CG1 3.55Å; L12-F45 HydrophobicContact CD1-CB 3.84Å; L12-F45 HydrophobicContact CD1-CD1 3.74Å; L12-F45 HydrophobicContact CD1-CD2 3.92Å; L12-F45 HydrophobicContact CD1-CE1 4.33Å; L12-F45 HydrophobicContact CD1-CG 3.52Å; L12-L49 HydrophobicContact CB-CD1 3.78Å; L12-L49 HydrophobicContact CB-CD2 4.2Å; L12-L49 HydrophobicContact CB-CG 3.68Å; L12-L49 HydrophobicContact CD1-CB 4.5Å; L12-L49 HydrophobicContact CD1-CD2 3.98Å; L12-L49 HydrophobicContact CD1-CG 3.7Å; L12-L49 HydrophobicContact CG-CG 4.26Å; L12-F50 HydrophobicContact CD1-CD2 4.1Å; L12-I54 HydrophobicContact CD2-CB 3.96Å; L12-I54 HydrophobicContact CD2-CD1 3.57Å; L12-I54 HydrophobicContact CD2-CG1 3.35Å; L12-I54 HydrophobicContact CD2-CG2 3.95Å
13R52.6Low49.6Very low142 Ų14269 Ų6954%0.53635%0.349SS..THydrogen-bonded Turntrans44.139.9175.3-61.2-175.6175.9-176.40.9114.2L49 G52 P53R13-L49 HydrophobicContact CB-CD1 4.13Å; R13-L49 HydrophobicContact CG-CD1 4.35Å; R13-G52 VanDerWaalsContact NE-CA 3.29Å; R13-P53 HydrophobicContact CG-CG 3.99Å; R13-P53 PolarHBondContact N-O 3.24Å
14N53.6Low50.2Low137 Ų13761.7 Ų61.773%0.73332%0.324SS*.THydrogen-bonded Turntrans83.42-176.5-43-39.3000117.3L12L12-N14 PolarHBondContact O-N 2.81Å
15Q50.5Low50.9Low109 Ų10955 Ų5551%0.50929%0.29SS..EExtended strand (participates in β ladder)trans-89.1117.4164.4-68.2-166.8-300109.8S11 L12 I17S11-Q15 CarbonylContact C-O 3.59Å; S11-Q15 WeakPolarHBondContact CA-O 3.36Å; S11-Q15 WeakPolarHBondContact CB-O 3.47Å; L12-Q15 PolarHBondContact N-O 3.4Å; L12-Q15 PolarHBondContact O-N 2.87Å; Q15-I17 PolarHBondContact O-N 3.26Å
16T54Low50.9Low82 Ų8253 Ų5350%0.50329%0.287SS..EExtended strand (participates in β ladder)trans-60116.8169.8-600000110.1F9 L18F9-T16 HydrophobicContact CB-CG2 4.46Å; F9-T16 HydrophobicContact CD1-CG2 3.55Å; F9-T16 HydrophobicContact CE1-CG2 4.29Å; F9-T16 HydrophobicContact CG-CG2 4.46Å; T16-L18 WeakPolarHBondContact CG2-O 2.82Å
17I54Low51.2Low18 Ų1858.3 Ų58.39%0.09231%0.309CS..  trans-79.9-44175.7-57.8172.3000111.2V10 L12 Q15 V41 F45 I54V10-I17 HydrophobicContact CB-CB 4.38Å; V10-I17 HydrophobicContact CB-CD1 4.23Å; V10-I17 HydrophobicContact CG1-CD1 3.56Å; V10-I17 HydrophobicContact CG1-CG1 4.48Å; V10-I17 WeakPolarHBondContact O-CA 3.07Å; V10-I17 VanDerWaalsContact O-CB 3.32Å; V10-I17 WeakPolarHBondContact O-CB 2.81Å; V10-I17 PolarHBondContact O-N 3.43Å; L12-I17 HydrophobicContact CB-CD1 4.42Å; L12-I17 HydrophobicContact CB-CG1 4.39Å; L12-I17 HydrophobicContact CD1-CD1 3.81Å; L12-I17 HydrophobicContact CD1-CG1 3.96Å; L12-I17 HydrophobicContact CD2-CD1 3.5Å; L12-I17 HydrophobicContact CD2-CG1 4.34Å; L12-I17 HydrophobicContact CG-CD1 3.27Å; L12-I17 HydrophobicContact CG-CG1 3.55Å; Q15-I17 PolarHBondContact O-N 3.26Å; I17-V41 WeakPolarHBondContact O-CG1 3.32Å; I17-F45 HydrophobicContact CB-CE2 4.01Å; I17-F45 HydrophobicContact CB-CZ 3.71Å; I17-F45 HydrophobicContact CG1-CE1 4.17Å; I17-F45 HydrophobicContact CG1-CE2 3.98Å; I17-F45 HydrophobicContact CG1-CZ 3.72Å; I17-F45 HydrophobicContact CG2-CD2 4.36Å; I17-F45 HydrophobicContact CG2-CE2 3.29Å; I17-F45 HydrophobicContact CG2-CZ 3.47Å; I17-F45 VanDerWaalsContact CG2-CZ 3.47Å; I17-I54 HydrophobicContact CD1-CG2 4.42Å
18L52Low50.9Low1 Ų162.6 Ų62.61%0.00533%0.326CS..SBendtrans-108.6132-174.1-58.4-178.6000110.6Y8 F9 V10 T16 T37 I38 V41Y8-L18 HydrophobicContact CD2-CD1 4.19Å; Y8-L18 HydrophobicContact CE2-CD1 3.73Å; F9-L18 WeakPolarHBondContact CD1-O 3.37Å; V10-L18 HydrophobicContact CB-CD1 3.92Å; V10-L18 HydrophobicContact CB-CG 4.05Å; V10-L18 HydrophobicContact CG2-CD1 3.46Å; V10-L18 VanDerWaalsContact CG2-CD1 3.46Å; V10-L18 HydrophobicContact CG2-CG 4.17Å; V10-L18 PolarHBondContact O-N 3.18Å; T16-L18 WeakPolarHBondContact CG2-O 2.82Å; L18-T37 HydrophobicContact CB-CG2 4.15Å; L18-T37 HydrophobicContact CD1-CG2 4.39Å; L18-T37 HydrophobicContact CD2-CG2 4.19Å; L18-T37 HydrophobicContact CG-CG2 4.47Å; L18-I38 HydrophobicContact CD1-CD1 4.39Å; L18-I38 HydrophobicContact CD1-CG1 3.57Å; L18-I38 VanDerWaalsContact CD2-CA 3.42Å; L18-I38 HydrophobicContact CD2-CB 3.96Å; L18-I38 HydrophobicContact CD2-CG1 3.49Å; L18-I38 VanDerWaalsContact CD2-CG1 3.49Å; L18-I38 HydrophobicContact CG-CG1 4.09Å; L18-V41 HydrophobicContact CD2-CB 4.16Å; L18-V41 HydrophobicContact CD2-CG2 4.33Å
19S50.2Low50.9Low69 Ų6966.9 Ų66.948%0.48335%0.347SS..  trans-74.6154.3165.757.30000110.6I21 V41S19-I21 PolarHBondContact O-N 2.85Å; S19-V41 WeakPolarHBondContact OG-CG2 3.42Å
20Q46.1Very low50.9Low105 Ų10566.4 Ų66.449%0.49134%0.344SS..  trans-41.2128.9171.7-136.6167.311.800111.3F9 S63F9-Q20 HydrophobicContact CE1-CB 4.19Å; F9-Q20 HydrophobicContact CE1-CG 4.46Å; F9-Q20 HydrophobicContact CE2-CG 3.99Å; F9-Q20 HydrophobicContact CZ-CB 3.77Å; F9-Q20 HydrophobicContact CZ-CG 3.57Å; Q20-S63 PolarHBondContact NE2-OG 2.84Å
21I48.1Very low50.9Low12 Ų1268.4 Ų68.46%0.06235%0.354CS..  trans-68.6126.4161.8-53.4158.8000106.5Y8 S19 F23 V25 V33Y8-I21 HydrophobicContact CD1-CD1 3.81Å; Y8-I21 HydrophobicContact CE1-CD1 3.05Å; Y8-I21 HydrophobicContact CE1-CG1 4.11Å; Y8-I21 HydrophobicContact CE2-CD1 4.34Å; Y8-I21 WeakPolarHBondContact OH-CD1 3.31Å; S19-I21 PolarHBondContact O-N 2.85Å; I21-F23 HydrophobicContact CG2-CD1 3.75Å; I21-F23 HydrophobicContact CG2-CD2 3.59Å; I21-F23 HydrophobicContact CG2-CE1 3.59Å; I21-F23 HydrophobicContact CG2-CE2 3.44Å; I21-F23 VanDerWaalsContact CG2-CE2 3.44Å; I21-F23 HydrophobicContact CG2-CG 3.74Å; I21-F23 HydrophobicContact CG2-CZ 3.43Å; I21-F23 VanDerWaalsContact CG2-CZ 3.43Å; I21-F23 WeakPolarHBondContact CG2-O 3.46Å; I21-F23 PolarHBondContact O-N 2.91Å; I21-F23 VanDerWaalsContact O-N 3.16Å; I21-V25 HydrophobicContact CD1-CG2 3.87Å; I21-V25 HydrophobicContact CG2-CG2 4.36Å; I21-V33 HydrophobicContact CD1-CB 4Å; I21-V33 HydrophobicContact CD1-CG1 3.53Å; I21-V33 HydrophobicContact CG1-CG1 3.95Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å
22P44.7Very low51Low127 Ų12769.6 Ų69.683%0.82536%0.363SS*.SBendtrans-72.8-3.9-177.126.8-30.8000113.8
23F44.3Very low51.3Low122 Ų12270.6 Ų70.654%0.53537%0.369SS..SBendtrans-128.5152.6-178.750.6-93000111.5I21 V25 V33I21-F23 HydrophobicContact CG2-CD1 3.75Å; I21-F23 HydrophobicContact CG2-CD2 3.59Å; I21-F23 HydrophobicContact CG2-CE1 3.59Å; I21-F23 HydrophobicContact CG2-CE2 3.44Å; I21-F23 VanDerWaalsContact CG2-CE2 3.44Å; I21-F23 HydrophobicContact CG2-CG 3.74Å; I21-F23 HydrophobicContact CG2-CZ 3.43Å; I21-F23 VanDerWaalsContact CG2-CZ 3.43Å; I21-F23 WeakPolarHBondContact CG2-O 3.46Å; I21-F23 PolarHBondContact O-N 2.91Å; I21-F23 VanDerWaalsContact O-N 3.16Å; F23-V25 HydrophobicContact CD2-CG2 3.96Å; F23-V25 HydrophobicContact CE2-CG2 4Å; F23-V33 HydrophobicContact CE2-CG1 4.23Å; F23-V33 HydrophobicContact CZ-CG1 4.34Å
24A45.6Very low51.8Low41 Ų4164 Ų6434%0.33934%0.344SS..  trans-70.2136.1178.400000111.8H5H5-A24 VanDerWaalsContact CA-CB 3.45Å; H5-A24 HydrophobicContact CB-CB 3.72Å; H5-A24 WeakPolarHBondContact ND1-CB 3.37Å
25V50.4Low52.3Low4 Ų457.5 Ų57.52%0.02431%0.31CS..  trans-125.1125.8174.8-171.10000108.8S6 I21 F23 E29 R30 V33S6-V25 PolarHBondContact O-N 3.08Å; S6-V25 PolarHBondContact OG-O 2.96Å; S6-V25 VanDerWaalsContact OG-O 3.05Å; I21-V25 HydrophobicContact CD1-CG2 3.87Å; I21-V25 HydrophobicContact CG2-CG2 4.36Å; F23-V25 HydrophobicContact CD2-CG2 3.96Å; F23-V25 HydrophobicContact CE2-CG2 4Å; V25-E29 HydrophobicContact CG1-CB 3.33Å; V25-E29 VanDerWaalsContact CG1-O 3.25Å; V25-E29 WeakPolarHBondContact CG1-O 3.11Å; V25-R30 HydrophobicContact CB-CG 4.2Å; V25-R30 HydrophobicContact CG1-CG 4.37Å; V25-R30 WeakPolarHBondContact O-CG 3.32Å; V25-V33 HydrophobicContact CB-CG2 4.31Å; V25-V33 HydrophobicContact CG1-CB 4.35Å; V25-V33 HydrophobicContact CG1-CG2 3.59Å; V25-V33 HydrophobicContact CG2-CB 4.14Å; V25-V33 HydrophobicContact CG2-CG1 4.29Å; V25-V33 HydrophobicContact CG2-CG2 3.71Å
26P48.7Very low52.9Low67 Ų6754.3 Ų54.344%0.43530%0.297SS..  trans-48.9144171.2-26.333.6000111.3E28 E29 R30P26-E28 PolarHBondContact O-N 3.16Å; P26-E29 HydrophobicContact CB-CB 4.33Å; P26-E29 HydrophobicContact CB-CG 4.37Å; P26-E29 WeakPolarHBondContact CD-OE2 3.33Å; P26-E29 HydrophobicContact CG-CB 4.49Å; P26-E29 HydrophobicContact CG-CG 4.37Å; P26-E29 CarbonylContact O-C 3.53Å; P26-E29 WeakPolarHBondContact O-CA 3.41Å; P26-E29 PolarHBondContact O-N 2.73Å; P26-R30 WeakPolarHBondContact O-CG 3.19Å; P26-R30 PolarHBondContact O-N 2.85Å
27F50.6Low53.2Low125 Ų12551.2 Ų51.255%0.54828%0.278SS..Hα-helixtrans-47-43-176.4178.7-94.7000113.1E29 R30 M58F27-E29 VanDerWaalsContact C-N 3.32Å; F27-E29 PolarHBondContact O-N 3.12Å; F27-R30 WeakPolarHBondContact O-CB 3.26Å; F27-R30 PolarHBondContact O-N 2.84Å; F27-R30 VanDerWaalsContact O-N 3.16Å; F27-M58 HydrophobicContact CE2-CE 4.19Å; F27-M58 HydrophobicContact CE2-SD 3.79Å
28E48.8Very low53.6Low98 Ų9851 Ų5146%0.45828%0.277SS..Hα-helixtrans-67.5-31.4-179.2-53168.6-171.900112.5P26 F361P26-E28 PolarHBondContact O-N 3.16Å; E28-F361 HydrophobicContact CB-CD1 4.44Å; E28-F361 HydrophobicContact CB-CE1 3.46Å; E28-F361 VanDerWaalsContact CB-CE1 3.46Å; E28-F361 HydrophobicContact CB-CZ 3.94Å; E28-F361 HydrophobicContact CG-CE1 4.48Å
29E56Low54Low94 Ų9451.5 Ų51.544%0.43928%0.279SS..Hα-helixtrans-89.5-12.9174-67.9176.8-155.500112.5V25 P26 F27 L31 S32 V33V25-E29 HydrophobicContact CG1-CB 3.33Å; V25-E29 VanDerWaalsContact CG1-O 3.25Å; V25-E29 WeakPolarHBondContact CG1-O 3.11Å; P26-E29 HydrophobicContact CB-CB 4.33Å; P26-E29 HydrophobicContact CB-CG 4.37Å; P26-E29 WeakPolarHBondContact CD-OE2 3.33Å; P26-E29 HydrophobicContact CG-CB 4.49Å; P26-E29 HydrophobicContact CG-CG 4.37Å; P26-E29 CarbonylContact O-C 3.53Å; P26-E29 WeakPolarHBondContact O-CA 3.41Å; P26-E29 PolarHBondContact O-N 2.73Å; F27-E29 VanDerWaalsContact C-N 3.32Å; F27-E29 PolarHBondContact O-N 3.12Å; E29-L31 PolarHBondContact O-N 3.21Å; E29-S32 WeakPolarHBondContact CA-OG 2.99Å; E29-S32 WeakPolarHBondContact O-CA 3.35Å; E29-S32 WeakPolarHBondContact O-CB 3.45Å; E29-S32 PolarHBondContact O-N 3.11Å; E29-S32 PolarHBondContact O-OG 3.4Å; E29-V33 PolarHBondContact O-N 3.36Å; E29-V33 VanDerWaalsContact O-N 3.09Å
30R57Low54.5Low25 Ų2554.8 Ų54.89%0.09429%0.285CS..Hα-helixtrans-57.5-43.1-174.9-75.2177.3-164.6178.50.4110.5S6 Y8 V25 P26 F27 S32 V33 C34 E66S6-R30 VanDerWaalsContact CB-CZ 3.46Å; S6-R30 VanDerWaalsContact OG-CZ 3.23Å; S6-R30 PolarHBondContact OG-NE 2.79Å; S6-R30 PolarHBondContact OG-NH2 3.23Å; Y8-R30 HydrophobicContact CD1-CB 4.07Å; Y8-R30 HydrophobicContact CE1-CB 4.38Å; Y8-R30 WeakPolarHBondContact CE1-O 3.41Å; V25-R30 HydrophobicContact CB-CG 4.2Å; V25-R30 HydrophobicContact CG1-CG 4.37Å; V25-R30 WeakPolarHBondContact O-CG 3.32Å; P26-R30 WeakPolarHBondContact O-CG 3.19Å; P26-R30 PolarHBondContact O-N 2.85Å; F27-R30 WeakPolarHBondContact O-CB 3.26Å; F27-R30 PolarHBondContact O-N 2.84Å; F27-R30 VanDerWaalsContact O-N 3.16Å; R30-S32 VanDerWaalsContact C-N 3.31Å; R30-S32 PolarHBondContact O-N 2.81Å; R30-V33 PolarHBondContact O-N 3.16Å; R30-C34 PolarHBondContact O-N 3.22Å; R30-C34 PolarHBondContact O-SG 2.72Å; R30-E66 IonicContact CZ-OE1 2.86Å; R30-E66 IonicContact NH1-OE1 2.7Å; R30-E66 PolarHBondContact NH1-OE1 3.49Å; R30-E66 IonicContact NH1-OE2 2.73Å; R30-E66 PolarHBondContact NH1-OE2 2.97Å; R30-E66 IonicContact NH2-OE1 4Å; R30-E66 PolarHBondContact NH2-OE1 3.39Å; R30-E66 VanDerWaalsContact NH2-OE1 3.12Å
31L55.5Low55Low44 Ų4451.4 Ų51.423%0.2327%0.272CS..Hα-helixtrans-71.5-25.8176.7-63.2175.1000112.5E29 V33 C34 F78 E81 Q85E29-L31 PolarHBondContact O-N 3.21Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-C34 WeakPolarHBondContact O-CB 3.34Å; L31-C34 PolarHBondContact O-N 3.27Å; L31-F78 HydrophobicContact CD2-CB 4.48Å; L31-F78 HydrophobicContact CD2-CD2 4.42Å; L31-E81 HydrophobicContact CB-CB 3.89Å; L31-E81 HydrophobicContact CB-CG 3.24Å; L31-E81 HydrophobicContact CD1-CB 3.91Å; L31-E81 HydrophobicContact CD1-CG 3.88Å; L31-E81 HydrophobicContact CG-CB 4.42Å; L31-E81 HydrophobicContact CG-CG 4.17Å; L31-Q85 VanDerWaalsContact C-NE2 3.32Å; L31-Q85 PolarHBondContact O-NE2 2.98Å; L31-Q85 PolarHBondContact O-OE1 3.25Å
32S56.2Low55.5Low40 Ų4055 Ų5528%0.2829%0.285SS..Hα-helixtrans-66.8-31.4173.580.50000113.9E29 R30 C34 Q85E29-S32 WeakPolarHBondContact CA-OG 2.99Å; E29-S32 WeakPolarHBondContact O-CA 3.35Å; E29-S32 WeakPolarHBondContact O-CB 3.45Å; E29-S32 PolarHBondContact O-N 3.11Å; E29-S32 PolarHBondContact O-OG 3.4Å; R30-S32 VanDerWaalsContact C-N 3.31Å; R30-S32 PolarHBondContact O-N 2.81Å; S32-C34 VanDerWaalsContact C-N 3.32Å; S32-Q85 VanDerWaalsContact CA-CD 3.44Å; S32-Q85 PolarHBondContact O-OE1 2.84Å
33V58.8Low56Low21 Ų2157.5 Ų57.513%0.12728%0.277CS..Hα-helixtrans-82.2-16.2175.6-174.70000111.6Y8 I21 F23 V25 E29 R30 L31 F35 V36 T37Y8-V33 HydrophobicContact CE1-CB 4.47Å; Y8-V33 PolarHBondContact OH-O 3.44Å; I21-V33 HydrophobicContact CD1-CB 4Å; I21-V33 HydrophobicContact CD1-CG1 3.53Å; I21-V33 HydrophobicContact CG1-CG1 3.95Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å; F23-V33 HydrophobicContact CE2-CG1 4.23Å; F23-V33 HydrophobicContact CZ-CG1 4.34Å; V25-V33 HydrophobicContact CB-CG2 4.31Å; V25-V33 HydrophobicContact CG1-CB 4.35Å; V25-V33 HydrophobicContact CG1-CG2 3.59Å; V25-V33 HydrophobicContact CG2-CB 4.14Å; V25-V33 HydrophobicContact CG2-CG1 4.29Å; V25-V33 HydrophobicContact CG2-CG2 3.71Å; E29-V33 PolarHBondContact O-N 3.36Å; E29-V33 VanDerWaalsContact O-N 3.09Å; R30-V33 PolarHBondContact O-N 3.16Å; L31-V33 VanDerWaalsContact C-N 3.34Å; V33-F35 PolarHBondContact O-N 3.16Å; V33-V36 PolarHBondContact O-N 2.85Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.01Å; V33-T37 PolarHBondContact O-OG1 2.78Å
34C62.2Low56.7Low2 Ų257.8 Ų57.81%0.01429%0.292CS..Hα-helixtrans-57.8-48.9179.6-75.90000111.3Y8 R30 L31 S32 V36 T37 I38 F78 V82Y8-C34 HydrophobicContact CE2-CB 4.21Å; Y8-C34 WeakPolarHBondContact CE2-SG 3.44Å; Y8-C34 WeakPolarHBondContact OH-CA 3.43Å; Y8-C34 PolarHBondContact OH-N 3.21Å; R30-C34 PolarHBondContact O-N 3.22Å; R30-C34 PolarHBondContact O-SG 2.72Å; L31-C34 WeakPolarHBondContact O-CB 3.34Å; L31-C34 PolarHBondContact O-N 3.27Å; S32-C34 VanDerWaalsContact C-N 3.32Å; C34-V36 PolarHBondContact O-N 3.02Å; C34-T37 PolarHBondContact O-N 2.9Å; C34-I38 HydrophobicContact CB-CD1 4.18Å; C34-I38 WeakPolarHBondContact O-CB 3.36Å; C34-I38 VanDerWaalsContact O-CD1 3.23Å; C34-I38 WeakPolarHBondContact O-CD1 3.39Å; C34-I38 WeakPolarHBondContact O-CG1 3.5Å; C34-I38 PolarHBondContact O-N 2.82Å; C34-F78 HydrophobicContact CB-CD2 4.44Å; C34-F78 HydrophobicContact CB-CE2 4.03Å; C34-V82 HydrophobicContact CB-CG2 3.81Å
35F64.5Low57.7Low2 Ų256.9 Ų56.91%0.00928%0.28CS..Hα-helixtrans-57.8-50.3-178.5172.9-116.6000111.5V33 T37 I38 F39 Q85 Y91 F93 L113 F123V33-F35 PolarHBondContact O-N 3.16Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.81Å; F35-I38 PolarHBondContact O-N 3.41Å; F35-F39 VanDerWaalsContact O-CB 3.25Å; F35-F39 WeakPolarHBondContact O-CB 3.29Å; F35-F39 PolarHBondContact O-N 2.84Å; F35-Q85 HydrophobicContact CB-CB 4.07Å; F35-Q85 HydrophobicContact CG-CB 4.39Å; F35-Y91 HydrophobicContact CD1-CD1 4.25Å; F35-Y91 HydrophobicContact CD1-CD2 4.1Å; F35-Y91 AromaticContact CD1-CE1 3.93Å; F35-Y91 HydrophobicContact CD1-CE1 3.93Å; F35-Y91 AromaticContact CD1-CE2 3.78Å; F35-Y91 HydrophobicContact CD1-CE2 3.78Å; F35-Y91 HydrophobicContact CD1-CG 4.31Å; F35-Y91 AromaticContact CD1-CZ 3.68Å; F35-Y91 AromaticContact CE1-CD1 3.8Å; F35-Y91 HydrophobicContact CE1-CD1 3.8Å; F35-Y91 AromaticContact CE1-CD2 3.88Å; F35-Y91 HydrophobicContact CE1-CD2 3.88Å; F35-Y91 AromaticContact CE1-CE1 3.96Å; F35-Y91 HydrophobicContact CE1-CE1 3.96Å; F35-Y91 HydrophobicContact CE1-CE2 4.04Å; F35-Y91 AromaticContact CE1-CG 3.74Å; F35-Y91 HydrophobicContact CE1-CG 3.74Å; F35-F93 HydrophobicContact CE1-CE2 4.09Å; F35-F93 HydrophobicContact CZ-CD2 4.14Å; F35-F93 AromaticContact CZ-CE2 3.69Å; F35-F93 HydrophobicContact CZ-CE2 3.69Å; F35-L113 HydrophobicContact CD1-CD1 4.4Å; F35-L113 HydrophobicContact CE1-CD1 3.63Å; F35-L113 HydrophobicContact CZ-CD1 4.2Å; F35-F123 HydrophobicContact CD2-CE1 4.44Å; F35-F123 AromaticContact CD2-CZ 3.84Å; F35-F123 HydrophobicContact CD2-CZ 3.84Å; F35-F123 HydrophobicContact CE2-CE1 4.19Å; F35-F123 AromaticContact CE2-CE2 3.88Å; F35-F123 HydrophobicContact CE2-CE2 3.88Å; F35-F123 AromaticContact CE2-CZ 3.23Å; F35-F123 HydrophobicContact CE2-CZ 3.23Å; F35-F123 HydrophobicContact CZ-CE2 4.22Å; F35-F123 AromaticContact CZ-CZ 3.9Å; F35-F123 HydrophobicContact CZ-CZ 3.9Å
36V63.8Low59Low42 Ų4259.6 Ų59.626%0.25530%0.299SS..Hα-helixtrans-59.4-43.4178.4-179.50000110.9V33 C34 F39 F40 Y91V33-V36 PolarHBondContact O-N 2.85Å; C34-V36 PolarHBondContact O-N 3.02Å; V36-F39 WeakPolarHBondContact O-CB 3.38Å; V36-F39 PolarHBondContact O-N 3.05Å; V36-F40 HydrophobicContact CG1-CD2 3.71Å; V36-F40 HydrophobicContact CG1-CE2 3.49Å; V36-F40 VanDerWaalsContact CG1-CE2 3.49Å; V36-F40 WeakPolarHBondContact O-CD2 3.42Å; V36-F40 PolarHBondContact O-N 2.99Å; V36-Y91 HydrophobicContact CG2-CE1 4.26Å
37T59.3Low60.3Low16 Ų1657.7 Ų57.710%0.09829%0.289CS..Hα-helixtrans-66.7-44.4179.5-530000112Y8 L18 V33 C34 F35 F39 F40 V41Y8-T37 WeakPolarHBondContact OH-CB 3.36Å; Y8-T37 PolarHBondContact OH-OG1 2.82Å; L18-T37 HydrophobicContact CB-CG2 4.15Å; L18-T37 HydrophobicContact CD1-CG2 4.39Å; L18-T37 HydrophobicContact CD2-CG2 4.19Å; L18-T37 HydrophobicContact CG-CG2 4.47Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.01Å; V33-T37 PolarHBondContact O-OG1 2.78Å; C34-T37 PolarHBondContact O-N 2.9Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.81Å; T37-F39 VanDerWaalsContact C-N 3.29Å; T37-F39 PolarHBondContact O-N 3.41Å; T37-F40 PolarHBondContact O-N 2.82Å; T37-F40 VanDerWaalsContact O-N 3.17Å; T37-V41 HydrophobicContact CG2-CG2 4.07Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.08Å; T37-V41 PolarHBondContact O-N 3.12Å
38I62.4Low61.7Low14 Ų1455.5 Ų55.57%0.07229%0.289CS..Hα-helixtrans-62-41.6176.3-64.2156.4000110.6L18 C34 F35 F40 F78 V82 F122L18-I38 HydrophobicContact CD1-CD1 4.39Å; L18-I38 HydrophobicContact CD1-CG1 3.57Å; L18-I38 VanDerWaalsContact CD2-CA 3.42Å; L18-I38 HydrophobicContact CD2-CB 3.96Å; L18-I38 HydrophobicContact CD2-CG1 3.49Å; L18-I38 VanDerWaalsContact CD2-CG1 3.49Å; L18-I38 HydrophobicContact CG-CG1 4.09Å; C34-I38 HydrophobicContact CB-CD1 4.18Å; C34-I38 WeakPolarHBondContact O-CB 3.36Å; C34-I38 VanDerWaalsContact O-CD1 3.23Å; C34-I38 WeakPolarHBondContact O-CD1 3.39Å; C34-I38 WeakPolarHBondContact O-CG1 3.5Å; C34-I38 PolarHBondContact O-N 2.82Å; F35-I38 PolarHBondContact O-N 3.41Å; I38-F40 VanDerWaalsContact C-N 3.31Å; I38-F40 PolarHBondContact O-N 2.96Å; I38-F78 HydrophobicContact CD1-CE2 3.71Å; I38-F78 HydrophobicContact CD1-CZ 3.46Å; I38-F78 VanDerWaalsContact CD1-CZ 3.46Å; I38-F78 HydrophobicContact CG1-CZ 4.39Å; I38-V82 HydrophobicContact CD1-CB 4.39Å; I38-V82 HydrophobicContact CD1-CG1 3.84Å; I38-V82 HydrophobicContact CD1-CG2 3.56Å; I38-F122 HydrophobicContact CB-CE1 4.44Å; I38-F122 HydrophobicContact CG2-CD1 4.2Å; I38-F122 HydrophobicContact CG2-CE1 3.28Å; I38-F122 HydrophobicContact CG2-CE2 4.02Å; I38-F122 HydrophobicContact CG2-CZ 3.2Å
39F61.1Low63.2Low11 Ų1152 Ų525%0.04827%0.274CS..Hα-helixtrans-58.4-41.2174.4176.7-83.2000111.7F35 V36 T37 R42 F93 L113 G114 N115 V119F35-F39 VanDerWaalsContact O-CB 3.25Å; F35-F39 WeakPolarHBondContact O-CB 3.29Å; F35-F39 PolarHBondContact O-N 2.84Å; V36-F39 WeakPolarHBondContact O-CB 3.38Å; V36-F39 PolarHBondContact O-N 3.05Å; T37-F39 VanDerWaalsContact C-N 3.29Å; T37-F39 PolarHBondContact O-N 3.41Å; F39-R42 VanDerWaalsContact CZ-NH2 3.31Å; F39-R42 WeakPolarHBondContact O-CD 3.48Å; F39-R42 VanDerWaalsContact O-CG 3.25Å; F39-R42 WeakPolarHBondContact O-CG 3.38Å; F39-R42 PolarHBondContact O-NH1 3.33Å; F39-F93 HydrophobicContact CD2-CZ 4.39Å; F39-F93 AromaticContact CE2-CZ 3.92Å; F39-F93 HydrophobicContact CE2-CZ 3.92Å; F39-L113 HydrophobicContact CD1-CB 4.25Å; F39-L113 HydrophobicContact CD1-CD1 4.32Å; F39-L113 HydrophobicContact CD2-CB 4.25Å; F39-L113 HydrophobicContact CD2-CD1 4.2Å; F39-L113 HydrophobicContact CE1-CB 3.77Å; F39-L113 WeakPolarHBondContact CE1-O 3.19Å; F39-L113 HydrophobicContact CE2-CB 3.71Å; F39-L113 HydrophobicContact CE2-CD1 4.48Å; F39-L113 HydrophobicContact CG-CD1 4.14Å; F39-L113 HydrophobicContact CZ-CB 3.53Å; F39-L113 WeakPolarHBondContact CZ-O 3.44Å; F39-G114 WeakPolarHBondContact CE2-O 3.35Å; F39-G114 WeakPolarHBondContact CZ-O 3.39Å; F39-N115 HydrophobicContact CZ-CB 4.37Å; F39-V119 HydrophobicContact CD2-CG2 3.47Å; F39-V119 VanDerWaalsContact CD2-CG2 3.47Å; F39-V119 HydrophobicContact CE2-CG2 3.22Å; F39-V119 HydrophobicContact CZ-CG2 4.45Å
40F60.4Low64.5Low138 Ų13847.8 Ų47.861%0.60525%0.254SS*.Hα-helixtrans-80-36-179.5-77.4-65.2000114.4V36 T37 I38 L113V36-F40 HydrophobicContact CG1-CD2 3.71Å; V36-F40 HydrophobicContact CG1-CE2 3.49Å; V36-F40 VanDerWaalsContact CG1-CE2 3.49Å; V36-F40 WeakPolarHBondContact O-CD2 3.42Å; V36-F40 PolarHBondContact O-N 2.99Å; T37-F40 PolarHBondContact O-N 2.82Å; T37-F40 VanDerWaalsContact O-N 3.17Å; I38-F40 VanDerWaalsContact C-N 3.31Å; I38-F40 PolarHBondContact O-N 2.96Å; F40-L113 HydrophobicContact CZ-CD2 4.44Å
41V56.5Low65.8Low35 Ų3549.9 Ų49.921%0.21226%0.264CS..Hα-helixtrans-78.4-23.8-169.3-178.10000113.4I17 L18 S19 T37 R43I17-V41 WeakPolarHBondContact O-CG1 3.32Å; L18-V41 HydrophobicContact CD2-CB 4.16Å; L18-V41 HydrophobicContact CD2-CG2 4.33Å; S19-V41 WeakPolarHBondContact OG-CG2 3.42Å; T37-V41 HydrophobicContact CG2-CG2 4.07Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.08Å; T37-V41 PolarHBondContact O-N 3.12Å; V41-R43 PolarHBondContact O-N 3.19Å
42R59.3Low67.2Low87 Ų8747.8 Ų47.833%0.32825%0.253SS..  trans33.239.4159.8-94-175.8178.5111.8-4.6118.3F39 P44 N115F39-R42 VanDerWaalsContact CZ-NH2 3.31Å; F39-R42 WeakPolarHBondContact O-CD 3.48Å; F39-R42 VanDerWaalsContact O-CG 3.25Å; F39-R42 WeakPolarHBondContact O-CG 3.38Å; F39-R42 PolarHBondContact O-NH1 3.33Å; R42-P44 WeakPolarHBondContact O-CD 3.41Å; R42-N115 VanDerWaalsContact NH2-CB 3.34Å
43R55.3Low68.3Low179 Ų17949.4 Ų49.468%0.67526%0.263SS*.  trans-72.9126.8169.8-68.3-146.6174.2-171.40.2108.6V41 F45V41-R43 PolarHBondContact O-N 3.19Å; R43-F45 VanDerWaalsContact C-N 3.26Å; R43-F45 HydrophobicContact CB-CE1 3.97Å; R43-F45 HydrophobicContact CB-CE2 4.05Å; R43-F45 HydrophobicContact CB-CZ 3.61Å; R43-F45 WeakPolarHBondContact O-CD2 3.47Å; R43-F45 VanDerWaalsContact O-CE2 3.26Å; R43-F45 WeakPolarHBondContact O-CE2 3.21Å; R43-F45 PolarHBondContact O-N 3.17Å
44P57.9Low69.1Low128 Ų12849 Ų4983%0.83126%0.259SS*.  trans-68.689.4174.427.7-32.2000108.3R42R42-P44 WeakPolarHBondContact O-CD 3.41Å
45F67.1Low69.6Low23 Ų2355.8 Ų55.810%0.10129%0.285CS..  trans-70.4139.3168.7-54.9-70.3000108.8L12 I17 R43 L49 R125L12-F45 HydrophobicContact CD1-CB 3.84Å; L12-F45 HydrophobicContact CD1-CD1 3.74Å; L12-F45 HydrophobicContact CD1-CD2 3.92Å; L12-F45 HydrophobicContact CD1-CE1 4.33Å; L12-F45 HydrophobicContact CD1-CG 3.52Å; I17-F45 HydrophobicContact CB-CE2 4.01Å; I17-F45 HydrophobicContact CB-CZ 3.71Å; I17-F45 HydrophobicContact CG1-CE1 4.17Å; I17-F45 HydrophobicContact CG1-CE2 3.98Å; I17-F45 HydrophobicContact CG1-CZ 3.72Å; I17-F45 HydrophobicContact CG2-CD2 4.36Å; I17-F45 HydrophobicContact CG2-CE2 3.29Å; I17-F45 HydrophobicContact CG2-CZ 3.47Å; I17-F45 VanDerWaalsContact CG2-CZ 3.47Å; R43-F45 VanDerWaalsContact C-N 3.26Å; R43-F45 HydrophobicContact CB-CE1 3.97Å; R43-F45 HydrophobicContact CB-CE2 4.05Å; R43-F45 HydrophobicContact CB-CZ 3.61Å; R43-F45 WeakPolarHBondContact O-CD2 3.47Å; R43-F45 VanDerWaalsContact O-CE2 3.26Å; R43-F45 WeakPolarHBondContact O-CE2 3.21Å; R43-F45 PolarHBondContact O-N 3.17Å; F45-L49 HydrophobicContact CB-CD2 4.2Å; F45-L49 HydrophobicContact CD1-CD2 3.63Å; F45-L49 HydrophobicContact CG-CD2 4.3Å; F45-R125 PolarHBondContact O-NH1 3.43Å
46S77Confident69.9Low60 Ų6056.1 Ų56.142%0.4229%0.287SS..  trans-62.2149.3170.764.70000110.2S48 L49 F50S46-S48 PolarHBondContact O-N 3.19Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.18Å; S46-L49 PolarHBondContact O-N 3.4Å; S46-L49 WeakPolarHBondContact OG-CB 3.41Å; S46-L49 PolarHBondContact OG-N 2.71Å; S46-F50 PolarHBondContact O-N 3.04Å
47A76.8Confident70.2Confident27 Ų2756.1 Ų56.122%0.22329%0.287CS..Hα-helixtrans-52.8-36172.400000112.2L49 F50 K51 E239A47-L49 VanDerWaalsContact C-N 3.35Å; A47-L49 PolarHBondContact O-N 2.79Å; A47-F50 PolarHBondContact O-N 2.93Å; A47-K51 WeakPolarHBondContact O-CB 3.44Å; A47-K51 WeakPolarHBondContact O-CG 3.42Å; A47-K51 PolarHBondContact O-N 2.81Å; A47-E239 HydrophobicContact CB-CB 4Å; A47-E239 HydrophobicContact CB-CG 4.21Å
48S81Confident70.7Confident80 Ų8057.3 Ų57.356%0.55929%0.292SS*.Hα-helixtrans-63.8-36.1176.957.30000113.6S46 G52S46-S48 PolarHBondContact O-N 3.19Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.18Å; S48-G52 PolarHBondContact O-N 2.8Å
49L80.3Confident70.9Confident24 Ų2459.3 Ų59.313%0.12630%0.299CS..Hα-helixtrans-76-39.8177.8-176.962.8000110.8L12 R13 F45 S46 A47 K51 G52L12-L49 HydrophobicContact CB-CD1 3.78Å; L12-L49 HydrophobicContact CB-CD2 4.2Å; L12-L49 HydrophobicContact CB-CG 3.68Å; L12-L49 HydrophobicContact CD1-CB 4.5Å; L12-L49 HydrophobicContact CD1-CD2 3.98Å; L12-L49 HydrophobicContact CD1-CG 3.7Å; L12-L49 HydrophobicContact CG-CG 4.26Å; R13-L49 HydrophobicContact CB-CD1 4.13Å; R13-L49 HydrophobicContact CG-CD1 4.35Å; F45-L49 HydrophobicContact CB-CD2 4.2Å; F45-L49 HydrophobicContact CD1-CD2 3.63Å; F45-L49 HydrophobicContact CG-CD2 4.3Å; S46-L49 PolarHBondContact O-N 3.4Å; S46-L49 WeakPolarHBondContact OG-CB 3.41Å; S46-L49 PolarHBondContact OG-N 2.71Å; A47-L49 VanDerWaalsContact C-N 3.35Å; A47-L49 PolarHBondContact O-N 2.79Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.26Å; L49-G52 WeakPolarHBondContact O-CA 3.38Å; L49-G52 PolarHBondContact O-N 3.06Å
50F82Confident71.1Confident5 Ų561.4 Ų61.42%0.02231%0.311CS..Hα-helixtrans-66.9-33.3177.5-152.5-97.5000112.9L12 S46 A47 G52 I54 F122 R125 L126 K129 M240L12-F50 HydrophobicContact CD1-CD2 4.1Å; S46-F50 PolarHBondContact O-N 3.04Å; A47-F50 PolarHBondContact O-N 2.93Å; F50-G52 PolarHBondContact O-N 3.33Å; F50-I54 HydrophobicContact CE2-CD1 4.42Å; F50-I54 HydrophobicContact CZ-CD1 4.38Å; F50-F122 HydrophobicContact CE2-CE2 4.11Å; F50-F122 HydrophobicContact CZ-CE2 4.11Å; F50-R125 HydrophobicContact CD1-CB 4.3Å; F50-R125 HydrophobicContact CE1-CB 3.91Å; F50-R125 HydrophobicContact CZ-CB 4.35Å; F50-L126 HydrophobicContact CE1-CD2 4.45Å; F50-L126 HydrophobicContact CZ-CD2 3.82Å; F50-L126 HydrophobicContact CZ-CG 4.48Å; F50-K129 HydrophobicContact CD1-CB 4.19Å; F50-K129 HydrophobicContact CD1-CD 4.46Å; F50-K129 HydrophobicContact CD1-CG 4.44Å; F50-K129 HydrophobicContact CE1-CB 3.72Å; F50-K129 HydrophobicContact CE1-CG 4.09Å; F50-K129 WeakPolarHBondContact O-CD 3.47Å; F50-K129 PolarHBondContact O-NZ 2.72Å; F50-M240 HydrophobicContact CB-SD 4.26Å; F50-M240 HydrophobicContact CD1-CE 3.92Å; F50-M240 HydrophobicContact CD1-SD 3.67Å; F50-M240 HydrophobicContact CG-SD 4.43Å
51K85.2Confident71.3Confident69 Ų6957.5 Ų57.530%0.330%0.301SS..THydrogen-bonded Turntrans-64.4-23.4168.5-77179.1-176.1-178.10113.5A47 L49 K129 Y132 E239 M240A47-K51 WeakPolarHBondContact O-CB 3.44Å; A47-K51 WeakPolarHBondContact O-CG 3.42Å; A47-K51 PolarHBondContact O-N 2.81Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.26Å; K51-K129 PolarHBondContact O-NZ 2.76Å; K51-Y132 HydrophobicContact CB-CE1 4.39Å; K51-Y132 WeakPolarHBondContact O-CE1 3.37Å; K51-E239 WeakPolarHBondContact CE-O 3.35Å; K51-E239 PolarHBondContact NZ-O 3.13Å; K51-M240 HydrophobicContact CB-CE 4.3Å; K51-M240 WeakPolarHBondContact CE-O 3.16Å; K51-M240 HydrophobicContact CG-CE 3.49Å; K51-M240 VanDerWaalsContact CG-CE 3.49Å; K51-M240 HydrophobicContact CG-SD 3.88Å; K51-M240 PolarHBondContact NZ-O 3.31Å; K51-M240 VanDerWaalsContact NZ-O 3.12Å
52G83.6Confident71.9Confident1 Ų159.3 Ų59.31%0.0132%0.319CS..SBendtrans-63.9168.9174.500000113.7R13 S48 L49 F50 I54 K129R13-G52 VanDerWaalsContact NE-CA 3.29Å; S48-G52 PolarHBondContact O-N 2.8Å; L49-G52 WeakPolarHBondContact O-CA 3.38Å; L49-G52 PolarHBondContact O-N 3.06Å; F50-G52 PolarHBondContact O-N 3.33Å; G52-I54 PolarHBondContact O-N 3.49Å; G52-K129 PolarHBondContact O-NZ 3.5Å
53P79.8Confident72.2Confident74 Ų7458.1 Ų58.148%0.48132%0.324SS..PPolyproline II helixtrans-60.3129.9172.325.4-34.3000110.2R13R13-P53 HydrophobicContact CG-CG 3.99Å; R13-P53 PolarHBondContact N-O 3.24Å
54I75.5Confident72.9Confident11 Ų1153.2 Ų53.26%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-97.3122.2172.5-46.8-160.5000106.3V10 S11 L12 I17 F50 G52 F75 K129V10-I54 HydrophobicContact CG1-CG2 3.47Å; V10-I54 VanDerWaalsContact CG1-CG2 3.47Å; S11-I54 CarbonylContact O-C 3.56Å; L12-I54 HydrophobicContact CD2-CB 3.96Å; L12-I54 HydrophobicContact CD2-CD1 3.57Å; L12-I54 HydrophobicContact CD2-CG1 3.35Å; L12-I54 HydrophobicContact CD2-CG2 3.95Å; I17-I54 HydrophobicContact CD1-CG2 4.42Å; F50-I54 HydrophobicContact CE2-CD1 4.42Å; F50-I54 HydrophobicContact CZ-CD1 4.38Å; G52-I54 PolarHBondContact O-N 3.49Å; I54-F75 HydrophobicContact CB-CD2 3.7Å; I54-F75 HydrophobicContact CB-CE2 3.53Å; I54-F75 HydrophobicContact CB-CZ 4.35Å; I54-F75 HydrophobicContact CD1-CE2 3.8Å; I54-F75 HydrophobicContact CD1-CZ 4.26Å; I54-F75 HydrophobicContact CG1-CD2 4.5Å; I54-F75 HydrophobicContact CG1-CE2 3.85Å; I54-F75 HydrophobicContact CG1-CZ 4.31Å; I54-F75 HydrophobicContact CG2-CD2 3.98Å; I54-F75 HydrophobicContact CG2-CE2 3.95Å; I54-K129 HydrophobicContact CD1-CD 4.34Å; I54-K129 HydrophobicContact CD1-CG 4.24Å
55R73.1Confident73.5Confident146 Ų14650.2 Ų50.255%0.55130%0.295SS*.EExtended strand (participates in β ladder)trans-107.1121.6176-69.1-176177.3-159.1-2109S11S11-R55 PolarHBondContact N-O 2.96Å; S11-R55 PolarHBondContact O-N 3Å; S11-R55 PolarHBondContact OG-O 3.3Å
56V71.7Confident73.6Confident8 Ų851.8 Ų51.85%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-93.8124.2174-176.50000108.3V10 D70 I74 F75 F78V10-V56 HydrophobicContact CG1-CG2 4.35Å; V10-V56 HydrophobicContact CG2-CG1 4.42Å; V10-V56 HydrophobicContact CG2-CG2 4.4Å; V56-D70 PolarHBondContact N-OD2 3.5Å; V56-I74 HydrophobicContact CB-CG2 3.7Å; V56-I74 HydrophobicContact CG1-CG2 3.73Å; V56-F75 HydrophobicContact CG2-CD2 4.49Å; V56-F78 HydrophobicContact CG1-CB 4.44Å; V56-F78 HydrophobicContact CG2-CB 3.77Å; V56-F78 HydrophobicContact CG2-CD1 3.96Å; V56-F78 HydrophobicContact CG2-CD2 4.32Å; V56-F78 HydrophobicContact CG2-CG 3.75Å
