A0A077ZIY3_TRITR Loading...

PGM PMM III and PGM PMM I domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZIY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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
1M32.6Very low74.5Confident115 Ų11565.7 Ų65.757%0.56733%0.33SS*.  0141.60-145.4177.2-74.300107.3S3 D99 N102 Y106M1-S3 PolarHBondContact O-N 2.79Å; M1-D99 PolarHBondContact N-OD1 3.33Å; M1-N102 HydrophobicContact SD-CB 4.47Å; M1-Y106 HydrophobicContact CE-CD1 4.37Å; M1-Y106 HydrophobicContact CE-CG 4.33Å
2K46.6Very low75.9Confident171 Ų17161.9 Ų61.974%0.74331%0.309SS*.  trans-62.5127.8175.9-75.6-177.8177.8176.90108.1L4K2-L4 CarbonylContact O-C 3.59Å; K2-L4 PolarHBondContact O-N 3.43Å; K2-L4 VanDerWaalsContact O-N 3.08Å
3S55.8Low77.2Confident28 Ų2867.6 Ų67.620%0.19633%0.334CS..SBendtrans-60.2-19.6-171.356.40000115M1 K88M1-S3 PolarHBondContact O-N 2.79Å; S3-K88 VanDerWaalsContact O-CB 3.27Å; S3-K88 WeakPolarHBondContact O-CB 3.06Å
4L61.3Low78.5Confident20 Ų2070.8 Ų70.811%0.10535%0.348CS..SBendtrans-108.1130.7166.2-94.491.9000110.2K2 F6 K88K2-L4 CarbonylContact O-C 3.59Å; K2-L4 PolarHBondContact O-N 3.43Å; K2-L4 VanDerWaalsContact O-N 3.08Å; L4-F6 HydrophobicContact CB-CD2 3.43Å; L4-F6 VanDerWaalsContact CB-CD2 3.43Å; L4-F6 HydrophobicContact CB-CE2 3.15Å; L4-F6 HydrophobicContact CB-CG 4.37Å; L4-F6 HydrophobicContact CB-CZ 3.86Å; L4-F6 HydrophobicContact CD1-CE2 4.31Å; L4-F6 HydrophobicContact CD2-CD2 4.37Å; L4-F6 HydrophobicContact CD2-CE1 3.82Å; L4-F6 HydrophobicContact CD2-CE2 3.63Å; L4-F6 HydrophobicContact CD2-CZ 3.32Å; L4-F6 HydrophobicContact CG-CD2 4.47Å; L4-F6 HydrophobicContact CG-CE2 3.85Å; L4-F6 HydrophobicContact CG-CZ 4.07Å; L4-F6 WeakPolarHBondContact O-CD2 3.26Å; L4-F6 PolarHBondContact O-N 3.39Å; L4-K88 HydrophobicContact CD1-CB 3.88Å; L4-K88 HydrophobicContact CD1-CD 3.36Å; L4-K88 HydrophobicContact CD1-CG 3.57Å; L4-K88 HydrophobicContact CG-CB 3.73Å; L4-K88 HydrophobicContact CG-CD 4.17Å; L4-K88 HydrophobicContact CG-CG 3.79Å
5H76.5Confident79.6Confident84 Ų8478.5 Ų78.539%0.38938%0.379SS..EExtended strand (participates in β ladder)trans-71.8110.8159.8-170.568.6000107.6Y12 Y17 F21 G86 I87H5-Y12 PolarHBondContact O-OH 3.05Å; H5-Y17 PolarHBondContact NE2-OH 3.45Å; H5-Y17 VanDerWaalsContact NE2-OH 3.12Å; H5-F21 HydrophobicContact CB-CE2 4.44Å; H5-F21 HydrophobicContact CB-CZ 3.87Å; H5-G86 WeakPolarHBondContact O-CA 3.46Å; H5-I87 PolarHBondContact O-N 3.01Å
6F84.9Confident80.5Confident47 Ų4777.1 Ų77.121%0.20637%0.373CS..EExtended strand (participates in β ladder)trans-104.1125.8174.8-79.5-83.3000109.9L4 A74 R77 F85L4-F6 HydrophobicContact CB-CD2 3.43Å; L4-F6 VanDerWaalsContact CB-CD2 3.43Å; L4-F6 HydrophobicContact CB-CE2 3.15Å; L4-F6 HydrophobicContact CB-CG 4.37Å; L4-F6 HydrophobicContact CB-CZ 3.86Å; L4-F6 HydrophobicContact CD1-CE2 4.31Å; L4-F6 HydrophobicContact CD2-CD2 4.37Å; L4-F6 HydrophobicContact CD2-CE1 3.82Å; L4-F6 HydrophobicContact CD2-CE2 3.63Å; L4-F6 HydrophobicContact CD2-CZ 3.32Å; L4-F6 HydrophobicContact CG-CD2 4.47Å; L4-F6 HydrophobicContact CG-CE2 3.85Å; L4-F6 HydrophobicContact CG-CZ 4.07Å; L4-F6 WeakPolarHBondContact O-CD2 3.26Å; L4-F6 PolarHBondContact O-N 3.39Å; F6-A74 VanDerWaalsContact CE1-C 3.49Å; F6-A74 VanDerWaalsContact CE1-O 3.29Å; F6-A74 WeakPolarHBondContact CE1-O 3.41Å; F6-R77 VanDerWaalsContact CD1-NH1 3.3Å; F6-R77 VanDerWaalsContact CD2-CZ 3.44Å; F6-R77 VanDerWaalsContact CE1-NH1 3.32Å; F6-F85 VanDerWaalsContact CA-O 3.3Å; F6-F85 WeakPolarHBondContact CA-O 3.45Å