57V69.7Low72.8Confident43 Ų4356.7 Ų56.726%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-121.2115.8179.3-172.90000108.6F9 Y59 P65F9-V57 PolarHBondContact N-O 3.37Å; F9-V57 CarbonylContact O-C 3.07Å; F9-V57 PolarHBondContact O-N 2.81Å; V57-Y59 HydrophobicContact CB-CD2 4.47Å; V57-Y59 HydrophobicContact CB-CE2 3.82Å; V57-Y59 HydrophobicContact CG1-CD2 3.93Å; V57-Y59 HydrophobicContact CG1-CE2 3.34Å; V57-Y59 WeakPolarHBondContact O-CD2 3.39Å; V57-P65 HydrophobicContact CG1-CB 4Å
58M69.5Low72Confident41 Ų4157.7 Ų57.720%0.20234%0.342CS..EExtended strand (participates in β ladder)trans-86.7147.3173.3-65.1-177.3-73.100109.9F27 P65 E66 I74F27-M58 HydrophobicContact CE2-CE 4.19Å; F27-M58 HydrophobicContact CE2-SD 3.79Å; M58-P65 CarbonylContact O-C 3.56Å; M58-P65 WeakPolarHBondContact O-CA 2.9Å; M58-E66 HydrophobicContact CB-CB 4.33Å; M58-E66 HydrophobicContact CB-CG 4.45Å; M58-E66 WeakPolarHBondContact CB-OE2 3.22Å; M58-E66 PolarHBondContact O-N 2.94Å; M58-I74 HydrophobicContact CE-CD1 4.42Å; M58-I74 HydrophobicContact CE-CG2 4.32Å
59Y67Low70.7Confident56 Ų5660.5 Ų60.522%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-126.7138.3179.9-72.9-113.1000110S6 G7 F9 V57 S63 V64 P65S6-Y59 WeakPolarHBondContact CB-O 3.37Å; G7-Y59 PolarHBondContact N-O 3.16Å; G7-Y59 VanDerWaalsContact N-O 3.16Å; G7-Y59 CarbonylContact O-C 3.58Å; G7-Y59 WeakPolarHBondContact O-CA 3.25Å; G7-Y59 WeakPolarHBondContact O-CB 3.44Å; G7-Y59 PolarHBondContact O-N 2.84Å; F9-Y59 HydrophobicContact CB-CD2 4.45Å; F9-Y59 HydrophobicContact CB-CE2 3.9Å; F9-Y59 HydrophobicContact CD2-CD1 4.4Å; F9-Y59 AromaticContact CD2-CD2 3.26Å; F9-Y59 HydrophobicContact CD2-CD2 3.26Å; F9-Y59 HydrophobicContact CD2-CE1 4.34Å; F9-Y59 AromaticContact CD2-CE2 3.16Å; F9-Y59 HydrophobicContact CD2-CE2 3.16Å; F9-Y59 AromaticContact CD2-CG 3.89Å; F9-Y59 HydrophobicContact CD2-CG 3.89Å; F9-Y59 AromaticContact CD2-CZ 3.75Å; F9-Y59 HydrophobicContact CE2-CD1 4.22Å; F9-Y59 AromaticContact CE2-CD2 3.85Å; F9-Y59 HydrophobicContact CE2-CD2 3.85Å; F9-Y59 HydrophobicContact CE2-CE1 4.26Å; F9-Y59 AromaticContact CE2-CE2 3.88Å; F9-Y59 HydrophobicContact CE2-CE2 3.88Å; F9-Y59 HydrophobicContact CE2-CG 4.01Å; F9-Y59 HydrophobicContact CG-CD2 4.26Å; F9-Y59 AromaticContact CG-CE2 3.83Å; F9-Y59 HydrophobicContact CG-CE2 3.83Å; V57-Y59 HydrophobicContact CB-CD2 4.47Å; V57-Y59 HydrophobicContact CB-CE2 3.82Å; V57-Y59 HydrophobicContact CG1-CD2 3.93Å; V57-Y59 HydrophobicContact CG1-CE2 3.34Å; V57-Y59 WeakPolarHBondContact O-CD2 3.39Å; Y59-S63 WeakPolarHBondContact CD1-O 3.21Å; Y59-V64 WeakPolarHBondContact CA-O 3.28Å; Y59-P65 HydrophobicContact CD1-CG 4.14Å; Y59-P65 HydrophobicContact CE1-CB 4.33Å; Y59-P65 HydrophobicContact CE1-CG 3.58Å
60N64.9Low69.6Low54 Ų5461.2 Ų61.229%0.28936%0.36SS..EExtended strand (participates in β ladder)trans-78.2-175.7175.168.219.6000111.4A62 S63 V64 E66N60-A62 PolarHBondContact O-N 2.83Å; N60-A62 WeakPolarHBondContact OD1-CA 3.42Å; N60-A62 WeakPolarHBondContact OD1-CB 3.08Å; N60-A62 PolarHBondContact OD1-N 3.05Å; N60-S63 PolarHBondContact O-N 3.45Å; N60-S63 PolarHBondContact OD1-N 3.45Å; N60-V64 PolarHBondContact N-O 2.74Å; N60-V64 PolarHBondContact OD1-N 2.8Å; N60-V64 PolarHBondContact OD1-O 3.09Å; N60-E66 HydrophobicContact CB-CG 4.07Å
61S64.2Low68.6Low57 Ų5764.4 Ų64.440%0.39939%0.394SS..THydrogen-bonded Turntrans-55.4-34.4177.6-1.10000114.1I4 H5 S63I4-S61 WeakPolarHBondContact CG2-OG 3.47Å; H5-S61 VanDerWaalsContact C-CA 3.44Å; H5-S61 WeakPolarHBondContact O-CA 3.42Å; H5-S61 WeakPolarHBondContact O-CB 3.21Å; H5-S61 PolarHBondContact O-N 3.06Å; H5-S61 PolarHBondContact O-OG 3.21Å; S61-S63 PolarHBondContact O-N 2.86Å
62A69.1Low67.7Low73 Ų7362.9 Ų62.960%0.60340%0.398SS*.THydrogen-bonded Turntrans-79.97-178.500000111.9N60 V64N60-A62 PolarHBondContact O-N 2.83Å; N60-A62 WeakPolarHBondContact OD1-CA 3.42Å; N60-A62 WeakPolarHBondContact OD1-CB 3.08Å; N60-A62 PolarHBondContact OD1-N 3.05Å; A62-V64 HydrophobicContact CB-CG2 3.92Å; A62-V64 PolarHBondContact O-N 2.94Å
63S66.4Low67Low62 Ų6263.1 Ų63.143%0.43440%0.4SS..SBendtrans54.432.3-171.1-58.90000112.2Q20 Y59 N60 S61Q20-S63 PolarHBondContact NE2-OG 2.84Å; Y59-S63 WeakPolarHBondContact CD1-O 3.21Å; N60-S63 PolarHBondContact O-N 3.45Å; N60-S63 PolarHBondContact OD1-N 3.45Å; S61-S63 PolarHBondContact O-N 2.86Å
64V68.7Low66.6Low76 Ų7660.7 Ų60.746%0.46138%0.383SS..PPolyproline II helixtrans-96.2133.6170.8-178.30000107.6Y59 N60 A62 E66Y59-V64 WeakPolarHBondContact CA-O 3.28Å; N60-V64 PolarHBondContact N-O 2.74Å; N60-V64 PolarHBondContact OD1-N 2.8Å; N60-V64 PolarHBondContact OD1-O 3.09Å; A62-V64 HydrophobicContact CB-CG2 3.92Å; A62-V64 PolarHBondContact O-N 2.94Å; V64-E66 PolarHBondContact O-N 3.42Å
65P70.2Confident66.6Low65 Ų6560.9 Ų60.942%0.42238%0.383SS..BIsolated β-bridgetrans-52127.3171.1-23.531.3000110.2V57 M58 Y59V57-P65 HydrophobicContact CG1-CB 4Å; M58-P65 CarbonylContact O-C 3.56Å; M58-P65 WeakPolarHBondContact O-CA 2.9Å; Y59-P65 HydrophobicContact CD1-CG 4.14Å; Y59-P65 HydrophobicContact CE1-CB 4.33Å; Y59-P65 HydrophobicContact CE1-CG 3.58Å
66E68.9Low66.8Low55 Ų5555.6 Ų55.626%0.25736%0.363SS..PPolyproline II helixtrans-64.3142.5170.6-68-178.3170.600108.9R30 M58 N60 V64 G68R30-E66 IonicContact CZ-OE1 2.86Å; R30-E66 IonicContact NH1-OE1 2.7Å; R30-E66 PolarHBondContact NH1-OE1 3.49Å; R30-E66 IonicContact NH1-OE2 2.73Å; R30-E66 PolarHBondContact NH1-OE2 2.97Å; R30-E66 IonicContact NH2-OE1 4Å; R30-E66 PolarHBondContact NH2-OE1 3.39Å; R30-E66 VanDerWaalsContact NH2-OE1 3.12Å; M58-E66 HydrophobicContact CB-CB 4.33Å; M58-E66 HydrophobicContact CB-CG 4.45Å; M58-E66 WeakPolarHBondContact CB-OE2 3.22Å; M58-E66 PolarHBondContact O-N 2.94Å; N60-E66 HydrophobicContact CB-CG 4.07Å; V64-E66 PolarHBondContact O-N 3.42Å; E66-G68 PolarHBondContact O-N 3.4Å
67V61.4Low66.9Low163 Ų16357.7 Ų57.799%0.98837%0.372SS*.SBendtrans-69.596.2179.8-177.60000108.5
68G59.1Low67.3Low48 Ų4856 Ų5650%0.49536%0.362SS..  trans-149.4116173.100000109.2E66E66-G68 PolarHBondContact O-N 3.4Å
69V53.9Low67.9Low140 Ų14054.2 Ų54.285%0.84835%0.353SS*.  trans-81.8115.9165.3178.90000105.8G71V69-G71 PolarHBondContact O-N 2.68Å
70D58.8Low68.5Low39 Ų3952.3 Ų52.321%0.20935%0.347CS..  trans-67.588.3173-169.65.5000108.9V56 G72 I74 F75V56-D70 PolarHBondContact N-OD2 3.5Å; D70-G72 PolarHBondContact O-N 2.94Å; D70-G72 WeakPolarHBondContact OD1-CA 3.5Å; D70-G72 PolarHBondContact OD1-N 3.17Å; D70-I74 HydrophobicContact CB-CB 4.48Å; D70-I74 HydrophobicContact CB-CD1 4.43Å; D70-I74 PolarHBondContact OD1-N 3.46Å; D70-F75 PolarHBondContact OD1-N 3.45Å
71G59.2Low69.1Low72 Ų7251.6 Ų51.674%0.74234%0.342SS*.SBendtrans-74.715.7169.600000113V69V69-G71 PolarHBondContact O-N 2.68Å
72G66.1Low69.9Low37 Ų3748.9 Ų48.938%0.38132%0.323SS..SBendtrans102.8-20.8-176.100000113.8D70 R76D70-G72 PolarHBondContact O-N 2.94Å; D70-G72 WeakPolarHBondContact OD1-CA 3.5Å; D70-G72 PolarHBondContact OD1-N 3.17Å; G72-R76 WeakPolarHBondContact O-CB 3.2Å; G72-R76 PolarHBondContact O-N 3.45Å
73G68.9Low70.7Confident5 Ų545.5 Ų45.55%0.05230%0.295CS..Hα-helixtrans-73.3-40.3-176.600000115.1F75 R76 E77 C332G73-F75 VanDerWaalsContact C-N 3.32Å; G73-R76 PolarHBondContact O-N 2.94Å; G73-E77 WeakPolarHBondContact O-CG 3.46Å; G73-E77 PolarHBondContact O-N 2.95Å; G73-C332 VanDerWaalsContact C-SG 3.6Å; G73-C332 WeakPolarHBondContact CA-SG 3.25Å
74I71.7Confident71.4Confident24 Ų2447.2 Ų47.212%0.12329%0.294CS..Hα-helixtrans-66.7-41.5178-53.4178000109V56 M58 D70 R76 E77 F78V56-I74 HydrophobicContact CB-CG2 3.7Å; V56-I74 HydrophobicContact CG1-CG2 3.73Å; M58-I74 HydrophobicContact CE-CD1 4.42Å; M58-I74 HydrophobicContact CE-CG2 4.32Å; D70-I74 HydrophobicContact CB-CB 4.48Å; D70-I74 HydrophobicContact CB-CD1 4.43Å; D70-I74 PolarHBondContact OD1-N 3.46Å; I74-R76 PolarHBondContact O-N 3.37Å; I74-E77 PolarHBondContact O-N 3.48Å; I74-F78 VanDerWaalsContact O-CB 3.27Å; I74-F78 WeakPolarHBondContact O-CB 2.96Å; I74-F78 PolarHBondContact O-N 3.06Å
75F77.4Confident71.8Confident15 Ų1544.3 Ų44.37%0.06628%0.276CS..Hα-helixtrans-58.1-45.4172.2173.5-114.1000112.6I54 V56 D70 G73 F78 M79 K129 E133 L135I54-F75 HydrophobicContact CB-CD2 3.7Å; I54-F75 HydrophobicContact CB-CE2 3.53Å; I54-F75 HydrophobicContact CB-CZ 4.35Å; I54-F75 HydrophobicContact CD1-CE2 3.8Å; I54-F75 HydrophobicContact CD1-CZ 4.26Å; I54-F75 HydrophobicContact CG1-CD2 4.5Å; I54-F75 HydrophobicContact CG1-CE2 3.85Å; I54-F75 HydrophobicContact CG1-CZ 4.31Å; I54-F75 HydrophobicContact CG2-CD2 3.98Å; I54-F75 HydrophobicContact CG2-CE2 3.95Å; V56-F75 HydrophobicContact CG2-CD2 4.49Å; D70-F75 PolarHBondContact OD1-N 3.45Å; G73-F75 VanDerWaalsContact C-N 3.32Å; F75-F78 HydrophobicContact CD2-CD1 4.43Å; F75-F78 WeakPolarHBondContact O-CB 3.08Å; F75-F78 PolarHBondContact O-N 2.91Å; F75-M79 HydrophobicContact CD1-CG 4.46Å; F75-M79 HydrophobicContact CD2-CG 3.99Å; F75-M79 HydrophobicContact CE1-CG 3.97Å; F75-M79 HydrophobicContact CE2-CG 3.41Å; F75-M79 VanDerWaalsContact CE2-CG 3.41Å; F75-M79 HydrophobicContact CE2-SD 3.64Å; F75-M79 HydrophobicContact CG-CG 4.48Å; F75-M79 HydrophobicContact CZ-CG 3.41Å; F75-M79 VanDerWaalsContact CZ-CG 3.41Å; F75-M79 HydrophobicContact CZ-SD 3.76Å; F75-M79 WeakPolarHBondContact O-CG 3.21Å; F75-M79 PolarHBondContact O-N 2.49Å; F75-K129 HydrophobicContact CZ-CG 4.07Å; F75-E133 HydrophobicContact CE1-CB 4.46Å; F75-E133 HydrophobicContact CE1-CG 4.14Å; F75-L135 HydrophobicContact CD1-CD1 3.89Å; F75-L135 HydrophobicContact CE1-CD1 3.43Å; F75-L135 VanDerWaalsContact CE1-CD1 3.43Å; F75-L135 HydrophobicContact CZ-CD1 4.27Å
76R76.6Confident72.4Confident35 Ų3541.2 Ų41.213%0.13226%0.256CS..Hα-helixtrans-61.9-47.3178.2-179.2178.6179.3-155.64.5112.2G72 G73 I74 F78 M79 T80 L135 T297 C299 N334G72-R76 WeakPolarHBondContact O-CB 3.2Å; G72-R76 PolarHBondContact O-N 3.45Å; G73-R76 PolarHBondContact O-N 2.94Å; I74-R76 PolarHBondContact O-N 3.37Å; R76-F78 VanDerWaalsContact C-N 3.32Å; R76-F78 PolarHBondContact O-N 2.84Å; R76-M79 PolarHBondContact O-N 2.77Å; R76-T80 PolarHBondContact O-N 2.89Å; R76-T80 PolarHBondContact O-OG1 2.8Å; R76-T80 VanDerWaalsContact O-OG1 3.13Å; R76-L135 HydrophobicContact CB-CD2 4.28Å; R76-L135 HydrophobicContact CG-CD2 4.03Å; R76-T297 PolarHBondContact NE-O 3.09Å; R76-T297 PolarHBondContact NH1-O 3.43Å; R76-T297 PolarHBondContact NH2-O 2.84Å; R76-C299 PolarHBondContact NH2-SG 3.1Å; R76-N334 PolarHBondContact NH1-OD1 3.23Å
77E74.3Confident73.3Confident51 Ų5139 Ų3924%0.23825%0.245CC..Hα-helixtrans-59.9-44.4176.5-73.4178.5170.900111.8G73 I74 M79 T80 E81 T331G73-E77 WeakPolarHBondContact O-CG 3.46Å; G73-E77 PolarHBondContact O-N 2.95Å; I74-E77 PolarHBondContact O-N 3.48Å; E77-M79 PolarHBondContact O-N 3.22Å; E77-T80 PolarHBondContact O-N 3.22Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.18Å; E77-T331 WeakPolarHBondContact OE1-CB 3.24Å; E77-T331 PolarHBondContact OE1-OG1 3.2Å
78F77.6Confident74.2Confident8 Ų832.8 Ų32.84%0.03521%0.209CC..Hα-helixtrans-57.7-48174.3167.1-96.2000112.2V10 L31 C34 I38 V56 I74 F75 R76 E81 V82V10-F78 HydrophobicContact CB-CZ 4.47Å; V10-F78 HydrophobicContact CG1-CE1 4.37Å; V10-F78 HydrophobicContact CG1-CZ 4.22Å; V10-F78 HydrophobicContact CG2-CD2 4.03Å; V10-F78 HydrophobicContact CG2-CE1 4.35Å; V10-F78 HydrophobicContact CG2-CE2 3.4Å; V10-F78 HydrophobicContact CG2-CZ 3.59Å; L31-F78 HydrophobicContact CD2-CB 4.48Å; L31-F78 HydrophobicContact CD2-CD2 4.42Å; C34-F78 HydrophobicContact CB-CD2 4.44Å; C34-F78 HydrophobicContact CB-CE2 4.03Å; I38-F78 HydrophobicContact CD1-CE2 3.71Å; I38-F78 HydrophobicContact CD1-CZ 3.46Å; I38-F78 VanDerWaalsContact CD1-CZ 3.46Å; I38-F78 HydrophobicContact CG1-CZ 4.39Å; V56-F78 HydrophobicContact CG1-CB 4.44Å; V56-F78 HydrophobicContact CG2-CB 3.77Å; V56-F78 HydrophobicContact CG2-CD1 3.96Å; V56-F78 HydrophobicContact CG2-CD2 4.32Å; V56-F78 HydrophobicContact CG2-CG 3.75Å; I74-F78 VanDerWaalsContact O-CB 3.27Å; I74-F78 WeakPolarHBondContact O-CB 2.96Å; I74-F78 PolarHBondContact O-N 3.06Å; F75-F78 HydrophobicContact CD2-CD1 4.43Å; F75-F78 WeakPolarHBondContact O-CB 3.08Å; F75-F78 PolarHBondContact O-N 2.91Å; R76-F78 VanDerWaalsContact C-N 3.32Å; R76-F78 PolarHBondContact O-N 2.84Å; F78-E81 PolarHBondContact O-N 2.85Å; F78-V82 HydrophobicContact CD2-CG2 3.85Å; F78-V82 HydrophobicContact CE1-CG2 4.32Å; F78-V82 HydrophobicContact CE2-CG2 3.5Å; F78-V82 HydrophobicContact CG-CG2 4.41Å; F78-V82 HydrophobicContact CZ-CG2 3.77Å; F78-V82 WeakPolarHBondContact O-CB 3.48Å; F78-V82 VanDerWaalsContact O-CG2 3.29Å; F78-V82 WeakPolarHBondContact O-CG2 3.26Å; F78-V82 PolarHBondContact O-N 2.8Å
79M82.7Confident75.3Confident3 Ų333.9 Ų33.92%0.01521%0.213CC..Hα-helixtrans-60.9-47.1178-74.3-63.5-64.100111.4F75 R76 E77 E81 L83 L126 K129 A130 L135F75-M79 HydrophobicContact CD1-CG 4.46Å; F75-M79 HydrophobicContact CD2-CG 3.99Å; F75-M79 HydrophobicContact CE1-CG 3.97Å; F75-M79 HydrophobicContact CE2-CG 3.41Å; F75-M79 VanDerWaalsContact CE2-CG 3.41Å; F75-M79 HydrophobicContact CE2-SD 3.64Å; F75-M79 HydrophobicContact CG-CG 4.48Å; F75-M79 HydrophobicContact CZ-CG 3.41Å; F75-M79 VanDerWaalsContact CZ-CG 3.41Å; F75-M79 HydrophobicContact CZ-SD 3.76Å; F75-M79 WeakPolarHBondContact O-CG 3.21Å; F75-M79 PolarHBondContact O-N 2.49Å; R76-M79 PolarHBondContact O-N 2.77Å; E77-M79 PolarHBondContact O-N 3.22Å; M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 2.92Å; M79-L83 HydrophobicContact CE-CD1 4.26Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.27Å; M79-L83 WeakPolarHBondContact O-CD1 3.35Å; M79-L83 WeakPolarHBondContact O-CG 3.46Å; M79-L83 PolarHBondContact O-N 3.14Å; M79-L126 HydrophobicContact CE-CB 4.05Å; M79-L126 HydrophobicContact CE-CD2 3.84Å; M79-L126 WeakPolarHBondContact CE-O 3.46Å; M79-L126 HydrophobicContact SD-CD2 3.73Å; M79-K129 HydrophobicContact CE-CB 4.32Å; M79-K129 HydrophobicContact CE-CG 4.32Å; M79-A130 HydrophobicContact CE-CB 4.22Å; M79-L135 HydrophobicContact CG-CD1 4.28Å
80T78.7Confident76.5Confident16 Ų1633.8 Ų33.810%0.09821%0.208CC..Hα-helixtrans-57.2-47.6177.9-64.80000111.1R76 E77 K84R76-T80 PolarHBondContact O-N 2.89Å; R76-T80 PolarHBondContact O-OG1 2.8Å; R76-T80 VanDerWaalsContact O-OG1 3.13Å; E77-T80 PolarHBondContact O-N 3.22Å; T80-K84 VanDerWaalsContact O-CB 3.25Å; T80-K84 WeakPolarHBondContact O-CB 3.4Å; T80-K84 PolarHBondContact O-N 3.22Å
81E76.8Confident77.6Confident40 Ų4034.1 Ų34.119%0.18721%0.207CC..Hα-helixtrans-76.7-40.4-172.1-165.341.6-129.400112.3L31 E77 F78 M79 L83 K84 Q85L31-E81 HydrophobicContact CB-CB 3.89Å; L31-E81 HydrophobicContact CB-CG 3.24Å; L31-E81 HydrophobicContact CD1-CB 3.91Å; L31-E81 HydrophobicContact CD1-CG 3.88Å; L31-E81 HydrophobicContact CG-CB 4.42Å; L31-E81 HydrophobicContact CG-CG 4.17Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.18Å; F78-E81 PolarHBondContact O-N 2.85Å; M79-E81 VanDerWaalsContact C-N 3.33Å; M79-E81 PolarHBondContact O-N 2.92Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.05Å; E81-K84 PolarHBondContact O-N 3.08Å; E81-K84 IonicContact OE2-NZ 3.53Å; E81-Q85 VanDerWaalsContact CG-NE2 3.33Å; E81-Q85 PolarHBondContact O-N 3.24Å; E81-Q85 PolarHBondContact O-NE2 2.95Å; E81-Q85 VanDerWaalsContact O-NE2 3.16Å; E81-Q85 PolarHBondContact OE1-NE2 3.15Å
82V80.8Confident78.9Confident0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-62.2-40.5173.9170.70000111.6C34 I38 F78 G86 L126C34-V82 HydrophobicContact CB-CG2 3.81Å; I38-V82 HydrophobicContact CD1-CB 4.39Å; I38-V82 HydrophobicContact CD1-CG1 3.84Å; I38-V82 HydrophobicContact CD1-CG2 3.56Å; F78-V82 HydrophobicContact CD2-CG2 3.85Å; F78-V82 HydrophobicContact CE1-CG2 4.32Å; F78-V82 HydrophobicContact CE2-CG2 3.5Å; F78-V82 HydrophobicContact CG-CG2 4.41Å; F78-V82 HydrophobicContact CZ-CG2 3.77Å; F78-V82 WeakPolarHBondContact O-CB 3.48Å; F78-V82 VanDerWaalsContact O-CG2 3.29Å; F78-V82 WeakPolarHBondContact O-CG2 3.26Å; F78-V82 PolarHBondContact O-N 2.8Å; V82-G86 PolarHBondContact O-N 3.19Å; V82-L126 HydrophobicContact CG1-CD1 3.67Å
83L86.6Confident80Confident1 Ų129.8 Ų29.81%0.00516%0.162CC..Hα-helixtrans-68.8-45.6176.5-71.1167.4000110.9M79 E81 Q85 G86 F87 F123 L126 V127 V137M79-L83 HydrophobicContact CE-CD1 4.26Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.27Å; M79-L83 WeakPolarHBondContact O-CD1 3.35Å; M79-L83 WeakPolarHBondContact O-CG 3.46Å; M79-L83 PolarHBondContact O-N 3.14Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.05Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.4Å; L83-G86 PolarHBondContact O-N 2.61Å; L83-G86 VanDerWaalsContact O-N 3.16Å; L83-F87 HydrophobicContact CB-CD2 4.16Å; L83-F87 HydrophobicContact CB-CE2 4.07Å; L83-F87 HydrophobicContact CD2-CD2 4.35Å; L83-F87 HydrophobicContact CD2-CE2 3.48Å; L83-F87 VanDerWaalsContact CD2-CE2 3.48Å; L83-F87 HydrophobicContact CD2-CZ 4.15Å; L83-F87 HydrophobicContact CG-CE2 4.36Å; L83-F87 WeakPolarHBondContact O-CB 3.42Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 3.39Å; L83-F123 HydrophobicContact CD2-CD1 3.97Å; L83-F123 HydrophobicContact CD2-CE1 4.48Å; L83-L126 HydrophobicContact CD2-CB 3.75Å; L83-L126 HydrophobicContact CD2-CD1 4.13Å; L83-L126 HydrophobicContact CG-CB 4.48Å; L83-V127 HydrophobicContact CD2-CG2 4.12Å; L83-V137 HydrophobicContact CD1-CB 3.9Å; L83-V137 HydrophobicContact CD1-CG1 3.35Å
84K81Confident81Confident98 Ų9829.6 Ų29.643%0.42616%0.16SC..Hα-helixtrans-54.2-48.4178-179.6-171.8171.2-161.90112T80 E81 S88T80-K84 VanDerWaalsContact O-CB 3.25Å; T80-K84 WeakPolarHBondContact O-CB 3.4Å; T80-K84 PolarHBondContact O-N 3.22Å; E81-K84 PolarHBondContact O-N 3.08Å; E81-K84 IonicContact OE2-NZ 3.53Å; K84-S88 PolarHBondContact O-N 2.81Å
85Q77.8Confident81.7Confident15 Ų1531.1 Ų31.17%0.0717%0.167CC..Hα-helixtrans-67.6-44.1176.4-73.4158.848.800112.3L31 S32 F35 E81 L83 F87 S88 Y91L31-Q85 VanDerWaalsContact C-NE2 3.32Å; L31-Q85 PolarHBondContact O-NE2 2.98Å; L31-Q85 PolarHBondContact O-OE1 3.25Å; S32-Q85 VanDerWaalsContact CA-CD 3.44Å; S32-Q85 PolarHBondContact O-OE1 2.84Å; F35-Q85 HydrophobicContact CB-CB 4.07Å; F35-Q85 HydrophobicContact CG-CB 4.39Å; E81-Q85 VanDerWaalsContact CG-NE2 3.33Å; E81-Q85 PolarHBondContact O-N 3.24Å; E81-Q85 PolarHBondContact O-NE2 2.95Å; E81-Q85 VanDerWaalsContact O-NE2 3.16Å; E81-Q85 PolarHBondContact OE1-NE2 3.15Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.4Å; Q85-F87 PolarHBondContact O-N 3.06Å; Q85-S88 WeakPolarHBondContact O-CB 3.33Å; Q85-S88 PolarHBondContact O-N 3.45Å; Q85-Y91 HydrophobicContact CB-CE2 4.05Å; Q85-Y91 WeakPolarHBondContact O-CD2 3.43Å; Q85-Y91 WeakPolarHBondContact O-CE2 3.17Å
86G81.4Confident82Confident0 Ų032.6 Ų32.60%018%0.18CC..Hα-helixtrans-58.3-34.1-177.900000115.2V82 L83V82-G86 PolarHBondContact O-N 3.19Å; L83-G86 PolarHBondContact O-N 2.61Å; L83-G86 VanDerWaalsContact O-N 3.16Å
87F88Confident82.3Confident9 Ų932 Ų324%0.03918%0.18CC..THydrogen-bonded Turntrans-943.1175-65.3-60.2000113.5L83 Q85 F94 L103 F123 V127 P139 F141 F233L83-F87 HydrophobicContact CB-CD2 4.16Å; L83-F87 HydrophobicContact CB-CE2 4.07Å; L83-F87 HydrophobicContact CD2-CD2 4.35Å; L83-F87 HydrophobicContact CD2-CE2 3.48Å; L83-F87 VanDerWaalsContact CD2-CE2 3.48Å; L83-F87 HydrophobicContact CD2-CZ 4.15Å; L83-F87 HydrophobicContact CG-CE2 4.36Å; L83-F87 WeakPolarHBondContact O-CB 3.42Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 3.39Å; Q85-F87 PolarHBondContact O-N 3.06Å; F87-F94 AromaticContact CD1-CD1 3.94Å; F87-F94 HydrophobicContact CD1-CD1 3.94Å; F87-F94 AromaticContact CD1-CD2 3.45Å; F87-F94 HydrophobicContact CD1-CD2 3.45Å; F87-F94 VanDerWaalsContact CD1-CD2 3.45Å; F87-F94 AromaticContact CD1-CE1 3.96Å; F87-F94 HydrophobicContact CD1-CE1 3.96Å; F87-F94 AromaticContact CD1-CE2 3.46Å; F87-F94 HydrophobicContact CD1-CE2 3.46Å; F87-F94 VanDerWaalsContact CD1-CE2 3.46Å; F87-F94 AromaticContact CD1-CG 3.72Å; F87-F94 HydrophobicContact CD1-CG 3.72Å; F87-F94 AromaticContact CD1-CZ 3.75Å; F87-F94 HydrophobicContact CD1-CZ 3.75Å; F87-F94 HydrophobicContact CE1-CD1 4.19Å; F87-F94 AromaticContact CE1-CD2 4Å; F87-F94 HydrophobicContact CE1-CD2 4Å; F87-F94 AromaticContact CE1-CE1 3.73Å; F87-F94 HydrophobicContact CE1-CE1 3.73Å; F87-F94 AromaticContact CE1-CE2 3.51Å; F87-F94 HydrophobicContact CE1-CE2 3.51Å; F87-F94 HydrophobicContact CE1-CG 4.33Å; F87-F94 AromaticContact CE1-CZ 3.38Å; F87-F94 HydrophobicContact CE1-CZ 3.38Å; F87-F94 HydrophobicContact CG-CD2 4.47Å; F87-L103 HydrophobicContact CB-CD1 3.68Å; F87-L103 HydrophobicContact CD1-CD1 4.29Å; F87-L103 HydrophobicContact CG-CD1 4.06Å; F87-F123 HydrophobicContact CE1-CB 4.33Å; F87-F123 HydrophobicContact CE1-CG 4.32Å; F87-F123 HydrophobicContact CE2-CD1 4.41Å; F87-F123 HydrophobicContact CZ-CB 4.08Å; F87-F123 HydrophobicContact CZ-CD1 4.13Å; F87-F123 HydrophobicContact CZ-CG 4.18Å; F87-V127 HydrophobicContact CE2-CG2 4.32Å; F87-V127 HydrophobicContact CZ-CG2 4.04Å; F87-P139 HydrophobicContact CB-CB 4.29Å; F87-P139 HydrophobicContact CD2-CB 3.61Å; F87-P139 HydrophobicContact CD2-CG 3.41Å; F87-P139 VanDerWaalsContact CD2-CG 3.41Å; F87-P139 HydrophobicContact CE2-CB 4.13Å; F87-P139 HydrophobicContact CE2-CG 3.58Å; F87-P139 HydrophobicContact CG-CB 4.03Å; F87-P139 HydrophobicContact CG-CG 4.31Å; F87-F141 HydrophobicContact CD1-CE1 4.15Å; F87-F141 AromaticContact CE1-CE1 3.55Å; F87-F141 HydrophobicContact CE1-CE1 3.55Å; F87-F141 AromaticContact CE1-CZ 3.69Å; F87-F141 HydrophobicContact CE1-CZ 3.69Å; F87-F141 HydrophobicContact CE2-CZ 4.15Å; F87-F141 AromaticContact CZ-CE1 3.88Å; F87-F141 HydrophobicContact CZ-CE1 3.88Å; F87-F141 AromaticContact CZ-CZ 3.49Å; F87-F141 HydrophobicContact CZ-CZ 3.49Å; F87-F141 VanDerWaalsContact CZ-CZ 3.49Å; F87-F233 HydrophobicContact CZ-CE2 4.42Å
88S81.1Confident82.3Confident33 Ų3339.5 Ų39.523%0.23122%0.215CC..  trans-66.2140.6173-175.30000110.4K84 Q85 D90 Y91K84-S88 PolarHBondContact O-N 2.81Å; Q85-S88 WeakPolarHBondContact O-CB 3.33Å; Q85-S88 PolarHBondContact O-N 3.45Å; S88-D90 PolarHBondContact O-N 2.86Å; S88-D90 VanDerWaalsContact OG-CG 3.24Å; S88-D90 PolarHBondContact OG-N 2.6Å; S88-D90 PolarHBondContact OG-OD2 2.87Å; S88-Y91 PolarHBondContact O-N 2.73Å
89A81.3Confident82.2Confident70 Ų7044.4 Ų44.458%0.57924%0.242SC*.G310 helixtrans-59.3-24.5172.400000112.3Y91 G92A89-Y91 PolarHBondContact O-N 3.24Å; A89-Y91 VanDerWaalsContact O-N 3.16Å; A89-G92 PolarHBondContact O-N 3.36Å
90D80.5Confident81.8Confident139 Ų13952.2 Ų52.274%0.74328%0.278SS*.G310 helixtrans-57.7-31.4-177.8-58.3-39000113.6S88S88-D90 PolarHBondContact O-N 2.86Å; S88-D90 VanDerWaalsContact OG-CG 3.24Å; S88-D90 PolarHBondContact OG-N 2.6Å; S88-D90 PolarHBondContact OG-OD2 2.87Å
91Y81.5Confident81.9Confident46 Ų4654 Ų5418%0.1829%0.291CS..G310 helixtrans-92-12.2179.3-63.2-74.8000113.2F35 V36 Q85 S88 A89 F93 P111 L113F35-Y91 HydrophobicContact CD1-CD1 4.25Å; F35-Y91 HydrophobicContact CD1-CD2 4.1Å; F35-Y91 AromaticContact CD1-CE1 3.93Å; F35-Y91 HydrophobicContact CD1-CE1 3.93Å; F35-Y91 AromaticContact CD1-CE2 3.78Å; F35-Y91 HydrophobicContact CD1-CE2 3.78Å; F35-Y91 HydrophobicContact CD1-CG 4.31Å; F35-Y91 AromaticContact CD1-CZ 3.68Å; F35-Y91 AromaticContact CE1-CD1 3.8Å; F35-Y91 HydrophobicContact CE1-CD1 3.8Å; F35-Y91 AromaticContact CE1-CD2 3.88Å; F35-Y91 HydrophobicContact CE1-CD2 3.88Å; F35-Y91 AromaticContact CE1-CE1 3.96Å; F35-Y91 HydrophobicContact CE1-CE1 3.96Å; F35-Y91 HydrophobicContact CE1-CE2 4.04Å; F35-Y91 AromaticContact CE1-CG 3.74Å; F35-Y91 HydrophobicContact CE1-CG 3.74Å; V36-Y91 HydrophobicContact CG2-CE1 4.26Å; Q85-Y91 HydrophobicContact CB-CE2 4.05Å; Q85-Y91 WeakPolarHBondContact O-CD2 3.43Å; Q85-Y91 WeakPolarHBondContact O-CE2 3.17Å; S88-Y91 PolarHBondContact O-N 2.73Å; A89-Y91 PolarHBondContact O-N 3.24Å; A89-Y91 VanDerWaalsContact O-N 3.16Å; Y91-F93 VanDerWaalsContact C-N 3.28Å; Y91-F93 PolarHBondContact O-N 2.93Å; Y91-P111 WeakPolarHBondContact O-CB 3.26Å; Y91-L113 HydrophobicContact CD1-CD1 3.74Å; Y91-L113 HydrophobicContact CD1-CG 4.29Å; Y91-L113 HydrophobicContact CE1-CD1 4.09Å
92G85.9Confident82.4Confident17 Ų1753.7 Ų53.718%0.17529%0.29CS..SBendtrans71.413.3175.600000115.4A89 N106A89-G92 PolarHBondContact O-N 3.36Å; G92-N106 WeakPolarHBondContact O-CB 3.44Å; G92-N106 PolarHBondContact O-ND2 3.47Å
93F88.7Confident83Confident0 Ų054.6 Ų54.60%030%0.295CS..SBendtrans-77.8-30.2176.1-67.4-67.5000113.5F35 F39 Y91 N106 P111 L113 T116 V119 H120F35-F93 HydrophobicContact CE1-CE2 4.09Å; F35-F93 HydrophobicContact CZ-CD2 4.14Å; F35-F93 AromaticContact CZ-CE2 3.69Å; F35-F93 HydrophobicContact CZ-CE2 3.69Å; F39-F93 HydrophobicContact CD2-CZ 4.39Å; F39-F93 AromaticContact CE2-CZ 3.92Å; F39-F93 HydrophobicContact CE2-CZ 3.92Å; Y91-F93 VanDerWaalsContact C-N 3.28Å; Y91-F93 PolarHBondContact O-N 2.93Å; F93-N106 WeakPolarHBondContact O-CB 3.2Å; F93-N106 PolarHBondContact O-N 2.87Å; F93-P111 HydrophobicContact CD1-CB 3.61Å; F93-P111 HydrophobicContact CD1-CG 3.51Å; F93-P111 HydrophobicContact CE1-CB 3.38Å; F93-P111 HydrophobicContact CE1-CG 3.6Å; F93-P111 HydrophobicContact CE2-CB 4.47Å; F93-P111 HydrophobicContact CG-CB 4.25Å; F93-P111 HydrophobicContact CG-CG 4.4Å; F93-P111 HydrophobicContact CZ-CB 3.87Å; F93-L113 HydrophobicContact CE2-CB 4.32Å; F93-L113 HydrophobicContact CE2-CD1 4.17Å; F93-L113 HydrophobicContact CZ-CB 3.88Å; F93-L113 HydrophobicContact CZ-CD1 4.47Å; F93-T116 HydrophobicContact CD1-CG2 4.32Å; F93-V119 HydrophobicContact CD1-CB 4Å; F93-V119 HydrophobicContact CD1-CG1 3.68Å; F93-V119 HydrophobicContact CD1-CG2 4.33Å; F93-V119 HydrophobicContact CD2-CG1 3.98Å; F93-V119 HydrophobicContact CE1-CB 3.75Å; F93-V119 HydrophobicContact CE1-CG1 3.74Å; F93-V119 HydrophobicContact CE1-CG2 3.58Å; F93-V119 HydrophobicContact CE2-CG1 4.03Å; F93-V119 HydrophobicContact CE2-CG2 4.43Å; F93-V119 HydrophobicContact CG-CG1 3.81Å; F93-V119 HydrophobicContact CZ-CB 4.16Å; F93-V119 HydrophobicContact CZ-CG1 3.91Å; F93-V119 HydrophobicContact CZ-CG2 3.64Å; F93-H120 PolarHBondContact O-CE1 3.43Å; F93-H120 PolarHBondContact O-NE2 3.02Å
94F90.1Very high83.1Confident2 Ų256.6 Ų56.61%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-129149.1-178.8-66.3-92.4000109.7F87 L103 Y104 P105 H120 F123 F141 Y145F87-F94 AromaticContact CD1-CD1 3.94Å; F87-F94 HydrophobicContact CD1-CD1 3.94Å; F87-F94 AromaticContact CD1-CD2 3.45Å; F87-F94 HydrophobicContact CD1-CD2 3.45Å; F87-F94 VanDerWaalsContact CD1-CD2 3.45Å; F87-F94 AromaticContact CD1-CE1 3.96Å; F87-F94 HydrophobicContact CD1-CE1 3.96Å; F87-F94 AromaticContact CD1-CE2 3.46Å; F87-F94 HydrophobicContact CD1-CE2 3.46Å; F87-F94 VanDerWaalsContact CD1-CE2 3.46Å; F87-F94 AromaticContact CD1-CG 3.72Å; F87-F94 HydrophobicContact CD1-CG 3.72Å; F87-F94 AromaticContact CD1-CZ 3.75Å; F87-F94 HydrophobicContact CD1-CZ 3.75Å; F87-F94 HydrophobicContact CE1-CD1 4.19Å; F87-F94 AromaticContact CE1-CD2 4Å; F87-F94 HydrophobicContact CE1-CD2 4Å; F87-F94 AromaticContact CE1-CE1 3.73Å; F87-F94 HydrophobicContact CE1-CE1 3.73Å; F87-F94 AromaticContact CE1-CE2 3.51Å; F87-F94 HydrophobicContact CE1-CE2 3.51Å; F87-F94 HydrophobicContact CE1-CG 4.33Å; F87-F94 AromaticContact CE1-CZ 3.38Å; F87-F94 HydrophobicContact CE1-CZ 3.38Å; F87-F94 HydrophobicContact CG-CD2 4.47Å; F94-L103 HydrophobicContact CB-CD2 4.45Å; F94-Y104 CarbonylContact C-O 3.24Å; F94-Y104 VanDerWaalsContact CA-O 3.27Å; F94-Y104 WeakPolarHBondContact CA-O 3.33Å; F94-P105 HydrophobicContact CE1-CG 4.44Å; F94-H120 AromaticContact CE1-NE2 3.86Å; F94-H120 AromaticContact CZ-CD2 3.72Å; F94-H120 AromaticContact CZ-NE2 3.67Å; F94-F123 AromaticContact CE2-CD2 3.78Å; F94-F123 HydrophobicContact CE2-CD2 3.78Å; F94-F123 HydrophobicContact CE2-CE2 4.2Å; F94-F123 HydrophobicContact CE2-CG 4.47Å; F94-F123 HydrophobicContact CZ-CD2 4.3Å; F94-F141 HydrophobicContact CE1-CE1 4.45Å; F94-Y145 HydrophobicContact CE1-CE1 4.43Å
95L86.1Confident83.5Confident55 Ų5551.9 Ų51.929%0.28828%0.282SS..EExtended strand (participates in β ladder)trans-109.3156.9170.4-65.3173.1000108.8L103 Y104 N106L95-L103 CarbonylContact O-C 3.39Å; L95-L103 VanDerWaalsContact O-CA 3.27Å; L95-L103 WeakPolarHBondContact O-CA 3.5Å; L95-Y104 HydrophobicContact CB-CD1 4.49Å; L95-Y104 HydrophobicContact CB-CD2 4.17Å; L95-Y104 HydrophobicContact CB-CE1 3.97Å; L95-Y104 HydrophobicContact CB-CE2 3.67Å; L95-Y104 HydrophobicContact CD1-CE2 3.65Å; L95-Y104 HydrophobicContact CG-CE2 4.24Å; L95-Y104 PolarHBondContact N-O 3.39Å; L95-Y104 PolarHBondContact O-N 3.42Å; L95-N106 HydrophobicContact CD1-CB 4.28Å; L95-N106 HydrophobicContact CD2-CB 4.3Å; L95-N106 HydrophobicContact CG-CB 3.79Å
96S85.1Confident84Confident46 Ų4651.3 Ų51.332%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-98.8153.7169.5-52.70000111E102 Y104S96-E102 CarbonylContact C-O 3.44Å; S96-E102 VanDerWaalsContact CA-O 3.27Å; S96-E102 WeakPolarHBondContact CA-O 3.43Å; S96-Y104 WeakPolarHBondContact O-CE1 3.35Å
97T81.9Confident84Confident24 Ų2452 Ų5215%0.14728%0.282CS..  trans-61.5167.1164.948.60000111D99 E100 E102 Y104 A142T97-D99 VanDerWaalsContact CB-OD1 3.22Å; T97-D99 WeakPolarHBondContact CB-OD1 3.47Å; T97-D99 PolarHBondContact O-N 2.86Å; T97-D99 VanDerWaalsContact O-N 3.16Å; T97-D99 PolarHBondContact OG1-OD1 3.37Å; T97-E100 WeakPolarHBondContact O-CA 3.49Å; T97-E100 PolarHBondContact O-N 3Å; T97-E102 HydrophobicContact CG2-CB 3.9Å; T97-E102 PolarHBondContact N-O 2.71Å; T97-E102 PolarHBondContact OG1-N 3.39Å; T97-E102 VanDerWaalsContact OG1-N 3.17Å; T97-E102 PolarHBondContact OG1-O 3.38Å; T97-Y104 HydrophobicContact CG2-CD1 4.31Å; T97-Y104 HydrophobicContact CG2-CE1 4.29Å; T97-A142 HydrophobicContact CG2-CB 4.18Å
98Q74.7Confident83.4Confident208 Ų20853 Ų5397%0.97229%0.291SS*.THydrogen-bonded Turntrans-59.8-27.9-175.7-68.5-178.1-3.400113.8E100Q98-E100 VanDerWaalsContact C-N 3.28Å
99D76Confident83Confident110 Ų11056.3 Ų56.359%0.58831%0.306SS*.THydrogen-bonded Turntrans-88.77.2175.466.8-27.1000113.1T97 S101T97-D99 VanDerWaalsContact CB-OD1 3.22Å; T97-D99 WeakPolarHBondContact CB-OD1 3.47Å; T97-D99 PolarHBondContact O-N 2.86Å; T97-D99 VanDerWaalsContact O-N 3.16Å; T97-D99 PolarHBondContact OG1-OD1 3.37Å; D99-S101 PolarHBondContact O-N 3.13Å; D99-S101 PolarHBondContact OD1-OG 2.76Å; D99-S101 WeakPolarHBondContact OD2-CB 3.47Å; D99-S101 PolarHBondContact OD2-OG 3.43Å
100E73.6Confident82.7Confident168 Ų16861.4 Ų61.479%0.78532%0.318SS*.SBendtrans57.416179.6-58.8-175.9173.400115.1T97 Q98T97-E100 WeakPolarHBondContact O-CA 3.49Å; T97-E100 PolarHBondContact O-N 3Å; Q98-E100 VanDerWaalsContact C-N 3.28Å
101S80.1Confident82.4Confident52 Ų5255 Ų5536%0.36429%0.285SS..  trans-94.9-25-169.476.80000114D99D99-S101 PolarHBondContact O-N 3.13Å; D99-S101 PolarHBondContact OD1-OG 2.76Å; D99-S101 WeakPolarHBondContact OD2-CB 3.47Å; D99-S101 PolarHBondContact OD2-OG 3.43Å
102E88.9Confident81.9Confident35 Ų3561.4 Ų61.416%0.16431%0.314CS..  trans-134.5145-172.1-69.4-178.4164.500111.8S96 T97 R140 A142S96-E102 CarbonylContact C-O 3.44Å; S96-E102 VanDerWaalsContact CA-O 3.27Å; S96-E102 WeakPolarHBondContact CA-O 3.43Å; T97-E102 HydrophobicContact CG2-CB 3.9Å; T97-E102 PolarHBondContact N-O 2.71Å; T97-E102 PolarHBondContact OG1-N 3.39Å; T97-E102 VanDerWaalsContact OG1-N 3.17Å; T97-E102 PolarHBondContact OG1-O 3.38Å; E102-R140 HydrophobicContact CG-CB 4.26Å; E102-R140 IonicContact OE1-NH2 2.94Å; E102-A142 HydrophobicContact CB-CB 4.13Å; E102-A142 WeakPolarHBondContact OE2-CA 3.29Å
103L91.6Very high81.1Confident19 Ų1962 Ų6210%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-108.8146.6-172.7-61.4162.4000112.4F87 F94 L95 P139 R140 F141 A142F87-L103 HydrophobicContact CB-CD1 3.68Å; F87-L103 HydrophobicContact CD1-CD1 4.29Å; F87-L103 HydrophobicContact CG-CD1 4.06Å; F94-L103 HydrophobicContact CB-CD2 4.45Å; L95-L103 CarbonylContact O-C 3.39Å; L95-L103 VanDerWaalsContact O-CA 3.27Å; L95-L103 WeakPolarHBondContact O-CA 3.5Å; L103-P139 HydrophobicContact CD1-CB 3.62Å; L103-R140 VanDerWaalsContact CB-O 3.28Å; L103-R140 WeakPolarHBondContact CB-O 3.31Å; L103-R140 WeakPolarHBondContact CG-O 3.43Å; L103-R140 PolarHBondContact N-O 2.86Å; L103-F141 HydrophobicContact CB-CD1 4.34Å; L103-F141 CarbonylContact O-C 3.6Å; L103-F141 VanDerWaalsContact O-CA 3.31Å; L103-F141 WeakPolarHBondContact O-CA 3.36Å; L103-A142 PolarHBondContact O-N 2.98Å
104Y89.6Confident80.6Confident42 Ų4262.7 Ų62.717%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-145.5158.817159.7-87.6000110.5F94 L95 S96 T97 W107 A142 F144F94-Y104 CarbonylContact C-O 3.24Å; F94-Y104 VanDerWaalsContact CA-O 3.27Å; F94-Y104 WeakPolarHBondContact CA-O 3.33Å; L95-Y104 HydrophobicContact CB-CD1 4.49Å; L95-Y104 HydrophobicContact CB-CD2 4.17Å; L95-Y104 HydrophobicContact CB-CE1 3.97Å; L95-Y104 HydrophobicContact CB-CE2 3.67Å; L95-Y104 HydrophobicContact CD1-CE2 3.65Å; L95-Y104 HydrophobicContact CG-CE2 4.24Å; L95-Y104 PolarHBondContact N-O 3.39Å; L95-Y104 PolarHBondContact O-N 3.42Å; S96-Y104 WeakPolarHBondContact O-CE1 3.35Å; T97-Y104 HydrophobicContact CG2-CD1 4.31Å; T97-Y104 HydrophobicContact CG2-CE1 4.29Å; Y104-W107 HydrophobicContact CD2-CE3 4.37Å; Y104-W107 AromaticContact CD2-CH2 3.55Å; Y104-W107 HydrophobicContact CD2-CH2 3.55Å; Y104-W107 AromaticContact CD2-CZ3 3.39Å; Y104-W107 HydrophobicContact CD2-CZ3 3.39Å; Y104-W107 AromaticContact CE2-CH2 3.55Å; Y104-W107 HydrophobicContact CE2-CH2 3.55Å; Y104-W107 HydrophobicContact CE2-CZ2 4.3Å; Y104-W107 AromaticContact CE2-CZ3 3.83Å; Y104-W107 HydrophobicContact CE2-CZ3 3.83Å; Y104-W107 HydrophobicContact CG-CZ3 4.5Å; Y104-A142 HydrophobicContact CD1-CB 4.43Å; Y104-F144 VanDerWaalsContact CB-CZ 3.45Å; Y104-F144 HydrophobicContact CD1-CE1 4.12Å; Y104-F144 AromaticContact CD1-CZ 3.94Å; Y104-F144 HydrophobicContact CD1-CZ 3.94Å; Y104-F144 AromaticContact CD2-CZ 3.91Å; Y104-F144 HydrophobicContact CD2-CZ 3.91Å; Y104-F144 HydrophobicContact CG-CE1 4.12Å; Y104-F144 AromaticContact CG-CZ 3.51Å; Y104-F144 HydrophobicContact CG-CZ 3.51Å
105P90.1Very high80.1Confident0 Ų067.7 Ų67.70%035%0.347CS..EExtended strand (participates in β ladder)trans-54.1141.3-179.3-30.138.1000112.5F94 W107 H120 Y145 L229F94-P105 HydrophobicContact CE1-CG 4.44Å; P105-W107 HydrophobicContact CB-CE3 4.34Å; P105-W107 WeakPolarHBondContact O-CZ3 3.46Å; P105-W107 PolarHBondContact O-N 3.4Å; P105-H120 WeakPolarHBondContact CB-NE2 3.47Å; P105-Y145 HydrophobicContact CG-CD2 3.85Å; P105-Y145 HydrophobicContact CG-CE1 4.17Å; P105-Y145 HydrophobicContact CG-CE2 3.35Å; P105-Y145 HydrophobicContact CG-CG 4.44Å; P105-L229 HydrophobicContact CB-CB 4.15Å; P105-L229 HydrophobicContact CB-CD1 4.01Å
106N87.8Confident80.1Confident3 Ų366.5 Ų66.52%0.01634%0.342CS..  trans-8897.4165.9-169.3-4000109.2G92 F93 L95 A108 N109G92-N106 WeakPolarHBondContact O-CB 3.44Å; G92-N106 PolarHBondContact O-ND2 3.47Å; F93-N106 WeakPolarHBondContact O-CB 3.2Å; F93-N106 PolarHBondContact O-N 2.87Å; L95-N106 HydrophobicContact CD1-CB 4.28Å; L95-N106 HydrophobicContact CD2-CB 4.3Å; L95-N106 HydrophobicContact CG-CB 3.79Å; N106-A108 PolarHBondContact OD1-N 2.93Å; N106-N109 PolarHBondContact ND2-ND2 2.92Å; N106-N109 PolarHBondContact OD1-N 3.25Å
107W81.3Confident80.2Confident15 Ų1567.4 Ų67.46%0.05734%0.341CS..  trans-87.3-15.1174.555.981.4000112.8Y104 P105 E201 L202 F226 L229Y104-W107 HydrophobicContact CD2-CE3 4.37Å; Y104-W107 AromaticContact CD2-CH2 3.55Å; Y104-W107 HydrophobicContact CD2-CH2 3.55Å; Y104-W107 AromaticContact CD2-CZ3 3.39Å; Y104-W107 HydrophobicContact CD2-CZ3 3.39Å; Y104-W107 AromaticContact CE2-CH2 3.55Å; Y104-W107 HydrophobicContact CE2-CH2 3.55Å; Y104-W107 HydrophobicContact CE2-CZ2 4.3Å; Y104-W107 AromaticContact CE2-CZ3 3.83Å; Y104-W107 HydrophobicContact CE2-CZ3 3.83Å; Y104-W107 HydrophobicContact CG-CZ3 4.5Å; P105-W107 HydrophobicContact CB-CE3 4.34Å; P105-W107 WeakPolarHBondContact O-CZ3 3.46Å; P105-W107 PolarHBondContact O-N 3.4Å; W107-E201 WeakPolarHBondContact CZ2-O 3.31Å; W107-L202 PolarHBondContact NE1-O 3.12Å; W107-F226 AromaticContact CD2-CD2 3.79Å; W107-F226 HydrophobicContact CD2-CD2 3.79Å; W107-F226 AromaticContact CE3-CD2 3.36Å; W107-F226 HydrophobicContact CE3-CD2 3.36Å; W107-F226 AromaticContact CE3-CE2 3.88Å; W107-F226 HydrophobicContact CE3-CE2 3.88Å; W107-F226 HydrophobicContact CE3-CG 4.48Å; W107-F226 HydrophobicContact CG-CB 4.44Å; W107-F226 AromaticContact CH2-CD2 3.95Å; W107-F226 HydrophobicContact CH2-CD2 3.95Å; W107-F226 AromaticContact CH2-CE2 3.86Å; W107-F226 HydrophobicContact CH2-CE2 3.86Å; W107-F226 HydrophobicContact CZ2-CD2 4.36Å; W107-F226 AromaticContact CZ3-CD2 3.41Å; W107-F226 HydrophobicContact CZ3-CD2 3.41Å; W107-F226 VanDerWaalsContact CZ3-CD2 3.41Å; W107-F226 AromaticContact CZ3-CE2 3.42Å; W107-F226 HydrophobicContact CZ3-CE2 3.42Å; W107-F226 VanDerWaalsContact CZ3-CE2 3.42Å; W107-L229 HydrophobicContact CB-CD1 4.19Å
108A75.5Confident80.3Confident28 Ų2870 Ų7023%0.23135%0.351CS..SBendtrans-86.4-31.9-169.300000113.4N106 R222N106-A108 PolarHBondContact OD1-N 2.93Å; A108-R222 PolarHBondContact O-NH1 2.86Å
109N72.5Confident80.8Confident103 Ų10360.3 Ų60.355%0.55131%0.306SS*.SBendtrans-106.5147-179.6-63.2-21.6000111.5N106 P111N106-N109 PolarHBondContact ND2-ND2 2.92Å; N106-N109 PolarHBondContact OD1-N 3.25Å; N109-P111 VanDerWaalsContact O-CD 3.31Å; N109-P111 WeakPolarHBondContact O-CD 3.34Å
110E75.3Confident81.5Confident178 Ų17855 Ų5583%0.83228%0.278SS*.  trans-74.7117.6163.8-169.8171.7-172.800108.8
111P73Confident82.3Confident5 Ų548 Ų483%0.03225%0.245CC..  trans-63.9148.7179.8-21.333.8000111.5Y91 F93 N109 L113 G114 T116Y91-P111 WeakPolarHBondContact O-CB 3.26Å; F93-P111 HydrophobicContact CD1-CB 3.61Å; F93-P111 HydrophobicContact CD1-CG 3.51Å; F93-P111 HydrophobicContact CE1-CB 3.38Å; F93-P111 HydrophobicContact CE1-CG 3.6Å; F93-P111 HydrophobicContact CE2-CB 4.47Å; F93-P111 HydrophobicContact CG-CB 4.25Å; F93-P111 HydrophobicContact CG-CG 4.4Å; F93-P111 HydrophobicContact CZ-CB 3.87Å; N109-P111 VanDerWaalsContact O-CD 3.31Å; N109-P111 WeakPolarHBondContact O-CD 3.34Å; P111-L113 PolarHBondContact O-N 2.94Å; P111-L113 VanDerWaalsContact O-N 3.12Å; P111-G114 PolarHBondContact O-N 3.38Å; P111-T116 WeakPolarHBondContact CD-OG1 3.22Å; P111-T116 HydrophobicContact CG-CG2 3.88Å; P111-T116 WeakPolarHBondContact CG-OG1 3.37Å
112F71.2Confident82.6Confident180 Ų18047.1 Ų47.179%0.78923%0.234SC*.THydrogen-bonded Turntrans-53.6-38.1-179.1175.9-101.9000113.3
113L70.5Confident82.7Confident28 Ų2845.4 Ų45.415%0.14723%0.226CC..THydrogen-bonded Turntrans-84.4-13-178.9-67.6177.3000113.1F35 F39 F40 Y91 F93 P111F35-L113 HydrophobicContact CD1-CD1 4.4Å; F35-L113 HydrophobicContact CE1-CD1 3.63Å; F35-L113 HydrophobicContact CZ-CD1 4.2Å; F39-L113 HydrophobicContact CD1-CB 4.25Å; F39-L113 HydrophobicContact CD1-CD1 4.32Å; F39-L113 HydrophobicContact CD2-CB 4.25Å; F39-L113 HydrophobicContact CD2-CD1 4.2Å; F39-L113 HydrophobicContact CE1-CB 3.77Å; F39-L113 WeakPolarHBondContact CE1-O 3.19Å; F39-L113 HydrophobicContact CE2-CB 3.71Å; F39-L113 HydrophobicContact CE2-CD1 4.48Å; F39-L113 HydrophobicContact CG-CD1 4.14Å; F39-L113 HydrophobicContact CZ-CB 3.53Å; F39-L113 WeakPolarHBondContact CZ-O 3.44Å; F40-L113 HydrophobicContact CZ-CD2 4.44Å; Y91-L113 HydrophobicContact CD1-CD1 3.74Å; Y91-L113 HydrophobicContact CD1-CG 4.29Å; Y91-L113 HydrophobicContact CE1-CD1 4.09Å; F93-L113 HydrophobicContact CE2-CB 4.32Å; F93-L113 HydrophobicContact CE2-CD1 4.17Å; F93-L113 HydrophobicContact CZ-CB 3.88Å; F93-L113 HydrophobicContact CZ-CD1 4.47Å; P111-L113 PolarHBondContact O-N 2.94Å; P111-L113 VanDerWaalsContact O-N 3.12Å
114G77Confident82.9Confident15 Ų1544.5 Ų44.516%0.15522%0.221CC..  trans67.8-169.8-17600000114.5F39 P111 T116F39-G114 WeakPolarHBondContact CE2-O 3.35Å; F39-G114 WeakPolarHBondContact CZ-O 3.39Å; P111-G114 PolarHBondContact O-N 3.38Å; G114-T116 PolarHBondContact O-N 3.21Å
115N80Confident82.9Confident108 Ų10843.3 Ų43.358%0.57822%0.217SC*.  trans52.846.5177.7-68.5-39.2000114.2F39 R42 E117 E118 V119F39-N115 HydrophobicContact CZ-CB 4.37Å; R42-N115 VanDerWaalsContact NH2-CB 3.34Å; N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 PolarHBondContact O-N 2.91Å; N115-E118 PolarHBondContact O-N 3.01Å; N115-V119 PolarHBondContact O-N 3.43Å
116T85.8Confident82.9Confident30 Ų3043.5 Ų43.518%0.18422%0.217CC..Hα-helixtrans-53.1-43-171.2-430000113.7F93 P111 G114 V119 H120 L229F93-T116 HydrophobicContact CD1-CG2 4.32Å; P111-T116 WeakPolarHBondContact CD-OG1 3.22Å; P111-T116 HydrophobicContact CG-CG2 3.88Å; P111-T116 WeakPolarHBondContact CG-OG1 3.37Å; G114-T116 PolarHBondContact O-N 3.21Å; T116-V119 PolarHBondContact O-N 3.22Å; T116-H120 PolarHBondContact O-N 3.16Å; T116-H120 PolarHBondContact O-ND1 2.81Å; T116-L229 HydrophobicContact CG2-CD1 3.8Å; T116-L229 HydrophobicContact CG2-CD2 3.53Å; T116-L229 HydrophobicContact CG2-CG 4.32Å
117E87.1Confident83.3Confident65 Ų6543.4 Ų43.430%0.30422%0.217SC..Hα-helixtrans-61.5-49.2-179-165.6-170.5151.100111.8N115 V119 H120 Y121 Q228 A232 R235N115-E117 VanDerWaalsContact C-N 3.33Å; N115-E117 PolarHBondContact O-N 2.91Å; E117-V119 PolarHBondContact O-N 2.81Å; E117-H120 PolarHBondContact O-N 2.8Å; E117-Y121 WeakPolarHBondContact O-CB 3.08Å; E117-Y121 PolarHBondContact O-N 3.13Å; E117-Q228 HydrophobicContact CG-CG 4.23Å; E117-Q228 PolarHBondContact OE2-NE2 3.36Å; E117-A232 HydrophobicContact CB-CB 4.46Å; E117-A232 HydrophobicContact CG-CB 3.39Å; E117-A232 WeakPolarHBondContact O-CB 3.24Å; E117-R235 IonicContact OE1-CZ 2.96Å; E117-R235 IonicContact OE1-NH2 3.45Å; E117-R235 PolarHBondContact OE1-NH2 3.37Å
118E84.7Confident83.9Confident78 Ų7842.7 Ų42.736%0.36421%0.214SC..Hα-helixtrans-65.5-30.2-178.7-73.7-57.8121.600112.5N115 F122 R235N115-E118 PolarHBondContact O-N 3.01Å; E118-F122 WeakPolarHBondContact O-CB 3.32Å; E118-F122 PolarHBondContact O-N 3.42Å; E118-R235 IonicContact OE1-NH1 2.95Å; E118-R235 IonicContact OE1-NH2 3.64Å
119V85.5Confident84.7Confident4 Ų441.3 Ų41.32%0.02420%0.203CC..Hα-helixtrans-68.5-47.3173.2175.20000111.6F39 F93 N115 T116 E117 Y121 F122 F123F39-V119 HydrophobicContact CD2-CG2 3.47Å; F39-V119 VanDerWaalsContact CD2-CG2 3.47Å; F39-V119 HydrophobicContact CE2-CG2 3.22Å; F39-V119 HydrophobicContact CZ-CG2 4.45Å; F93-V119 HydrophobicContact CD1-CB 4Å; F93-V119 HydrophobicContact CD1-CG1 3.68Å; F93-V119 HydrophobicContact CD1-CG2 4.33Å; F93-V119 HydrophobicContact CD2-CG1 3.98Å; F93-V119 HydrophobicContact CE1-CB 3.75Å; F93-V119 HydrophobicContact CE1-CG1 3.74Å; F93-V119 HydrophobicContact CE1-CG2 3.58Å; F93-V119 HydrophobicContact CE2-CG1 4.03Å; F93-V119 HydrophobicContact CE2-CG2 4.43Å; F93-V119 HydrophobicContact CG-CG1 3.81Å; F93-V119 HydrophobicContact CZ-CB 4.16Å; F93-V119 HydrophobicContact CZ-CG1 3.91Å; F93-V119 HydrophobicContact CZ-CG2 3.64Å; N115-V119 PolarHBondContact O-N 3.43Å; T116-V119 PolarHBondContact O-N 3.22Å; E117-V119 PolarHBondContact O-N 2.81Å; V119-Y121 VanDerWaalsContact C-N 3.29Å; V119-Y121 PolarHBondContact O-N 3.4Å; V119-F122 PolarHBondContact O-N 2.8Å; V119-F122 VanDerWaalsContact O-N 3.11Å; V119-F123 HydrophobicContact CG1-CD2 3.46Å; V119-F123 VanDerWaalsContact CG1-CD2 3.46Å; V119-F123 HydrophobicContact CG1-CE2 3.2Å; V119-F123 HydrophobicContact CG1-CZ 4.31Å; V119-F123 VanDerWaalsContact O-CD2 3.25Å; V119-F123 WeakPolarHBondContact O-CD2 3.35Å; V119-F123 PolarHBondContact O-N 3Å
120H90.2Very high85.6Confident0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-61.2-42.4176.8-77.273.5000110.9F93 F94 P105 T116 E117 F122 F123 G124 A232 F233F93-H120 PolarHBondContact O-CE1 3.43Å; F93-H120 PolarHBondContact O-NE2 3.02Å; F94-H120 AromaticContact CE1-NE2 3.86Å; F94-H120 AromaticContact CZ-CD2 3.72Å; F94-H120 AromaticContact CZ-NE2 3.67Å; P105-H120 WeakPolarHBondContact CB-NE2 3.47Å; T116-H120 PolarHBondContact O-N 3.16Å; T116-H120 PolarHBondContact O-ND1 2.81Å; E117-H120 PolarHBondContact O-N 2.8Å; H120-F122 PolarHBondContact O-N 3.38Å; H120-F123 PolarHBondContact O-N 3.4Å; H120-G124 PolarHBondContact O-N 3.4Å; H120-A232 HydrophobicContact CB-CB 4.05Å; H120-F233 HydrophobicContact CB-CB 4.32Å; H120-F233 VanDerWaalsContact O-CA 3.29Å; H120-F233 WeakPolarHBondContact O-CA 3.17Å; H120-F233 WeakPolarHBondContact O-CD2 3.18Å
121Y89.7Confident86.4Confident21 Ų2129.6 Ų29.68%0.08215%0.146CC..Hα-helixtrans-57.2-46.2170.9167.4-111000112.9E117 V119 G124 R125 A232 R235 G236 E239E117-Y121 WeakPolarHBondContact O-CB 3.08Å; E117-Y121 PolarHBondContact O-N 3.13Å; V119-Y121 VanDerWaalsContact C-N 3.29Å; V119-Y121 PolarHBondContact O-N 3.4Å; Y121-G124 PolarHBondContact O-N 3.42Å; Y121-R125 HydrophobicContact CE2-CG 4.2Å; Y121-R125 PolarHBondContact O-N 2.85Å; Y121-R125 PolarHBondContact OH-NH1 3.32Å; Y121-A232 VanDerWaalsContact CA-O 3.22Å; Y121-A232 WeakPolarHBondContact CA-O 3.32Å; Y121-R235 HydrophobicContact CD2-CB 4.18Å; Y121-R235 HydrophobicContact CD2-CG 3.82Å; Y121-R235 HydrophobicContact CE2-CG 3.79Å; Y121-G236 VanDerWaalsContact CD2-CA 3.49Å; Y121-G236 WeakPolarHBondContact O-CA 3.4Å; Y121-E239 VanDerWaalsContact CE2-OE1 3.25Å; Y121-E239 WeakPolarHBondContact CE2-OE1 3.44Å; Y121-E239 PolarHBondContact OH-OE1 3.16Å; Y121-E239 PolarHBondContact OH-OE2 2.72Å
122F88.1Confident87.3Confident32 Ų3234.9 Ų34.914%0.1417%0.166CC..Hα-helixtrans-64.4-42178.3-178-112.8000112.8I38 F50 E118 V119 H120 G124 R125 L126I38-F122 HydrophobicContact CB-CE1 4.44Å; I38-F122 HydrophobicContact CG2-CD1 4.2Å; I38-F122 HydrophobicContact CG2-CE1 3.28Å; I38-F122 HydrophobicContact CG2-CE2 4.02Å; I38-F122 HydrophobicContact CG2-CZ 3.2Å; F50-F122 HydrophobicContact CE2-CE2 4.11Å; F50-F122 HydrophobicContact CZ-CE2 4.11Å; E118-F122 WeakPolarHBondContact O-CB 3.32Å; E118-F122 PolarHBondContact O-N 3.42Å; V119-F122 PolarHBondContact O-N 2.8Å; V119-F122 VanDerWaalsContact O-N 3.11Å; H120-F122 PolarHBondContact O-N 3.38Å; F122-G124 VanDerWaalsContact C-N 3.34Å; F122-R125 WeakPolarHBondContact O-CB 3.35Å; F122-R125 PolarHBondContact O-N 3.31Å; F122-R125 VanDerWaalsContact O-N 3.12Å; F122-L126 HydrophobicContact CD1-CD1 3.91Å; F122-L126 HydrophobicContact CD1-CG 4.37Å; F122-L126 HydrophobicContact CE1-CD1 3.29Å; F122-L126 HydrophobicContact CE1-CD2 4.35Å; F122-L126 HydrophobicContact CE1-CG 3.83Å; F122-L126 HydrophobicContact CE2-CD2 4.37Å; F122-L126 HydrophobicContact CE2-CG 4.2Å; F122-L126 HydrophobicContact CZ-CD1 3.64Å; F122-L126 HydrophobicContact CZ-CD2 3.82Å; F122-L126 HydrophobicContact CZ-CG 3.69Å; F122-L126 PolarHBondContact O-N 3.38Å
123F91.1Very high88.1Confident0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-66.2-36.4174.4-75.8-55.9000113.1F35 L83 F87 F94 V119 H120 R125 L126 V127 F233F35-F123 HydrophobicContact CD2-CE1 4.44Å; F35-F123 AromaticContact CD2-CZ 3.84Å; F35-F123 HydrophobicContact CD2-CZ 3.84Å; F35-F123 HydrophobicContact CE2-CE1 4.19Å; F35-F123 AromaticContact CE2-CE2 3.88Å; F35-F123 HydrophobicContact CE2-CE2 3.88Å; F35-F123 AromaticContact CE2-CZ 3.23Å; F35-F123 HydrophobicContact CE2-CZ 3.23Å; F35-F123 HydrophobicContact CZ-CE2 4.22Å; F35-F123 AromaticContact CZ-CZ 3.9Å; F35-F123 HydrophobicContact CZ-CZ 3.9Å; L83-F123 HydrophobicContact CD2-CD1 3.97Å; L83-F123 HydrophobicContact CD2-CE1 4.48Å; F87-F123 HydrophobicContact CE1-CB 4.33Å; F87-F123 HydrophobicContact CE1-CG 4.32Å; F87-F123 HydrophobicContact CE2-CD1 4.41Å; F87-F123 HydrophobicContact CZ-CB 4.08Å; F87-F123 HydrophobicContact CZ-CD1 4.13Å; F87-F123 HydrophobicContact CZ-CG 4.18Å; F94-F123 AromaticContact CE2-CD2 3.78Å; F94-F123 HydrophobicContact CE2-CD2 3.78Å; F94-F123 HydrophobicContact CE2-CE2 4.2Å; F94-F123 HydrophobicContact CE2-CG 4.47Å; F94-F123 HydrophobicContact CZ-CD2 4.3Å; V119-F123 HydrophobicContact CG1-CD2 3.46Å; V119-F123 VanDerWaalsContact CG1-CD2 3.46Å; V119-F123 HydrophobicContact CG1-CE2 3.2Å; V119-F123 HydrophobicContact CG1-CZ 4.31Å; V119-F123 VanDerWaalsContact O-CD2 3.25Å; V119-F123 WeakPolarHBondContact O-CD2 3.35Å; V119-F123 PolarHBondContact O-N 3Å; H120-F123 PolarHBondContact O-N 3.4Å; F123-R125 VanDerWaalsContact C-N 3.27Å; F123-R125 PolarHBondContact O-N 2.8Å; F123-L126 HydrophobicContact CD1-CD1 3.96Å; F123-L126 HydrophobicContact CE1-CD1 4.11Å; F123-L126 PolarHBondContact O-N 2.95Å; F123-V127 WeakPolarHBondContact O-CB 3.23Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 3.35Å; F123-F233 HydrophobicContact CB-CD2 4.16Å; F123-F233 HydrophobicContact CB-CE2 3.92Å
124G94Very high88.8Confident0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-54.5-45.8168.900000111.4H120 Y121 F122 G128 F233 G236 L237H120-G124 PolarHBondContact O-N 3.4Å; Y121-G124 PolarHBondContact O-N 3.42Å; F122-G124 VanDerWaalsContact C-N 3.34Å; G124-G128 PolarHBondContact O-N 2.93Å; G124-F233 WeakPolarHBondContact CA-O 3.16Å; G124-G236 CarbonylContact O-C 3.47Å; G124-L237 VanDerWaalsContact C-N 3.29Å; G124-L237 VanDerWaalsContact O-CA 3.23Å; G124-L237 WeakPolarHBondContact O-CA 3.43Å; G124-L237 PolarHBondContact O-N 2.73Å
125R91.1Very high89.1Confident17 Ų1737.9 Ų37.96%0.06418%0.179CC..Hα-helixtrans-64.6-42.9176-72-166.6-68.7-175.3-1.5112.7F45 F50 Y121 F122 F123 G128 K129 G236 E239 M240F45-R125 PolarHBondContact O-NH1 3.43Å; F50-R125 HydrophobicContact CD1-CB 4.3Å; F50-R125 HydrophobicContact CE1-CB 3.91Å; F50-R125 HydrophobicContact CZ-CB 4.35Å; Y121-R125 HydrophobicContact CE2-CG 4.2Å; Y121-R125 PolarHBondContact O-N 2.85Å; Y121-R125 PolarHBondContact OH-NH1 3.32Å; F122-R125 WeakPolarHBondContact O-CB 3.35Å; F122-R125 PolarHBondContact O-N 3.31Å; F122-R125 VanDerWaalsContact O-N 3.12Å; F123-R125 VanDerWaalsContact C-N 3.27Å; F123-R125 PolarHBondContact O-N 2.8Å; R125-G128 PolarHBondContact O-N 2.94Å; R125-K129 VanDerWaalsContact O-CB 3.24Å; R125-K129 WeakPolarHBondContact O-CB 3.37Å; R125-K129 PolarHBondContact O-N 3.48Å; R125-G236 WeakPolarHBondContact CA-O 3.44Å; R125-G236 WeakPolarHBondContact CG-O 3.25Å; R125-E239 WeakPolarHBondContact CD-OE2 3.25Å; R125-M240 WeakPolarHBondContact O-CG 3.43Å
126L90.5Very high89.2Confident3 Ų334.1 Ų34.12%0.01616%0.158CC..Hα-helixtrans-65.9-43.5179.1-72.4175.5000112.2F50 M79 V82 L83 F122 F123 K129 A130F50-L126 HydrophobicContact CE1-CD2 4.45Å; F50-L126 HydrophobicContact CZ-CD2 3.82Å; F50-L126 HydrophobicContact CZ-CG 4.48Å; M79-L126 HydrophobicContact CE-CB 4.05Å; M79-L126 HydrophobicContact CE-CD2 3.84Å; M79-L126 WeakPolarHBondContact CE-O 3.46Å; M79-L126 HydrophobicContact SD-CD2 3.73Å; V82-L126 HydrophobicContact CG1-CD1 3.67Å; L83-L126 HydrophobicContact CD2-CB 3.75Å; L83-L126 HydrophobicContact CD2-CD1 4.13Å; L83-L126 HydrophobicContact CG-CB 4.48Å; F122-L126 HydrophobicContact CD1-CD1 3.91Å; F122-L126 HydrophobicContact CD1-CG 4.37Å; F122-L126 HydrophobicContact CE1-CD1 3.29Å; F122-L126 HydrophobicContact CE1-CD2 4.35Å; F122-L126 HydrophobicContact CE1-CG 3.83Å; F122-L126 HydrophobicContact CE2-CD2 4.37Å; F122-L126 HydrophobicContact CE2-CG 4.2Å; F122-L126 HydrophobicContact CZ-CD1 3.64Å; F122-L126 HydrophobicContact CZ-CD2 3.82Å; F122-L126 HydrophobicContact CZ-CG 3.69Å; F122-L126 PolarHBondContact O-N 3.38Å; F123-L126 HydrophobicContact CD1-CD1 3.96Å; F123-L126 HydrophobicContact CE1-CD1 4.11Å; F123-L126 PolarHBondContact O-N 2.95Å; L126-K129 WeakPolarHBondContact O-CB 3.33Å; L126-K129 PolarHBondContact O-N 3.13Å; L126-A130 PolarHBondContact O-N 3.43Å
127V94.7Very high89.2Confident1 Ų132.9 Ų32.91%0.00615%0.15CC..Hα-helixtrans-63.5-44.4174.8171.40000110.4L83 F87 F123 K129 A130 I131 F141 F233 L237 I258L83-V127 HydrophobicContact CD2-CG2 4.12Å; F87-V127 HydrophobicContact CE2-CG2 4.32Å; F87-V127 HydrophobicContact CZ-CG2 4.04Å; F123-V127 WeakPolarHBondContact O-CB 3.23Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 3.35Å; V127-K129 VanDerWaalsContact C-N 3.29Å; V127-K129 PolarHBondContact O-N 3.28Å; V127-A130 WeakPolarHBondContact O-CB 3.5Å; V127-A130 PolarHBondContact O-N 2.77Å; V127-I131 HydrophobicContact CG1-CD1 4.27Å; V127-I131 WeakPolarHBondContact O-CG1 3.37Å; V127-I131 PolarHBondContact O-N 2.7Å; V127-F141 HydrophobicContact CG2-CE2 4.31Å; V127-F141 HydrophobicContact CG2-CZ 4.19Å; V127-F233 HydrophobicContact CB-CZ 4.13Å; V127-F233 HydrophobicContact CG1-CZ 4.42Å; V127-F233 HydrophobicContact CG2-CE2 4.41Å; V127-F233 HydrophobicContact CG2-CZ 3.98Å; V127-L237 HydrophobicContact CG1-CD1 4.34Å; V127-I258 HydrophobicContact CG1-CD1 4.22Å; V127-I258 HydrophobicContact CG1-CG1 4.09Å; V127-I258 HydrophobicContact CG1-CG2 3.95Å
128G94.7Very high88.9Confident0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-62.6-34.8174.400000113.5G124 R125 Y132 M240G124-G128 PolarHBondContact O-N 2.93Å; R125-G128 PolarHBondContact O-N 2.94Å; G128-Y132 VanDerWaalsContact O-CB 3.3Å; G128-Y132 WeakPolarHBondContact O-CB 3.37Å; G128-Y132 PolarHBondContact O-N 3.04Å; G128-M240 VanDerWaalsContact C-CB 3.47Å
129K91.5Very high89Confident0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-67.7-39.7173.4178.363.1179.3-178.80111.8F50 K51 G52 I54 F75 M79 R125 L126 V127 Y132 E133 M240F50-K129 HydrophobicContact CD1-CB 4.19Å; F50-K129 HydrophobicContact CD1-CD 4.46Å; F50-K129 HydrophobicContact CD1-CG 4.44Å; F50-K129 HydrophobicContact CE1-CB 3.72Å; F50-K129 HydrophobicContact CE1-CG 4.09Å; F50-K129 WeakPolarHBondContact O-CD 3.47Å; F50-K129 PolarHBondContact O-NZ 2.72Å; K51-K129 PolarHBondContact O-NZ 2.76Å; G52-K129 PolarHBondContact O-NZ 3.5Å; I54-K129 HydrophobicContact CD1-CD 4.34Å; I54-K129 HydrophobicContact CD1-CG 4.24Å; F75-K129 HydrophobicContact CZ-CG 4.07Å; M79-K129 HydrophobicContact CE-CB 4.32Å; M79-K129 HydrophobicContact CE-CG 4.32Å; R125-K129 VanDerWaalsContact O-CB 3.24Å; R125-K129 WeakPolarHBondContact O-CB 3.37Å; R125-K129 PolarHBondContact O-N 3.48Å; L126-K129 WeakPolarHBondContact O-CB 3.33Å; L126-K129 PolarHBondContact O-N 3.13Å; V127-K129 VanDerWaalsContact C-N 3.29Å; V127-K129 PolarHBondContact O-N 3.28Å; K129-Y132 PolarHBondContact O-N 3.09Å; K129-E133 HydrophobicContact CD-CG 4Å; K129-E133 WeakPolarHBondContact CE-OE1 3.26Å; K129-E133 IonicContact NZ-OE1 3.37Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.18Å; K129-E133 PolarHBondContact O-N 3.28Å; K129-M240 HydrophobicContact CB-CE 3.92Å; K129-M240 HydrophobicContact CD-CE 3.66Å; K129-M240 HydrophobicContact CG-CE 4.4Å
130A91.3Very high89.2Confident1 Ų130.3 Ų30.31%0.00814%0.138CC..Hα-helixtrans-61.8-48.1175.500000110.6M79 L126 V127 Y132 E133 E134 L135 V137M79-A130 HydrophobicContact CE-CB 4.22Å; L126-A130 PolarHBondContact O-N 3.43Å; V127-A130 WeakPolarHBondContact O-CB 3.5Å; V127-A130 PolarHBondContact O-N 2.77Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 2.84Å; A130-E133 CarbonylContact O-C 3.58Å; A130-E133 PolarHBondContact O-N 2.84Å; A130-E134 PolarHBondContact O-N 3.25Å; A130-E134 VanDerWaalsContact O-N 3.13Å; A130-L135 CarbonylContact C-O 3.44Å; A130-L135 HydrophobicContact CB-CB 4.15Å; A130-L135 WeakPolarHBondContact CB-O 3.36Å; A130-L135 PolarHBondContact O-N 3.09Å; A130-V137 HydrophobicContact CB-CG1 3.35Å
131I92.9Very high89.4Confident33 Ų3330.3 Ų30.317%0.16914%0.138CC..Hα-helixtrans-57.7-44.6173.4-62.8162.1000111.3V127 E133 E134 L237 I241 V257 I258V127-I131 HydrophobicContact CG1-CD1 4.27Å; V127-I131 WeakPolarHBondContact O-CG1 3.37Å; V127-I131 PolarHBondContact O-N 2.7Å; I131-E133 VanDerWaalsContact C-N 3.27Å; I131-E133 PolarHBondContact O-N 3.38Å; I131-E134 PolarHBondContact O-N 2.92Å; I131-L237 HydrophobicContact CD1-CD1 3.93Å; I131-I241 HydrophobicContact CB-CD1 4.16Å; I131-I241 HydrophobicContact CB-CG1 4.1Å; I131-I241 HydrophobicContact CG2-CD1 3.84Å; I131-I241 HydrophobicContact CG2-CG1 3.92Å; I131-V257 HydrophobicContact CD1-CG1 4.46Å; I131-V257 HydrophobicContact CG1-CG1 4.22Å; I131-V257 HydrophobicContact CG2-CG1 4.05Å; I131-I258 HydrophobicContact CD1-CG1 3.94Å; I131-I258 HydrophobicContact CG1-CG1 4.47Å
132Y91.6Very high89.4Confident116 Ų11629.4 Ų29.446%0.45514%0.135SC..Hα-helixtrans-63.1-31.7-177.6-175.8-98.2000113.3K51 G128 K129 A130 I241K51-Y132 HydrophobicContact CB-CE1 4.39Å; K51-Y132 WeakPolarHBondContact O-CE1 3.37Å; G128-Y132 VanDerWaalsContact O-CB 3.3Å; G128-Y132 WeakPolarHBondContact O-CB 3.37Å; G128-Y132 PolarHBondContact O-N 3.04Å; K129-Y132 PolarHBondContact O-N 3.09Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 2.84Å; Y132-I241 HydrophobicContact CD2-CD1 4.21Å
133E87.8Confident89.5Confident76 Ų7629.9 Ų29.936%0.35514%0.138SC..THydrogen-bonded Turntrans-99.812.7179.3-62.3-74.1178.100112.4F75 K129 A130 I131 L135F75-E133 HydrophobicContact CE1-CB 4.46Å; F75-E133 HydrophobicContact CE1-CG 4.14Å; K129-E133 HydrophobicContact CD-CG 4Å; K129-E133 WeakPolarHBondContact CE-OE1 3.26Å; K129-E133 IonicContact NZ-OE1 3.37Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.18Å; K129-E133 PolarHBondContact O-N 3.28Å; A130-E133 CarbonylContact O-C 3.58Å; A130-E133 PolarHBondContact O-N 2.84Å; I131-E133 VanDerWaalsContact C-N 3.27Å; I131-E133 PolarHBondContact O-N 3.38Å; E133-L135 HydrophobicContact CB-CD1 4.22Å; E133-L135 HydrophobicContact CB-CG 3.99Å; E133-L135 PolarHBondContact O-N 3.19Å; E133-L135 VanDerWaalsContact O-N 3.14Å
134E86.4Confident89.3Confident176 Ų17630.1 Ų30.182%0.82214%0.139SC*.THydrogen-bonded Turntrans56.429-177.8-56.5176.3-177.900113.3A130 I131A130-E134 PolarHBondContact O-N 3.25Å; A130-E134 VanDerWaalsContact O-N 3.13Å; I131-E134 PolarHBondContact O-N 2.92Å
135L83.2Confident89.1Confident34 Ų3430.1 Ų30.118%0.17814%0.139CC..  trans-90.7121.6175.8-62.3-178.8000110.3F75 R76 M79 A130 E133F75-L135 HydrophobicContact CD1-CD1 3.89Å; F75-L135 HydrophobicContact CE1-CD1 3.43Å; F75-L135 VanDerWaalsContact CE1-CD1 3.43Å; F75-L135 HydrophobicContact CZ-CD1 4.27Å; R76-L135 HydrophobicContact CB-CD2 4.28Å; R76-L135 HydrophobicContact CG-CD2 4.03Å; M79-L135 HydrophobicContact CG-CD1 4.28Å; A130-L135 CarbonylContact C-O 3.44Å; A130-L135 HydrophobicContact CB-CB 4.15Å; A130-L135 WeakPolarHBondContact CB-O 3.36Å; A130-L135 PolarHBondContact O-N 3.09Å; E133-L135 HydrophobicContact CB-CD1 4.22Å; E133-L135 HydrophobicContact CB-CG 3.99Å; E133-L135 PolarHBondContact O-N 3.19Å; E133-L135 VanDerWaalsContact O-N 3.14Å
136Q81.6Confident89.2Confident29 Ų2929.3 Ų29.314%0.13614%0.136CC..  trans-78134.2172.4-169.3171.7-71.400110.9R301 P302Q136-R301 VanDerWaalsContact NE2-CB 3.26Å; Q136-R301 PolarHBondContact NE2-O 3.28Å; Q136-P302 PolarHBondContact NE2-O 3.47Å; Q136-P302 PolarHBondContact OE1-O 3.28Å
137V85.3Confident89.1Confident5 Ų529.2 Ų29.23%0.0314%0.136CC..  trans-107.1144.3177.6-52.40000110.5L83 A130 P139 I258 S259L83-V137 HydrophobicContact CD1-CB 3.9Å; L83-V137 HydrophobicContact CD1-CG1 3.35Å; A130-V137 HydrophobicContact CB-CG1 3.35Å; V137-P139 HydrophobicContact CB-CG 4.35Å; V137-P139 HydrophobicContact CG2-CG 4.04Å; V137-I258 HydrophobicContact CG2-CG2 3.5Å; V137-I258 VanDerWaalsContact CG2-CG2 3.5Å; V137-I258 WeakPolarHBondContact CG2-O 3.31Å; V137-I258 PolarHBondContact N-O 3.39Å; V137-I258 VanDerWaalsContact N-O 3.15Å; V137-S259 WeakPolarHBondContact O-CA 3.37Å; V137-S259 VanDerWaalsContact O-CB 3.29Å; V137-S259 WeakPolarHBondContact O-CB 3.21Å
138E81.8Confident88.7Confident34 Ų3429.1 Ų29.116%0.15914%0.135CC..SBendtrans-69.8-40179.6-59.6-160.2134.600116.6R140 R294 S300 R301E138-R140 PolarHBondContact O-N 3.38Å; E138-R294 IonicContact OE1-CZ 2.61Å; E138-R294 IonicContact OE1-NH1 3.38Å; E138-R294 PolarHBondContact OE1-NH1 2.63Å; E138-R294 IonicContact OE2-CZ 2.99Å; E138-R294 IonicContact OE2-NH1 2.92Å; E138-R294 PolarHBondContact OE2-NH1 3.16Å; E138-R294 IonicContact OE2-NH2 3.86Å; E138-S300 WeakPolarHBondContact OE1-CB 3.35Å; E138-S300 PolarHBondContact OE1-N 3.24Å; E138-S300 PolarHBondContact OE1-OG 3.23Å; E138-R301 PolarHBondContact O-NH1 2.87Å; E138-R301 PolarHBondContact O-NH2 3.16Å; E138-R301 VanDerWaalsContact O-NH2 3.08Å
139P86Confident88.6Confident18 Ų1829.3 Ų29.312%0.11714%0.136CC..  trans-61.3136.7-174.226.5-38000111F87 L103 V137 S259F87-P139 HydrophobicContact CB-CB 4.29Å; F87-P139 HydrophobicContact CD2-CB 3.61Å; F87-P139 HydrophobicContact CD2-CG 3.41Å; F87-P139 VanDerWaalsContact CD2-CG 3.41Å; F87-P139 HydrophobicContact CE2-CB 4.13Å; F87-P139 HydrophobicContact CE2-CG 3.58Å; F87-P139 HydrophobicContact CG-CB 4.03Å; F87-P139 HydrophobicContact CG-CG 4.31Å; L103-P139 HydrophobicContact CD1-CB 3.62Å; V137-P139 HydrophobicContact CB-CG 4.35Å; V137-P139 HydrophobicContact CG2-CG 4.04Å; P139-S259 WeakPolarHBondContact O-CB 3.25Å; P139-S259 PolarHBondContact O-OG 2.77Å
140R90.1Very high88.5Confident41 Ų4129.6 Ų29.616%0.15514%0.138CC..  trans-103.4145.2172.9-65.4-179.959.6791.2109.3E102 L103 E138 T262E102-R140 HydrophobicContact CG-CB 4.26Å; E102-R140 IonicContact OE1-NH2 2.94Å; L103-R140 VanDerWaalsContact CB-O 3.28Å; L103-R140 WeakPolarHBondContact CB-O 3.31Å; L103-R140 WeakPolarHBondContact CG-O 3.43Å; L103-R140 PolarHBondContact N-O 2.86Å; E138-R140 PolarHBondContact O-N 3.38Å; R140-T262 VanDerWaalsContact NH1-CG2 3.29Å
141F93.4Very high88.1Confident0 Ų033.2 Ų33.20%015%0.152CC..BIsolated β-bridgetrans-106.4142.2177.9-64.7-65.4000110F87 F94 L103 V127 L143 Y145 L146 F233 Q255 I258F87-F141 HydrophobicContact CD1-CE1 4.15Å; F87-F141 AromaticContact CE1-CE1 3.55Å; F87-F141 HydrophobicContact CE1-CE1 3.55Å; F87-F141 AromaticContact CE1-CZ 3.69Å; F87-F141 HydrophobicContact CE1-CZ 3.69Å; F87-F141 HydrophobicContact CE2-CZ 4.15Å; F87-F141 AromaticContact CZ-CE1 3.88Å; F87-F141 HydrophobicContact CZ-CE1 3.88Å; F87-F141 AromaticContact CZ-CZ 3.49Å; F87-F141 HydrophobicContact CZ-CZ 3.49Å; F87-F141 VanDerWaalsContact CZ-CZ 3.49Å; F94-F141 HydrophobicContact CE1-CE1 4.45Å; L103-F141 HydrophobicContact CB-CD1 4.34Å; L103-F141 CarbonylContact O-C 3.6Å; L103-F141 VanDerWaalsContact O-CA 3.31Å; L103-F141 WeakPolarHBondContact O-CA 3.36Å; V127-F141 HydrophobicContact CG2-CE2 4.31Å; V127-F141 HydrophobicContact CG2-CZ 4.19Å; F141-L143 PolarHBondContact O-N 3.21Å; F141-Y145 HydrophobicContact CB-CD1 4.03Å; F141-Y145 AromaticContact CD1-CD1 3.75Å; F141-Y145 HydrophobicContact CD1-CD1 3.75Å; F141-Y145 AromaticContact CD1-CE1 3.64Å; F141-Y145 HydrophobicContact CD1-CE1 3.64Å; F141-Y145 HydrophobicContact CE1-CE1 4.06Å; F141-Y145 HydrophobicContact CG-CD1 4.14Å; F141-Y145 HydrophobicContact CG-CE1 4.26Å; F141-L146 HydrophobicContact CB-CD1 4.17Å; F141-L146 HydrophobicContact CB-CD2 3.74Å; F141-L146 HydrophobicContact CB-CG 3.77Å; F141-L146 HydrophobicContact CD2-CD2 4.06Å; F141-L146 HydrophobicContact CG-CD2 4.17Å; F141-F233 HydrophobicContact CE1-CZ 4.43Å; F141-F233 HydrophobicContact CE2-CZ 4.26Å; F141-F233 HydrophobicContact CZ-CE2 4.24Å; F141-F233 AromaticContact CZ-CZ 3.89Å; F141-F233 HydrophobicContact CZ-CZ 3.89Å; F141-Q255 PolarHBondContact O-OE1 2.92Å; F141-I258 HydrophobicContact CD2-CD1 4.12Å; F141-I258 HydrophobicContact CD2-CG2 4.21Å; F141-I258 HydrophobicContact CE2-CD1 4.33Å; F141-I258 HydrophobicContact CE2-CG2 3.9Å
142A90.5Very high87.1Confident2 Ų231.9 Ų31.92%0.01715%0.145CC..  trans-61.1136.3174.800000109.8T97 E102 L103 Y104 F144 Y145 L146T97-A142 HydrophobicContact CG2-CB 4.18Å; E102-A142 HydrophobicContact CB-CB 4.13Å; E102-A142 WeakPolarHBondContact OE2-CA 3.29Å; L103-A142 PolarHBondContact O-N 2.98Å; Y104-A142 HydrophobicContact CD1-CB 4.43Å; A142-F144 HydrophobicContact CB-CD1 3.4Å; A142-F144 HydrophobicContact CB-CE1 3.18Å; A142-F144 HydrophobicContact CB-CG 4.49Å; A142-F144 HydrophobicContact CB-CZ 4.11Å; A142-F144 PolarHBondContact O-N 3.42Å; A142-F144 VanDerWaalsContact O-N 3.12Å; A142-Y145 WeakPolarHBondContact O-CA 3.44Å; A142-Y145 WeakPolarHBondContact O-CB 3.5Å; A142-Y145 PolarHBondContact O-N 3Å; A142-L146 PolarHBondContact O-N 3.13Å; A142-L146 VanDerWaalsContact O-N 3.13Å
143L90.7Very high85.6Confident41 Ų4130.1 Ų30.122%0.21514%0.144CC..Hα-helixtrans-59.5-32-172.8-67.9-177.2000112.7F141 Y145 L146 A147 L196 P251 A252 Q255F141-L143 PolarHBondContact O-N 3.21Å; L143-Y145 VanDerWaalsContact C-N 3.29Å; L143-Y145 PolarHBondContact O-N 3.25Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 2.8Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.27Å; L143-L196 HydrophobicContact CB-CD1 3.5Å; L143-L196 HydrophobicContact CB-CD2 4.35Å; L143-P251 HydrophobicContact CD2-CB 4.33Å; L143-A252 HydrophobicContact CD2-CB 4.41Å; L143-Q255 HydrophobicContact CD2-CB 4.26Å
144F86Confident83.7Confident6 Ų630.8 Ų30.83%0.02615%0.153CC..Hα-helixtrans-65.7-33.5175.677-90.7000112.4Y104 A142 A147 A148 C193 L196 F200 F226Y104-F144 VanDerWaalsContact CB-CZ 3.45Å; Y104-F144 HydrophobicContact CD1-CE1 4.12Å; Y104-F144 AromaticContact CD1-CZ 3.94Å; Y104-F144 HydrophobicContact CD1-CZ 3.94Å; Y104-F144 AromaticContact CD2-CZ 3.91Å; Y104-F144 HydrophobicContact CD2-CZ 3.91Å; Y104-F144 HydrophobicContact CG-CE1 4.12Å; Y104-F144 AromaticContact CG-CZ 3.51Å; Y104-F144 HydrophobicContact CG-CZ 3.51Å; A142-F144 HydrophobicContact CB-CD1 3.4Å; A142-F144 HydrophobicContact CB-CE1 3.18Å; A142-F144 HydrophobicContact CB-CG 4.49Å; A142-F144 HydrophobicContact CB-CZ 4.11Å; A142-F144 PolarHBondContact O-N 3.42Å; A142-F144 VanDerWaalsContact O-N 3.12Å; F144-A147 PolarHBondContact O-N 2.61Å; F144-A148 WeakPolarHBondContact O-CB 3.28Å; F144-A148 PolarHBondContact O-N 3.13Å; F144-C193 HydrophobicContact CB-CB 4.06Å; F144-L196 HydrophobicContact CB-CD1 4.04Å; F144-F200 HydrophobicContact CB-CD2 3.97Å; F144-F200 HydrophobicContact CB-CE2 3.25Å; F144-F200 HydrophobicContact CB-CZ 3.66Å; F144-F200 AromaticContact CD1-CD1 3.7Å; F144-F200 HydrophobicContact CD1-CD1 3.7Å; F144-F200 AromaticContact CD1-CD2 3.84Å; F144-F200 HydrophobicContact CD1-CD2 3.84Å; F144-F200 AromaticContact CD1-CE1 3.17Å; F144-F200 HydrophobicContact CD1-CE1 3.17Å; F144-F200 AromaticContact CD1-CE2 3.34Å; F144-F200 HydrophobicContact CD1-CE2 3.34Å; F144-F200 AromaticContact CD1-CG 4Å; F144-F200 HydrophobicContact CD1-CG 4Å; F144-F200 AromaticContact CD1-CZ 2.96Å; F144-F200 HydrophobicContact CD1-CZ 2.96Å; F144-F200 AromaticContact CD2-CD2 3.78Å; F144-F200 HydrophobicContact CD2-CD2 3.78Å; F144-F200 AromaticContact CD2-CE2 3.91Å; F144-F200 HydrophobicContact CD2-CE2 3.91Å; F144-F200 HydrophobicContact CD2-CG 4.15Å; F144-F200 HydrophobicContact CD2-CZ 4.36Å; F144-F200 AromaticContact CE1-CD1 3.35Å; F144-F200 HydrophobicContact CE1-CD1 3.35Å; F144-F200 HydrophobicContact CE1-CD2 4.16Å; F144-F200 AromaticContact CE1-CE1 3.19Å; F144-F200 HydrophobicContact CE1-CE1 3.19Å; F144-F200 HydrophobicContact CE1-CE2 4.04Å; F144-F200 AromaticContact CE1-CG 3.84Å; F144-F200 HydrophobicContact CE1-CG 3.84Å; F144-F200 AromaticContact CE1-CZ 3.56Å; F144-F200 HydrophobicContact CE1-CZ 3.56Å; F144-F200 HydrophobicContact CE2-CD1 4.36Å; F144-F200 HydrophobicContact CE2-CD2 4.16Å; F144-F200 HydrophobicContact CE2-CG 4.06Å; F144-F200 HydrophobicContact CG-CD1 4.28Å; F144-F200 AromaticContact CG-CD2 3.58Å; F144-F200 HydrophobicContact CG-CD2 3.58Å; F144-F200 AromaticContact CG-CE1 3.96Å; F144-F200 HydrophobicContact CG-CE1 3.96Å; F144-F200 AromaticContact CG-CE2 3.21Å; F144-F200 HydrophobicContact CG-CE2 3.21Å; F144-F200 HydrophobicContact CG-CG 4.1Å; F144-F200 AromaticContact CG-CZ 3.41Å; F144-F200 HydrophobicContact CG-CZ 3.41Å; F144-F200 VanDerWaalsContact CG-CZ 3.41Å; F144-F200 HydrophobicContact CZ-CB 4.47Å; F144-F200 AromaticContact CZ-CD1 3.73Å; F144-F200 HydrophobicContact CZ-CD1 3.73Å; F144-F200 HydrophobicContact CZ-CD2 4.31Å; F144-F200 HydrophobicContact CZ-CE1 4.04Å; F144-F200 AromaticContact CZ-CG 3.87Å; F144-F200 HydrophobicContact CZ-CG 3.87Å; F144-F200 HydrophobicContact CZ-CZ 4.46Å; F144-F226 HydrophobicContact CE2-CE2 4.21Å; F144-F226 HydrophobicContact CE2-CZ 4.36Å
145Y90.5Very high81.5Confident0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-71.5-41.5177.3174.3-134.5000110.3F94 P105 F141 A142 L143 A148 I149 I230 F233F94-Y145 HydrophobicContact CE1-CE1 4.43Å; P105-Y145 HydrophobicContact CG-CD2 3.85Å; P105-Y145 HydrophobicContact CG-CE1 4.17Å; P105-Y145 HydrophobicContact CG-CE2 3.35Å; P105-Y145 HydrophobicContact CG-CG 4.44Å; F141-Y145 HydrophobicContact CB-CD1 4.03Å; F141-Y145 AromaticContact CD1-CD1 3.75Å; F141-Y145 HydrophobicContact CD1-CD1 3.75Å; F141-Y145 AromaticContact CD1-CE1 3.64Å; F141-Y145 HydrophobicContact CD1-CE1 3.64Å; F141-Y145 HydrophobicContact CE1-CE1 4.06Å; F141-Y145 HydrophobicContact CG-CD1 4.14Å; F141-Y145 HydrophobicContact CG-CE1 4.26Å; A142-Y145 WeakPolarHBondContact O-CA 3.44Å; A142-Y145 WeakPolarHBondContact O-CB 3.5Å; A142-Y145 PolarHBondContact O-N 3Å; L143-Y145 VanDerWaalsContact C-N 3.29Å; L143-Y145 PolarHBondContact O-N 3.25Å; Y145-A148 WeakPolarHBondContact O-CA 3.42Å; Y145-A148 VanDerWaalsContact O-CB 3.23Å; Y145-A148 WeakPolarHBondContact O-CB 3.41Å; Y145-A148 PolarHBondContact O-N 3.36Å; Y145-A148 VanDerWaalsContact O-N 3.16Å; Y145-I149 HydrophobicContact CD1-CD1 4.24Å; Y145-I149 HydrophobicContact CD2-CD1 4.13Å; Y145-I149 HydrophobicContact CD2-CG1 4.31Å; Y145-I149 HydrophobicContact CE1-CD1 3.86Å; Y145-I149 HydrophobicContact CE2-CD1 3.74Å; Y145-I149 HydrophobicContact CE2-CG1 3.95Å; Y145-I149 HydrophobicContact CG-CD1 4.36Å; Y145-I149 WeakPolarHBondContact O-CG1 3.46Å; Y145-I149 PolarHBondContact O-N 3.05Å; Y145-I230 HydrophobicContact CD2-CG1 3.92Å; Y145-I230 HydrophobicContact CE2-CG1 3.77Å; Y145-F233 WeakPolarHBondContact OH-CB 3.29Å; Y145-F233 WeakPolarHBondContact OH-CD1 3.33Å; Y145-F233 VanDerWaalsContact OH-CD2 3.24Å; Y145-F233 WeakPolarHBondContact OH-CD2 3.21Å; Y145-F233 WeakPolarHBondContact OH-CG 3.47Å
146L92.6Very high79.4Confident0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-64.1-40.2171.7-65.4-177.8000112.2F141 A142 L143 A148 I149 L150 P251 L254 Q255 I258F141-L146 HydrophobicContact CB-CD1 4.17Å; F141-L146 HydrophobicContact CB-CD2 3.74Å; F141-L146 HydrophobicContact CB-CG 3.77Å; F141-L146 HydrophobicContact CD2-CD2 4.06Å; F141-L146 HydrophobicContact CG-CD2 4.17Å; A142-L146 PolarHBondContact O-N 3.13Å; A142-L146 VanDerWaalsContact O-N 3.13Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 2.8Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.18Å; L146-I149 HydrophobicContact CD2-CD1 4.18Å; L146-I149 PolarHBondContact O-N 3.02Å; L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 3.03Å; L146-P251 HydrophobicContact CB-CB 4.04Å; L146-P251 VanDerWaalsContact CD1-O 3.29Å; L146-P251 WeakPolarHBondContact CD1-O 3.49Å; L146-L254 HydrophobicContact CD2-CD2 4.12Å; L146-L254 HydrophobicContact CD2-CG 4.5Å; L146-Q255 HydrophobicContact CD1-CB 3.61Å; L146-Q255 HydrophobicContact CD1-CG 4.38Å; L146-I258 HydrophobicContact CD2-CD1 4Å
147A89.1Confident77.3Confident0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-59.9-40.7171.700000111.1L143 F144 L150 Y151 L195 P251L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.27Å; F144-A147 PolarHBondContact O-N 2.61Å; A147-L150 PolarHBondContact O-N 2.94Å; A147-Y151 HydrophobicContact CB-CD2 4.04Å; A147-Y151 HydrophobicContact CB-CE2 4.21Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 WeakPolarHBondContact O-CD2 3.17Å; A147-Y151 PolarHBondContact O-N 3.18Å; A147-L195 HydrophobicContact CB-CD2 4.1Å; A147-P251 HydrophobicContact CB-CB 4.47Å; A147-P251 HydrophobicContact CB-CG 3.81Å
148A86.9Confident75.1Confident0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-59.6-49173.800000112.2F144 Y145 L146 L150 Y151 S152 F159 I230F144-A148 WeakPolarHBondContact O-CB 3.28Å; F144-A148 PolarHBondContact O-N 3.13Å; Y145-A148 WeakPolarHBondContact O-CA 3.42Å; Y145-A148 VanDerWaalsContact O-CB 3.23Å; Y145-A148 WeakPolarHBondContact O-CB 3.41Å; Y145-A148 PolarHBondContact O-N 3.36Å; Y145-A148 VanDerWaalsContact O-N 3.16Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.18Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 3.24Å; A148-Y151 PolarHBondContact O-N 2.92Å; A148-S152 WeakPolarHBondContact O-CB 3.38Å; A148-S152 PolarHBondContact O-N 2.97Å; A148-S152 PolarHBondContact O-OG 2.99Å; A148-F159 HydrophobicContact CB-CE1 4.28Å; A148-F159 HydrophobicContact CB-CE2 3.84Å; A148-F159 HydrophobicContact CB-CZ 3.28Å; A148-I230 HydrophobicContact CB-CD1 3.44Å; A148-I230 VanDerWaalsContact CB-CD1 3.44Å; A148-I230 HydrophobicContact CB-CG1 3.94Å; A148-I230 HydrophobicContact CB-CG2 3.86Å
149I90.9Very high73.2Confident3 Ų337.2 Ų37.22%0.01519%0.189CC..Hα-helixtrans-59.1-41.3178.7-70.6161.5000110.8Y145 L146 I230 F233 R234 L237Y145-I149 HydrophobicContact CD1-CD1 4.24Å; Y145-I149 HydrophobicContact CD2-CD1 4.13Å; Y145-I149 HydrophobicContact CD2-CG1 4.31Å; Y145-I149 HydrophobicContact CE1-CD1 3.86Å; Y145-I149 HydrophobicContact CE2-CD1 3.74Å; Y145-I149 HydrophobicContact CE2-CG1 3.95Å; Y145-I149 HydrophobicContact CG-CD1 4.36Å; Y145-I149 WeakPolarHBondContact O-CG1 3.46Å; Y145-I149 PolarHBondContact O-N 3.05Å; L146-I149 HydrophobicContact CD2-CD1 4.18Å; L146-I149 PolarHBondContact O-N 3.02Å; I149-I230 HydrophobicContact CG1-CG2 4.24Å; I149-F233 HydrophobicContact CD1-CD1 3.53Å; I149-F233 HydrophobicContact CD1-CE1 3.73Å; I149-F233 HydrophobicContact CD1-CG 4.5Å; I149-F233 HydrophobicContact CG1-CD1 4.19Å; I149-R234 HydrophobicContact CG2-CB 4.21Å; I149-R234 HydrophobicContact CG2-CG 4.24Å; I149-R234 WeakPolarHBondContact O-CD 3.23Å; I149-R234 PolarHBondContact O-NE 3.46Å; I149-R234 PolarHBondContact O-NH1 3.18Å; I149-L237 HydrophobicContact CG2-CD2 3.93Å
150L89.8Confident70.9Confident6 Ų638 Ų383%0.03119%0.193CC..Hα-helixtrans-76.4-36.8-177.6-70.8174.1000113.5L146 A147 A148 F243 L246 F249 P251 L254L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 3.03Å; A147-L150 PolarHBondContact O-N 2.94Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 3.24Å; L150-F243 VanDerWaalsContact O-CZ 3.28Å; L150-F243 WeakPolarHBondContact O-CZ 3.38Å; L150-L246 HydrophobicContact CD2-CB 4.26Å; L150-L246 WeakPolarHBondContact CD2-O 3.12Å; L150-F249 WeakPolarHBondContact CD1-O 3.27Å; L150-P251 HydrophobicContact CD1-CG 4.32Å; L150-L254 HydrophobicContact CD1-CD2 4Å; L150-L254 HydrophobicContact CD2-CD2 3.97Å; L150-L254 HydrophobicContact CG-CD2 3.96Å
151Y82.4Confident68.4Low77 Ų7745.6 Ų45.630%0.30222%0.223SC..Hα-helixtrans-116.2-10.2-165.7-51.7-54.4000115.2A147 A148 D153 L195 P251A147-Y151 HydrophobicContact CB-CD2 4.04Å; A147-Y151 HydrophobicContact CB-CE2 4.21Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 WeakPolarHBondContact O-CD2 3.17Å; A147-Y151 PolarHBondContact O-N 3.18Å; A148-Y151 PolarHBondContact O-N 2.92Å; Y151-D153 PolarHBondContact O-N 2.72Å; Y151-L195 HydrophobicContact CD2-CD2 4.01Å; Y151-L195 HydrophobicContact CE2-CD2 3.45Å; Y151-L195 VanDerWaalsContact CE2-CD2 3.45Å; Y151-P251 HydrophobicContact CE2-CG 4.04Å
152S72.9Confident65.5Low5 Ų549.5 Ų49.54%0.03524%0.243CC..  trans-73107.7173.360.30000110.4A148 T154 I230 R234A148-S152 WeakPolarHBondContact O-CB 3.38Å; A148-S152 PolarHBondContact O-N 2.97Å; A148-S152 PolarHBondContact O-OG 2.99Å; S152-T154 PolarHBondContact O-N 2.83Å; S152-I230 WeakPolarHBondContact OG-CG2 3.42Å; S152-R234 PolarHBondContact O-NH1 3.39Å
153D60.3Low63Low80 Ų8055.2 Ų55.243%0.42828%0.283SS..  trans-66.8122.9166.3-171.2-10.8000108.2Y151 K155 S156Y151-D153 PolarHBondContact O-N 2.72Å; D153-K155 PolarHBondContact O-N 3.16Å; D153-K155 PolarHBondContact OD1-N 3.33Å; D153-S156 CarbonylContact O-C 3.54Å; D153-S156 PolarHBondContact O-N 2.94Å; D153-S156 VanDerWaalsContact O-N 3.16Å
154T47.6Very low60.3Low89 Ų8957.6 Ų57.655%0.54630%0.303SS..THydrogen-bonded Turntrans-57.1-9.8179.152.90000114.5S152 A231S152-T154 PolarHBondContact O-N 2.83Å; T154-A231 HydrophobicContact CG2-CB 4.26Å
155K40.6Very low57.7Low191 Ų19166.3 Ų66.383%0.8334%0.337SS*.THydrogen-bonded Turntrans-111.9-7.9-179.3-66-170.1178.6-178.80115.3D153D153-K155 PolarHBondContact O-N 3.16Å; D153-K155 PolarHBondContact OD1-N 3.33Å
156S37.7Very low54.9Low47 Ų4770.5 Ų70.533%0.32936%0.36SS..SBendtrans-143119.9172.752.30000106.8D153 D158D153-S156 CarbonylContact O-C 3.54Å; D153-S156 PolarHBondContact O-N 2.94Å; D153-S156 VanDerWaalsContact O-N 3.16Å; S156-D158 PolarHBondContact O-N 3.17Å
157V38.3Very low52.2Low58 Ų5882 Ų8235%0.35240%0.403SS..  trans-62.975.6163.3-179.20000106.7V169 L172 F227V157-V169 WeakPolarHBondContact O-CG1 3.45Å; V157-L172 HydrophobicContact CG2-CD1 4.3Å; V157-F227 HydrophobicContact CG1-CD2 3.77Å; V157-F227 HydrophobicContact CG1-CE1 4.27Å; V157-F227 HydrophobicContact CG1-CE2 3.46Å; V157-F227 VanDerWaalsContact CG1-CE2 3.46Å; V157-F227 HydrophobicContact CG1-CG 4.37Å; V157-F227 HydrophobicContact CG1-CZ 3.75Å; V157-F227 HydrophobicContact CG2-CD2 4.27Å; V157-F227 HydrophobicContact CG2-CG 4.33Å
158D40Very low49.7Very low66 Ų6685 Ų8535%0.35342%0.421SS..  trans-130.977.3-176.7-153.1-0.1000105.1S156 N160S156-D158 PolarHBondContact O-N 3.17Å; D158-N160 PolarHBondContact O-N 3.12Å; D158-N160 VanDerWaalsContact O-N 3.12Å; D158-N160 WeakPolarHBondContact OD1-CB 3.25Å; D158-N160 PolarHBondContact OD1-N 2.85Å
159F40.7Very low47.6Very low52 Ų5287.8 Ų87.823%0.22844%0.438CS..  trans-68.36.4166.6-115-89000112.1A148 Y161 F226 F227A148-F159 HydrophobicContact CB-CE1 4.28Å; A148-F159 HydrophobicContact CB-CE2 3.84Å; A148-F159 HydrophobicContact CB-CZ 3.28Å; F159-Y161 PolarHBondContact O-N 2.86Å; F159-F226 HydrophobicContact CE2-CE1 4.5Å; F159-F227 AromaticContact CD2-CE1 3.23Å; F159-F227 HydrophobicContact CD2-CE1 3.23Å; F159-F227 AromaticContact CD2-CZ 3.29Å; F159-F227 HydrophobicContact CD2-CZ 3.29Å; F159-F227 HydrophobicContact CE2-CD1 4.35Å; F159-F227 AromaticContact CE2-CE1 3.2Å; F159-F227 HydrophobicContact CE2-CE1 3.2Å; F159-F227 AromaticContact CE2-CZ 3.46Å; F159-F227 HydrophobicContact CE2-CZ 3.46Å; F159-F227 VanDerWaalsContact CE2-CZ 3.46Å; F159-F227 HydrophobicContact CG-CZ 4.5Å
160N38.8Very low45.6Very low35 Ų3591 Ų9119%0.18745%0.451CS..  trans-99.354.1176.9-67-19.7000112.4D158 L162 S163 N166 V169D158-N160 PolarHBondContact O-N 3.12Å; D158-N160 VanDerWaalsContact O-N 3.12Å; D158-N160 WeakPolarHBondContact OD1-CB 3.25Å; D158-N160 PolarHBondContact OD1-N 2.85Å; N160-L162 CarbonylContact O-C 3.44Å; N160-L162 VanDerWaalsContact O-C 3.24Å; N160-L162 PolarHBondContact O-N 2.7Å; N160-S163 PolarHBondContact O-N 3.04Å; N160-S163 VanDerWaalsContact O-N 3.15Å; N160-N166 PolarHBondContact ND2-O 3.43Å; N160-V169 HydrophobicContact CB-CG2 4.47Å; N160-V169 VanDerWaalsContact ND2-CG2 3.29Å; N160-V169 WeakPolarHBondContact ND2-CG2 3.3Å
161Y36.1Very low44.3Very low200 Ų20094.8 Ų94.878%0.78447%0.471SS*.  trans-64.61.5152.7-122.2-85.9000112.6F159F159-Y161 PolarHBondContact O-N 2.86Å
162L34Very low43.8Very low81 Ų8192.6 Ų92.642%0.42446%0.464SS..  trans-91.577.5148.1-63.5176000109.5N160 S164 Y165 T194N160-L162 CarbonylContact O-C 3.44Å; N160-L162 VanDerWaalsContact O-C 3.24Å; N160-L162 PolarHBondContact O-N 2.7Å; L162-S164 PolarHBondContact O-N 3.3Å; L162-Y165 PolarHBondContact O-N 3.34Å; L162-T194 HydrophobicContact CD1-CG2 4.36Å
163S36.6Very low44Very low122 Ų122101.2 Ų101.285%0.85350%0.496SS*.THydrogen-bonded Turntrans-63.215.4172.362.40000113.9N160N160-S163 PolarHBondContact O-N 3.04Å; N160-S163 VanDerWaalsContact O-N 3.15Å
164S34.9Very low44.9Very low91 Ų9199.7 Ų99.764%0.63649%0.492SS*.THydrogen-bonded Turntrans-120.3-17.3178.456.80000115.3L162L162-S164 PolarHBondContact O-N 3.3Å
165Y31.6Very low46.7Very low190 Ų19095.5 Ų95.575%0.74547%0.466SS*.SBendtrans-15582.5-176.6-98.1-91000112.7L162L162-Y165 PolarHBondContact O-N 3.34Å
166N31.3Very low48.8Very low88 Ų8887.9 Ų87.947%0.47144%0.439SS..  165.8125.9120.3-159.2-4.1000110.5N160 T168N160-N166 PolarHBondContact ND2-O 3.43Å; N166-T168 PolarHBondContact O-N 3.11Å; N166-T168 PolarHBondContact OD1-OG1 2.88Å
167R35.1Very low51.1Low240 Ų24091.4 Ų91.491%0.90645%0.454SS*.  trans-78.833.5-166.4-158.7-177-163.3-176.14.5113.7
168T37.3Very low53.4Low63 Ų6391.3 Ų91.339%0.38745%0.447SS..  trans-12031.5-172.5-27.40000112.9N166 Y170 L187N166-T168 PolarHBondContact O-N 3.11Å; N166-T168 PolarHBondContact OD1-OG1 2.88Å; T168-Y170 VanDerWaalsContact C-N 3.27Å; T168-Y170 HydrophobicContact CG2-CD2 4.15Å; T168-Y170 HydrophobicContact CG2-CE2 4.05Å; T168-Y170 PolarHBondContact O-N 3.04Å; T168-L187 HydrophobicContact CG2-CD2 3.6Å
169V42.6Very low55.8Low60 Ų6094 Ų9436%0.36446%0.458SS..  trans-90.776.8156.5-179.90000106.5V157 N160 N171V157-V169 WeakPolarHBondContact O-CG1 3.45Å; N160-V169 HydrophobicContact CB-CG2 4.47Å; N160-V169 VanDerWaalsContact ND2-CG2 3.29Å; N160-V169 WeakPolarHBondContact ND2-CG2 3.3Å; V169-N171 VanDerWaalsContact C-N 3.34Å; V169-N171 PolarHBondContact O-N 2.92Å; V169-N171 VanDerWaalsContact O-N 3.1Å
170Y48.9Very low58.1Low69 Ų6993.3 Ų93.327%0.27147%0.466SS..  trans-63.2111.7149.4-65.5-78.1000104.7T168 L172 S174 V175 L185 L187T168-Y170 VanDerWaalsContact C-N 3.27Å; T168-Y170 HydrophobicContact CG2-CD2 4.15Å; T168-Y170 HydrophobicContact CG2-CE2 4.05Å; T168-Y170 PolarHBondContact O-N 3.04Å; Y170-L172 PolarHBondContact O-N 2.9Å; Y170-L172 VanDerWaalsContact O-N 3.16Å; Y170-S174 VanDerWaalsContact CA-OG 3.29Å; Y170-S174 WeakPolarHBondContact CA-OG 3.32Å; Y170-S174 VanDerWaalsContact CB-OG 3.3Å; Y170-S174 WeakPolarHBondContact CB-OG 3.45Å; Y170-V175 HydrophobicContact CD2-CG2 4.35Å; Y170-V175 HydrophobicContact CG-CG2 3.85Å; Y170-L185 HydrophobicContact CD1-CD2 4.09Å; Y170-L185 HydrophobicContact CD2-CD2 4.46Å; Y170-L185 HydrophobicContact CE1-CD2 3.36Å; Y170-L185 HydrophobicContact CE2-CB 3.99Å; Y170-L185 HydrophobicContact CE2-CD2 3.78Å; Y170-L185 HydrophobicContact CE2-CG 4.45Å; Y170-L185 VanDerWaalsContact OH-CD2 3.27Å; Y170-L185 WeakPolarHBondContact OH-CD2 3.49Å; Y170-L187 HydrophobicContact CD2-CD1 3.88Å; Y170-L187 HydrophobicContact CD2-CD2 4.45Å; Y170-L187 HydrophobicContact CD2-CG 4.37Å; Y170-L187 HydrophobicContact CE2-CD1 4.29Å; Y170-L187 HydrophobicContact CE2-CG 4.43Å
171N62.6Low60.4Low87 Ų8795.3 Ų95.347%0.46548%0.476SS..  trans-41.4131.5159.4177.4-14.9000106.3V169 R173 S174 V175V169-N171 VanDerWaalsContact C-N 3.34Å; V169-N171 PolarHBondContact O-N 2.92Å; V169-N171 VanDerWaalsContact O-N 3.1Å; N171-R173 CarbonylContact O-C 3.55Å; N171-R173 PolarHBondContact O-N 3.23Å; N171-R173 WeakPolarHBondContact OD1-CB 2.95Å; N171-R173 WeakPolarHBondContact OD1-CG 3.08Å; N171-R173 PolarHBondContact OD1-N 3.36Å; N171-R173 VanDerWaalsContact OD1-N 3.07Å; N171-S174 PolarHBondContact N-OG 2.74Å; N171-S174 WeakPolarHBondContact O-CA 3.19Å; N171-S174 PolarHBondContact O-N 3.01Å; N171-S174 PolarHBondContact O-OG 3.37Å; N171-V175 PolarHBondContact O-N 3.33Å
172L72.7Confident62.8Low30 Ų3086.6 Ų86.616%0.15744%0.443CS..Hα-helixtrans-48.7-29.8179.6-72.1174.6000112.3V157 Y170 A176 V220 V223 A224V157-L172 HydrophobicContact CG2-CD1 4.3Å; Y170-L172 PolarHBondContact O-N 2.9Å; Y170-L172 VanDerWaalsContact O-N 3.16Å; L172-A176 VanDerWaalsContact O-CB 3.24Å; L172-A176 WeakPolarHBondContact O-CB 3.38Å; L172-A176 PolarHBondContact O-N 3.33Å; L172-V220 HydrophobicContact CB-CG1 4.13Å; L172-V220 HydrophobicContact CD2-CB 4.44Å; L172-V220 HydrophobicContact CD2-CG1 4.29Å; L172-V220 HydrophobicContact CD2-CG2 4.32Å; L172-V223 HydrophobicContact CD1-CG1 4.22Å; L172-V223 HydrophobicContact CD2-CB 3.73Å; L172-V223 HydrophobicContact CD2-CG1 3.66Å; L172-V223 HydrophobicContact CD2-CG2 4.44Å; L172-V223 HydrophobicContact CG-CG1 4.37Å; L172-A224 HydrophobicContact CD1-CB 4.1Å
173R75.7Confident65.2Low187 Ų18789.7 Ų89.771%0.70646%0.455SS*.Hα-helixtrans-63.4-37171.1-63.6-176.7179.4-179-0.2114.8N171 N177N171-R173 CarbonylContact O-C 3.55Å; N171-R173 PolarHBondContact O-N 3.23Å; N171-R173 WeakPolarHBondContact OD1-CB 2.95Å; N171-R173 WeakPolarHBondContact OD1-CG 3.08Å; N171-R173 PolarHBondContact OD1-N 3.36Å; N171-R173 VanDerWaalsContact OD1-N 3.07Å; R173-N177 WeakPolarHBondContact O-CB 3.38Å; R173-N177 PolarHBondContact O-N 2.98Å; R173-N177 PolarHBondContact O-ND2 3.29Å
174S81Confident67.6Low48 Ų4888.4 Ų88.434%0.33644%0.438SS..Hα-helixtrans-72.5-38.9176.963.70000111.8Y170 N171 Y178Y170-S174 VanDerWaalsContact CA-OG 3.29Å; Y170-S174 WeakPolarHBondContact CA-OG 3.32Å; Y170-S174 VanDerWaalsContact CB-OG 3.3Å; Y170-S174 WeakPolarHBondContact CB-OG 3.45Å; N171-S174 PolarHBondContact N-OG 2.74Å; N171-S174 WeakPolarHBondContact O-CA 3.19Å; N171-S174 PolarHBondContact O-N 3.01Å; N171-S174 PolarHBondContact O-OG 3.37Å; S174-Y178 WeakPolarHBondContact O-CA 3.18Å; S174-Y178 VanDerWaalsContact O-CB 3.28Å; S174-Y178 WeakPolarHBondContact O-CB 3.12Å; S174-Y178 PolarHBondContact O-N 3.48Å
175V84.7Confident69.9Low1 Ų184.2 Ų84.21%0.00641%0.409CS..Hα-helixtrans-63.7-46.3171.1-172.90000110.9Y170 N171 N177 Y178 L187 V211 R216 Y219 V220Y170-V175 HydrophobicContact CD2-CG2 4.35Å; Y170-V175 HydrophobicContact CG-CG2 3.85Å; N171-V175 PolarHBondContact O-N 3.33Å; V175-N177 PolarHBondContact O-N 3.46Å; V175-Y178 WeakPolarHBondContact O-CB 3.44Å; V175-Y178 PolarHBondContact O-N 2.81Å; V175-L187 HydrophobicContact CG1-CD1 4.39Å; V175-L187 HydrophobicContact CG2-CD1 4.04Å; V175-V211 HydrophobicContact CG1-CG1 4.46Å; V175-R216 HydrophobicContact CG1-CB 4.45Å; V175-Y219 HydrophobicContact CG1-CD1 4.08Å; V175-Y219 HydrophobicContact CG1-CE1 4.43Å; V175-Y219 HydrophobicContact CG2-CE1 4.45Å; V175-V220 HydrophobicContact CB-CG2 3.88Å; V175-V220 HydrophobicContact CG1-CG2 3.98Å
176A84.2Confident72.5Confident31 Ų3182.3 Ų82.326%0.25641%0.407SS..Hα-helixtrans-58.5-34.1-177.400000113.2L172 R216 V220L172-A176 VanDerWaalsContact O-CB 3.24Å; L172-A176 WeakPolarHBondContact O-CB 3.38Å; L172-A176 PolarHBondContact O-N 3.33Å; A176-R216 PolarHBondContact O-NE 3.39Å; A176-V220 HydrophobicContact CB-CG2 4.2Å
177N86.3Confident75.3Confident120 Ų12078.9 Ų78.964%0.64239%0.388SS*.THydrogen-bonded Turntrans-108.112.4-177.7-59.5-49.8000113.1R173 V175 E179R173-N177 WeakPolarHBondContact O-CB 3.38Å; R173-N177 PolarHBondContact O-N 2.98Å; R173-N177 PolarHBondContact O-ND2 3.29Å; V175-N177 PolarHBondContact O-N 3.46Å; N177-E179 PolarHBondContact O-N 3.43Å
178Y87.2Confident77.9Confident56 Ų5668.8 Ų68.822%0.2235%0.352CS..  trans-72.1117.9-177-170.7-107.2000110.9S174 V175 G180 N181 F182 L185 R216S174-Y178 WeakPolarHBondContact O-CA 3.18Å; S174-Y178 VanDerWaalsContact O-CB 3.28Å; S174-Y178 WeakPolarHBondContact O-CB 3.12Å; S174-Y178 PolarHBondContact O-N 3.48Å; V175-Y178 WeakPolarHBondContact O-CB 3.44Å; V175-Y178 PolarHBondContact O-N 2.81Å; Y178-G180 VanDerWaalsContact CE1-CA 3.47Å; Y178-G180 WeakPolarHBondContact CE1-O 3.25Å; Y178-N181 WeakPolarHBondContact CE1-O 3.49Å; Y178-N181 PolarHBondContact OH-O 2.95Å; Y178-F182 HydrophobicContact CD1-CD1 4.4Å; Y178-F182 HydrophobicContact CD1-CD2 4.02Å; Y178-F182 HydrophobicContact CD1-CE1 4.18Å; Y178-F182 AromaticContact CD1-CE2 3.79Å; Y178-F182 HydrophobicContact CD1-CE2 3.79Å; Y178-F182 HydrophobicContact CD1-CG 4.3Å; Y178-F182 AromaticContact CD1-CZ 3.85Å; Y178-F182 HydrophobicContact CD1-CZ 3.85Å; Y178-F182 HydrophobicContact CE1-CD2 4.45Å; Y178-F182 HydrophobicContact CG-CZ 4.46Å; Y178-F182 VanDerWaalsContact O-CE2 3.32Å; Y178-F182 WeakPolarHBondContact O-CE2 3.49Å; Y178-F182 VanDerWaalsContact O-CZ 3.3Å; Y178-F182 WeakPolarHBondContact O-CZ 3.4Å; Y178-L185 HydrophobicContact CD1-CD1 3.73Å; Y178-L185 HydrophobicContact CD1-CD2 3.9Å; Y178-L185 HydrophobicContact CD1-CG 4.02Å; Y178-L185 HydrophobicContact CD2-CD2 3.97Å; Y178-L185 HydrophobicContact CE1-CD1 4.07Å; Y178-L185 HydrophobicContact CE1-CD2 3.68Å; Y178-L185 HydrophobicContact CE1-CG 3.84Å; Y178-L185 HydrophobicContact CE2-CD2 3.78Å; Y178-L185 HydrophobicContact CG-CD1 4.16Å; Y178-L185 HydrophobicContact CG-CD2 4.03Å; Y178-R216 PolarHBondContact O-NH1 3.09Å
179E89.1Confident80.5Confident122 Ų12265.8 Ų65.857%0.5733%0.333SS*.  trans-107.15.3179-66-59134.600113.5N177 K213 R216N177-E179 PolarHBondContact O-N 3.43Å; E179-K213 IonicContact OE2-NZ 3.93Å; E179-K213 PolarHBondContact OE2-NZ 2.9Å; E179-R216 IonicContact OE1-CZ 2.74Å; E179-R216 IonicContact OE1-NH1 3.7Å; E179-R216 PolarHBondContact OE1-NH1 2.93Å; E179-R216 IonicContact OE1-NH2 3.37Å; E179-R216 PolarHBondContact OE1-NH2 3.25Å
180G88.9Confident82.6Confident38 Ų3863.4 Ų63.439%0.39232%0.319SS..SBendtrans-83.7-169.7177.100000113.9Y178 F182Y178-G180 VanDerWaalsContact CE1-CA 3.47Å; Y178-G180 WeakPolarHBondContact CE1-O 3.25Å; G180-F182 PolarHBondContact O-N 3.16Å
181N87.1Confident84.1Confident78 Ų7861.3 Ų61.342%0.41731%0.313SS..  trans-70.9115.3172.4-177.63.6000110.3Y178 E183 N184Y178-N181 WeakPolarHBondContact CE1-O 3.49Å; Y178-N181 PolarHBondContact OH-O 2.95Å; N181-E183 PolarHBondContact ND2-OE2 2.92Å; N181-E183 VanDerWaalsContact ND2-OE2 3.11Å; N181-E183 PolarHBondContact O-N 3.22Å; N181-E183 WeakPolarHBondContact OD1-CB 3.37Å; N181-E183 WeakPolarHBondContact OD1-CG 2.96Å; N181-E183 PolarHBondContact OD1-N 2.95Å; N181-N184 VanDerWaalsContact O-CB 3.27Å; N181-N184 WeakPolarHBondContact O-CB 3.38Å; N181-N184 PolarHBondContact O-N 2.66Å; N181-N184 VanDerWaalsContact O-N 3.1Å
182F86.5Confident85Confident17 Ų1761.9 Ų61.98%0.07532%0.315CS..G310 helixtrans-62.9-25.2-179.2-85.4-97.8000113.9Y178 G180 N184 L185 V211 K213 R216Y178-F182 HydrophobicContact CD1-CD1 4.4Å; Y178-F182 HydrophobicContact CD1-CD2 4.02Å; Y178-F182 HydrophobicContact CD1-CE1 4.18Å; Y178-F182 AromaticContact CD1-CE2 3.79Å; Y178-F182 HydrophobicContact CD1-CE2 3.79Å; Y178-F182 HydrophobicContact CD1-CG 4.3Å; Y178-F182 AromaticContact CD1-CZ 3.85Å; Y178-F182 HydrophobicContact CD1-CZ 3.85Å; Y178-F182 HydrophobicContact CE1-CD2 4.45Å; Y178-F182 HydrophobicContact CG-CZ 4.46Å; Y178-F182 VanDerWaalsContact O-CE2 3.32Å; Y178-F182 WeakPolarHBondContact O-CE2 3.49Å; Y178-F182 VanDerWaalsContact O-CZ 3.3Å; Y178-F182 WeakPolarHBondContact O-CZ 3.4Å; G180-F182 PolarHBondContact O-N 3.16Å; F182-N184 PolarHBondContact O-N 3.18Å; F182-L185 HydrophobicContact CD1-CD1 3.52Å; F182-L185 HydrophobicContact CE1-CD1 3.78Å; F182-L185 HydrophobicContact CG-CD1 4.24Å; F182-L185 WeakPolarHBondContact O-CB 3.43Å; F182-L185 PolarHBondContact O-N 3.02Å; F182-V211 WeakPolarHBondContact CB-O 3.43Å; F182-V211 HydrophobicContact CD1-CG1 4.16Å; F182-V211 HydrophobicContact CE1-CG1 4.3Å; F182-K213 HydrophobicContact CD2-CB 4.11Å; F182-K213 HydrophobicContact CE2-CB 3.78Å; F182-K213 HydrophobicContact CE2-CG 4.32Å; F182-K213 HydrophobicContact CZ-CB 4.36Å; F182-R216 HydrophobicContact CE1-CB 3.82Å; F182-R216 HydrophobicContact CZ-CB 4.2Å; F182-R216 VanDerWaalsContact CZ-CD 3.44Å; F182-R216 HydrophobicContact CZ-CG 4.44Å
183E85.7Confident85.1Confident146 Ų14660.8 Ų60.868%0.68231%0.309SS*.G310 helixtrans-58.5-29.8173.9-63.8179150.200112N181 L185 H186N181-E183 PolarHBondContact ND2-OE2 2.92Å; N181-E183 VanDerWaalsContact ND2-OE2 3.11Å; N181-E183 PolarHBondContact O-N 3.22Å; N181-E183 WeakPolarHBondContact OD1-CB 3.37Å; N181-E183 WeakPolarHBondContact OD1-CG 2.96Å; N181-E183 PolarHBondContact OD1-N 2.95Å; E183-L185 PolarHBondContact O-N 2.99Å; E183-H186 PolarHBondContact O-CE1 3.07Å; E183-H186 PolarHBondContact O-N 3.46Å; E183-H186 PolarHBondContact O-ND1 2.97Å
184N85.3Confident85Confident94 Ų9454 Ų5450%0.50329%0.289SS..G310 helixtrans-71.2-17.2178.2-61.8-20.1000113.2N181 F182 H186N181-N184 VanDerWaalsContact O-CB 3.27Å; N181-N184 WeakPolarHBondContact O-CB 3.38Å; N181-N184 PolarHBondContact O-N 2.66Å; N181-N184 VanDerWaalsContact O-N 3.1Å; F182-N184 PolarHBondContact O-N 3.18Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-CD2 2.89Å
185L84.1Confident84.6Confident3 Ų355.7 Ų55.72%0.01629%0.294CS..G310 helixtrans-76.6-23.2178.5-54.9-178.5000111.6Y170 Y178 F182 E183 L187Y170-L185 HydrophobicContact CD1-CD2 4.09Å; Y170-L185 HydrophobicContact CD2-CD2 4.46Å; Y170-L185 HydrophobicContact CE1-CD2 3.36Å; Y170-L185 HydrophobicContact CE2-CB 3.99Å; Y170-L185 HydrophobicContact CE2-CD2 3.78Å; Y170-L185 HydrophobicContact CE2-CG 4.45Å; Y170-L185 VanDerWaalsContact OH-CD2 3.27Å; Y170-L185 WeakPolarHBondContact OH-CD2 3.49Å; Y178-L185 HydrophobicContact CD1-CD1 3.73Å; Y178-L185 HydrophobicContact CD1-CD2 3.9Å; Y178-L185 HydrophobicContact CD1-CG 4.02Å; Y178-L185 HydrophobicContact CD2-CD2 3.97Å; Y178-L185 HydrophobicContact CE1-CD1 4.07Å; Y178-L185 HydrophobicContact CE1-CD2 3.68Å; Y178-L185 HydrophobicContact CE1-CG 3.84Å; Y178-L185 HydrophobicContact CE2-CD2 3.78Å; Y178-L185 HydrophobicContact CG-CD1 4.16Å; Y178-L185 HydrophobicContact CG-CD2 4.03Å; F182-L185 HydrophobicContact CD1-CD1 3.52Å; F182-L185 HydrophobicContact CE1-CD1 3.78Å; F182-L185 HydrophobicContact CG-CD1 4.24Å; F182-L185 WeakPolarHBondContact O-CB 3.43Å; F182-L185 PolarHBondContact O-N 3.02Å; E183-L185 PolarHBondContact O-N 2.99Å; L185-L187 HydrophobicContact CB-CB 4.35Å; L185-L187 HydrophobicContact CB-CD1 4Å; L185-L187 HydrophobicContact CB-CG 3.89Å; L185-L187 HydrophobicContact CD1-CD1 4.21Å; L185-L187 PolarHBondContact O-N 2.87Å; L185-L187 VanDerWaalsContact O-N 3.15Å
186H85.6Confident84.1Confident151 Ų15157.8 Ų57.870%0.69931%0.305SS*.  trans48.937-174-58.1-68000113.1E183 N184E183-H186 PolarHBondContact O-CE1 3.07Å; E183-H186 PolarHBondContact O-N 3.46Å; E183-H186 PolarHBondContact O-ND1 2.97Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-CD2 2.89Å
187L89.8Confident83.8Confident15 Ų1565.1 Ų65.18%0.07933%0.331CS..  trans-98.9143.7178.9-66.4177.2000110.9T168 Y170 V175 L185 V211 Y219T168-L187 HydrophobicContact CG2-CD2 3.6Å; Y170-L187 HydrophobicContact CD2-CD1 3.88Å; Y170-L187 HydrophobicContact CD2-CD2 4.45Å; Y170-L187 HydrophobicContact CD2-CG 4.37Å; Y170-L187 HydrophobicContact CE2-CD1 4.29Å; Y170-L187 HydrophobicContact CE2-CG 4.43Å; V175-L187 HydrophobicContact CG1-CD1 4.39Å; V175-L187 HydrophobicContact CG2-CD1 4.04Å; L185-L187 HydrophobicContact CB-CB 4.35Å; L185-L187 HydrophobicContact CB-CD1 4Å; L185-L187 HydrophobicContact CB-CG 3.89Å; L185-L187 HydrophobicContact CD1-CD1 4.21Å; L185-L187 PolarHBondContact O-N 2.87Å; L185-L187 VanDerWaalsContact O-N 3.15Å; L187-V211 HydrophobicContact CB-CB 3.82Å; L187-V211 HydrophobicContact CB-CG2 3.62Å; L187-V211 PolarHBondContact O-N 3.29Å; L187-Y219 HydrophobicContact CD1-CE1 4Å
188D91.3Very high83.4Confident28 Ų2863 Ų6315%0.1532%0.318CS..BIsolated β-bridgetrans-132.8178164.348.652.3000108.3S190 V209 R210 Y219D188-S190 PolarHBondContact O-N 3.3Å; D188-S190 VanDerWaalsContact OD1-CB 3.26Å; D188-S190 WeakPolarHBondContact OD1-CB 3.35Å; D188-S190 PolarHBondContact OD1-N 3.24Å; D188-S190 PolarHBondContact OD1-OG 2.91Å; D188-V209 CarbonylContact C-O 3.3Å; D188-V209 WeakPolarHBondContact CA-O 3.48Å; D188-V209 VanDerWaalsContact CB-O 3.3Å; D188-V209 WeakPolarHBondContact CB-O 3.22Å; D188-R210 IonicContact OD2-NH1 2.76Å; D188-R210 PolarHBondContact OD2-NH1 3.33Å; D188-R210 VanDerWaalsContact OD2-NH1 3.12Å; D188-Y219 WeakPolarHBondContact O-CE2 3.47Å
189F91.2Very high83.1Confident0 Ų064.1 Ų64.10%033%0.33CS..SBendtrans-78.855.4179.6-80.3-116.9000111E201 L202 I203 G206 V209 V211 N215 E218 Y219F189-E201 CarbonylContact O-C 3.53Å; F189-E201 WeakPolarHBondContact O-CA 3.42Å; F189-L202 HydrophobicContact CB-CB 4.31Å; F189-L202 PolarHBondContact O-N 3.3Å; F189-I203 HydrophobicContact CB-CD1 3.94Å; F189-I203 HydrophobicContact CB-CG1 3.79Å; F189-I203 HydrophobicContact CD1-CD1 3.62Å; F189-I203 HydrophobicContact CD1-CG1 3.99Å; F189-I203 HydrophobicContact CD1-CG2 4.08Å; F189-I203 HydrophobicContact CE1-CD1 4.23Å; F189-I203 HydrophobicContact CG-CD1 3.81Å; F189-I203 HydrophobicContact CG-CG1 4.15Å; F189-G206 PolarHBondContact N-O 3Å; F189-G206 CarbonylContact O-C 3.59Å; F189-G206 WeakPolarHBondContact O-CA 3.29Å; F189-V209 HydrophobicContact CB-CB 4.48Å; F189-V209 HydrophobicContact CD2-CB 4.13Å; F189-V209 HydrophobicContact CD2-CG1 3.76Å; F189-V209 WeakPolarHBondContact CD2-O 3.02Å; F189-V209 HydrophobicContact CE2-CG1 4.02Å; F189-V209 HydrophobicContact CG-CG1 4.43Å; F189-V209 PolarHBondContact N-O 3.48Å; F189-V209 VanDerWaalsContact N-O 3.09Å; F189-V211 HydrophobicContact CD2-CG2 4.07Å; F189-V211 HydrophobicContact CE2-CG2 4.04Å; F189-N215 HydrophobicContact CE2-CB 4.22Å; F189-N215 WeakPolarHBondContact CE2-ND2 3.25Å; F189-N215 HydrophobicContact CZ-CB 4.02Å; F189-E218 HydrophobicContact CE1-CB 4.13Å; F189-E218 HydrophobicContact CE1-CG 3.93Å; F189-E218 HydrophobicContact CZ-CB 4.18Å; F189-E218 HydrophobicContact CZ-CG 4.44Å; F189-Y219 HydrophobicContact CD1-CD2 4.49Å; F189-Y219 HydrophobicContact CD2-CD2 4.26Å; F189-Y219 HydrophobicContact CE2-CD2 4.46Å; F189-Y219 HydrophobicContact CG-CD2 4.28Å
190S86.8Confident82.6Confident10 Ų1060 Ų607%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-135.7158.9173.280.20000112.1D188 T199 F200D188-S190 PolarHBondContact O-N 3.3Å; D188-S190 VanDerWaalsContact OD1-CB 3.26Å; D188-S190 WeakPolarHBondContact OD1-CB 3.35Å; D188-S190 PolarHBondContact OD1-N 3.24Å; D188-S190 PolarHBondContact OD1-OG 2.91Å; S190-T199 WeakPolarHBondContact OG-CG2 3.4Å; S190-F200 CarbonylContact C-O 3.42Å; S190-F200 WeakPolarHBondContact CA-O 3.42Å; S190-F200 VanDerWaalsContact CB-O 3.31Å; S190-F200 WeakPolarHBondContact CB-O 3.37Å
191I80.9Confident82.5Confident26 Ų2661.8 Ų61.813%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-114.2126.7170.2-64.3-178.9000107.7T199 F200 L202 F226I191-T199 WeakPolarHBondContact O-CA 3.33Å; I191-F200 PolarHBondContact N-O 3.23Å; I191-F200 PolarHBondContact O-N 3.38Å; I191-L202 HydrophobicContact CD1-CD2 3.65Å; I191-L202 HydrophobicContact CD1-CG 4.41Å; I191-L202 HydrophobicContact CG1-CD1 4.28Å; I191-L202 HydrophobicContact CG1-CD2 3.9Å; I191-L202 HydrophobicContact CG1-CG 4.11Å; I191-F226 HydrophobicContact CD1-CB 4.31Å; I191-F226 HydrophobicContact CD1-CD1 3.27Å; I191-F226 HydrophobicContact CD1-CD2 4.1Å; I191-F226 HydrophobicContact CD1-CE1 3.42Å; I191-F226 VanDerWaalsContact CD1-CE1 3.42Å; I191-F226 HydrophobicContact CD1-CE2 4.24Å; I191-F226 HydrophobicContact CD1-CG 3.64Å; I191-F226 HydrophobicContact CD1-CZ 3.92Å
192I80.7Confident82.3Confident99 Ų9958.1 Ų58.151%0.50829%0.289SS..EExtended strand (participates in β ladder)trans-95.9120.8176.9-57.9171.9000108.5T194 T199I192-T194 PolarHBondContact O-N 3.36Å; I192-T199 HydrophobicContact CG1-CG2 4.32Å
193C75Confident82.3Confident6 Ų658.6 Ų58.64%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-92.791.4168.3-171.80000109.3F144 L195 L196 F197 Q198 F200F144-C193 HydrophobicContact CB-CB 4.06Å; C193-L195 PolarHBondContact O-N 2.85Å; C193-L196 PolarHBondContact O-N 3.11Å; C193-L196 VanDerWaalsContact O-N 3.1Å; C193-F197 PolarHBondContact O-N 3.15Å; C193-Q198 PolarHBondContact N-O 2.98Å; C193-Q198 PolarHBondContact O-N 3.3Å; C193-F200 HydrophobicContact CB-CE2 4.3Å
194T74.3Confident82.3Confident46 Ų4657.5 Ų57.528%0.28230%0.298SS..THydrogen-bonded Turntrans-58.6-34-178.5-47.50000112.7L162 I192 L196 F197L162-T194 HydrophobicContact CD1-CG2 4.36Å; I192-T194 PolarHBondContact O-N 3.36Å; T194-L196 PolarHBondContact O-N 3.42Å; T194-F197 PolarHBondContact O-N 3.33Å
195L72.2Confident82.5Confident83 Ų8354.5 Ų54.544%0.43529%0.288SS..THydrogen-bonded Turntrans-58.7-34.9178.2179.365.8000112.6A147 Y151 C193 P251A147-L195 HydrophobicContact CB-CD2 4.1Å; Y151-L195 HydrophobicContact CD2-CD2 4.01Å; Y151-L195 HydrophobicContact CE2-CD2 3.45Å; Y151-L195 VanDerWaalsContact CE2-CD2 3.45Å; C193-L195 PolarHBondContact O-N 2.85Å; L195-P251 HydrophobicContact CD2-CG 4.09Å
196L73.4Confident82.8Confident44 Ų4454.3 Ų54.323%0.2329%0.288CS..THydrogen-bonded Turntrans-109-2.8-175.1-60.4175.2000112.9L143 F144 C193 T194 Q198L143-L196 HydrophobicContact CB-CD1 3.5Å; L143-L196 HydrophobicContact CB-CD2 4.35Å; F144-L196 HydrophobicContact CB-CD1 4.04Å; C193-L196 PolarHBondContact O-N 3.11Å; C193-L196 VanDerWaalsContact O-N 3.1Å; T194-L196 PolarHBondContact O-N 3.42Å; L196-Q198 HydrophobicContact CB-CB 4.31Å; L196-Q198 HydrophobicContact CB-CG 4.12Å; L196-Q198 PolarHBondContact O-N 3.3Å
197F78.4Confident83.1Confident186 Ų18648.9 Ų48.982%0.81627%0.269SS*.THydrogen-bonded Turntrans52.236.7-170.7-55.6-82.2000112.9C193 T194C193-F197 PolarHBondContact O-N 3.15Å; T194-F197 PolarHBondContact O-N 3.33Å
198Q78.7Confident83.3Confident76 Ų7655.1 Ų55.136%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-116.3147.3-179.2-70.8175.8-26.100111.1C193 L196 F200C193-Q198 PolarHBondContact N-O 2.98Å; C193-Q198 PolarHBondContact O-N 3.3Å; L196-Q198 HydrophobicContact CB-CB 4.31Å; L196-Q198 HydrophobicContact CB-CG 4.12Å; L196-Q198 PolarHBondContact O-N 3.3Å; Q198-F200 HydrophobicContact CB-CE2 3.42Å; Q198-F200 VanDerWaalsContact CB-CE2 3.42Å; Q198-F200 HydrophobicContact CB-CZ 3.4Å; Q198-F200 VanDerWaalsContact CB-CZ 3.4Å; Q198-F200 HydrophobicContact CG-CZ 4.15Å
199T80.4Confident83.5Confident78 Ų7856.1 Ų56.148%0.47931%0.309SS..EExtended strand (participates in β ladder)trans-122137.2177-59.70000109.5S190 I191 I192S190-T199 WeakPolarHBondContact OG-CG2 3.4Å; I191-T199 WeakPolarHBondContact O-CA 3.33Å; I192-T199 HydrophobicContact CG1-CG2 4.32Å
200F78.4Confident83.7Confident37 Ų3763.1 Ų63.116%0.16234%0.336CS..EExtended strand (participates in β ladder)trans-129.7138.2-179.5-54.2-83.6000110.4F144 S190 I191 C193 Q198F144-F200 HydrophobicContact CB-CD2 3.97Å; F144-F200 HydrophobicContact CB-CE2 3.25Å; F144-F200 HydrophobicContact CB-CZ 3.66Å; F144-F200 AromaticContact CD1-CD1 3.7Å; F144-F200 HydrophobicContact CD1-CD1 3.7Å; F144-F200 AromaticContact CD1-CD2 3.84Å; F144-F200 HydrophobicContact CD1-CD2 3.84Å; F144-F200 AromaticContact CD1-CE1 3.17Å; F144-F200 HydrophobicContact CD1-CE1 3.17Å; F144-F200 AromaticContact CD1-CE2 3.34Å; F144-F200 HydrophobicContact CD1-CE2 3.34Å; F144-F200 AromaticContact CD1-CG 4Å; F144-F200 HydrophobicContact CD1-CG 4Å; F144-F200 AromaticContact CD1-CZ 2.96Å; F144-F200 HydrophobicContact CD1-CZ 2.96Å; F144-F200 AromaticContact CD2-CD2 3.78Å; F144-F200 HydrophobicContact CD2-CD2 3.78Å; F144-F200 AromaticContact CD2-CE2 3.91Å; F144-F200 HydrophobicContact CD2-CE2 3.91Å; F144-F200 HydrophobicContact CD2-CG 4.15Å; F144-F200 HydrophobicContact CD2-CZ 4.36Å; F144-F200 AromaticContact CE1-CD1 3.35Å; F144-F200 HydrophobicContact CE1-CD1 3.35Å; F144-F200 HydrophobicContact CE1-CD2 4.16Å; F144-F200 AromaticContact CE1-CE1 3.19Å; F144-F200 HydrophobicContact CE1-CE1 3.19Å; F144-F200 HydrophobicContact CE1-CE2 4.04Å; F144-F200 AromaticContact CE1-CG 3.84Å; F144-F200 HydrophobicContact CE1-CG 3.84Å; F144-F200 AromaticContact CE1-CZ 3.56Å; F144-F200 HydrophobicContact CE1-CZ 3.56Å; F144-F200 HydrophobicContact CE2-CD1 4.36Å; F144-F200 HydrophobicContact CE2-CD2 4.16Å; F144-F200 HydrophobicContact CE2-CG 4.06Å; F144-F200 HydrophobicContact CG-CD1 4.28Å; F144-F200 AromaticContact CG-CD2 3.58Å; F144-F200 HydrophobicContact CG-CD2 3.58Å; F144-F200 AromaticContact CG-CE1 3.96Å; F144-F200 HydrophobicContact CG-CE1 3.96Å; F144-F200 AromaticContact CG-CE2 3.21Å; F144-F200 HydrophobicContact CG-CE2 3.21Å; F144-F200 HydrophobicContact CG-CG 4.1Å; F144-F200 AromaticContact CG-CZ 3.41Å; F144-F200 HydrophobicContact CG-CZ 3.41Å; F144-F200 VanDerWaalsContact CG-CZ 3.41Å; F144-F200 HydrophobicContact CZ-CB 4.47Å; F144-F200 AromaticContact CZ-CD1 3.73Å; F144-F200 HydrophobicContact CZ-CD1 3.73Å; F144-F200 HydrophobicContact CZ-CD2 4.31Å; F144-F200 HydrophobicContact CZ-CE1 4.04Å; F144-F200 AromaticContact CZ-CG 3.87Å; F144-F200 HydrophobicContact CZ-CG 3.87Å; F144-F200 HydrophobicContact CZ-CZ 4.46Å; S190-F200 CarbonylContact C-O 3.42Å; S190-F200 WeakPolarHBondContact CA-O 3.42Å; S190-F200 VanDerWaalsContact CB-O 3.31Å; S190-F200 WeakPolarHBondContact CB-O 3.37Å; I191-F200 PolarHBondContact N-O 3.23Å; I191-F200 PolarHBondContact O-N 3.38Å; C193-F200 HydrophobicContact CB-CE2 4.3Å; Q198-F200 HydrophobicContact CB-CE2 3.42Å; Q198-F200 VanDerWaalsContact CB-CE2 3.42Å; Q198-F200 HydrophobicContact CB-CZ 3.4Å; Q198-F200 VanDerWaalsContact CB-CZ 3.4Å; Q198-F200 HydrophobicContact CG-CZ 4.15Å
201E85.8Confident83.9Confident74 Ų7462.8 Ų62.835%0.34633%0.333SS..EExtended strand (participates in β ladder)trans-90.4130.8-173.2-51.7-170.6133.900111.6W107 F189 I203 G205 G206 A207W107-E201 WeakPolarHBondContact CZ2-O 3.31Å; F189-E201 CarbonylContact O-C 3.53Å; F189-E201 WeakPolarHBondContact O-CA 3.42Å; E201-I203 VanDerWaalsContact C-N 3.25Å; E201-I203 WeakPolarHBondContact CB-O 3.25Å; E201-I203 PolarHBondContact O-N 3.04Å; E201-G205 WeakPolarHBondContact OE2-CA 3.39Å; E201-G205 PolarHBondContact OE2-N 3.32Å; E201-G206 VanDerWaalsContact CD-N 3.28Å; E201-G206 PolarHBondContact OE1-N 2.86Å; E201-G206 PolarHBondContact OE2-N 3.31Å; E201-A207 HydrophobicContact CG-CB 4.3Å; E201-A207 WeakPolarHBondContact OE1-CB 3.32Å; E201-A207 PolarHBondContact OE1-N 3.45Å
202L84.6Confident84.5Confident1 Ų164.2 Ų64.21%0.00534%0.343CS..SBendtrans-70.7-23.4178-71.4168.8000113.1W107 F189 I191 Y219 R222 V223 F226W107-L202 PolarHBondContact NE1-O 3.12Å; F189-L202 HydrophobicContact CB-CB 4.31Å; F189-L202 PolarHBondContact O-N 3.3Å; I191-L202 HydrophobicContact CD1-CD2 3.65Å; I191-L202 HydrophobicContact CD1-CG 4.41Å; I191-L202 HydrophobicContact CG1-CD1 4.28Å; I191-L202 HydrophobicContact CG1-CD2 3.9Å; I191-L202 HydrophobicContact CG1-CG 4.11Å; L202-Y219 HydrophobicContact CD1-CD2 3.97Å; L202-Y219 HydrophobicContact CD1-CE2 3.77Å; L202-R222 HydrophobicContact CB-CB 4.1Å; L202-R222 HydrophobicContact CD1-CB 4.31Å; L202-R222 HydrophobicContact CD2-CB 4.23Å; L202-R222 HydrophobicContact CG-CB 4.46Å; L202-V223 HydrophobicContact CD1-CG2 3.51Å; L202-F226 HydrophobicContact CD2-CB 4.37Å
203I86Confident85.1Confident27 Ų2764.2 Ų64.214%0.13834%0.339CS..SBendtrans-138.9158174.362.5179.7000107.7F189 E201 G205 G206 V209 R222F189-I203 HydrophobicContact CB-CD1 3.94Å; F189-I203 HydrophobicContact CB-CG1 3.79Å; F189-I203 HydrophobicContact CD1-CD1 3.62Å; F189-I203 HydrophobicContact CD1-CG1 3.99Å; F189-I203 HydrophobicContact CD1-CG2 4.08Å; F189-I203 HydrophobicContact CE1-CD1 4.23Å; F189-I203 HydrophobicContact CG-CD1 3.81Å; F189-I203 HydrophobicContact CG-CG1 4.15Å; E201-I203 VanDerWaalsContact C-N 3.25Å; E201-I203 WeakPolarHBondContact CB-O 3.25Å; E201-I203 PolarHBondContact O-N 3.04Å; I203-G205 PolarHBondContact O-N 2.87Å; I203-G206 WeakPolarHBondContact O-CA 3.16Å; I203-G206 PolarHBondContact O-N 3.03Å; I203-V209 HydrophobicContact CD1-CB 4.33Å; I203-V209 HydrophobicContact CD1-CG1 4.37Å; I203-V209 HydrophobicContact CD1-CG2 4.13Å; I203-R222 HydrophobicContact CG2-CG 4.34Å
204P85.6Confident86.1Confident124 Ų12471.5 Ų71.581%0.80537%0.373SS*.THydrogen-bonded Turntrans-55.2126174.2-25.134.6000112.1G206P204-G206 PolarHBondContact O-N 3.39Å
205G89.3Confident87Confident30 Ų3070.8 Ų70.831%0.30937%0.367SS..THydrogen-bonded Turntrans71.715.6-176.300000114E201 I203 A207 N208E201-G205 WeakPolarHBondContact OE2-CA 3.39Å; E201-G205 PolarHBondContact OE2-N 3.32Å; I203-G205 PolarHBondContact O-N 2.87Å; G205-A207 PolarHBondContact O-N 3.47Å; G205-N208 WeakPolarHBondContact O-CB 3.35Å; G205-N208 PolarHBondContact O-N 2.91Å
206G91.3Very high88Confident0 Ų068.1 Ų68.10%035%0.351CS..G310 helixtrans-59.6-26.8-172.200000114.8F189 E201 I203 P204 N208 V209F189-G206 PolarHBondContact N-O 3Å; F189-G206 CarbonylContact O-C 3.59Å; F189-G206 WeakPolarHBondContact O-CA 3.29Å; E201-G206 VanDerWaalsContact CD-N 3.28Å; E201-G206 PolarHBondContact OE1-N 2.86Å; E201-G206 PolarHBondContact OE2-N 3.31Å; I203-G206 WeakPolarHBondContact O-CA 3.16Å; I203-G206 PolarHBondContact O-N 3.03Å; P204-G206 PolarHBondContact O-N 3.39Å; G206-N208 PolarHBondContact O-N 3.26Å; G206-V209 PolarHBondContact O-N 3.22Å
207A90.2Very high88.8Confident37 Ų3775.5 Ų75.531%0.30638%0.376SS..G310 helixtrans-63.7-21.8174.400000112.7E201 G205E201-A207 HydrophobicContact CG-CB 4.3Å; E201-A207 WeakPolarHBondContact OE1-CB 3.32Å; E201-A207 PolarHBondContact OE1-N 3.45Å; G205-A207 PolarHBondContact O-N 3.47Å
208N94.9Very high89.5Confident145 Ų14570.2 Ų70.278%0.77535%0.354SS*.G310 helixtrans-94.5-2.7176.5-59.2-57.7000113.1G205 G206G205-N208 WeakPolarHBondContact O-CB 3.35Å; G205-N208 PolarHBondContact O-N 2.91Å; G206-N208 PolarHBondContact O-N 3.26Å
209V95.2Very high90Very high50 Ų5067.7 Ų67.730%0.30334%0.341SS..SBendtrans-103.7100.8-178.8-176.30000108.9D188 F189 I203 G206D188-V209 CarbonylContact C-O 3.3Å; D188-V209 WeakPolarHBondContact CA-O 3.48Å; D188-V209 VanDerWaalsContact CB-O 3.3Å; D188-V209 WeakPolarHBondContact CB-O 3.22Å; F189-V209 HydrophobicContact CB-CB 4.48Å; F189-V209 HydrophobicContact CD2-CB 4.13Å; F189-V209 HydrophobicContact CD2-CG1 3.76Å; F189-V209 WeakPolarHBondContact CD2-O 3.02Å; F189-V209 HydrophobicContact CE2-CG1 4.02Å; F189-V209 HydrophobicContact CG-CG1 4.43Å; F189-V209 PolarHBondContact N-O 3.48Å; F189-V209 VanDerWaalsContact N-O 3.09Å; I203-V209 HydrophobicContact CD1-CB 4.33Å; I203-V209 HydrophobicContact CD1-CG1 4.37Å; I203-V209 HydrophobicContact CD1-CG2 4.13Å; G206-V209 PolarHBondContact O-N 3.22Å
210R95.1Very high90.3Very high147 Ų14765.1 Ų65.156%0.55533%0.326SS*.BIsolated β-bridgetrans-66.6142.7176.5-69.4-65.1-176.1-158.2-4.3111.5D188 V212 N215D188-R210 IonicContact OD2-NH1 2.76Å; D188-R210 PolarHBondContact OD2-NH1 3.33Å; D188-R210 VanDerWaalsContact OD2-NH1 3.12Å; R210-V212 PolarHBondContact O-N 2.83Å; R210-N215 PolarHBondContact O-ND2 3.3Å
211V91.3Very high90.8Very high3 Ų368.5 Ų68.52%0.01834%0.342CS..  trans-77.3121.6171.4-176.80000108.9V175 F182 L187 F189 N215 R216 Y219V175-V211 HydrophobicContact CG1-CG1 4.46Å; F182-V211 WeakPolarHBondContact CB-O 3.43Å; F182-V211 HydrophobicContact CD1-CG1 4.16Å; F182-V211 HydrophobicContact CE1-CG1 4.3Å; L187-V211 HydrophobicContact CB-CB 3.82Å; L187-V211 HydrophobicContact CB-CG2 3.62Å; L187-V211 PolarHBondContact O-N 3.29Å; F189-V211 HydrophobicContact CD2-CG2 4.07Å; F189-V211 HydrophobicContact CE2-CG2 4.04Å; V211-N215 WeakPolarHBondContact CA-OD1 3.39Å; V211-R216 HydrophobicContact CG1-CB 4.25Å; V211-Y219 HydrophobicContact CG1-CD1 4.45Å; V211-Y219 HydrophobicContact CG1-CG 4.28Å; V211-Y219 HydrophobicContact CG2-CD1 4.23Å; V211-Y219 HydrophobicContact CG2-CD2 3.47Å; V211-Y219 VanDerWaalsContact CG2-CD2 3.47Å; V211-Y219 HydrophobicContact CG2-CE2 3.98Å; V211-Y219 HydrophobicContact CG2-CG 3.62Å
212V93.6Very high90.8Very high55 Ų5567.3 Ų67.333%0.33333%0.334SS..  trans-128.4174.2178.7-640000109.7R210 E214 N215 R216R210-V212 PolarHBondContact O-N 2.83Å; V212-E214 HydrophobicContact CG2-CB 4.28Å; V212-E214 VanDerWaalsContact CG2-OE2 3.27Å; V212-E214 WeakPolarHBondContact CG2-OE2 3.35Å; V212-E214 PolarHBondContact O-N 3.44Å; V212-E214 VanDerWaalsContact O-N 3.15Å; V212-N215 PolarHBondContact N-OD1 2.97Å; V212-N215 PolarHBondContact O-N 3.15Å; V212-N215 PolarHBondContact O-OD1 3.48Å; V212-N215 VanDerWaalsContact O-OD1 3.06Å; V212-R216 WeakPolarHBondContact O-CB 3.39Å; V212-R216 PolarHBondContact O-N 3.46Å
213K93.8Very high90.8Very high100 Ų10067.6 Ų67.644%0.43534%0.336SS..THydrogen-bonded Turntrans-57.3-34.4-176.8-176.8163.6178.4159.60112.5E179 F182 R216E179-K213 IonicContact OE2-NZ 3.93Å; E179-K213 PolarHBondContact OE2-NZ 2.9Å; F182-K213 HydrophobicContact CD2-CB 4.11Å; F182-K213 HydrophobicContact CE2-CB 3.78Å; F182-K213 HydrophobicContact CE2-CG 4.32Å; F182-K213 HydrophobicContact CZ-CB 4.36Å; K213-R216 WeakPolarHBondContact O-CD 3.23Å; K213-R216 WeakPolarHBondContact O-CG 3.48Å
214E95.1Very high90.7Very high159 Ų15968.2 Ų68.274%0.74335%0.345SS*.THydrogen-bonded Turntrans-74.3-39.6-175.1-62.766.2-142.600112.2V212V212-E214 HydrophobicContact CG2-CB 4.28Å; V212-E214 VanDerWaalsContact CG2-OE2 3.27Å; V212-E214 WeakPolarHBondContact CG2-OE2 3.35Å; V212-E214 PolarHBondContact O-N 3.44Å; V212-E214 VanDerWaalsContact O-N 3.15Å
215N94.7Very high90.7Very high30 Ų3064.8 Ų64.816%0.1632%0.318CS..THydrogen-bonded Turntrans-102.3-1.8-176.870.87.3000114F189 R210 V211 V212 R217 E218 Y219F189-N215 HydrophobicContact CE2-CB 4.22Å; F189-N215 WeakPolarHBondContact CE2-ND2 3.25Å; F189-N215 HydrophobicContact CZ-CB 4.02Å; R210-N215 PolarHBondContact O-ND2 3.3Å; V211-N215 WeakPolarHBondContact CA-OD1 3.39Å; V212-N215 PolarHBondContact N-OD1 2.97Å; V212-N215 PolarHBondContact O-N 3.15Å; V212-N215 PolarHBondContact O-OD1 3.48Å; V212-N215 VanDerWaalsContact O-OD1 3.06Å; N215-R217 PolarHBondContact O-N 3.08Å; N215-R217 VanDerWaalsContact O-N 3.09Å; N215-E218 WeakPolarHBondContact O-CB 3.44Å; N215-E218 PolarHBondContact O-N 2.76Å; N215-Y219 PolarHBondContact O-N 3.11Å
216R91.5Very high90.5Very high28 Ų2863.4 Ų63.411%0.10630%0.304CS..Hα-helixtrans-53.3-34-178.773.7-171.7179.8-171.63114.4V175 A176 Y178 E179 F182 V211 V212 K213 V220V175-R216 HydrophobicContact CG1-CB 4.45Å; A176-R216 PolarHBondContact O-NE 3.39Å; Y178-R216 PolarHBondContact O-NH1 3.09Å; E179-R216 IonicContact OE1-CZ 2.74Å; E179-R216 IonicContact OE1-NH1 3.7Å; E179-R216 PolarHBondContact OE1-NH1 2.93Å; E179-R216 IonicContact OE1-NH2 3.37Å; E179-R216 PolarHBondContact OE1-NH2 3.25Å; F182-R216 HydrophobicContact CE1-CB 3.82Å; F182-R216 HydrophobicContact CZ-CB 4.2Å; F182-R216 VanDerWaalsContact CZ-CD 3.44Å; F182-R216 HydrophobicContact CZ-CG 4.44Å; V211-R216 HydrophobicContact CG1-CB 4.25Å; V212-R216 WeakPolarHBondContact O-CB 3.39Å; V212-R216 PolarHBondContact O-N 3.46Å; K213-R216 WeakPolarHBondContact O-CD 3.23Å; K213-R216 WeakPolarHBondContact O-CG 3.48Å; R216-V220 WeakPolarHBondContact O-CB 3.23Å; R216-V220 VanDerWaalsContact O-CG2 3.25Å; R216-V220 WeakPolarHBondContact O-CG2 3.49Å; R216-V220 PolarHBondContact O-N 3.3Å
217R91.5Very high90.1Very high199 Ų19964.7 Ų64.775%0.75131%0.31SS*.Hα-helixtrans-68.4-42.3178.6-72.6-176.3176.3162.2-0.3111.4N215 V220 Q221N215-R217 PolarHBondContact O-N 3.08Å; N215-R217 VanDerWaalsContact O-N 3.09Å; R217-V220 PolarHBondContact O-N 2.77Å; R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 2.91Å
218E92.1Very high90Very high74 Ų7467.5 Ų67.535%0.34632%0.316SS..Hα-helixtrans-64.8-47.4176-170.7-175.8177.800110.1F189 N215 V220 Q221 R222F189-E218 HydrophobicContact CE1-CB 4.13Å; F189-E218 HydrophobicContact CE1-CG 3.93Å; F189-E218 HydrophobicContact CZ-CB 4.18Å; F189-E218 HydrophobicContact CZ-CG 4.44Å; N215-E218 WeakPolarHBondContact O-CB 3.44Å; N215-E218 PolarHBondContact O-N 2.76Å; E218-V220 VanDerWaalsContact C-N 3.32Å; E218-V220 PolarHBondContact O-N 2.91Å; E218-Q221 WeakPolarHBondContact O-CB 3.17Å; E218-Q221 PolarHBondContact O-N 3.12Å; E218-Q221 VanDerWaalsContact O-N 3.09Å; E218-R222 HydrophobicContact CG-CG 4.24Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 3.19Å; E218-R222 IonicContact OE1-CZ 3.96Å; E218-R222 IonicContact OE1-NE 3.12Å; E218-R222 PolarHBondContact OE1-NE 3.33Å; E218-R222 IonicContact OE1-NH2 3.51Å; E218-R222 PolarHBondContact OE1-NH2 3.26Å
219Y89.9Confident89.7Confident23 Ų2361.1 Ų61.19%0.0928%0.282CS..Hα-helixtrans-52.8-51.1175.4174.8-97.4000111.7V175 L187 D188 F189 L202 V211 N215 Q221 R222 V223V175-Y219 HydrophobicContact CG1-CD1 4.08Å; V175-Y219 HydrophobicContact CG1-CE1 4.43Å; V175-Y219 HydrophobicContact CG2-CE1 4.45Å; L187-Y219 HydrophobicContact CD1-CE1 4Å; D188-Y219 WeakPolarHBondContact O-CE2 3.47Å; F189-Y219 HydrophobicContact CD1-CD2 4.49Å; F189-Y219 HydrophobicContact CD2-CD2 4.26Å; F189-Y219 HydrophobicContact CE2-CD2 4.46Å; F189-Y219 HydrophobicContact CG-CD2 4.28Å; L202-Y219 HydrophobicContact CD1-CD2 3.97Å; L202-Y219 HydrophobicContact CD1-CE2 3.77Å; V211-Y219 HydrophobicContact CG1-CD1 4.45Å; V211-Y219 HydrophobicContact CG1-CG 4.28Å; V211-Y219 HydrophobicContact CG2-CD1 4.23Å; V211-Y219 HydrophobicContact CG2-CD2 3.47Å; V211-Y219 VanDerWaalsContact CG2-CD2 3.47Å; V211-Y219 HydrophobicContact CG2-CE2 3.98Å; V211-Y219 HydrophobicContact CG2-CG 3.62Å; N215-Y219 PolarHBondContact O-N 3.11Å; Y219-Q221 VanDerWaalsContact C-N 3.3Å; Y219-Q221 PolarHBondContact O-N 3.16Å; Y219-R222 PolarHBondContact O-N 3.44Å; Y219-V223 HydrophobicContact CD1-CG2 4.4Å; Y219-V223 HydrophobicContact CD2-CG2 4.39Å; Y219-V223 HydrophobicContact CE1-CG2 3.98Å; Y219-V223 HydrophobicContact CE2-CG2 3.95Å; Y219-V223 WeakPolarHBondContact O-CG2 2.93Å; Y219-V223 PolarHBondContact O-N 2.89Å
220V87.5Confident89.4Confident25 Ų2558.7 Ų58.715%0.15227%0.268CS..Hα-helixtrans-59.5-42.1178.7165.30000111.6L172 V175 A176 R216 R217 E218 A224L172-V220 HydrophobicContact CB-CG1 4.13Å; L172-V220 HydrophobicContact CD2-CB 4.44Å; L172-V220 HydrophobicContact CD2-CG1 4.29Å; L172-V220 HydrophobicContact CD2-CG2 4.32Å; V175-V220 HydrophobicContact CB-CG2 3.88Å; V175-V220 HydrophobicContact CG1-CG2 3.98Å; A176-V220 HydrophobicContact CB-CG2 4.2Å; R216-V220 WeakPolarHBondContact O-CB 3.23Å; R216-V220 VanDerWaalsContact O-CG2 3.25Å; R216-V220 WeakPolarHBondContact O-CG2 3.49Å; R216-V220 PolarHBondContact O-N 3.3Å; R217-V220 PolarHBondContact O-N 2.77Å; E218-V220 VanDerWaalsContact C-N 3.32Å; E218-V220 PolarHBondContact O-N 2.91Å; V220-A224 WeakPolarHBondContact O-CB 3.12Å; V220-A224 PolarHBondContact O-N 3.48Å
221Q87.6Confident89.2Confident107 Ų10753.1 Ų53.150%0.525%0.253SS..Hα-helixtrans-63.3-49.8177.5177.8178.9-9.200111.5R217 E218 Y219 V223 A224 E225R217-Q221 WeakPolarHBondContact O-CB 3.48Å; R217-Q221 PolarHBondContact O-N 2.91Å; E218-Q221 WeakPolarHBondContact O-CB 3.17Å; E218-Q221 PolarHBondContact O-N 3.12Å; E218-Q221 VanDerWaalsContact O-N 3.09Å; Y219-Q221 VanDerWaalsContact C-N 3.3Å; Y219-Q221 PolarHBondContact O-N 3.16Å; Q221-V223 VanDerWaalsContact C-N 3.33Å; Q221-V223 PolarHBondContact O-N 3.43Å; Q221-A224 WeakPolarHBondContact O-CB 3.41Å; Q221-A224 PolarHBondContact O-N 3.25Å; Q221-A224 VanDerWaalsContact O-N 3.1Å; Q221-E225 HydrophobicContact CG-CG 4.37Å; Q221-E225 VanDerWaalsContact CG-OE1 3.23Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.48Å; Q221-E225 PolarHBondContact NE2-OE1 3.28Å; Q221-E225 WeakPolarHBondContact O-CG 3.41Å; Q221-E225 PolarHBondContact O-N 3.28Å
222R86.4Confident89.2Confident49 Ų4953 Ų5319%0.18525%0.252CS..Hα-helixtrans-61.1-41.3-179.7-61.2-52-176.1144.68.4112.2A108 L202 I203 E218 Y219 E225 F226A108-R222 PolarHBondContact O-NH1 2.86Å; L202-R222 HydrophobicContact CB-CB 4.1Å; L202-R222 HydrophobicContact CD1-CB 4.31Å; L202-R222 HydrophobicContact CD2-CB 4.23Å; L202-R222 HydrophobicContact CG-CB 4.46Å; I203-R222 HydrophobicContact CG2-CG 4.34Å; E218-R222 HydrophobicContact CG-CG 4.24Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 3.19Å; E218-R222 IonicContact OE1-CZ 3.96Å; E218-R222 IonicContact OE1-NE 3.12Å; E218-R222 PolarHBondContact OE1-NE 3.33Å; E218-R222 IonicContact OE1-NH2 3.51Å; E218-R222 PolarHBondContact OE1-NH2 3.26Å; Y219-R222 PolarHBondContact O-N 3.44Å; R222-E225 PolarHBondContact O-N 3.36Å; R222-F226 WeakPolarHBondContact O-CB 3.36Å; R222-F226 PolarHBondContact O-N 3.03Å
223V84.8Confident89.2Confident8 Ų850.3 Ų50.35%0.04824%0.236CC..Hα-helixtrans-64.5-43.7175179.20000110.4L172 L202 Y219 Q221 E225 F226 F227L172-V223 HydrophobicContact CD1-CG1 4.22Å; L172-V223 HydrophobicContact CD2-CB 3.73Å; L172-V223 HydrophobicContact CD2-CG1 3.66Å; L172-V223 HydrophobicContact CD2-CG2 4.44Å; L172-V223 HydrophobicContact CG-CG1 4.37Å; L202-V223 HydrophobicContact CD1-CG2 3.51Å; Y219-V223 HydrophobicContact CD1-CG2 4.4Å; Y219-V223 HydrophobicContact CD2-CG2 4.39Å; Y219-V223 HydrophobicContact CE1-CG2 3.98Å; Y219-V223 HydrophobicContact CE2-CG2 3.95Å; Y219-V223 WeakPolarHBondContact O-CG2 2.93Å; Y219-V223 PolarHBondContact O-N 2.89Å; Q221-V223 VanDerWaalsContact C-N 3.33Å; Q221-V223 PolarHBondContact O-N 3.43Å; V223-E225 PolarHBondContact O-N 2.81Å; V223-F226 WeakPolarHBondContact O-CB 3.38Å; V223-F226 PolarHBondContact O-N 2.7Å; V223-F227 HydrophobicContact CG1-CD2 3.63Å; V223-F227 HydrophobicContact CG1-CE2 3.62Å; V223-F227 WeakPolarHBondContact O-CD2 3.38Å; V223-F227 PolarHBondContact O-N 3.22Å; V223-F227 VanDerWaalsContact O-N 3.09Å
224A84Confident89.1Confident40 Ų4046.9 Ų46.933%0.33122%0.22SC..Hα-helixtrans-60.6-46.3177.400000112.1L172 V220 Q221 F227 Q228L172-A224 HydrophobicContact CD1-CB 4.1Å; V220-A224 WeakPolarHBondContact O-CB 3.12Å; V220-A224 PolarHBondContact O-N 3.48Å; Q221-A224 WeakPolarHBondContact O-CB 3.41Å; Q221-A224 PolarHBondContact O-N 3.25Å; Q221-A224 VanDerWaalsContact O-N 3.1Å; A224-F227 PolarHBondContact O-N 3.08Å; A224-Q228 WeakPolarHBondContact O-CB 3.3Å; A224-Q228 PolarHBondContact O-N 2.82Å
225E85.2Confident89Confident51 Ų5143.3 Ų43.324%0.23820%0.2CC..Hα-helixtrans-59.9-46.7176.7-72.9165.617600111.2Q221 R222 V223 F227 Q228 L229Q221-E225 HydrophobicContact CG-CG 4.37Å; Q221-E225 VanDerWaalsContact CG-OE1 3.23Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.48Å; Q221-E225 PolarHBondContact NE2-OE1 3.28Å; Q221-E225 WeakPolarHBondContact O-CG 3.41Å; Q221-E225 PolarHBondContact O-N 3.28Å; R222-E225 PolarHBondContact O-N 3.36Å; V223-E225 PolarHBondContact O-N 2.81Å; E225-F227 PolarHBondContact O-N 3.24Å; E225-Q228 PolarHBondContact O-N 3.03Å; E225-L229 WeakPolarHBondContact O-CG 3.32Å; E225-L229 PolarHBondContact O-N 3.08Å
226F84.5Confident88.9Confident2 Ų241.9 Ų41.91%0.00919%0.192CC..Hα-helixtrans-51.7-53.1174.6174-99.6000112W107 F144 F159 I191 L202 R222 V223 Q228 L229 I230W107-F226 AromaticContact CD2-CD2 3.79Å; W107-F226 HydrophobicContact CD2-CD2 3.79Å; W107-F226 AromaticContact CE3-CD2 3.36Å; W107-F226 HydrophobicContact CE3-CD2 3.36Å; W107-F226 AromaticContact CE3-CE2 3.88Å; W107-F226 HydrophobicContact CE3-CE2 3.88Å; W107-F226 HydrophobicContact CE3-CG 4.48Å; W107-F226 HydrophobicContact CG-CB 4.44Å; W107-F226 AromaticContact CH2-CD2 3.95Å; W107-F226 HydrophobicContact CH2-CD2 3.95Å; W107-F226 AromaticContact CH2-CE2 3.86Å; W107-F226 HydrophobicContact CH2-CE2 3.86Å; W107-F226 HydrophobicContact CZ2-CD2 4.36Å; W107-F226 AromaticContact CZ3-CD2 3.41Å; W107-F226 HydrophobicContact CZ3-CD2 3.41Å; W107-F226 VanDerWaalsContact CZ3-CD2 3.41Å; W107-F226 AromaticContact CZ3-CE2 3.42Å; W107-F226 HydrophobicContact CZ3-CE2 3.42Å; W107-F226 VanDerWaalsContact CZ3-CE2 3.42Å; F144-F226 HydrophobicContact CE2-CE2 4.21Å; F144-F226 HydrophobicContact CE2-CZ 4.36Å; F159-F226 HydrophobicContact CE2-CE1 4.5Å; I191-F226 HydrophobicContact CD1-CB 4.31Å; I191-F226 HydrophobicContact CD1-CD1 3.27Å; I191-F226 HydrophobicContact CD1-CD2 4.1Å; I191-F226 HydrophobicContact CD1-CE1 3.42Å; I191-F226 VanDerWaalsContact CD1-CE1 3.42Å; I191-F226 HydrophobicContact CD1-CE2 4.24Å; I191-F226 HydrophobicContact CD1-CG 3.64Å; I191-F226 HydrophobicContact CD1-CZ 3.92Å; L202-F226 HydrophobicContact CD2-CB 4.37Å; R222-F226 WeakPolarHBondContact O-CB 3.36Å; R222-F226 PolarHBondContact O-N 3.03Å; V223-F226 WeakPolarHBondContact O-CB 3.38Å; V223-F226 PolarHBondContact O-N 2.7Å; F226-Q228 PolarHBondContact O-N 3.2Å; F226-L229 PolarHBondContact O-N 2.85Å; F226-I230 HydrophobicContact CD1-CD1 3.58Å; F226-I230 HydrophobicContact CD2-CD1 4.3Å; F226-I230 HydrophobicContact CE1-CD1 3.16Å; F226-I230 HydrophobicContact CE2-CD1 3.95Å; F226-I230 HydrophobicContact CG-CD1 4.15Å; F226-I230 HydrophobicContact CZ-CD1 3.38Å; F226-I230 PolarHBondContact O-N 3.23Å
227F83.8Confident89Confident27 Ų2740.6 Ų40.612%0.11819%0.187CC..Hα-helixtrans-69.3-32.2-178.9-82.1-72.9000113.5V157 F159 V223 A224 E225 I230 A231V157-F227 HydrophobicContact CG1-CD2 3.77Å; V157-F227 HydrophobicContact CG1-CE1 4.27Å; V157-F227 HydrophobicContact CG1-CE2 3.46Å; V157-F227 VanDerWaalsContact CG1-CE2 3.46Å; V157-F227 HydrophobicContact CG1-CG 4.37Å; V157-F227 HydrophobicContact CG1-CZ 3.75Å; V157-F227 HydrophobicContact CG2-CD2 4.27Å; V157-F227 HydrophobicContact CG2-CG 4.33Å; F159-F227 AromaticContact CD2-CE1 3.23Å; F159-F227 HydrophobicContact CD2-CE1 3.23Å; F159-F227 AromaticContact CD2-CZ 3.29Å; F159-F227 HydrophobicContact CD2-CZ 3.29Å; F159-F227 HydrophobicContact CE2-CD1 4.35Å; F159-F227 AromaticContact CE2-CE1 3.2Å; F159-F227 HydrophobicContact CE2-CE1 3.2Å; F159-F227 AromaticContact CE2-CZ 3.46Å; F159-F227 HydrophobicContact CE2-CZ 3.46Å; F159-F227 VanDerWaalsContact CE2-CZ 3.46Å; F159-F227 HydrophobicContact CG-CZ 4.5Å; V223-F227 HydrophobicContact CG1-CD2 3.63Å; V223-F227 HydrophobicContact CG1-CE2 3.62Å; V223-F227 WeakPolarHBondContact O-CD2 3.38Å; V223-F227 PolarHBondContact O-N 3.22Å; V223-F227 VanDerWaalsContact O-N 3.09Å; A224-F227 PolarHBondContact O-N 3.08Å; E225-F227 PolarHBondContact O-N 3.24Å; F227-I230 HydrophobicContact CD1-CD1 4.45Å; F227-I230 PolarHBondContact O-N 2.96Å; F227-A231 VanDerWaalsContact O-CB 3.3Å; F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 2.74Å
228Q86.7Confident89.1Confident96 Ų9633.2 Ų33.245%0.44916%0.164SC..Hα-helixtrans-63.5-43176-175.11752.500111.2E117 A224 E225 F226 A231 A232E117-Q228 HydrophobicContact CG-CG 4.23Å; E117-Q228 PolarHBondContact OE2-NE2 3.36Å; A224-Q228 WeakPolarHBondContact O-CB 3.3Å; A224-Q228 PolarHBondContact O-N 2.82Å; E225-Q228 PolarHBondContact O-N 3.03Å; F226-Q228 PolarHBondContact O-N 3.2Å; Q228-A231 PolarHBondContact O-N 3.45Å; Q228-A232 WeakPolarHBondContact O-CB 2.99Å; Q228-A232 PolarHBondContact O-N 2.58Å
229L90Very high89.1Confident10 Ų1032.2 Ų32.25%0.05216%0.16CC..Hα-helixtrans-67.4-40177.6-61.5-172.6000112.4P105 W107 T116 E225 F226 A232 F233P105-L229 HydrophobicContact CB-CB 4.15Å; P105-L229 HydrophobicContact CB-CD1 4.01Å; W107-L229 HydrophobicContact CB-CD1 4.19Å; T116-L229 HydrophobicContact CG2-CD1 3.8Å; T116-L229 HydrophobicContact CG2-CD2 3.53Å; T116-L229 HydrophobicContact CG2-CG 4.32Å; E225-L229 WeakPolarHBondContact O-CG 3.32Å; E225-L229 PolarHBondContact O-N 3.08Å; F226-L229 PolarHBondContact O-N 2.85Å; L229-A232 PolarHBondContact O-N 2.85Å; L229-F233 PolarHBondContact O-N 3.03Å
230I89.3Confident89.3Confident0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-60.7-47.2172.9-70.5157.2000110.9Y145 A148 I149 S152 F226 F227 A232 F233 R234Y145-I230 HydrophobicContact CD2-CG1 3.92Å; Y145-I230 HydrophobicContact CE2-CG1 3.77Å; A148-I230 HydrophobicContact CB-CD1 3.44Å; A148-I230 VanDerWaalsContact CB-CD1 3.44Å; A148-I230 HydrophobicContact CB-CG1 3.94Å; A148-I230 HydrophobicContact CB-CG2 3.86Å; I149-I230 HydrophobicContact CG1-CG2 4.24Å; S152-I230 WeakPolarHBondContact OG-CG2 3.42Å; F226-I230 HydrophobicContact CD1-CD1 3.58Å; F226-I230 HydrophobicContact CD2-CD1 4.3Å; F226-I230 HydrophobicContact CE1-CD1 3.16Å; F226-I230 HydrophobicContact CE2-CD1 3.95Å; F226-I230 HydrophobicContact CG-CD1 4.15Å; F226-I230 HydrophobicContact CZ-CD1 3.38Å; F226-I230 PolarHBondContact O-N 3.23Å; F227-I230 HydrophobicContact CD1-CD1 4.45Å; F227-I230 PolarHBondContact O-N 2.96Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.89Å; I230-F233 PolarHBondContact O-N 3.39Å; I230-R234 VanDerWaalsContact O-CB 3.23Å; I230-R234 WeakPolarHBondContact O-CB 3.41Å; I230-R234 PolarHBondContact O-N 2.76Å
231A89.5Confident89.5Confident29 Ų2931.2 Ų31.224%0.2416%0.155CC..Hα-helixtrans-62.2-39.4-18000000111.6T154 F227 Q228 R235T154-A231 HydrophobicContact CG2-CB 4.26Å; F227-A231 VanDerWaalsContact O-CB 3.3Å; F227-A231 WeakPolarHBondContact O-CB 3.36Å; F227-A231 PolarHBondContact O-N 2.74Å; Q228-A231 PolarHBondContact O-N 3.45Å; A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 PolarHBondContact O-N 2.86Å
232A91.3Very high89.8Confident0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-63-52.2176.200000112E117 H120 Y121 Q228 L229 I230 R234 R235 G236E117-A232 HydrophobicContact CB-CB 4.46Å; E117-A232 HydrophobicContact CG-CB 3.39Å; E117-A232 WeakPolarHBondContact O-CB 3.24Å; H120-A232 HydrophobicContact CB-CB 4.05Å; Y121-A232 VanDerWaalsContact CA-O 3.22Å; Y121-A232 WeakPolarHBondContact CA-O 3.32Å; Q228-A232 WeakPolarHBondContact O-CB 2.99Å; Q228-A232 PolarHBondContact O-N 2.58Å; L229-A232 PolarHBondContact O-N 2.85Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.89Å; A232-R234 PolarHBondContact O-N 2.93Å; A232-R235 WeakPolarHBondContact O-CB 3.41Å; A232-R235 PolarHBondContact O-N 3.1Å; A232-G236 PolarHBondContact O-N 3.37Å; A232-G236 VanDerWaalsContact O-N 3.08Å
233F93.7Very high90.1Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-59.7-46.5176.9-171.5-83.3000111.9F87 H120 F123 G124 V127 F141 Y145 I149 L229 I230 R235 G236 L237F87-F233 HydrophobicContact CZ-CE2 4.42Å; H120-F233 HydrophobicContact CB-CB 4.32Å; H120-F233 VanDerWaalsContact O-CA 3.29Å; H120-F233 WeakPolarHBondContact O-CA 3.17Å; H120-F233 WeakPolarHBondContact O-CD2 3.18Å; F123-F233 HydrophobicContact CB-CD2 4.16Å; F123-F233 HydrophobicContact CB-CE2 3.92Å; G124-F233 WeakPolarHBondContact CA-O 3.16Å; V127-F233 HydrophobicContact CB-CZ 4.13Å; V127-F233 HydrophobicContact CG1-CZ 4.42Å; V127-F233 HydrophobicContact CG2-CE2 4.41Å; V127-F233 HydrophobicContact CG2-CZ 3.98Å; F141-F233 HydrophobicContact CE1-CZ 4.43Å; F141-F233 HydrophobicContact CE2-CZ 4.26Å; F141-F233 HydrophobicContact CZ-CE2 4.24Å; F141-F233 AromaticContact CZ-CZ 3.89Å; F141-F233 HydrophobicContact CZ-CZ 3.89Å; Y145-F233 WeakPolarHBondContact OH-CB 3.29Å; Y145-F233 WeakPolarHBondContact OH-CD1 3.33Å; Y145-F233 VanDerWaalsContact OH-CD2 3.24Å; Y145-F233 WeakPolarHBondContact OH-CD2 3.21Å; Y145-F233 WeakPolarHBondContact OH-CG 3.47Å; I149-F233 HydrophobicContact CD1-CD1 3.53Å; I149-F233 HydrophobicContact CD1-CE1 3.73Å; I149-F233 HydrophobicContact CD1-CG 4.5Å; I149-F233 HydrophobicContact CG1-CD1 4.19Å; L229-F233 PolarHBondContact O-N 3.03Å; I230-F233 PolarHBondContact O-N 3.39Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.89Å; F233-G236 PolarHBondContact O-N 3.22Å; F233-G236 VanDerWaalsContact O-N 3.15Å; F233-L237 HydrophobicContact CE1-CD2 4.36Å; F233-L237 WeakPolarHBondContact O-CB 3.37Å; F233-L237 PolarHBondContact O-N 3.45Å
234R93.4Very high90.4Very high28 Ų2836.7 Ų36.711%0.10619%0.186CC..Hα-helixtrans-57.5-44.1176.2-178.7-176.2176.3153.2-19.3111.7I149 S152 I230 A232 G236 L237 T238 F243I149-R234 HydrophobicContact CG2-CB 4.21Å; I149-R234 HydrophobicContact CG2-CG 4.24Å; I149-R234 WeakPolarHBondContact O-CD 3.23Å; I149-R234 PolarHBondContact O-NE 3.46Å; I149-R234 PolarHBondContact O-NH1 3.18Å; S152-R234 PolarHBondContact O-NH1 3.39Å; I230-R234 VanDerWaalsContact O-CB 3.23Å; I230-R234 WeakPolarHBondContact O-CB 3.41Å; I230-R234 PolarHBondContact O-N 2.76Å; A232-R234 PolarHBondContact O-N 2.93Å; R234-G236 VanDerWaalsContact C-N 3.32Å; R234-G236 PolarHBondContact O-N 2.73Å; R234-L237 PolarHBondContact O-N 2.85Å; R234-T238 HydrophobicContact CG-CG2 4.05Å; R234-T238 WeakPolarHBondContact O-CB 3.31Å; R234-T238 VanDerWaalsContact O-CG2 3.31Å; R234-T238 WeakPolarHBondContact O-CG2 3.35Å; R234-T238 PolarHBondContact O-N 3.41Å; R234-T238 PolarHBondContact O-OG1 2.95Å; R234-F243 VanDerWaalsContact CZ-CE2 3.4Å
235R91.9Very high90.8Very high83 Ų8342.6 Ų42.631%0.31320%0.2SC..Hα-helixtrans-57.2-46.5176.5172.9174.945.2103.1-12.7110.7E117 E118 Y121 A231 A232 F233 T238 E239E117-R235 IonicContact OE1-CZ 2.96Å; E117-R235 IonicContact OE1-NH2 3.45Å; E117-R235 PolarHBondContact OE1-NH2 3.37Å; E118-R235 IonicContact OE1-NH1 2.95Å; E118-R235 IonicContact OE1-NH2 3.64Å; Y121-R235 HydrophobicContact CD2-CB 4.18Å; Y121-R235 HydrophobicContact CD2-CG 3.82Å; Y121-R235 HydrophobicContact CE2-CG 3.79Å; A231-R235 WeakPolarHBondContact O-CB 3.45Å; A231-R235 PolarHBondContact O-N 2.86Å; A232-R235 WeakPolarHBondContact O-CB 3.41Å; A232-R235 PolarHBondContact O-N 3.1Å; F233-R235 VanDerWaalsContact C-N 3.32Å; F233-R235 PolarHBondContact O-N 2.89Å; R235-T238 PolarHBondContact O-N 3.41Å; R235-T238 PolarHBondContact O-OG1 3.41Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 2.87Å; R235-E239 VanDerWaalsContact O-N 3.11Å
236G92.6Very high91.2Very high0 Ų040.4 Ų40.40%019%0.189CC..Hα-helixtrans-63.5-45176.700000113.2Y121 G124 R125 A232 F233 R234Y121-G236 VanDerWaalsContact CD2-CA 3.49Å; Y121-G236 WeakPolarHBondContact O-CA 3.4Å; G124-G236 CarbonylContact O-C 3.47Å; R125-G236 WeakPolarHBondContact CA-O 3.44Å; R125-G236 WeakPolarHBondContact CG-O 3.25Å; A232-G236 PolarHBondContact O-N 3.37Å; A232-G236 VanDerWaalsContact O-N 3.08Å; F233-G236 PolarHBondContact O-N 3.22Å; F233-G236 VanDerWaalsContact O-N 3.15Å; R234-G236 VanDerWaalsContact C-N 3.32Å; R234-G236 PolarHBondContact O-N 2.73Å
237L94.5Very high91.5Very high1 Ų143.2 Ų43.21%0.00521%0.209CC..Hα-helixtrans-62.3-45178.817961.3000111.6G124 V127 I131 I149 F233 R234 E239 M240 I241 L246G124-L237 VanDerWaalsContact C-N 3.29Å; G124-L237 VanDerWaalsContact O-CA 3.23Å; G124-L237 WeakPolarHBondContact O-CA 3.43Å; G124-L237 PolarHBondContact O-N 2.73Å; V127-L237 HydrophobicContact CG1-CD1 4.34Å; I131-L237 HydrophobicContact CD1-CD1 3.93Å; I149-L237 HydrophobicContact CG2-CD2 3.93Å; F233-L237 HydrophobicContact CE1-CD2 4.36Å; F233-L237 WeakPolarHBondContact O-CB 3.37Å; F233-L237 PolarHBondContact O-N 3.45Å; R234-L237 PolarHBondContact O-N 2.85Å; L237-E239 PolarHBondContact O-N 3.19Å; L237-M240 PolarHBondContact O-N 3.17Å; L237-M240 VanDerWaalsContact O-N 3.16Å; L237-I241 PolarHBondContact O-N 2.97Å; L237-L246 HydrophobicContact CD2-CD1 3.98Å; L237-L246 HydrophobicContact CD2-CD2 4.49Å; L237-L246 HydrophobicContact CG-CD1 3.8Å
238T93.5Very high91.9Very high44 Ų4447.3 Ų47.327%0.2723%0.23SC..Hα-helixtrans-76.6-18.5-175.454.70000114.4R234 R235 M240 I241 F243 L246R234-T238 HydrophobicContact CG-CG2 4.05Å; R234-T238 WeakPolarHBondContact O-CB 3.31Å; R234-T238 VanDerWaalsContact O-CG2 3.31Å; R234-T238 WeakPolarHBondContact O-CG2 3.35Å; R234-T238 PolarHBondContact O-N 3.41Å; R234-T238 PolarHBondContact O-OG1 2.95Å; R235-T238 PolarHBondContact O-N 3.41Å; R235-T238 PolarHBondContact O-OG1 3.41Å; T238-M240 VanDerWaalsContact C-N 3.26Å; T238-I241 CarbonylContact C-O 3.56Å; T238-I241 VanDerWaalsContact CA-O 3.23Å; T238-I241 WeakPolarHBondContact CA-O 3.49Å; T238-F243 HydrophobicContact CG2-CB 3.91Å; T238-F243 HydrophobicContact CG2-CD2 3.9Å; T238-F243 HydrophobicContact CG2-CG 4.37Å; T238-L246 HydrophobicContact CG2-CD1 3.9Å
239E92Very high92.2Very high54 Ų5446.2 Ų46.225%0.25222%0.224SC..Hα-helixtrans-64.4-34.9166.8-84.2-177.5-159.700111.7A47 K51 Y121 R125 R235 L237A47-E239 HydrophobicContact CB-CB 4Å; A47-E239 HydrophobicContact CB-CG 4.21Å; K51-E239 WeakPolarHBondContact CE-O 3.35Å; K51-E239 PolarHBondContact NZ-O 3.13Å; Y121-E239 VanDerWaalsContact CE2-OE1 3.25Å; Y121-E239 WeakPolarHBondContact CE2-OE1 3.44Å; Y121-E239 PolarHBondContact OH-OE1 3.16Å; Y121-E239 PolarHBondContact OH-OE2 2.72Å; R125-E239 WeakPolarHBondContact CD-OE2 3.25Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 2.87Å; R235-E239 VanDerWaalsContact O-N 3.11Å; L237-E239 PolarHBondContact O-N 3.19Å
240M92.5Very high92.2Very high3 Ų347.7 Ų47.72%0.01524%0.235CC..Hα-helixtrans-85.8-52.8-178.4-62.5-53.3-6500111.9F50 K51 R125 G128 K129 L237 T238F50-M240 HydrophobicContact CB-SD 4.26Å; F50-M240 HydrophobicContact CD1-CE 3.92Å; F50-M240 HydrophobicContact CD1-SD 3.67Å; F50-M240 HydrophobicContact CG-SD 4.43Å; K51-M240 HydrophobicContact CB-CE 4.3Å; K51-M240 WeakPolarHBondContact CE-O 3.16Å; K51-M240 HydrophobicContact CG-CE 3.49Å; K51-M240 VanDerWaalsContact CG-CE 3.49Å; K51-M240 HydrophobicContact CG-SD 3.88Å; K51-M240 PolarHBondContact NZ-O 3.31Å; K51-M240 VanDerWaalsContact NZ-O 3.12Å; R125-M240 WeakPolarHBondContact O-CG 3.43Å; G128-M240 VanDerWaalsContact C-CB 3.47Å; K129-M240 HydrophobicContact CB-CE 3.92Å; K129-M240 HydrophobicContact CD-CE 3.66Å; K129-M240 HydrophobicContact CG-CE 4.4Å; L237-M240 PolarHBondContact O-N 3.17Å; L237-M240 VanDerWaalsContact O-N 3.16Å; T238-M240 VanDerWaalsContact C-N 3.26Å
241I93.6Very high92.3Very high24 Ų2448.1 Ų48.112%0.12324%0.238CC..SBendtrans-113.1124.3-178.3-50.9-58.5000108.8I131 Y132 L237 T238 F243 W245 L246I131-I241 HydrophobicContact CB-CD1 4.16Å; I131-I241 HydrophobicContact CB-CG1 4.1Å; I131-I241 HydrophobicContact CG2-CD1 3.84Å; I131-I241 HydrophobicContact CG2-CG1 3.92Å; Y132-I241 HydrophobicContact CD2-CD1 4.21Å; L237-I241 PolarHBondContact O-N 2.97Å; T238-I241 CarbonylContact C-O 3.56Å; T238-I241 VanDerWaalsContact CA-O 3.23Å; T238-I241 WeakPolarHBondContact CA-O 3.49Å; I241-F243 PolarHBondContact O-N 3.12Å; I241-W245 HydrophobicContact CG2-CB 4.36Å; I241-L246 HydrophobicContact CB-CD1 4.2Å; I241-L246 HydrophobicContact CB-CD2 4.14Å; I241-L246 HydrophobicContact CB-CG 4.16Å; I241-L246 HydrophobicContact CG2-CD1 4.37Å; I241-L246 HydrophobicContact CG2-CD2 3.79Å; I241-L246 HydrophobicContact CG2-CG 3.79Å
242S92.9Very high92.4Very high64 Ų6449.1 Ų49.145%0.44825%0.246SC..  trans-58.9134-179.6157.20000111K244 W245 L246S242-K244 PolarHBondContact O-N 2.82Å; S242-K244 VanDerWaalsContact O-N 3.09Å; S242-K244 PolarHBondContact OG-N 3.09Å; S242-W245 PolarHBondContact O-N 3.16Å; S242-L246 PolarHBondContact O-N 2.82Å
243F91.7Very high92.5Very high68 Ų6853.7 Ų53.730%0.29827%0.268SS..Hα-helixtrans-55.6-30.8-178.8-176.7-104000112.6L150 R234 T238 I241 W245 L246 S247L150-F243 VanDerWaalsContact O-CZ 3.28Å; L150-F243 WeakPolarHBondContact O-CZ 3.38Å; R234-F243 VanDerWaalsContact CZ-CE2 3.4Å; T238-F243 HydrophobicContact CG2-CB 3.91Å; T238-F243 HydrophobicContact CG2-CD2 3.9Å; T238-F243 HydrophobicContact CG2-CG 4.37Å; I241-F243 PolarHBondContact O-N 3.12Å; F243-W245 PolarHBondContact O-N 3.38Å; F243-L246 PolarHBondContact O-N 3.37Å; F243-L246 VanDerWaalsContact O-N 3.17Å; F243-S247 WeakPolarHBondContact O-CB 3.37Å; F243-S247 PolarHBondContact O-N 3.36Å; F243-S247 PolarHBondContact O-OG 2.98Å; F243-S247 VanDerWaalsContact O-OG 3.12Å
244K91.6Very high92.6Very high147 Ų14753.7 Ų53.764%0.63927%0.268SS*.Hα-helixtrans-56.8-35.8175.5-179.3-179.2175.6-176.40112.7S242 S247 M248S242-K244 PolarHBondContact O-N 2.82Å; S242-K244 VanDerWaalsContact O-N 3.09Å; S242-K244 PolarHBondContact OG-N 3.09Å; K244-S247 PolarHBondContact O-OG 2.85Å; K244-S247 VanDerWaalsContact O-OG 3.09Å; K244-M248 HydrophobicContact CG-CE 4.4Å; K244-M248 WeakPolarHBondContact O-CG 3.31Å
245W93.6Very high92.6Very high164 Ų16452.5 Ų52.562%0.62126%0.264SS*.Hα-helixtrans-78.6-43.6176.4-65.4102.5000111I241 S242 F243 S247 M248 F249I241-W245 HydrophobicContact CG2-CB 4.36Å; S242-W245 PolarHBondContact O-N 3.16Å; F243-W245 PolarHBondContact O-N 3.38Å; W245-S247 VanDerWaalsContact C-N 3.29Å; W245-S247 PolarHBondContact O-N 2.82Å; W245-M248 HydrophobicContact CE3-CE 4.14Å; W245-M248 HydrophobicContact CE3-SD 3.99Å; W245-M248 HydrophobicContact CZ3-CE 4.48Å; W245-M248 HydrophobicContact CZ3-SD 4.45Å; W245-M248 WeakPolarHBondContact O-CB 3.5Å; W245-M248 PolarHBondContact O-N 2.79Å; W245-M248 VanDerWaalsContact O-N 3.16Å; W245-F249 WeakPolarHBondContact O-CD2 3.27Å
246L92.8Very high92.5Very high4 Ų450.9 Ų50.92%0.02126%0.261CS..Hα-helixtrans-60.1-40178.7-65.4170.9000111.9L150 L237 T238 I241 S242 F243 M248 F249 L254L150-L246 HydrophobicContact CD2-CB 4.26Å; L150-L246 WeakPolarHBondContact CD2-O 3.12Å; L237-L246 HydrophobicContact CD2-CD1 3.98Å; L237-L246 HydrophobicContact CD2-CD2 4.49Å; L237-L246 HydrophobicContact CG-CD1 3.8Å; T238-L246 HydrophobicContact CG2-CD1 3.9Å; I241-L246 HydrophobicContact CB-CD1 4.2Å; I241-L246 HydrophobicContact CB-CD2 4.14Å; I241-L246 HydrophobicContact CB-CG 4.16Å; I241-L246 HydrophobicContact CG2-CD1 4.37Å; I241-L246 HydrophobicContact CG2-CD2 3.79Å; I241-L246 HydrophobicContact CG2-CG 3.79Å; S242-L246 PolarHBondContact O-N 2.82Å; F243-L246 PolarHBondContact O-N 3.37Å; F243-L246 VanDerWaalsContact O-N 3.17Å; L246-M248 PolarHBondContact O-N 2.96Å; L246-M248 VanDerWaalsContact O-N 3.13Å; L246-F249 PolarHBondContact O-N 2.94Å; L246-F249 VanDerWaalsContact O-N 3.16Å; L246-L254 HydrophobicContact CD2-CD1 4Å
247S90.1Very high92.5Very high61 Ų6152.6 Ų52.643%0.42727%0.271SS..THydrogen-bonded Turntrans-68.5-7.8-179.564.60000114.4F243 K244 W245 F249F243-S247 WeakPolarHBondContact O-CB 3.37Å; F243-S247 PolarHBondContact O-N 3.36Å; F243-S247 PolarHBondContact O-OG 2.98Å; F243-S247 VanDerWaalsContact O-OG 3.12Å; K244-S247 PolarHBondContact O-OG 2.85Å; K244-S247 VanDerWaalsContact O-OG 3.09Å; W245-S247 VanDerWaalsContact C-N 3.29Å; W245-S247 PolarHBondContact O-N 2.82Å; S247-F249 VanDerWaalsContact C-N 3.32Å
248M92.5Very high92.4Very high114 Ų11452.6 Ų52.656%0.56227%0.271SS*.THydrogen-bonded Turntrans-77.9-21.1174-61.4179.7-177.900112.2K244 W245 L246K244-M248 HydrophobicContact CG-CE 4.4Å; K244-M248 WeakPolarHBondContact O-CG 3.31Å; W245-M248 HydrophobicContact CE3-CE 4.14Å; W245-M248 HydrophobicContact CE3-SD 3.99Å; W245-M248 HydrophobicContact CZ3-CE 4.48Å; W245-M248 HydrophobicContact CZ3-SD 4.45Å; W245-M248 WeakPolarHBondContact O-CB 3.5Å; W245-M248 PolarHBondContact O-N 2.79Å; W245-M248 VanDerWaalsContact O-N 3.16Å; L246-M248 PolarHBondContact O-N 2.96Å; L246-M248 VanDerWaalsContact O-N 3.13Å
249F93.3Very high92.1Very high72 Ų7250.5 Ų50.532%0.31626%0.258SS..SBendtrans-91.5143.3-178.1-60.1-73.3000111.4L150 W245 L246 S247 E253 L254 V257L150-F249 WeakPolarHBondContact CD1-O 3.27Å; W245-F249 WeakPolarHBondContact O-CD2 3.27Å; L246-F249 PolarHBondContact O-N 2.94Å; L246-F249 VanDerWaalsContact O-N 3.16Å; S247-F249 VanDerWaalsContact C-N 3.32Å; F249-E253 HydrophobicContact CB-CB 4.09Å; F249-E253 HydrophobicContact CD1-CB 3.86Å; F249-E253 HydrophobicContact CG-CB 4.44Å; F249-L254 HydrophobicContact CB-CB 4.07Å; F249-V257 HydrophobicContact CD1-CG2 4.19Å; F249-V257 HydrophobicContact CE1-CG2 3.75Å; F249-V257 HydrophobicContact CE2-CG2 4.37Å; F249-V257 HydrophobicContact CZ-CG2 3.85Å
250S91.3Very high91.7Very high41 Ų4148 Ų4829%0.28725%0.247SC..  trans-68.4164.1157.565.80000110.9A252 E253 L254S250-A252 PolarHBondContact O-N 3.4Å; S250-E253 VanDerWaalsContact CB-OE2 3.31Å; S250-E253 WeakPolarHBondContact CB-OE2 3.31Å; S250-E253 PolarHBondContact N-OE2 3.48Å; S250-E253 PolarHBondContact O-N 3.07Å; S250-E253 VanDerWaalsContact OG-CD 3.27Å; S250-E253 VanDerWaalsContact OG-CG 3.28Å; S250-E253 WeakPolarHBondContact OG-CG 3.47Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-E253 PolarHBondContact OG-OE2 3.22Å; S250-L254 WeakPolarHBondContact O-CB 3.28Å; S250-L254 PolarHBondContact O-N 2.89Å
251P90.8Very high91Very high9 Ų951.2 Ų51.26%0.05826%0.261CS..Hα-helixtrans-54.2-39.7174.6-27.736000113.4L143 L146 A147 L150 Y151 L195 Q255L143-P251 HydrophobicContact CD2-CB 4.33Å; L146-P251 HydrophobicContact CB-CB 4.04Å; L146-P251 VanDerWaalsContact CD1-O 3.29Å; L146-P251 WeakPolarHBondContact CD1-O 3.49Å; A147-P251 HydrophobicContact CB-CB 4.47Å; A147-P251 HydrophobicContact CB-CG 3.81Å; L150-P251 HydrophobicContact CD1-CG 4.32Å; Y151-P251 HydrophobicContact CE2-CG 4.04Å; L195-P251 HydrophobicContact CD2-CG 4.09Å; P251-Q255 WeakPolarHBondContact O-CB 3.32Å; P251-Q255 PolarHBondContact O-N 3.22Å
252A91.8Very high90Very high50 Ų5054.4 Ų54.441%0.41328%0.282SS..Hα-helixtrans-70.2-39179.400000112.7L143 S250 Q255 I256L143-A252 HydrophobicContact CD2-CB 4.41Å; S250-A252 PolarHBondContact O-N 3.4Å; A252-Q255 WeakPolarHBondContact O-CB 3.29Å; A252-Q255 PolarHBondContact O-N 3.45Å; A252-I256 WeakPolarHBondContact O-CG1 3.42Å; A252-I256 PolarHBondContact O-N 3.37Å
253E93.6Very high88.9Confident97 Ų9756.5 Ų56.545%0.45329%0.288SS..Hα-helixtrans-70.5-38.4175.8-67.8161.5141.500111.6F249 S250 Q255 I256 V257F249-E253 HydrophobicContact CB-CB 4.09Å; F249-E253 HydrophobicContact CD1-CB 3.86Å; F249-E253 HydrophobicContact CG-CB 4.44Å; S250-E253 VanDerWaalsContact CB-OE2 3.31Å; S250-E253 WeakPolarHBondContact CB-OE2 3.31Å; S250-E253 PolarHBondContact N-OE2 3.48Å; S250-E253 PolarHBondContact O-N 3.07Å; S250-E253 VanDerWaalsContact OG-CD 3.27Å; S250-E253 VanDerWaalsContact OG-CG 3.28Å; S250-E253 WeakPolarHBondContact OG-CG 3.47Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-E253 PolarHBondContact OG-OE2 3.22Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 2.95Å; E253-I256 WeakPolarHBondContact O-CB 3.41Å; E253-I256 PolarHBondContact O-N 3.13Å; E253-I256 VanDerWaalsContact O-N 3.1Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.41Å
254L94.1Very high88.4Confident0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-62.1-38.5173.7-179.560.3000111.1L146 L150 L246 F249 S250 I256 V257 I258L146-L254 HydrophobicContact CD2-CD2 4.12Å; L146-L254 HydrophobicContact CD2-CG 4.5Å; L150-L254 HydrophobicContact CD1-CD2 4Å; L150-L254 HydrophobicContact CD2-CD2 3.97Å; L150-L254 HydrophobicContact CG-CD2 3.96Å; L246-L254 HydrophobicContact CD2-CD1 4Å; F249-L254 HydrophobicContact CB-CB 4.07Å; S250-L254 WeakPolarHBondContact O-CB 3.28Å; S250-L254 PolarHBondContact O-N 2.89Å; L254-I256 VanDerWaalsContact C-N 3.27Å; L254-I256 PolarHBondContact O-N 3.36Å; L254-V257 PolarHBondContact O-N 3Å; L254-I258 HydrophobicContact CD1-CD1 4.06Å; L254-I258 HydrophobicContact CD1-CG1 4.23Å; L254-I258 HydrophobicContact CD2-CD1 4.46Å; L254-I258 HydrophobicContact CG-CD1 3.85Å; L254-I258 HydrophobicContact CG-CG1 4.44Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 2.9Å
255Q93.2Very high88.1Confident3 Ų350.8 Ų50.81%0.01427%0.274CS..Hα-helixtrans-59.6-38.3173.6-178.449.769.400111.9F141 L143 L146 P251 A252 E253 S259F141-Q255 PolarHBondContact O-OE1 2.92Å; L143-Q255 HydrophobicContact CD2-CB 4.26Å; L146-Q255 HydrophobicContact CD1-CB 3.61Å; L146-Q255 HydrophobicContact CD1-CG 4.38Å; P251-Q255 WeakPolarHBondContact O-CB 3.32Å; P251-Q255 PolarHBondContact O-N 3.22Å; A252-Q255 WeakPolarHBondContact O-CB 3.29Å; A252-Q255 PolarHBondContact O-N 3.45Å; E253-Q255 VanDerWaalsContact C-N 3.27Å; E253-Q255 PolarHBondContact O-N 2.95Å; Q255-S259 PolarHBondContact NE2-OG 3.44Å; Q255-S259 PolarHBondContact O-N 2.93Å
256I91.1Very high87.9Confident49 Ų4946.8 Ų46.825%0.25127%0.265SS..Hα-helixtrans-68.1-41.6175.6-69162.8000110.8A252 E253 L254 I258 G260 F261 L304A252-I256 WeakPolarHBondContact O-CG1 3.42Å; A252-I256 PolarHBondContact O-N 3.37Å; E253-I256 WeakPolarHBondContact O-CB 3.41Å; E253-I256 PolarHBondContact O-N 3.13Å; E253-I256 VanDerWaalsContact O-N 3.1Å; L254-I256 VanDerWaalsContact C-N 3.27Å; L254-I256 PolarHBondContact O-N 3.36Å; I256-I258 VanDerWaalsContact C-N 3.33Å; I256-I258 PolarHBondContact O-N 2.58Å; I256-G260 WeakPolarHBondContact O-CA 3.3Å; I256-G260 PolarHBondContact O-N 3.35Å; I256-F261 HydrophobicContact CD1-CD1 4.11Å; I256-F261 HydrophobicContact CD1-CE1 3.75Å; I256-F261 HydrophobicContact CG1-CD1 4.13Å; I256-F261 HydrophobicContact CG1-CE1 4.13Å; I256-F261 HydrophobicContact CG2-CD1 4.04Å; I256-F261 HydrophobicContact CG2-CD2 4.33Å; I256-F261 HydrophobicContact CG2-CE1 3.68Å; I256-F261 HydrophobicContact CG2-CE2 4.01Å; I256-F261 HydrophobicContact CG2-CG 4.35Å; I256-F261 HydrophobicContact CG2-CZ 3.65Å; I256-L304 HydrophobicContact CG2-CD1 3.38Å
257V91.6Very high87.8Confident35 Ų3547.8 Ų47.821%0.21227%0.271CS..Hα-helixtrans-62.1-40.8176.7171.50000111.8I131 F249 E253 L254I131-V257 HydrophobicContact CD1-CG1 4.46Å; I131-V257 HydrophobicContact CG1-CG1 4.22Å; I131-V257 HydrophobicContact CG2-CG1 4.05Å; F249-V257 HydrophobicContact CD1-CG2 4.19Å; F249-V257 HydrophobicContact CE1-CG2 3.75Å; F249-V257 HydrophobicContact CE2-CG2 4.37Å; F249-V257 HydrophobicContact CZ-CG2 3.85Å; E253-V257 WeakPolarHBondContact O-CG2 3.39Å; E253-V257 PolarHBondContact O-N 3.41Å; L254-V257 PolarHBondContact O-N 3Å
258I92Very high87.8Confident2 Ų250 Ų501%0.0128%0.281CS..Hα-helixtrans-74.2-53.5-179-67.2168.2000110.9V127 I131 V137 F141 L146 L254 I256V127-I258 HydrophobicContact CG1-CD1 4.22Å; V127-I258 HydrophobicContact CG1-CG1 4.09Å; V127-I258 HydrophobicContact CG1-CG2 3.95Å; I131-I258 HydrophobicContact CD1-CG1 3.94Å; I131-I258 HydrophobicContact CG1-CG1 4.47Å; V137-I258 HydrophobicContact CG2-CG2 3.5Å; V137-I258 VanDerWaalsContact CG2-CG2 3.5Å; V137-I258 WeakPolarHBondContact CG2-O 3.31Å; V137-I258 PolarHBondContact N-O 3.39Å; V137-I258 VanDerWaalsContact N-O 3.15Å; F141-I258 HydrophobicContact CD2-CD1 4.12Å; F141-I258 HydrophobicContact CD2-CG2 4.21Å; F141-I258 HydrophobicContact CE2-CD1 4.33Å; F141-I258 HydrophobicContact CE2-CG2 3.9Å; L146-I258 HydrophobicContact CD2-CD1 4Å; L254-I258 HydrophobicContact CD1-CD1 4.06Å; L254-I258 HydrophobicContact CD1-CG1 4.23Å; L254-I258 HydrophobicContact CD2-CD1 4.46Å; L254-I258 HydrophobicContact CG-CD1 3.85Å; L254-I258 HydrophobicContact CG-CG1 4.44Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 2.9Å; I256-I258 VanDerWaalsContact C-N 3.33Å; I256-I258 PolarHBondContact O-N 2.58Å
259S88Confident87.8Confident0 Ų047.6 Ų47.60%027%0.269CS..Hα-helixtrans-119.77.4-163-31.70000115.1V137 P139 Q255 R301V137-S259 WeakPolarHBondContact O-CA 3.37Å; V137-S259 VanDerWaalsContact O-CB 3.29Å; V137-S259 WeakPolarHBondContact O-CB 3.21Å; P139-S259 WeakPolarHBondContact O-CB 3.25Å; P139-S259 PolarHBondContact O-OG 2.77Å; Q255-S259 PolarHBondContact NE2-OG 3.44Å; Q255-S259 PolarHBondContact O-N 2.93Å; S259-R301 VanDerWaalsContact CB-NH1 3.34Å; S259-R301 VanDerWaalsContact O-CD 3.3Å; S259-R301 WeakPolarHBondContact O-CD 3.49Å; S259-R301 PolarHBondContact O-NH1 3.07Å
260G83.9Confident87.7Confident1 Ų144.2 Ų44.21%0.0125%0.254CS..  trans72.6-175-17800000113.6I256I256-G260 WeakPolarHBondContact O-CA 3.3Å; I256-G260 PolarHBondContact O-N 3.35Å
261F78.6Confident87.7Confident70 Ų7044.4 Ų44.431%0.30725%0.25SS..  trans-78.1147.7175.6-63.9-80000111.6I256 N263 L304I256-F261 HydrophobicContact CD1-CD1 4.11Å; I256-F261 HydrophobicContact CD1-CE1 3.75Å; I256-F261 HydrophobicContact CG1-CD1 4.13Å; I256-F261 HydrophobicContact CG1-CE1 4.13Å; I256-F261 HydrophobicContact CG2-CD1 4.04Å; I256-F261 HydrophobicContact CG2-CD2 4.33Å; I256-F261 HydrophobicContact CG2-CE1 3.68Å; I256-F261 HydrophobicContact CG2-CE2 4.01Å; I256-F261 HydrophobicContact CG2-CG 4.35Å; I256-F261 HydrophobicContact CG2-CZ 3.65Å; F261-N263 VanDerWaalsContact C-N 3.3Å; F261-N263 HydrophobicContact CB-CB 4.27Å; F261-L304 HydrophobicContact CD2-CD1 4.38Å; F261-L304 HydrophobicContact CE2-CD1 3.6Å; F261-L304 HydrophobicContact CZ-CD1 4Å
262T71.8Confident87.8Confident92 Ų9248.7 Ų48.756%0.56428%0.28SS*.  trans-929166.747.40000112.5R140R140-T262 VanDerWaalsContact NH1-CG2 3.29Å
263N69.9Low87.8Confident108 Ų10847.1 Ų47.158%0.57827%0.266SS*.SBendtrans-67.8155.4-179.3-66.3-2.5000111F261F261-N263 VanDerWaalsContact C-N 3.3Å; F261-N263 HydrophobicContact CB-CB 4.27Å
264S80.1Confident87.8Confident87 Ų8743.5 Ų43.561%0.60825%0.251SS*.PPolyproline II helixtrans-53.3143.5169.9560000110.8N266 E286S264-N266 PolarHBondContact O-N 2.92Å; S264-E286 WeakPolarHBondContact CA-OE2 3.28Å; S264-E286 WeakPolarHBondContact CB-OE2 3.43Å
265I86.7Confident87.7Confident7 Ų748.2 Ų48.24%0.03628%0.276CS..PPolyproline II helixtrans-67.7121-179.2-71.9165000109V267 W270 E286 K289 L293 F307I265-V267 PolarHBondContact O-N 3.25Å; I265-W270 HydrophobicContact CD1-CZ3 4.47Å; I265-W270 HydrophobicContact CG2-CD2 4.45Å; I265-W270 HydrophobicContact CG2-CE3 3.47Å; I265-W270 VanDerWaalsContact CG2-CE3 3.47Å; I265-W270 HydrophobicContact CG2-CZ3 3.9Å; I265-E286 PolarHBondContact N-OE2 2.62Å; I265-K289 HydrophobicContact CB-CB 4.49Å; I265-K289 HydrophobicContact CB-CD 4.29Å; I265-K289 HydrophobicContact CD1-CB 3.6Å; I265-L293 HydrophobicContact CD1-CD2 4.4Å; I265-F307 HydrophobicContact CG2-CE2 4.16Å; I265-F307 HydrophobicContact CG2-CZ 3.79Å
266N88.4Confident87.5Confident81 Ų8151.1 Ų51.143%0.43329%0.287SS..  trans-70.995.8173.6-174.4-13000109.9S264 V268 E269 W270S264-N266 PolarHBondContact O-N 2.92Å; N266-V268 VanDerWaalsContact C-N 3.3Å; N266-V268 PolarHBondContact O-N 3.16Å; N266-V268 PolarHBondContact OD1-N 3.39Å; N266-E269 HydrophobicContact CB-CB 3.98Å; N266-E269 PolarHBondContact O-N 3.43Å; N266-E269 PolarHBondContact OD1-N 3Å; N266-W270 PolarHBondContact O-N 2.9Å
267V91Very high86.8Confident24 Ų2458 Ų5815%0.14532%0.318CS..Hα-helixtrans-59.9-40.1-177.7174.50000112I265 E269 W270 Q271 V281 E282 K289I265-V267 PolarHBondContact O-N 3.25Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 2.96Å; V267-W270 PolarHBondContact O-N 3.25Å; V267-Q271 HydrophobicContact CG1-CG 4.21Å; V267-Q271 WeakPolarHBondContact O-CB 3.49Å; V267-Q271 VanDerWaalsContact O-CG 3.25Å; V267-Q271 WeakPolarHBondContact O-CG 3.17Å; V267-Q271 PolarHBondContact O-N 3.25Å; V267-V281 HydrophobicContact CG1-CB 4.45Å; V267-V281 HydrophobicContact CG1-CG2 3.73Å; V267-E282 HydrophobicContact CG1-CG 4.13Å; V267-K289 HydrophobicContact CG2-CD 3.87Å; V267-K289 VanDerWaalsContact CG2-CE 3.43Å; V267-K289 VanDerWaalsContact CG2-NZ 3.33Å
268V90.8Very high86.1Confident107 Ų10764.8 Ų64.865%0.64834%0.34SS*.Hα-helixtrans-64-41.7-178.61790000110.8N266 S272N266-V268 VanDerWaalsContact C-N 3.3Å; N266-V268 PolarHBondContact O-N 3.16Å; N266-V268 PolarHBondContact OD1-N 3.39Å; V268-S272 WeakPolarHBondContact O-CB 3.4Å; V268-S272 PolarHBondContact O-N 3.25Å; V268-S272 PolarHBondContact O-OG 2.78Å
269E91.1Very high85.2Confident64 Ų6468 Ų6830%0.29936%0.36SS..Hα-helixtrans-69.2-43176.6-169.1-164.7161.700111.9N266 V267 Q271 S272 S273 G306 F307N266-E269 HydrophobicContact CB-CB 3.98Å; N266-E269 PolarHBondContact O-N 3.43Å; N266-E269 PolarHBondContact OD1-N 3Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 2.96Å; E269-Q271 PolarHBondContact O-N 2.89Å; E269-S272 WeakPolarHBondContact CA-OG 3.5Å; E269-S272 PolarHBondContact O-N 2.64Å; E269-S272 PolarHBondContact O-OG 2.73Å; E269-S273 WeakPolarHBondContact O-CB 3.36Å; E269-S273 PolarHBondContact O-N 2.81Å; E269-S273 PolarHBondContact O-OG 3.46Å; E269-G306 VanDerWaalsContact OE1-C 3.31Å; E269-G306 WeakPolarHBondContact OE1-CA 3.45Å; E269-F307 HydrophobicContact CB-CD2 4.38Å; E269-F307 HydrophobicContact CG-CD2 4.26Å; E269-F307 PolarHBondContact OE1-N 3.07Å
270W92.4Very high84.9Confident2 Ų269.8 Ų69.81%0.00837%0.369CS..Hα-helixtrans-58.5-49.3177.5-173.51.5000110.9I265 N266 V267 S273 T274 V281 K289 L292 L293 F307 F314I265-W270 HydrophobicContact CD1-CZ3 4.47Å; I265-W270 HydrophobicContact CG2-CD2 4.45Å; I265-W270 HydrophobicContact CG2-CE3 3.47Å; I265-W270 VanDerWaalsContact CG2-CE3 3.47Å; I265-W270 HydrophobicContact CG2-CZ3 3.9Å; N266-W270 PolarHBondContact O-N 2.9Å; V267-W270 PolarHBondContact O-N 3.25Å; W270-S273 CarbonylContact O-C 3.56Å; W270-S273 PolarHBondContact O-N 3.2Å; W270-T274 VanDerWaalsContact CD1-OG1 3.31Å; W270-T274 WeakPolarHBondContact O-CB 3.23Å; W270-T274 PolarHBondContact O-N 3.24Å; W270-T274 VanDerWaalsContact O-N 3.08Å; W270-T274 PolarHBondContact O-OG1 3.22Å; W270-V281 HydrophobicContact CD2-CG1 4.22Å; W270-V281 HydrophobicContact CE3-CB 4.3Å; W270-V281 HydrophobicContact CE3-CG1 3.75Å; W270-V281 HydrophobicContact CE3-CG2 4.46Å; W270-V281 HydrophobicContact CH2-CG1 3.68Å; W270-V281 HydrophobicContact CZ2-CG1 4.11Å; W270-V281 HydrophobicContact CZ3-CB 4.32Å; W270-V281 HydrophobicContact CZ3-CG1 3.47Å; W270-V281 VanDerWaalsContact CZ3-CG1 3.47Å; W270-K289 HydrophobicContact CZ3-CB 4.07Å; W270-K289 HydrophobicContact CZ3-CG 4.38Å; W270-L292 HydrophobicContact CH2-CB 4.29Å; W270-L292 HydrophobicContact CH2-CD2 3.81Å; W270-L292 HydrophobicContact CH2-CG 4Å; W270-L292 HydrophobicContact CZ2-CD2 4.13Å; W270-L292 HydrophobicContact CZ2-CG 4.28Å; W270-L293 HydrophobicContact CH2-CB 4.06Å; W270-L293 HydrophobicContact CH2-CD1 4.37Å; W270-L293 HydrophobicContact CZ2-CB 4.42Å; W270-L293 HydrophobicContact CZ2-CD1 3.97Å; W270-F307 HydrophobicContact CB-CD1 3.87Å; W270-F307 HydrophobicContact CB-CD2 3.86Å; W270-F307 HydrophobicContact CB-CE1 3.8Å; W270-F307 HydrophobicContact CB-CE2 3.75Å; W270-F307 HydrophobicContact CB-CG 3.94Å; W270-F307 HydrophobicContact CB-CZ 3.74Å; W270-F307 AromaticContact CD1-CD1 3.42Å; W270-F307 VanDerWaalsContact CD1-CD1 3.42Å; W270-F307 AromaticContact CD1-CE1 3.52Å; W270-F307 HydrophobicContact CD2-CD1 4.31Å; W270-F307 AromaticContact CD2-CE1 3.62Å; W270-F307 HydrophobicContact CD2-CE1 3.62Å; W270-F307 AromaticContact CD2-CZ 3.9Å; W270-F307 HydrophobicContact CD2-CZ 3.9Å; W270-F307 AromaticContact CE2-CE1 3.93Å; W270-F307 HydrophobicContact CE3-CE1 4.27Å; W270-F307 HydrophobicContact CE3-CZ 4.15Å; W270-F307 AromaticContact CG-CD1 3.61Å; W270-F307 HydrophobicContact CG-CD1 3.61Å; W270-F307 HydrophobicContact CG-CD2 4.47Å; W270-F307 AromaticContact CG-CE1 3.38Å; W270-F307 HydrophobicContact CG-CE1 3.38Å; W270-F307 HydrophobicContact CG-CE2 4.26Å; W270-F307 HydrophobicContact CG-CG 4.19Å; W270-F307 AromaticContact CG-CZ 3.74Å; W270-F307 HydrophobicContact CG-CZ 3.74Å; W270-F307 AromaticContact NE1-CE1 3.88Å; W270-F314 AromaticContact CE2-CE2 3.96Å; W270-F314 AromaticContact CE2-CZ 3.98Å; W270-F314 HydrophobicContact CZ2-CD2 4.43Å; W270-F314 HydrophobicContact CZ2-CE1 4.34Å; W270-F314 AromaticContact CZ2-CE2 3.66Å; W270-F314 HydrophobicContact CZ2-CE2 3.66Å; W270-F314 AromaticContact CZ2-CZ 3.61Å; W270-F314 HydrophobicContact CZ2-CZ 3.61Å; W270-F314 AromaticContact NE1-CD1 3.66Å; W270-F314 AromaticContact NE1-CD2 3.59Å; W270-F314 AromaticContact NE1-CE1 3.73Å; W270-F314 AromaticContact NE1-CE2 3.63Å; W270-F314 AromaticContact NE1-CG 3.59Å; W270-F314 AromaticContact NE1-CZ 3.71Å
271Q91.9Very high85.1Confident45 Ų4570 Ų7021%0.2137%0.37CS..Hα-helixtrans-63-46.3179.1-71.1169.7-27.300112V267 E269 S273 T274 T279 V281 E282V267-Q271 HydrophobicContact CG1-CG 4.21Å; V267-Q271 WeakPolarHBondContact O-CB 3.49Å; V267-Q271 VanDerWaalsContact O-CG 3.25Å; V267-Q271 WeakPolarHBondContact O-CG 3.17Å; V267-Q271 PolarHBondContact O-N 3.25Å; E269-Q271 PolarHBondContact O-N 2.89Å; Q271-S273 PolarHBondContact O-N 3.24Å; Q271-T274 PolarHBondContact O-N 3.02Å; Q271-T279 HydrophobicContact CG-CG2 4.45Å; Q271-T279 VanDerWaalsContact NE2-CB 3.26Å; Q271-V281 HydrophobicContact CG-CG2 3.86Å; Q271-E282 VanDerWaalsContact NE2-CD 3.32Å; Q271-E282 VanDerWaalsContact NE2-CG 3.33Å; Q271-E282 PolarHBondContact NE2-OE1 3.17Å
272S91.6Very high85.4Confident98 Ų9872 Ų7269%0.68538%0.38SS*.Hα-helixtrans-65.5-21-179.762.40000113.4V268 E269V268-S272 WeakPolarHBondContact O-CB 3.4Å; V268-S272 PolarHBondContact O-N 3.25Å; V268-S272 PolarHBondContact O-OG 2.78Å; E269-S272 WeakPolarHBondContact CA-OG 3.5Å; E269-S272 PolarHBondContact O-N 2.64Å; E269-S272 PolarHBondContact O-OG 2.73Å
273S92.1Very high86.1Confident17 Ų1774.3 Ų74.312%0.11939%0.385CS..THydrogen-bonded Turntrans-98.30.5175.7-54.40000113.9E269 W270 Q271 A308E269-S273 WeakPolarHBondContact O-CB 3.36Å; E269-S273 PolarHBondContact O-N 2.81Å; E269-S273 PolarHBondContact O-OG 3.46Å; W270-S273 CarbonylContact O-C 3.56Å; W270-S273 PolarHBondContact O-N 3.2Å; Q271-S273 PolarHBondContact O-N 3.24Å; S273-A308 PolarHBondContact OG-N 3.42Å
274T94.1Very high87.1Confident21 Ų2169.6 Ų69.613%0.12936%0.359CS..SBendtrans-93.2132.3-178.6-67.80000110.7W270 Q271 Y276 F314 I316W270-T274 VanDerWaalsContact CD1-OG1 3.31Å; W270-T274 WeakPolarHBondContact O-CB 3.23Å; W270-T274 PolarHBondContact O-N 3.24Å; W270-T274 VanDerWaalsContact O-N 3.08Å; W270-T274 PolarHBondContact O-OG1 3.22Å; Q271-T274 PolarHBondContact O-N 3.02Å; T274-Y276 PolarHBondContact O-N 3.29Å; T274-F314 CarbonylContact C-O 3.57Å; T274-F314 WeakPolarHBondContact CA-O 3.2Å; T274-F314 HydrophobicContact CG2-CD1 3.8Å; T274-F314 HydrophobicContact CG2-CE1 4.43Å; T274-I316 HydrophobicContact CG2-CD1 3.85Å; T274-I316 HydrophobicContact CG2-CG1 4.01Å
275L92.1Very high87.6Confident100 Ų10069 Ų6952%0.52435%0.352SS..BIsolated β-bridgetrans-79.266.4174.2-63.6-177.3000111.2L313 F314 T315L275-L313 HydrophobicContact CD1-CB 4Å; L275-L313 HydrophobicContact CD1-CD1 4.18Å; L275-L313 HydrophobicContact CD2-CD1 3.89Å; L275-L313 HydrophobicContact CG-CB 3.98Å; L275-L313 HydrophobicContact CG-CD1 3.99Å; L275-F314 PolarHBondContact N-O 3Å; L275-T315 HydrophobicContact CB-CG2 4.12Å
276Y89.6Confident87.7Confident63 Ų6372.3 Ų72.325%0.24737%0.367CS..SBendtrans-170.9148.1173.3-175.8-121.2000111.2T274 R278 I316 V318T274-Y276 PolarHBondContact O-N 3.29Å; Y276-R278 HydrophobicContact CD1-CB 4.17Å; Y276-R278 VanDerWaalsContact CD1-O 3.26Å; Y276-R278 WeakPolarHBondContact CD1-O 3.49Å; Y276-R278 HydrophobicContact CE1-CB 3.48Å; Y276-R278 VanDerWaalsContact CE1-CB 3.48Å; Y276-R278 HydrophobicContact CE1-CG 4.04Å; Y276-R278 WeakPolarHBondContact OH-CD 3.47Å; Y276-I316 HydrophobicContact CD1-CB 3.75Å; Y276-I316 HydrophobicContact CD1-CD1 3.71Å; Y276-I316 HydrophobicContact CD1-CG1 4.3Å; Y276-I316 HydrophobicContact CD1-CG2 3.85Å; Y276-I316 HydrophobicContact CD2-CB 4.28Å; Y276-I316 HydrophobicContact CD2-CG2 4.42Å; Y276-I316 HydrophobicContact CE1-CB 4.39Å; Y276-I316 HydrophobicContact CE1-CD1 4.46Å; Y276-I316 HydrophobicContact CE1-CG2 3.97Å; Y276-I316 HydrophobicContact CG-CB 3.66Å; Y276-I316 HydrophobicContact CG-CD1 4.3Å; Y276-I316 HydrophobicContact CG-CG1 4.48Å; Y276-I316 HydrophobicContact CG-CG2 4.06Å; Y276-V318 HydrophobicContact CE2-CG2 3.8Å; Y276-V318 VanDerWaalsContact OH-CG2 3.29Å; Y276-V318 WeakPolarHBondContact OH-CG2 3.2Å
277E76.1Confident87.7Confident194 Ų19472.2 Ų72.291%0.90737%0.37SS*.SBendtrans-86.5-25.8-171.8-64.3-179170.200114.5
278R75.5Confident87.7Confident177 Ų17772.9 Ų72.967%0.66837%0.372SS*.SBendtrans-94141.7-175.2-50.4-175178.1178.8-3.3112.5Y276Y276-R278 HydrophobicContact CD1-CB 4.17Å; Y276-R278 VanDerWaalsContact CD1-O 3.26Å; Y276-R278 WeakPolarHBondContact CD1-O 3.49Å; Y276-R278 HydrophobicContact CE1-CB 3.48Å; Y276-R278 VanDerWaalsContact CE1-CB 3.48Å; Y276-R278 HydrophobicContact CE1-CG 4.04Å; Y276-R278 WeakPolarHBondContact OH-CD 3.47Å
279T74.9Confident87.8Confident71 Ų7168.7 Ų68.744%0.43635%0.345SS..  trans-82.1123.4178.861.50000110.1Q271 E282Q271-T279 HydrophobicContact CG-CG2 4.45Å; Q271-T279 VanDerWaalsContact NE2-CB 3.26Å; T279-E282 WeakPolarHBondContact CB-OE2 3.44Å; T279-E282 WeakPolarHBondContact CG2-OE1 3.21Å; T279-E282 PolarHBondContact OG1-OE2 2.83Å
280I81.6Confident87.8Confident37 Ų3767.5 Ų67.519%0.1934%0.343CS..SBendtrans-113.9-11.8175.859160.8000113.3L292 I316 L336 L338 L351I280-L292 HydrophobicContact CD1-CD2 3.91Å; I280-I316 HydrophobicContact CD1-CD1 3.57Å; I280-I316 HydrophobicContact CD1-CG1 4.48Å; I280-I316 HydrophobicContact CG1-CD1 3.85Å; I280-L336 HydrophobicContact CD1-CD2 3.42Å; I280-L336 VanDerWaalsContact CD1-CD2 3.42Å; I280-L338 HydrophobicContact CG2-CD1 4.4Å; I280-L351 HydrophobicContact CD1-CD2 4.33Å
281V86.2Confident87.7Confident5 Ų572.2 Ų72.23%0.0336%0.361CS..SBendtrans-105.5-13-168.9-78.20000114.5V267 W270 Q271 E283 M284 K289 L292V267-V281 HydrophobicContact CG1-CB 4.45Å; V267-V281 HydrophobicContact CG1-CG2 3.73Å; W270-V281 HydrophobicContact CD2-CG1 4.22Å; W270-V281 HydrophobicContact CE3-CB 4.3Å; W270-V281 HydrophobicContact CE3-CG1 3.75Å; W270-V281 HydrophobicContact CE3-CG2 4.46Å; W270-V281 HydrophobicContact CH2-CG1 3.68Å; W270-V281 HydrophobicContact CZ2-CG1 4.11Å; W270-V281 HydrophobicContact CZ3-CB 4.32Å; W270-V281 HydrophobicContact CZ3-CG1 3.47Å; W270-V281 VanDerWaalsContact CZ3-CG1 3.47Å; Q271-V281 HydrophobicContact CG-CG2 3.86Å; V281-E283 PolarHBondContact O-N 2.85Å; V281-M284 HydrophobicContact CG1-SD 4.34Å; V281-M284 PolarHBondContact O-N 2.56Å; V281-K289 VanDerWaalsContact O-CE 3.31Å; V281-K289 WeakPolarHBondContact O-CE 3.28Å; V281-L292 HydrophobicContact CG1-CD2 3.61Å
282E85.9Confident87.8Confident111 Ų11170 Ų7052%0.51935%0.351SS..THydrogen-bonded Turntrans-61.6-42.6-174.4-86.6161.6-173.800112.9V267 Q271 T279 M284V267-E282 HydrophobicContact CG1-CG 4.13Å; Q271-E282 VanDerWaalsContact NE2-CD 3.32Å; Q271-E282 VanDerWaalsContact NE2-CG 3.33Å; Q271-E282 PolarHBondContact NE2-OE1 3.17Å; T279-E282 WeakPolarHBondContact CB-OE2 3.44Å; T279-E282 WeakPolarHBondContact CG2-OE1 3.21Å; T279-E282 PolarHBondContact OG1-OE2 2.83Å; E282-M284 VanDerWaalsContact C-N 3.32Å
283E85.7Confident87.8Confident141 Ų14165.4 Ų65.466%0.65932%0.318SS*.THydrogen-bonded Turntrans-92.811.2-177.7-53.9-175.8170.300113.8V281 K348V281-E283 PolarHBondContact O-N 2.85Å; E283-K348 PolarHBondContact O-NZ 3.46Å; E283-K348 IonicContact OE2-NZ 3.12Å; E283-K348 PolarHBondContact OE2-NZ 3.09Å
284M90.7Very high87.6Confident9 Ų968.3 Ų68.34%0.04433%0.327CS..  trans-88.6143.6177.3-70.9-172.3170.200110.4V281 E282 E288 K289 L292 L351 L352V281-M284 HydrophobicContact CG1-SD 4.34Å; V281-M284 PolarHBondContact O-N 2.56Å; E282-M284 VanDerWaalsContact C-N 3.32Å; M284-E288 WeakPolarHBondContact CA-OE2 3.22Å; M284-E288 HydrophobicContact CB-CB 3.9Å; M284-E288 HydrophobicContact CG-CB 4.22Å; M284-E288 HydrophobicContact SD-CB 4.38Å; M284-K289 HydrophobicContact CB-CG 3.76Å; M284-K289 WeakPolarHBondContact O-CE 3.45Å; M284-L292 HydrophobicContact CE-CD2 4.05Å; M284-L292 HydrophobicContact SD-CB 4.34Å; M284-L292 HydrophobicContact SD-CD2 3.79Å; M284-L351 HydrophobicContact CE-CD2 3.6Å; M284-L351 HydrophobicContact CE-CG 4.28Å; M284-L352 HydrophobicContact CE-CD2 4.34Å
285T91Very high87.3Confident75 Ų7568.4 Ų68.446%0.4633%0.325SS..  trans-67162.1165.962.40000110.8T287 E288 K289T285-T287 PolarHBondContact O-N 3.17Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.34Å; T285-E288 PolarHBondContact N-OE2 3.49Å; T285-E288 PolarHBondContact O-N 2.79Å; T285-E288 VanDerWaalsContact O-N 3.08Å; T285-E288 WeakPolarHBondContact OG1-CB 3.27Å; T285-E288 VanDerWaalsContact OG1-CD 3.23Å; T285-E288 WeakPolarHBondContact OG1-CG 3.39Å; T285-E288 PolarHBondContact OG1-N 3.41Å; T285-E288 PolarHBondContact OG1-OE2 3.49Å; T285-K289 WeakPolarHBondContact O-CG 3.31Å; T285-K289 PolarHBondContact O-N 3.34Å
286E88.7Confident87.2Confident76 Ų7663.6 Ų63.636%0.35530%0.3SS..Hα-helixtrans-58.1-36.9176.9-67.4-54.7116.500112.6S264 I265 K289 S290S264-E286 WeakPolarHBondContact CA-OE2 3.28Å; S264-E286 WeakPolarHBondContact CB-OE2 3.43Å; I265-E286 PolarHBondContact N-OE2 2.62Å; E286-K289 PolarHBondContact O-N 3.1Å; E286-K289 IonicContact OE1-NZ 3.42Å; E286-K289 PolarHBondContact OE1-NZ 3.16Å; E286-S290 WeakPolarHBondContact O-CB 3.23Å; E286-S290 PolarHBondContact O-N 2.97Å; E286-S290 PolarHBondContact O-OG 3.38Å
287T88.7Confident87Confident80 Ų8060.6 Ų60.649%0.49129%0.289SS..Hα-helixtrans-63.6-44.2175-54.70000111.3T285 S290 R291T285-T287 PolarHBondContact O-N 3.17Å; T287-S290 PolarHBondContact O-N 3.04Å; T287-R291 WeakPolarHBondContact O-CB 3.38Å; T287-R291 VanDerWaalsContact O-CG 3.25Å; T287-R291 WeakPolarHBondContact O-CG 3.15Å; T287-R291 PolarHBondContact O-N 3.39Å
288E91.8Very high87.2Confident38 Ų3852.3 Ų52.318%0.17825%0.252CS..Hα-helixtrans-67.5-41.1178.3-70.9166.1151.500111.9M284 T285 S290 R291 L292 L352M284-E288 WeakPolarHBondContact CA-OE2 3.22Å; M284-E288 HydrophobicContact CB-CB 3.9Å; M284-E288 HydrophobicContact CG-CB 4.22Å; M284-E288 HydrophobicContact SD-CB 4.38Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.34Å; T285-E288 PolarHBondContact N-OE2 3.49Å; T285-E288 PolarHBondContact O-N 2.79Å; T285-E288 VanDerWaalsContact O-N 3.08Å; T285-E288 WeakPolarHBondContact OG1-CB 3.27Å; T285-E288 VanDerWaalsContact OG1-CD 3.23Å; T285-E288 WeakPolarHBondContact OG1-CG 3.39Å; T285-E288 PolarHBondContact OG1-N 3.41Å; T285-E288 PolarHBondContact OG1-OE2 3.49Å; E288-S290 PolarHBondContact O-N 2.86Å; E288-R291 PolarHBondContact O-N 3.09Å; E288-L292 WeakPolarHBondContact O-CB 3.46Å; E288-L292 PolarHBondContact O-N 3.44Å; E288-L352 HydrophobicContact CB-CD2 4.01Å; E288-L352 HydrophobicContact CG-CD2 3.65Å; E288-L352 WeakPolarHBondContact OE1-CD1 3.28Å
289K92.8Very high87.4Confident19 Ų1944 Ų448%0.08322%0.221CC..Hα-helixtrans-58.4-47.4173.7-70.4175.3-166.4162.70111.4I265 V267 W270 V281 M284 T285 E286 R291 L292 L293I265-K289 HydrophobicContact CB-CB 4.49Å; I265-K289 HydrophobicContact CB-CD 4.29Å; I265-K289 HydrophobicContact CD1-CB 3.6Å; V267-K289 HydrophobicContact CG2-CD 3.87Å; V267-K289 VanDerWaalsContact CG2-CE 3.43Å; V267-K289 VanDerWaalsContact CG2-NZ 3.33Å; W270-K289 HydrophobicContact CZ3-CB 4.07Å; W270-K289 HydrophobicContact CZ3-CG 4.38Å; V281-K289 VanDerWaalsContact O-CE 3.31Å; V281-K289 WeakPolarHBondContact O-CE 3.28Å; M284-K289 HydrophobicContact CB-CG 3.76Å; M284-K289 WeakPolarHBondContact O-CE 3.45Å; T285-K289 WeakPolarHBondContact O-CG 3.31Å; T285-K289 PolarHBondContact O-N 3.34Å; E286-K289 PolarHBondContact O-N 3.1Å; E286-K289 IonicContact OE1-NZ 3.42Å; E286-K289 PolarHBondContact OE1-NZ 3.16Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.37Å; K289-L292 PolarHBondContact O-N 2.88Å; K289-L293 WeakPolarHBondContact O-CB 3.45Å; K289-L293 PolarHBondContact O-N 2.85Å
290S89.7Confident87.8Confident38 Ų3841.8 Ų41.827%0.26621%0.208SC..Hα-helixtrans-62.7-41.3179-57.80000111.6E286 T287 E288 L293 R294 S300E286-S290 WeakPolarHBondContact O-CB 3.23Å; E286-S290 PolarHBondContact O-N 2.97Å; E286-S290 PolarHBondContact O-OG 3.38Å; T287-S290 PolarHBondContact O-N 3.04Å; E288-S290 PolarHBondContact O-N 2.86Å; S290-L293 PolarHBondContact O-N 2.86Å; S290-R294 WeakPolarHBondContact O-CB 3.43Å; S290-R294 PolarHBondContact O-N 3.32Å; S290-S300 WeakPolarHBondContact CA-O 3.35Å; S290-S300 WeakPolarHBondContact CB-O 3.44Å; S290-S300 WeakPolarHBondContact O-CA 3.34Å
291R91Very high87.9Confident101 Ų10142.5 Ų42.538%0.38121%0.209SC..Hα-helixtrans-70.7-38177.1-68.1174.9178.3172.2-1.3112.5T287 E288 K289 R294 F295 I355T287-R291 WeakPolarHBondContact O-CB 3.38Å; T287-R291 VanDerWaalsContact O-CG 3.25Å; T287-R291 WeakPolarHBondContact O-CG 3.15Å; T287-R291 PolarHBondContact O-N 3.39Å; E288-R291 PolarHBondContact O-N 3.09Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.37Å; R291-R294 PolarHBondContact O-N 2.94Å; R291-F295 WeakPolarHBondContact O-CB 3.2Å; R291-F295 PolarHBondContact O-N 3.2Å; R291-I355 HydrophobicContact CB-CG2 3.29Å; R291-I355 HydrophobicContact CG-CG2 4.41Å
292L93.4Very high87.8Confident0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-61.8-45.1172.517362.3000110.8W270 I280 V281 M284 E288 K289 R294 F295 V296 L336 L351 I355W270-L292 HydrophobicContact CH2-CB 4.29Å; W270-L292 HydrophobicContact CH2-CD2 3.81Å; W270-L292 HydrophobicContact CH2-CG 4Å; W270-L292 HydrophobicContact CZ2-CD2 4.13Å; W270-L292 HydrophobicContact CZ2-CG 4.28Å; I280-L292 HydrophobicContact CD1-CD2 3.91Å; V281-L292 HydrophobicContact CG1-CD2 3.61Å; M284-L292 HydrophobicContact CE-CD2 4.05Å; M284-L292 HydrophobicContact SD-CB 4.34Å; M284-L292 HydrophobicContact SD-CD2 3.79Å; E288-L292 WeakPolarHBondContact O-CB 3.46Å; E288-L292 PolarHBondContact O-N 3.44Å; K289-L292 PolarHBondContact O-N 2.88Å; L292-R294 VanDerWaalsContact C-N 3.28Å; L292-R294 PolarHBondContact O-N 3.12Å; L292-F295 WeakPolarHBondContact O-CB 3.33Å; L292-F295 PolarHBondContact O-N 2.95Å; L292-F295 VanDerWaalsContact O-N 3.13Å; L292-V296 HydrophobicContact CD1-CG2 3.9Å; L292-V296 WeakPolarHBondContact O-CG2 3.1Å; L292-V296 PolarHBondContact O-N 2.85Å; L292-L336 HydrophobicContact CD1-CD1 4.45Å; L292-L336 HydrophobicContact CD1-CD2 4.07Å; L292-L351 HydrophobicContact CD1-CD1 4.14Å; L292-L351 HydrophobicContact CD1-CD2 4.45Å; L292-I355 HydrophobicContact CB-CD1 3.78Å; L292-I355 HydrophobicContact CD1-CD1 3.81Å; L292-I355 HydrophobicContact CD1-CG1 4.44Å; L292-I355 HydrophobicContact CG-CD1 4.36Å
293L91.5Very high87.5Confident0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-60.9-41.5177.8-169.559.5000110.9I265 W270 K289 S290 V296 T297 C299 R301 F307 F310 F314I265-L293 HydrophobicContact CD1-CD2 4.4Å; W270-L293 HydrophobicContact CH2-CB 4.06Å; W270-L293 HydrophobicContact CH2-CD1 4.37Å; W270-L293 HydrophobicContact CZ2-CB 4.42Å; W270-L293 HydrophobicContact CZ2-CD1 3.97Å; K289-L293 WeakPolarHBondContact O-CB 3.45Å; K289-L293 PolarHBondContact O-N 2.85Å; S290-L293 PolarHBondContact O-N 2.86Å; L293-V296 PolarHBondContact O-N 3.31Å; L293-T297 HydrophobicContact CD1-CG2 3.91Å; L293-T297 WeakPolarHBondContact O-CA 3.38Å; L293-T297 WeakPolarHBondContact O-CB 3.36Å; L293-T297 WeakPolarHBondContact O-CG2 3.34Å; L293-T297 PolarHBondContact O-N 3.33Å; L293-T297 PolarHBondContact O-OG1 2.77Å; L293-C299 CarbonylContact C-O 3.47Å; L293-C299 WeakPolarHBondContact CG-O 3.45Å; L293-R301 WeakPolarHBondContact CD2-O 3.34Å; L293-F307 HydrophobicContact CD1-CE1 3.94Å; L293-F307 HydrophobicContact CD2-CE1 4.32Å; L293-F307 HydrophobicContact CD2-CZ 4.41Å; L293-F310 HydrophobicContact CD1-CE2 4.3Å; L293-F310 HydrophobicContact CD1-CZ 4.11Å; L293-F314 HydrophobicContact CD1-CD2 4.36Å; L293-F314 HydrophobicContact CD1-CE2 4.12Å
294R87.8Confident87.1Confident79 Ų7935.5 Ų35.530%0.29818%0.181SC..Hα-helixtrans-64.3-40.7173.1-175.1-176.5-179.4123.711112.1E138 S290 R291 L292 V296 S298 C299E138-R294 IonicContact OE1-CZ 2.61Å; E138-R294 IonicContact OE1-NH1 3.38Å; E138-R294 PolarHBondContact OE1-NH1 2.63Å; E138-R294 IonicContact OE2-CZ 2.99Å; E138-R294 IonicContact OE2-NH1 2.92Å; E138-R294 PolarHBondContact OE2-NH1 3.16Å; E138-R294 IonicContact OE2-NH2 3.86Å; S290-R294 WeakPolarHBondContact O-CB 3.43Å; S290-R294 PolarHBondContact O-N 3.32Å; R291-R294 PolarHBondContact O-N 2.94Å; L292-R294 VanDerWaalsContact C-N 3.28Å; L292-R294 PolarHBondContact O-N 3.12Å; R294-V296 VanDerWaalsContact C-N 3.28Å; R294-V296 PolarHBondContact O-N 3.46Å; R294-S298 WeakPolarHBondContact O-CA 3.34Å; R294-S298 PolarHBondContact O-N 2.83Å; R294-C299 VanDerWaalsContact CA-O 3.26Å; R294-C299 WeakPolarHBondContact CA-O 3.35Å; R294-C299 PolarHBondContact N-O 3.37Å
295F89Confident86.7Confident22 Ų2241.6 Ų41.610%0.09621%0.213CC..Hα-helixtrans-62.7-36.6179178.6-110.6000112.2R291 L292 S329 L336 A354 I355 S358R291-F295 WeakPolarHBondContact O-CB 3.2Å; R291-F295 PolarHBondContact O-N 3.2Å; L292-F295 WeakPolarHBondContact O-CB 3.33Å; L292-F295 PolarHBondContact O-N 2.95Å; L292-F295 VanDerWaalsContact O-N 3.13Å; F295-S329 WeakPolarHBondContact O-CB 3.46Å; F295-S329 PolarHBondContact O-OG 3.27Å; F295-L336 HydrophobicContact CD1-CD1 4.02Å; F295-L336 HydrophobicContact CE1-CD1 3.76Å; F295-A354 HydrophobicContact CZ-CB 4.39Å; F295-I355 HydrophobicContact CB-CG1 4Å; F295-I355 HydrophobicContact CD1-CG1 4.08Å; F295-I355 HydrophobicContact CG-CG1 3.99Å; F295-S358 WeakPolarHBondContact CE2-OG 3.44Å
296V89.3Confident86.5Confident0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-93.5-22.4-176.5-178.10000113L292 L293 R294 F314 T331 L336L292-V296 HydrophobicContact CD1-CG2 3.9Å; L292-V296 WeakPolarHBondContact O-CG2 3.1Å; L292-V296 PolarHBondContact O-N 2.85Å; L293-V296 PolarHBondContact O-N 3.31Å; R294-V296 VanDerWaalsContact C-N 3.28Å; R294-V296 PolarHBondContact O-N 3.46Å; V296-F314 HydrophobicContact CB-CE2 3.58Å; V296-F314 HydrophobicContact CB-CZ 3.8Å; V296-F314 HydrophobicContact CG1-CD2 3.98Å; V296-F314 HydrophobicContact CG1-CE1 4.33Å; V296-F314 HydrophobicContact CG1-CE2 3.39Å; V296-F314 HydrophobicContact CG1-CZ 3.59Å; V296-F314 HydrophobicContact CG2-CE2 4.14Å; V296-F314 HydrophobicContact CG2-CZ 3.82Å; V296-T331 VanDerWaalsContact O-CA 3.3Å; V296-T331 WeakPolarHBondContact O-CA 3.31Å; V296-L336 HydrophobicContact CG1-CB 4.27Å; V296-L336 HydrophobicContact CG2-CB 3.78Å; V296-L336 HydrophobicContact CG2-CD1 3.83Å; V296-L336 HydrophobicContact CG2-CD2 4.43Å; V296-L336 HydrophobicContact CG2-CG 4.21Å
297T84.8Confident86.5Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-132.1-4.9-172.280.20000113.4R76 L293 C299 F310 F314 N334R76-T297 PolarHBondContact NE-O 3.09Å; R76-T297 PolarHBondContact NH1-O 3.43Å; R76-T297 PolarHBondContact NH2-O 2.84Å; L293-T297 HydrophobicContact CD1-CG2 3.91Å; L293-T297 WeakPolarHBondContact O-CA 3.38Å; L293-T297 WeakPolarHBondContact O-CB 3.36Å; L293-T297 WeakPolarHBondContact O-CG2 3.34Å; L293-T297 PolarHBondContact O-N 3.33Å; L293-T297 PolarHBondContact O-OG1 2.77Å; T297-C299 PolarHBondContact O-N 2.93Å; T297-C299 VanDerWaalsContact O-N 3.09Å; T297-C299 PolarHBondContact OG1-N 3.02Å; T297-C299 PolarHBondContact OG1-O 3.45Å; T297-F310 HydrophobicContact CG2-CE1 4.05Å; T297-F310 HydrophobicContact CG2-CZ 3.86Å; T297-F314 HydrophobicContact CG2-CD2 4Å; T297-F314 HydrophobicContact CG2-CE2 4.08Å; T297-N334 HydrophobicContact CG2-CB 4.37Å
298S80.9Confident86.6Confident19 Ų1933.9 Ų33.913%0.13318%0.178CC..SBendtrans63.37.7-171.5-45.10000114.9R294 T331R294-S298 WeakPolarHBondContact O-CA 3.34Å; R294-S298 PolarHBondContact O-N 2.83Å; S298-T331 WeakPolarHBondContact OG-CG2 3.14Å
299C80.5Confident86.4Confident4 Ų433.8 Ų33.83%0.02718%0.182CC..  trans-120.3131.4169.6-69.90000109.9R76 L293 R294 T297 R301R76-C299 PolarHBondContact NH2-SG 3.1Å; L293-C299 CarbonylContact C-O 3.47Å; L293-C299 WeakPolarHBondContact CG-O 3.45Å; R294-C299 VanDerWaalsContact CA-O 3.26Å; R294-C299 WeakPolarHBondContact CA-O 3.35Å; R294-C299 PolarHBondContact N-O 3.37Å; T297-C299 PolarHBondContact O-N 2.93Å; T297-C299 VanDerWaalsContact O-N 3.09Å; T297-C299 PolarHBondContact OG1-N 3.02Å; T297-C299 PolarHBondContact OG1-O 3.45Å; C299-R301 VanDerWaalsContact C-N 3.31Å
300S83.6Confident86Confident24 Ų2433.7 Ų33.717%0.16818%0.182CC..SBendtrans-81.7-5.5177.548.50000114.9E138 S290E138-S300 WeakPolarHBondContact OE1-CB 3.35Å; E138-S300 PolarHBondContact OE1-N 3.24Å; E138-S300 PolarHBondContact OE1-OG 3.23Å; S290-S300 WeakPolarHBondContact CA-O 3.35Å; S290-S300 WeakPolarHBondContact CB-O 3.44Å; S290-S300 WeakPolarHBondContact O-CA 3.34Å
301R84Confident85.7Confident52 Ų5240.9 Ų40.920%0.19620%0.203CC..SBendtrans-124.8151-172.4-69.2174.5-164144.39.8111Q136 E138 S259 L293 C299Q136-R301 VanDerWaalsContact NE2-CB 3.26Å; Q136-R301 PolarHBondContact NE2-O 3.28Å; E138-R301 PolarHBondContact O-NH1 2.87Å; E138-R301 PolarHBondContact O-NH2 3.16Å; E138-R301 VanDerWaalsContact O-NH2 3.08Å; S259-R301 VanDerWaalsContact CB-NH1 3.34Å; S259-R301 VanDerWaalsContact O-CD 3.3Å; S259-R301 WeakPolarHBondContact O-CD 3.49Å; S259-R301 PolarHBondContact O-NH1 3.07Å; L293-R301 WeakPolarHBondContact CD2-O 3.34Å; C299-R301 VanDerWaalsContact C-N 3.31Å
302P83.3Confident85.5Confident18 Ų1838.8 Ų38.812%0.11720%0.203CC..  trans-62.3151.4177.628.1-34.8000111Q136 F307Q136-P302 PolarHBondContact NE2-O 3.47Å; Q136-P302 PolarHBondContact OE1-O 3.28Å; P302-F307 HydrophobicContact CB-CE2 3.78Å; P302-F307 HydrophobicContact CB-CZ 3.84Å
303P80Confident85.4Confident22 Ų2241.3 Ų41.314%0.14322%0.216CC..  trans-66.6150175.129.7-36.9000111.6L305 G306 F310P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 3.12Å; P303-G306 VanDerWaalsContact CG-C 3.5Å; P303-G306 WeakPolarHBondContact CG-O 3.16Å; P303-G306 PolarHBondContact O-N 3.48Å; P303-F310 HydrophobicContact CG-CD2 4.38Å; P303-F310 HydrophobicContact CG-CE2 4.09Å; P303-F310 HydrophobicContact CG-CZ 4.18Å
304L76.6Confident85.5Confident70 Ų7041.4 Ų41.437%0.36622%0.216SC..THydrogen-bonded Turntrans-54-42.8-177.2177.659.7000113.6I256 F261 G306I256-L304 HydrophobicContact CG2-CD1 3.38Å; F261-L304 HydrophobicContact CD2-CD1 4.38Å; F261-L304 HydrophobicContact CE2-CD1 3.6Å; F261-L304 HydrophobicContact CZ-CD1 4Å; L304-G306 VanDerWaalsContact C-N 3.27Å; L304-G306 PolarHBondContact O-N 3.47Å
305L82.3Confident85.8Confident137 Ų13739.2 Ų39.272%0.71721%0.212SC*.THydrogen-bonded Turntrans-90.213.8-178.4-61.8-179.1000113.1P303P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 3.12Å
306G86.8Confident86.2Confident10 Ų1038.7 Ų38.710%0.10321%0.21CC..  trans83.4165.7-179.900000114.2E269 P303 L304 A308 S309E269-G306 VanDerWaalsContact OE1-C 3.31Å; E269-G306 WeakPolarHBondContact OE1-CA 3.45Å; P303-G306 VanDerWaalsContact CG-C 3.5Å; P303-G306 WeakPolarHBondContact CG-O 3.16Å; P303-G306 PolarHBondContact O-N 3.48Å; L304-G306 VanDerWaalsContact C-N 3.27Å; L304-G306 PolarHBondContact O-N 3.47Å; G306-A308 PolarHBondContact O-N 3.15Å; G306-A308 VanDerWaalsContact O-N 3.13Å; G306-S309 VanDerWaalsContact O-CB 3.28Å; G306-S309 WeakPolarHBondContact O-CB 3.37Å; G306-S309 PolarHBondContact O-N 3.42Å; G306-S309 PolarHBondContact O-OG 3.32Å
307F89.7Confident86.4Confident2 Ų243 Ų431%0.00923%0.23CC..G310 helixtrans-61.3-27.6-169-76.2-91.5000113.6I265 E269 W270 L293 P302 S309 F310I265-F307 HydrophobicContact CG2-CE2 4.16Å; I265-F307 HydrophobicContact CG2-CZ 3.79Å; E269-F307 HydrophobicContact CB-CD2 4.38Å; E269-F307 HydrophobicContact CG-CD2 4.26Å; E269-F307 PolarHBondContact OE1-N 3.07Å; W270-F307 HydrophobicContact CB-CD1 3.87Å; W270-F307 HydrophobicContact CB-CD2 3.86Å; W270-F307 HydrophobicContact CB-CE1 3.8Å; W270-F307 HydrophobicContact CB-CE2 3.75Å; W270-F307 HydrophobicContact CB-CG 3.94Å; W270-F307 HydrophobicContact CB-CZ 3.74Å; W270-F307 AromaticContact CD1-CD1 3.42Å; W270-F307 VanDerWaalsContact CD1-CD1 3.42Å; W270-F307 AromaticContact CD1-CE1 3.52Å; W270-F307 HydrophobicContact CD2-CD1 4.31Å; W270-F307 AromaticContact CD2-CE1 3.62Å; W270-F307 HydrophobicContact CD2-CE1 3.62Å; W270-F307 AromaticContact CD2-CZ 3.9Å; W270-F307 HydrophobicContact CD2-CZ 3.9Å; W270-F307 AromaticContact CE2-CE1 3.93Å; W270-F307 HydrophobicContact CE3-CE1 4.27Å; W270-F307 HydrophobicContact CE3-CZ 4.15Å; W270-F307 AromaticContact CG-CD1 3.61Å; W270-F307 HydrophobicContact CG-CD1 3.61Å; W270-F307 HydrophobicContact CG-CD2 4.47Å; W270-F307 AromaticContact CG-CE1 3.38Å; W270-F307 HydrophobicContact CG-CE1 3.38Å; W270-F307 HydrophobicContact CG-CE2 4.26Å; W270-F307 HydrophobicContact CG-CG 4.19Å; W270-F307 AromaticContact CG-CZ 3.74Å; W270-F307 HydrophobicContact CG-CZ 3.74Å; W270-F307 AromaticContact NE1-CE1 3.88Å; L293-F307 HydrophobicContact CD1-CE1 3.94Å; L293-F307 HydrophobicContact CD2-CE1 4.32Å; L293-F307 HydrophobicContact CD2-CZ 4.41Å; P302-F307 HydrophobicContact CB-CE2 3.78Å; P302-F307 HydrophobicContact CB-CZ 3.84Å; F307-S309 PolarHBondContact O-N 2.89Å; F307-F310 HydrophobicContact CD1-CD2 4.14Å; F307-F310 AromaticContact CD1-CE2 3.61Å; F307-F310 HydrophobicContact CD1-CE2 3.61Å; F307-F310 HydrophobicContact CE1-CE2 4.09Å; F307-F310 WeakPolarHBondContact O-CD2 3.4Å; F307-F310 PolarHBondContact O-N 3.28Å
308A89.8Confident86.8Confident56 Ų5645 Ų4546%0.46324%0.242SC..G310 helixtrans-65.2-15.6175.600000113.6S273 G306 F310 R311S273-A308 PolarHBondContact OG-N 3.42Å; G306-A308 PolarHBondContact O-N 3.15Å; G306-A308 VanDerWaalsContact O-N 3.13Å; A308-F310 VanDerWaalsContact C-N 3.34Å; A308-R311 PolarHBondContact O-NH1 2.75Å
309S87Confident87.4Confident37 Ų3746.5 Ų46.526%0.25925%0.248SC..G310 helixtrans-79-13.5177.370.30000113.8G306 F307 R311G306-S309 VanDerWaalsContact O-CB 3.28Å; G306-S309 WeakPolarHBondContact O-CB 3.37Å; G306-S309 PolarHBondContact O-N 3.42Å; G306-S309 PolarHBondContact O-OG 3.32Å; F307-S309 PolarHBondContact O-N 2.89Å; S309-R311 PolarHBondContact O-N 3.24Å
310F85.5Confident88Confident16 Ų1652.2 Ų52.27%0.0728%0.278CS..  trans-55135.8177.6-86.6-55.5000112L293 T297 P303 F307 A308 P312 L313 F314L293-F310 HydrophobicContact CD1-CE2 4.3Å; L293-F310 HydrophobicContact CD1-CZ 4.11Å; T297-F310 HydrophobicContact CG2-CE1 4.05Å; T297-F310 HydrophobicContact CG2-CZ 3.86Å; P303-F310 HydrophobicContact CG-CD2 4.38Å; P303-F310 HydrophobicContact CG-CE2 4.09Å; P303-F310 HydrophobicContact CG-CZ 4.18Å; F307-F310 HydrophobicContact CD1-CD2 4.14Å; F307-F310 AromaticContact CD1-CE2 3.61Å; F307-F310 HydrophobicContact CD1-CE2 3.61Å; F307-F310 HydrophobicContact CE1-CE2 4.09Å; F307-F310 WeakPolarHBondContact O-CD2 3.4Å; F307-F310 PolarHBondContact O-N 3.28Å; A308-F310 VanDerWaalsContact C-N 3.34Å; F310-P312 CarbonylContact C-O 3.49Å; F310-P312 VanDerWaalsContact C-O 3.3Å; F310-P312 WeakPolarHBondContact CB-O 3.47Å; F310-P312 CarbonylContact O-C 3.53Å; F310-L313 PolarHBondContact O-N 2.95Å; F310-F314 HydrophobicContact CD2-CB 4.28Å
311R82.3Confident88.4Confident189 Ų18958.9 Ų58.971%0.71331%0.312SS*.SBendtrans-130109.4174.1-63.6-63.1176.8-99.6-0.1109.5A308 S309A308-R311 PolarHBondContact O-NH1 2.75Å; S309-R311 PolarHBondContact O-N 3.24Å
312P88.2Confident88.6Confident58 Ų5857.9 Ų57.938%0.37731%0.311SS..SBendcis-66.7168.1-10.433.6-38.3000112F310 V333 N334F310-P312 CarbonylContact C-O 3.49Å; F310-P312 VanDerWaalsContact C-O 3.3Å; F310-P312 WeakPolarHBondContact CB-O 3.47Å; F310-P312 CarbonylContact O-C 3.53Å; P312-V333 VanDerWaalsContact CG-C 3.46Å; P312-V333 HydrophobicContact CG-CB 3.92Å; P312-V333 HydrophobicContact CG-CG1 4.45Å; P312-V333 WeakPolarHBondContact CG-O 3.15Å; P312-N334 PolarHBondContact O-ND2 3.4Å
313L91.2Very high89Confident52 Ų5261 Ų6127%0.27233%0.33SS..PPolyproline II helixtrans-58.3152.4175.8-70.1174.7000111.7L275 F310 T315L275-L313 HydrophobicContact CD1-CB 4Å; L275-L313 HydrophobicContact CD1-CD1 4.18Å; L275-L313 HydrophobicContact CD2-CD1 3.89Å; L275-L313 HydrophobicContact CG-CB 3.98Å; L275-L313 HydrophobicContact CG-CD1 3.99Å; F310-L313 PolarHBondContact O-N 2.95Å; L313-T315 PolarHBondContact O-N 3.09Å; L313-T315 PolarHBondContact O-OG1 3.05Å
314F93.3Very high89.3Confident2 Ų265.6 Ų65.61%0.00935%0.353CS..PPolyproline II helixtrans-58.4121.8171.5-166.2-77.3000109.1W270 T274 L275 L293 V296 T297 F310 I316 N334W270-F314 AromaticContact CE2-CE2 3.96Å; W270-F314 AromaticContact CE2-CZ 3.98Å; W270-F314 HydrophobicContact CZ2-CD2 4.43Å; W270-F314 HydrophobicContact CZ2-CE1 4.34Å; W270-F314 AromaticContact CZ2-CE2 3.66Å; W270-F314 HydrophobicContact CZ2-CE2 3.66Å; W270-F314 AromaticContact CZ2-CZ 3.61Å; W270-F314 HydrophobicContact CZ2-CZ 3.61Å; W270-F314 AromaticContact NE1-CD1 3.66Å; W270-F314 AromaticContact NE1-CD2 3.59Å; W270-F314 AromaticContact NE1-CE1 3.73Å; W270-F314 AromaticContact NE1-CE2 3.63Å; W270-F314 AromaticContact NE1-CG 3.59Å; W270-F314 AromaticContact NE1-CZ 3.71Å; T274-F314 CarbonylContact C-O 3.57Å; T274-F314 WeakPolarHBondContact CA-O 3.2Å; T274-F314 HydrophobicContact CG2-CD1 3.8Å; T274-F314 HydrophobicContact CG2-CE1 4.43Å; L275-F314 PolarHBondContact N-O 3Å; L293-F314 HydrophobicContact CD1-CD2 4.36Å; L293-F314 HydrophobicContact CD1-CE2 4.12Å; V296-F314 HydrophobicContact CB-CE2 3.58Å; V296-F314 HydrophobicContact CB-CZ 3.8Å; V296-F314 HydrophobicContact CG1-CD2 3.98Å; V296-F314 HydrophobicContact CG1-CE1 4.33Å; V296-F314 HydrophobicContact CG1-CE2 3.39Å; V296-F314 HydrophobicContact CG1-CZ 3.59Å; V296-F314 HydrophobicContact CG2-CE2 4.14Å; V296-F314 HydrophobicContact CG2-CZ 3.82Å; T297-F314 HydrophobicContact CG2-CD2 4Å; T297-F314 HydrophobicContact CG2-CE2 4.08Å; F310-F314 HydrophobicContact CD2-CB 4.28Å; F314-I316 HydrophobicContact CD1-CG1 4.34Å; F314-I316 HydrophobicContact CE1-CD1 4.22Å; F314-I316 HydrophobicContact CE1-CG1 3.88Å; F314-N334 WeakPolarHBondContact CA-O 3.37Å
315T94.8Very high90Very high34 Ų3470.6 Ų70.621%0.20937%0.367CS..EExtended strand (participates in β ladder)trans-126.3138-172.1-570000109.7L275 L313 N334 L335 L336L275-T315 HydrophobicContact CB-CG2 4.12Å; L313-T315 PolarHBondContact O-N 3.09Å; L313-T315 PolarHBondContact O-OG1 3.05Å; T315-N334 PolarHBondContact N-O 2.98Å; T315-L335 HydrophobicContact CG2-CD1 3.69Å; T315-L335 CarbonylContact O-C 3.58Å; T315-L335 WeakPolarHBondContact O-CA 3.26Å; T315-L336 PolarHBondContact O-N 2.68Å
316I95.6Very high90.6Very high11 Ų1167.8 Ų67.86%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-116123.8171.6-55.1168.4000107.9T274 Y276 I280 F314 L336 L338T274-I316 HydrophobicContact CG2-CD1 3.85Å; T274-I316 HydrophobicContact CG2-CG1 4.01Å; Y276-I316 HydrophobicContact CD1-CB 3.75Å; Y276-I316 HydrophobicContact CD1-CD1 3.71Å; Y276-I316 HydrophobicContact CD1-CG1 4.3Å; Y276-I316 HydrophobicContact CD1-CG2 3.85Å; Y276-I316 HydrophobicContact CD2-CB 4.28Å; Y276-I316 HydrophobicContact CD2-CG2 4.42Å; Y276-I316 HydrophobicContact CE1-CB 4.39Å; Y276-I316 HydrophobicContact CE1-CD1 4.46Å; Y276-I316 HydrophobicContact CE1-CG2 3.97Å; Y276-I316 HydrophobicContact CG-CB 3.66Å; Y276-I316 HydrophobicContact CG-CD1 4.3Å; Y276-I316 HydrophobicContact CG-CG1 4.48Å; Y276-I316 HydrophobicContact CG-CG2 4.06Å; I280-I316 HydrophobicContact CD1-CD1 3.57Å; I280-I316 HydrophobicContact CD1-CG1 4.48Å; I280-I316 HydrophobicContact CG1-CD1 3.85Å; F314-I316 HydrophobicContact CD1-CG1 4.34Å; F314-I316 HydrophobicContact CE1-CD1 4.22Å; F314-I316 HydrophobicContact CE1-CG1 3.88Å; I316-L336 CarbonylContact C-O 3.56Å; I316-L336 WeakPolarHBondContact CA-O 3.24Å; I316-L336 HydrophobicContact CD1-CD2 4.47Å; I316-L336 HydrophobicContact CG1-CB 4.19Å; I316-L336 HydrophobicContact CG1-CD2 4.17Å; I316-L336 HydrophobicContact CG2-CD2 4.38Å; I316-L338 HydrophobicContact CG2-CD1 3.5Å; I316-L338 HydrophobicContact CG2-CG 3.88Å
317Q94.3Very high90.9Very high91 Ų9167.5 Ų67.543%0.42535%0.349SS..EExtended strand (participates in β ladder)trans-114126.9176.3179.4-178.426.600109.6L319 L335 L336 K337 L338Q317-L319 HydrophobicContact CG-CD2 4.34Å; Q317-L335 HydrophobicContact CB-CD1 3.77Å; Q317-L336 PolarHBondContact N-O 2.84Å; Q317-K337 CarbonylContact O-C 3.42Å; Q317-K337 WeakPolarHBondContact O-CA 3.49Å; Q317-L338 PolarHBondContact O-N 3.34Å
318V94.1Very high91Very high41 Ų4170.8 Ų70.825%0.24837%0.369CS..EExtended strand (participates in β ladder)trans-91.2126.1170.7-177.70000109.3Y276 L320 L338 N340Y276-V318 HydrophobicContact CE2-CG2 3.8Å; Y276-V318 VanDerWaalsContact OH-CG2 3.29Å; Y276-V318 WeakPolarHBondContact OH-CG2 3.2Å; V318-L320 HydrophobicContact CG1-CD2 4.49Å; V318-L320 PolarHBondContact O-N 3.36Å; V318-L338 CarbonylContact C-O 3.39Å; V318-L338 WeakPolarHBondContact CA-O 3.3Å; V318-N340 HydrophobicContact CG1-CB 3.96Å
319L93.3Very high91Very high51 Ų5169.9 Ų69.927%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-87.796.7177.2-58.3-179.7000109.3Q317 D321 V322 K337 L338 N340Q317-L319 HydrophobicContact CG-CD2 4.34Å; L319-D321 VanDerWaalsContact C-N 3.27Å; L319-D321 PolarHBondContact O-N 3.01Å; L319-V322 HydrophobicContact CB-CB 3.88Å; L319-V322 HydrophobicContact CB-CG2 3.98Å; L319-V322 HydrophobicContact CD1-CB 4.46Å; L319-V322 HydrophobicContact CD1-CG2 4.26Å; L319-V322 PolarHBondContact O-N 2.54Å; L319-V322 VanDerWaalsContact O-N 3.08Å; L319-K337 HydrophobicContact CD1-CB 4.22Å; L319-K337 HydrophobicContact CG-CB 4.41Å; L319-L338 PolarHBondContact N-O 2.87Å; L319-N340 VanDerWaalsContact O-CB 3.31Å; L319-N340 WeakPolarHBondContact O-CB 3.18Å; L319-N340 PolarHBondContact O-N 2.78Å
320L91.6Very high90.9Very high124 Ų12469.3 Ų69.365%0.64936%0.357SS*.THydrogen-bonded Turntrans-57.2-35.9-171-63.1178.1000114.1V318 V322 N340V318-L320 HydrophobicContact CG1-CD2 4.49Å; V318-L320 PolarHBondContact O-N 3.36Å; L320-V322 VanDerWaalsContact C-N 3.35Å; L320-N340 PolarHBondContact O-ND2 2.85Å; L320-N340 VanDerWaalsContact O-ND2 3.11Å
321D92.1Very high90.6Very high164 Ų16469.7 Ų69.788%0.87736%0.361SS*.THydrogen-bonded Turntrans-88.21.5-177.3-56.4-41.6000113.9L319L319-D321 VanDerWaalsContact C-N 3.27Å; L319-D321 PolarHBondContact O-N 3.01Å
322V89.7Confident90.2Very high30 Ų3063.1 Ų63.118%0.18234%0.343CS..  trans-119.4110.1-174.7-178.70000109.4L319 L320 R325 P339 N340L319-V322 HydrophobicContact CB-CB 3.88Å; L319-V322 HydrophobicContact CB-CG2 3.98Å; L319-V322 HydrophobicContact CD1-CB 4.46Å; L319-V322 HydrophobicContact CD1-CG2 4.26Å; L319-V322 PolarHBondContact O-N 2.54Å; L319-V322 VanDerWaalsContact O-N 3.08Å; L320-V322 VanDerWaalsContact C-N 3.35Å; V322-R325 HydrophobicContact CG1-CB 3.6Å; V322-R325 HydrophobicContact CG1-CG 3.62Å; V322-P339 HydrophobicContact CG1-CB 4.24Å; V322-P339 CarbonylContact O-C 3.6Å; V322-P339 WeakPolarHBondContact O-CA 3.47Å; V322-P339 VanDerWaalsContact O-CB 3.26Å; V322-P339 WeakPolarHBondContact O-CB 3.29Å; V322-N340 PolarHBondContact O-N 2.95Å
323T90.3Very high90Very high84 Ų8463.5 Ų63.552%0.51535%0.345SS..SBendtrans-113-21.8-176.157.20000113.5I341T323-I341 VanDerWaalsContact O-CG1 3.32Å; T323-I341 WeakPolarHBondContact O-CG1 3.42Å
324D87.6Confident89.9Confident118 Ų11861.2 Ų61.263%0.63133%0.333SS*.SBendtrans-108.7-16.5-168.364.6-20.5000114.3K350D324-K350 PolarHBondContact O-NZ 2.79Å
325R91Very high89.8Confident175 Ų17562.2 Ų62.266%0.6634%0.338SS*.SBendtrans-76.8164.9-178.2-60.5-171.4-178.4-171.5-0.5114V322 P339V322-R325 HydrophobicContact CG1-CB 3.6Å; V322-R325 HydrophobicContact CG1-CG 3.62Å; R325-P339 WeakPolarHBondContact O-CG 3.45Å
326L93.3Very high89.8Confident78 Ų7860.6 Ų60.641%0.40833%0.328SS..PPolyproline II helixtrans-76.1149.6169.1-67.3176000110.9K350 F353 A354L326-K350 HydrophobicContact CD2-CB 4.09Å; L326-K350 HydrophobicContact CD2-CD 4.34Å; L326-K350 HydrophobicContact CD2-CG 4.17Å; L326-F353 HydrophobicContact CD1-CD1 3.82Å; L326-F353 HydrophobicContact CD1-CE1 3.82Å; L326-F353 HydrophobicContact CD2-CD1 3.81Å; L326-F353 HydrophobicContact CD2-CE1 4.47Å; L326-F353 HydrophobicContact CG-CD1 4.5Å; L326-A354 HydrophobicContact CB-CB 4.4Å
327P93.7Very high89.8Confident4 Ų463.3 Ų63.33%0.02634%0.339CS..PPolyproline II helixtrans-52.2145.1166.1-30.239.8000112.3K337 L338 P339 L351 A354P327-K337 WeakPolarHBondContact CA-O 3.43Å; P327-L338 HydrophobicContact CB-CD2 3.97Å; P327-L338 HydrophobicContact CG-CD2 4.06Å; P327-P339 HydrophobicContact CG-CG 4.5Å; P327-L351 HydrophobicContact CB-CD1 3.85Å; P327-L351 HydrophobicContact CG-CB 4.13Å; P327-L351 HydrophobicContact CG-CD1 4.06Å; P327-A354 HydrophobicContact CB-CB 4.35Å
328T92Very high89.8Confident71 Ų7159 Ų5944%0.43632%0.319SS..EExtended strand (participates in β ladder)trans-131.5164176.2540000109.4K337T328-K337 PolarHBondContact N-O 3.1Å; T328-K337 WeakPolarHBondContact O-CA 3.46Å; T328-K337 PolarHBondContact O-N 3.29Å
329S89.6Confident89.8Confident38 Ų3857.2 Ų57.227%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-125.7156.3174.262.60000111.4F295 L335F295-S329 WeakPolarHBondContact O-CB 3.46Å; F295-S329 PolarHBondContact O-OG 3.27Å; S329-L335 CarbonylContact C-O 3.56Å; S329-L335 WeakPolarHBondContact CA-O 3.47Å
330A85.4Confident89.8Confident25 Ų2557.6 Ų57.621%0.20731%0.311CS..EExtended strand (participates in β ladder)trans-117.986.1158.400000107.2C332 V333 N334 L335A330-C332 PolarHBondContact O-N 3.18Å; A330-V333 HydrophobicContact CB-CG2 3.62Å; A330-V333 CarbonylContact O-C 3.37Å; A330-V333 WeakPolarHBondContact O-CG2 3.46Å; A330-V333 PolarHBondContact O-N 3.31Å; A330-N334 PolarHBondContact O-N 3.2Å; A330-L335 HydrophobicContact CB-CB 4.23Å; A330-L335 HydrophobicContact CB-CD2 4.46Å; A330-L335 PolarHBondContact N-O 3.31Å; A330-L335 PolarHBondContact O-N 3.22Å; A330-L335 VanDerWaalsContact O-N 3.17Å
331T79.6Confident89.8Confident23 Ų2352.5 Ų52.514%0.14128%0.284CS..G310 helixtrans-47.1-39.7178.447.90000113.4E77 V296 S298 V333 N334E77-T331 WeakPolarHBondContact OE1-CB 3.24Å; E77-T331 PolarHBondContact OE1-OG1 3.2Å; V296-T331 VanDerWaalsContact O-CA 3.3Å; V296-T331 WeakPolarHBondContact O-CA 3.31Å; S298-T331 WeakPolarHBondContact OG-CG2 3.14Å; T331-V333 PolarHBondContact O-N 3.5Å; T331-V333 VanDerWaalsContact O-N 3.12Å; T331-N334 PolarHBondContact O-N 2.95Å
332C73Confident89.5Confident51 Ų5150.4 Ų50.435%0.34528%0.279SS..G310 helixtrans-58.7-24.5178.6-62.10000113.9G73 A330G73-C332 VanDerWaalsContact C-SG 3.6Å; G73-C332 WeakPolarHBondContact CA-SG 3.25Å; A330-C332 PolarHBondContact O-N 3.18Å
333V84.5Confident89.5Confident67 Ų6752.6 Ų52.641%0.40629%0.29SS..G310 helixtrans-126.421.6-178.5-66.50000111.9P312 A330 T331 L335P312-V333 VanDerWaalsContact CG-C 3.46Å; P312-V333 HydrophobicContact CG-CB 3.92Å; P312-V333 HydrophobicContact CG-CG1 4.45Å; P312-V333 WeakPolarHBondContact CG-O 3.15Å; A330-V333 HydrophobicContact CB-CG2 3.62Å; A330-V333 CarbonylContact O-C 3.37Å; A330-V333 WeakPolarHBondContact O-CG2 3.46Å; A330-V333 PolarHBondContact O-N 3.31Å; T331-V333 PolarHBondContact O-N 3.5Å; T331-V333 VanDerWaalsContact O-N 3.12Å; V333-L335 HydrophobicContact CG2-CB 3.71Å; V333-L335 HydrophobicContact CG2-CD2 4.32Å; V333-L335 PolarHBondContact O-N 2.9Å
334N88.3Confident89.4Confident4 Ų452.1 Ų52.12%0.02130%0.295CS..THydrogen-bonded Turntrans46.140.4-180-56.6-45.2000113R76 T297 P312 F314 T315 A330 T331R76-N334 PolarHBondContact NH1-OD1 3.23Å; T297-N334 HydrophobicContact CG2-CB 4.37Å; P312-N334 PolarHBondContact O-ND2 3.4Å; F314-N334 WeakPolarHBondContact CA-O 3.37Å; T315-N334 PolarHBondContact N-O 2.98Å; A330-N334 PolarHBondContact O-N 3.2Å; T331-N334 PolarHBondContact O-N 2.95Å
335L92Very high89.5Confident23 Ų2352 Ų5212%0.1229%0.294CS..EExtended strand (participates in β ladder)trans-109.2121.2-171.9175.463.9000111.1T315 Q317 S329 A330 V333 K337T315-L335 HydrophobicContact CG2-CD1 3.69Å; T315-L335 CarbonylContact O-C 3.58Å; T315-L335 WeakPolarHBondContact O-CA 3.26Å; Q317-L335 HydrophobicContact CB-CD1 3.77Å; S329-L335 CarbonylContact C-O 3.56Å; S329-L335 WeakPolarHBondContact CA-O 3.47Å; A330-L335 HydrophobicContact CB-CB 4.23Å; A330-L335 HydrophobicContact CB-CD2 4.46Å; A330-L335 PolarHBondContact N-O 3.31Å; A330-L335 PolarHBondContact O-N 3.22Å; A330-L335 VanDerWaalsContact O-N 3.17Å; V333-L335 HydrophobicContact CG2-CB 3.71Å; V333-L335 HydrophobicContact CG2-CD2 4.32Å; V333-L335 PolarHBondContact O-N 2.9Å; L335-K337 HydrophobicContact CD2-CG 4.15Å; L335-K337 HydrophobicContact CG-CG 4.09Å
336L94.9Very high89.6Confident0 Ų046.2 Ų46.20%028%0.278CS..EExtended strand (participates in β ladder)trans-93.8125166.7-179.562.3000109.6I280 L292 F295 V296 T315 I316 Q317 L338 L351I280-L336 HydrophobicContact CD1-CD2 3.42Å; I280-L336 VanDerWaalsContact CD1-CD2 3.42Å; L292-L336 HydrophobicContact CD1-CD1 4.45Å; L292-L336 HydrophobicContact CD1-CD2 4.07Å; F295-L336 HydrophobicContact CD1-CD1 4.02Å; F295-L336 HydrophobicContact CE1-CD1 3.76Å; V296-L336 HydrophobicContact CG1-CB 4.27Å; V296-L336 HydrophobicContact CG2-CB 3.78Å; V296-L336 HydrophobicContact CG2-CD1 3.83Å; V296-L336 HydrophobicContact CG2-CD2 4.43Å; V296-L336 HydrophobicContact CG2-CG 4.21Å; T315-L336 PolarHBondContact O-N 2.68Å; I316-L336 CarbonylContact C-O 3.56Å; I316-L336 WeakPolarHBondContact CA-O 3.24Å; I316-L336 HydrophobicContact CD1-CD2 4.47Å; I316-L336 HydrophobicContact CG1-CB 4.19Å; I316-L336 HydrophobicContact CG1-CD2 4.17Å; I316-L336 HydrophobicContact CG2-CD2 4.38Å; Q317-L336 PolarHBondContact N-O 2.84Å; L336-L338 HydrophobicContact CD1-CD2 4.08Å; L336-L338 HydrophobicContact CD2-CD1 4.45Å; L336-L338 HydrophobicContact CD2-CD2 3.82Å; L336-L338 HydrophobicContact CD2-CG 4.21Å; L336-L338 HydrophobicContact CG-CD2 3.76Å; L336-L338 HydrophobicContact CG-CG 4.1Å; L336-L351 HydrophobicContact CD1-CD1 4.14Å
337K94.5Very high89.5Confident67 Ų6744 Ų4429%0.29127%0.266SS..EExtended strand (participates in β ladder)trans-105.2114.9175.2-61.7177.1-175.9173.40109.1Q317 L319 P327 T328 L335Q317-K337 CarbonylContact O-C 3.42Å; Q317-K337 WeakPolarHBondContact O-CA 3.49Å; L319-K337 HydrophobicContact CD1-CB 4.22Å; L319-K337 HydrophobicContact CG-CB 4.41Å; P327-K337 WeakPolarHBondContact CA-O 3.43Å; T328-K337 PolarHBondContact N-O 3.1Å; T328-K337 WeakPolarHBondContact O-CA 3.46Å; T328-K337 PolarHBondContact O-N 3.29Å; L335-K337 HydrophobicContact CD2-CG 4.15Å; L335-K337 HydrophobicContact CG-CG 4.09Å
338L94.8Very high89.5Confident1 Ų146.4 Ų46.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-102.2137.2178.9-61.2-178.4000110.2I280 I316 Q317 V318 L319 P327 L336 L347 L351I280-L338 HydrophobicContact CG2-CD1 4.4Å; I316-L338 HydrophobicContact CG2-CD1 3.5Å; I316-L338 HydrophobicContact CG2-CG 3.88Å; Q317-L338 PolarHBondContact O-N 3.34Å; V318-L338 CarbonylContact C-O 3.39Å; V318-L338 WeakPolarHBondContact CA-O 3.3Å; L319-L338 PolarHBondContact N-O 2.87Å; P327-L338 HydrophobicContact CB-CD2 3.97Å; P327-L338 HydrophobicContact CG-CD2 4.06Å; L336-L338 HydrophobicContact CD1-CD2 4.08Å; L336-L338 HydrophobicContact CD2-CD1 4.45Å; L336-L338 HydrophobicContact CD2-CD2 3.82Å; L336-L338 HydrophobicContact CD2-CG 4.21Å; L336-L338 HydrophobicContact CG-CD2 3.76Å; L336-L338 HydrophobicContact CG-CG 4.1Å; L338-L347 HydrophobicContact CB-CD1 4.43Å; L338-L347 HydrophobicContact CD1-CD2 4.42Å; L338-L347 HydrophobicContact CD2-CD1 4.36Å; L338-L351 HydrophobicContact CD2-CD1 4.32Å
339P93.8Very high89.5Confident4 Ų449.5 Ų49.53%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-62.8150.9163.232.7-37.9000109.7V322 R325 P327 I341 L347V322-P339 HydrophobicContact CG1-CB 4.24Å; V322-P339 CarbonylContact O-C 3.6Å; V322-P339 WeakPolarHBondContact O-CA 3.47Å; V322-P339 VanDerWaalsContact O-CB 3.26Å; V322-P339 WeakPolarHBondContact O-CB 3.29Å; R325-P339 WeakPolarHBondContact O-CG 3.45Å; P327-P339 HydrophobicContact CG-CG 4.5Å; P339-I341 HydrophobicContact CB-CD1 4.1Å; P339-I341 HydrophobicContact CB-CG1 4.01Å; P339-I341 HydrophobicContact CG-CD1 3.48Å; P339-I341 VanDerWaalsContact CG-CD1 3.48Å; P339-I341 HydrophobicContact CG-CG1 3.82Å; P339-I341 PolarHBondContact O-N 2.95Å; P339-L347 HydrophobicContact CG-CD1 4.29Å
340N93.8Very high89.7Confident59 Ų5950.1 Ų50.132%0.31628%0.284SS..  trans-73.974.8173.6-174.522.8000111V318 L319 L320 V322V318-N340 HydrophobicContact CG1-CB 3.96Å; L319-N340 VanDerWaalsContact O-CB 3.31Å; L319-N340 WeakPolarHBondContact O-CB 3.18Å; L319-N340 PolarHBondContact O-N 2.78Å; L320-N340 PolarHBondContact O-ND2 2.85Å; L320-N340 VanDerWaalsContact O-ND2 3.11Å; V322-N340 PolarHBondContact O-N 2.95Å
341I91.3Very high90.1Very high17 Ų1749.1 Ų49.19%0.08728%0.275CS..  trans-102.5115.3177-62.4176.8000108.2T323 P339 T346 L347 K350T323-I341 VanDerWaalsContact O-CG1 3.32Å; T323-I341 WeakPolarHBondContact O-CG1 3.42Å; P339-I341 HydrophobicContact CB-CD1 4.1Å; P339-I341 HydrophobicContact CB-CG1 4.01Å; P339-I341 HydrophobicContact CG-CD1 3.48Å; P339-I341 VanDerWaalsContact CG-CD1 3.48Å; P339-I341 HydrophobicContact CG-CG1 3.82Å; P339-I341 PolarHBondContact O-N 2.95Å; I341-T346 HydrophobicContact CG2-CG2 3.94Å; I341-L347 HydrophobicContact CB-CB 4.22Å; I341-L347 HydrophobicContact CB-CD1 4.35Å; I341-L347 HydrophobicContact CD1-CD1 4.48Å; I341-L347 HydrophobicContact CG2-CB 4.2Å; I341-K350 HydrophobicContact CD1-CD 3.6Å
342P87.1Confident90.8Very high120 Ų12049.3 Ų49.378%0.77928%0.275SS*.SBendtrans-67.8-34.7-179.3-22.733.8000113.8A344P342-A344 PolarHBondContact O-N 3.35Å
343D89.8Confident91.8Very high75 Ų7551.7 Ų51.740%0.40128%0.279SS..  trans-77.9116.7-178.5179.358.8000111.3L345 T346 L347D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 2.78Å; D343-T346 PolarHBondContact O-N 3.18Å; D343-T346 WeakPolarHBondContact OD2-CB 3.16Å; D343-T346 PolarHBondContact OD2-N 3.31Å; D343-T346 PolarHBondContact OD2-OG1 3.15Å; D343-L347 WeakPolarHBondContact O-CB 3.29Å; D343-L347 PolarHBondContact O-N 2.76Å
344A87.9Confident92.1Very high75 Ų7548.7 Ų48.762%0.6226%0.262SS*.Hα-helixtrans-64.4-35.1-175.400000112.5P342 K348P342-A344 PolarHBondContact O-N 3.35Å; A344-K348 VanDerWaalsContact O-CB 3.32Å; A344-K348 WeakPolarHBondContact O-CB 3.48Å; A344-K348 PolarHBondContact O-N 2.86Å
345L90.1Very high92.3Very high115 Ų11548.7 Ų48.760%0.60226%0.262SS*.Hα-helixtrans-66.6-50.6178.4-70.9172000110.9D343 L347 K348 E349D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 2.78Å; L345-L347 VanDerWaalsContact C-N 3.3Å; L345-L347 PolarHBondContact O-N 3.06Å; L345-K348 WeakPolarHBondContact O-CB 3.39Å; L345-K348 PolarHBondContact O-N 2.96Å; L345-K348 VanDerWaalsContact O-N 3.13Å; L345-E349 WeakPolarHBondContact O-CG 3.3Å; L345-E349 PolarHBondContact O-N 3.03Å
346T92.3Very high92Very high54 Ų5452.1 Ų52.133%0.33128%0.277SS..Hα-helixtrans-59.4-41.4176.6-58.10000111.4I341 D343 K350I341-T346 HydrophobicContact CG2-CG2 3.94Å; D343-T346 PolarHBondContact O-N 3.18Å; D343-T346 WeakPolarHBondContact OD2-CB 3.16Å; D343-T346 PolarHBondContact OD2-N 3.31Å; D343-T346 PolarHBondContact OD2-OG1 3.15Å; T346-K350 PolarHBondContact O-N 2.96Å
347L92Very high91.2Very high30 Ų3054.2 Ų54.216%0.15729%0.292CS..Hα-helixtrans-63.1-44.1176.1179.961.1000111.3L338 P339 I341 D343 L345 L351L338-L347 HydrophobicContact CB-CD1 4.43Å; L338-L347 HydrophobicContact CD1-CD2 4.42Å; L338-L347 HydrophobicContact CD2-CD1 4.36Å; P339-L347 HydrophobicContact CG-CD1 4.29Å; I341-L347 HydrophobicContact CB-CB 4.22Å; I341-L347 HydrophobicContact CB-CD1 4.35Å; I341-L347 HydrophobicContact CD1-CD1 4.48Å; I341-L347 HydrophobicContact CG2-CB 4.2Å; D343-L347 WeakPolarHBondContact O-CB 3.29Å; D343-L347 PolarHBondContact O-N 2.76Å; L345-L347 VanDerWaalsContact C-N 3.3Å; L345-L347 PolarHBondContact O-N 3.06Å; L347-L351 VanDerWaalsContact O-CB 3.22Å; L347-L351 WeakPolarHBondContact O-CB 3.3Å; L347-L351 PolarHBondContact O-N 2.94Å
348K91.7Very high90Very high56 Ų5654.9 Ų54.924%0.24331%0.305CS..Hα-helixtrans-62.2-47.4177-174.1179.5-173.31750111.4E283 A344 L345 L351 L352E283-K348 PolarHBondContact O-NZ 3.46Å; E283-K348 IonicContact OE2-NZ 3.12Å; E283-K348 PolarHBondContact OE2-NZ 3.09Å; A344-K348 VanDerWaalsContact O-CB 3.32Å; A344-K348 WeakPolarHBondContact O-CB 3.48Å; A344-K348 PolarHBondContact O-N 2.86Å; L345-K348 WeakPolarHBondContact O-CB 3.39Å; L345-K348 PolarHBondContact O-N 2.96Å; L345-K348 VanDerWaalsContact O-N 3.13Å; K348-L351 PolarHBondContact O-N 2.72Å; K348-L352 HydrophobicContact CG-CD1 4.13Å; K348-L352 HydrophobicContact CG-CG 4.45Å; K348-L352 WeakPolarHBondContact O-CB 3.49Å; K348-L352 VanDerWaalsContact O-CG 3.32Å; K348-L352 WeakPolarHBondContact O-CG 3.37Å; K348-L352 PolarHBondContact O-N 3.46Å
349E92.7Very high87.9Confident135 Ų13557.9 Ų57.963%0.63133%0.326SS*.Hα-helixtrans-59.2-49177.8-73.6178.5168.500111.9L345 L351 L352 F353L345-E349 WeakPolarHBondContact O-CG 3.3Å; L345-E349 PolarHBondContact O-N 3.03Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.02Å; E349-L352 PolarHBondContact O-N 3.2Å; E349-F353 VanDerWaalsContact O-CB 3.31Å; E349-F353 WeakPolarHBondContact O-CB 3.45Å; E349-F353 PolarHBondContact O-N 2.97Å
350K94.2Very high85Confident52 Ų5259.5 Ų59.523%0.22634%0.344CS..Hα-helixtrans-64.2-36.3177-74.8-166.7-176.6-1760112.6D324 L326 I341 T346 A354D324-K350 PolarHBondContact O-NZ 2.79Å; L326-K350 HydrophobicContact CD2-CB 4.09Å; L326-K350 HydrophobicContact CD2-CD 4.34Å; L326-K350 HydrophobicContact CD2-CG 4.17Å; I341-K350 HydrophobicContact CD1-CD 3.6Å; T346-K350 PolarHBondContact O-N 2.96Å; K350-A354 WeakPolarHBondContact O-CB 3.4Å; K350-A354 PolarHBondContact O-N 3.3Å
351L94.2Very high82.2Confident4 Ų463.8 Ų63.82%0.02136%0.36CS..Hα-helixtrans-65.9-49.1176.4179.758.8000111.2I280 M284 L292 P327 L336 L338 L347 K348 E349 F353 A354 I355I280-L351 HydrophobicContact CD1-CD2 4.33Å; M284-L351 HydrophobicContact CE-CD2 3.6Å; M284-L351 HydrophobicContact CE-CG 4.28Å; L292-L351 HydrophobicContact CD1-CD1 4.14Å; L292-L351 HydrophobicContact CD1-CD2 4.45Å; P327-L351 HydrophobicContact CB-CD1 3.85Å; P327-L351 HydrophobicContact CG-CB 4.13Å; P327-L351 HydrophobicContact CG-CD1 4.06Å; L336-L351 HydrophobicContact CD1-CD1 4.14Å; L338-L351 HydrophobicContact CD2-CD1 4.32Å; L347-L351 VanDerWaalsContact O-CB 3.22Å; L347-L351 WeakPolarHBondContact O-CB 3.3Å; L347-L351 PolarHBondContact O-N 2.94Å; K348-L351 PolarHBondContact O-N 2.72Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.02Å; L351-F353 VanDerWaalsContact C-N 3.3Å; L351-F353 PolarHBondContact O-N 3Å; L351-A354 PolarHBondContact O-N 3.01Å; L351-I355 HydrophobicContact CD1-CD1 3.84Å; L351-I355 HydrophobicContact CD1-CG1 4.19Å; L351-I355 HydrophobicContact CG-CD1 3.74Å; L351-I355 WeakPolarHBondContact O-CB 3.36Å; L351-I355 WeakPolarHBondContact O-CD1 3.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.27Å; L351-I355 PolarHBondContact O-N 3.49Å
352L93.4Very high79.1Confident27 Ų2770.9 Ų70.914%0.14139%0.393CS..Hα-helixtrans-61.2-41.1176.5-69178.1000111.4M284 E288 K348 E349 I355 Q356M284-L352 HydrophobicContact CE-CD2 4.34Å; E288-L352 HydrophobicContact CB-CD2 4.01Å; E288-L352 HydrophobicContact CG-CD2 3.65Å; E288-L352 WeakPolarHBondContact OE1-CD1 3.28Å; K348-L352 HydrophobicContact CG-CD1 4.13Å; K348-L352 HydrophobicContact CG-CG 4.45Å; K348-L352 WeakPolarHBondContact O-CB 3.49Å; K348-L352 VanDerWaalsContact O-CG 3.32Å; K348-L352 WeakPolarHBondContact O-CG 3.37Å; K348-L352 PolarHBondContact O-N 3.46Å; E349-L352 PolarHBondContact O-N 3.2Å; L352-I355 PolarHBondContact O-N 2.76Å; L352-Q356 VanDerWaalsContact O-CB 3.32Å; L352-Q356 WeakPolarHBondContact O-CB 3.49Å; L352-Q356 WeakPolarHBondContact O-CG 3.41Å; L352-Q356 PolarHBondContact O-N 3.03Å
353F94.1Very high76Confident100 Ų10072.3 Ų72.344%0.43939%0.393SS..Hα-helixtrans-60.2-47.6174.4-176.9-93.9000111.9L326 E349 L351 I355 Q356 S357L326-F353 HydrophobicContact CD1-CD1 3.82Å; L326-F353 HydrophobicContact CD1-CE1 3.82Å; L326-F353 HydrophobicContact CD2-CD1 3.81Å; L326-F353 HydrophobicContact CD2-CE1 4.47Å; L326-F353 HydrophobicContact CG-CD1 4.5Å; E349-F353 VanDerWaalsContact O-CB 3.31Å; E349-F353 WeakPolarHBondContact O-CB 3.45Å; E349-F353 PolarHBondContact O-N 2.97Å; L351-F353 VanDerWaalsContact C-N 3.3Å; L351-F353 PolarHBondContact O-N 3Å; F353-I355 PolarHBondContact O-N 3.15Å; F353-Q356 PolarHBondContact O-N 3.12Å; F353-S357 WeakPolarHBondContact CE1-OG 3.27Å; F353-S357 VanDerWaalsContact O-CB 3.29Å; F353-S357 WeakPolarHBondContact O-CB 3.42Å; F353-S357 PolarHBondContact O-N 3.18Å; F353-S357 PolarHBondContact O-OG 3.1Å
354A92Very high73.2Confident5 Ų577.1 Ų77.14%0.04143%0.43CS..Hα-helixtrans-62.2-42.9178.500000112F295 L326 P327 K350 L351 S358F295-A354 HydrophobicContact CZ-CB 4.39Å; L326-A354 HydrophobicContact CB-CB 4.4Å; P327-A354 HydrophobicContact CB-CB 4.35Å; K350-A354 WeakPolarHBondContact O-CB 3.4Å; K350-A354 PolarHBondContact O-N 3.3Å; L351-A354 PolarHBondContact O-N 3.01Å; A354-S358 WeakPolarHBondContact O-CB 3.27Å; A354-S358 PolarHBondContact O-N 3.34Å; A354-S358 PolarHBondContact O-OG 3.44Å
355I91.1Very high72.4Confident4 Ų477.2 Ų77.22%0.02142%0.421CS..Hα-helixtrans-63.5-46.1177.4-69.4162.8000111R291 L292 F295 L351 L352 F353 S358 S359R291-I355 HydrophobicContact CB-CG2 3.29Å; R291-I355 HydrophobicContact CG-CG2 4.41Å; L292-I355 HydrophobicContact CB-CD1 3.78Å; L292-I355 HydrophobicContact CD1-CD1 3.81Å; L292-I355 HydrophobicContact CD1-CG1 4.44Å; L292-I355 HydrophobicContact CG-CD1 4.36Å; F295-I355 HydrophobicContact CB-CG1 4Å; F295-I355 HydrophobicContact CD1-CG1 4.08Å; F295-I355 HydrophobicContact CG-CG1 3.99Å; L351-I355 HydrophobicContact CD1-CD1 3.84Å; L351-I355 HydrophobicContact CD1-CG1 4.19Å; L351-I355 HydrophobicContact CG-CD1 3.74Å; L351-I355 WeakPolarHBondContact O-CB 3.36Å; L351-I355 WeakPolarHBondContact O-CD1 3.32Å; L351-I355 WeakPolarHBondContact O-CG1 3.27Å; L351-I355 PolarHBondContact O-N 3.49Å; L352-I355 PolarHBondContact O-N 2.76Å; F353-I355 PolarHBondContact O-N 3.15Å; I355-S358 PolarHBondContact O-N 3.35Å; I355-S359 WeakPolarHBondContact O-CB 3.49Å; I355-S359 PolarHBondContact O-N 3.32Å; I355-S359 VanDerWaalsContact O-N 3.11Å; I355-S359 PolarHBondContact O-OG 3.41Å
356Q86.3Confident71.5Confident94 Ų9475.2 Ų75.244%0.43941%0.411SS..Hα-helixtrans-65.7-45.8179.8-73.5172.4600111.2L352 F353 S358 S359 G360L352-Q356 VanDerWaalsContact O-CB 3.32Å; L352-Q356 WeakPolarHBondContact O-CB 3.49Å; L352-Q356 WeakPolarHBondContact O-CG 3.41Å; L352-Q356 PolarHBondContact O-N 3.03Å; F353-Q356 PolarHBondContact O-N 3.12Å; Q356-S358 PolarHBondContact O-N 3.28Å; Q356-S359 WeakPolarHBondContact CA-OG 3.47Å; Q356-S359 PolarHBondContact O-N 3.28Å; Q356-S359 PolarHBondContact O-OG 2.98Å; Q356-G360 PolarHBondContact O-N 3.33Å
357S79.3Confident70.3Confident45 Ų4576.4 Ų76.432%0.31542%0.415SS..Hα-helixtrans-65.4-26.3178-51.80000112.6F353F353-S357 WeakPolarHBondContact CE1-OG 3.27Å; F353-S357 VanDerWaalsContact O-CB 3.29Å; F353-S357 WeakPolarHBondContact O-CB 3.42Å; F353-S357 PolarHBondContact O-N 3.18Å; F353-S357 PolarHBondContact O-OG 3.1Å
358S68Low69.1Low80 Ų8079.1 Ų79.156%0.55943%0.431SS*.Hα-helixtrans-84.1-17.7174.6-54.70000113.1F295 A354 I355 Q356F295-S358 WeakPolarHBondContact CE2-OG 3.44Å; A354-S358 WeakPolarHBondContact O-CB 3.27Å; A354-S358 PolarHBondContact O-N 3.34Å; A354-S358 PolarHBondContact O-OG 3.44Å; I355-S358 PolarHBondContact O-N 3.35Å; Q356-S358 PolarHBondContact O-N 3.28Å
359S51.7Low67.7Low65 Ų6580.6 Ų80.646%0.45544%0.442SS..Hα-helixtrans-87.2-18.6-178.867.70000113.5I355 Q356I355-S359 WeakPolarHBondContact O-CB 3.49Å; I355-S359 PolarHBondContact O-N 3.32Å; I355-S359 VanDerWaalsContact O-N 3.11Å; I355-S359 PolarHBondContact O-OG 3.41Å; Q356-S359 WeakPolarHBondContact CA-OG 3.47Å; Q356-S359 PolarHBondContact O-N 3.28Å; Q356-S359 PolarHBondContact O-OG 2.98Å
360G32.9Very low66Low38 Ų3876.9 Ų76.939%0.39243%0.43SS..SBendtrans-132.6131.3179.700000110.6Q356 E362Q356-G360 PolarHBondContact O-N 3.33Å; G360-E362 PolarHBondContact O-N 3.11Å
361F34.9Very low64Low149 Ų14978.7 Ų78.765%0.65444%0.444SS*.  trans-62.182162.1-77.3-100.3000109.8E28E28-F361 HydrophobicContact CB-CD1 4.44Å; E28-F361 HydrophobicContact CB-CE1 3.46Å; E28-F361 VanDerWaalsContact CB-CE1 3.46Å; E28-F361 HydrophobicContact CB-CZ 3.94Å; E28-F361 HydrophobicContact CG-CE1 4.48Å
362E24.8Very low61.7Low166 Ų16684.5 Ų84.578%0.77648%0.477SS*.  trans-145.3120154.4-70.2-167.9170.400106.9G360G360-E362 PolarHBondContact O-N 3.11Å
363L22.7Very low59Low149 Ų14989.3 Ų89.378%0.7851%0.505SS*.  trans98.464.3-177.8-51.1168.8000115.9
364C30.5Very low55.8Low176 Ų17688.3 Ų88.3100%1.18951%0.511SS*.  trans-1490131.5-91.10000110.5

Retrieved 364 of 364 residues in 477 ms (Link to these results)

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