7A90.1Very high81.3Confident12 Ų1275.9 Ų75.910%0.09937%0.365CS..EExtended strand (participates in β ladder)trans-135.9170.3173.600000110.4T11 Y12 L84 F85A7-T11 HydrophobicContact CB-CG2 3.9Å; A7-Y12 HydrophobicContact CB-CD2 4.41Å; A7-Y12 HydrophobicContact CB-CE2 3.7Å; A7-L84 WeakPolarHBondContact O-CA 3.06Å; A7-L84 WeakPolarHBondContact O-CD2 3.41Å; A7-F85 PolarHBondContact N-O 3.3Å; A7-F85 PolarHBondContact O-N 2.93Å; A7-F85 VanDerWaalsContact O-O 3.11Å
8K91.9Very high81.9Confident129 Ų12974.6 Ų74.656%0.56136%0.362SS*.EExtended strand (participates in β ladder)trans-62.1146.7169.7-68.4-176178.3-178.10108.8S10 T11 Y12 G83 L84K8-S10 PolarHBondContact O-N 3.12Å; K8-S10 VanDerWaalsContact O-N 3.16Å; K8-T11 WeakPolarHBondContact O-CA 3.3Å; K8-T11 VanDerWaalsContact O-CB 3.24Å; K8-T11 WeakPolarHBondContact O-CB 3.16Å; K8-T11 PolarHBondContact O-N 3.32Å; K8-Y12 WeakPolarHBondContact O-CD2 3.39Å; K8-G83 WeakPolarHBondContact CA-O 3.33Å; K8-L84 HydrophobicContact CB-CD2 4.5Å; K8-L84 HydrophobicContact CG-CD2 3.91Å
9V92.1Very high82.5Confident25 Ų2574.7 Ų74.715%0.15236%0.362CS..Hα-helixtrans-53.9-36.4174.3170.70000111.3T11 Y12 Q13 G80 G83 F85V9-T11 PolarHBondContact O-N 3Å; V9-Y12 PolarHBondContact O-N 3.42Å; V9-Y12 VanDerWaalsContact O-N 3.08Å; V9-Q13 HydrophobicContact CG1-CG 4.38Å; V9-Q13 WeakPolarHBondContact O-CG 3.47Å; V9-Q13 PolarHBondContact O-N 2.78Å; V9-Q13 VanDerWaalsContact O-N 3.13Å; V9-G80 VanDerWaalsContact CG2-O 3.27Å; V9-G80 WeakPolarHBondContact CG2-O 3.38Å; V9-G83 PolarHBondContact N-O 3.39Å; V9-G83 VanDerWaalsContact N-O 3.1Å; V9-F85 HydrophobicContact CG2-CB 3.83Å; V9-F85 HydrophobicContact CG2-CG 4.5Å
10S93.8Very high83.1Confident57 Ų5773.3 Ų73.340%0.39936%0.356SS..Hα-helixtrans-62.1-23.3174.753.30000114.8K8K8-S10 PolarHBondContact O-N 3.12Å; K8-S10 VanDerWaalsContact O-N 3.16Å
11T93.5Very high83.7Confident35 Ų3570.8 Ų70.822%0.21534%0.344CS..Hα-helixtrans-68.5-44.9171.4-57.20000110.8A7 K8 V9 Q13 Q14 Y17A7-T11 HydrophobicContact CB-CG2 3.9Å; K8-T11 WeakPolarHBondContact O-CA 3.3Å; K8-T11 VanDerWaalsContact O-CB 3.24Å; K8-T11 WeakPolarHBondContact O-CB 3.16Å; K8-T11 PolarHBondContact O-N 3.32Å; V9-T11 PolarHBondContact O-N 3Å; T11-Q13 PolarHBondContact O-N 3.3Å; T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 VanDerWaalsContact O-CG 3.31Å; T11-Q14 WeakPolarHBondContact O-CG 3.29Å; T11-Q14 PolarHBondContact O-N 3.03Å; T11-Y17 HydrophobicContact CG2-CD2 4.31Å; T11-Y17 HydrophobicContact CG2-CE1 4.31Å; T11-Y17 HydrophobicContact CG2-CE2 3.79Å
12Y92.2Very high86.5Confident20 Ų2067.3 Ų67.38%0.07833%0.329CS..Hα-helixtrans-68.8-23.5177.7-65-77.5000113.1H5 A7 K8 V9 Q14 Y17 V18 F85 I87H5-Y12 PolarHBondContact O-OH 3.05Å; A7-Y12 HydrophobicContact CB-CD2 4.41Å; A7-Y12 HydrophobicContact CB-CE2 3.7Å; K8-Y12 WeakPolarHBondContact O-CD2 3.39Å; V9-Y12 PolarHBondContact O-N 3.42Å; V9-Y12 VanDerWaalsContact O-N 3.08Å; Y12-Q14 VanDerWaalsContact C-N 3.25Å; Y12-Q14 PolarHBondContact O-N 3.25Å; Y12-Y17 AromaticContact CD1-CD1 3.8Å; Y12-Y17 HydrophobicContact CD1-CD1 3.8Å; Y12-Y17 AromaticContact CD1-CE1 3.63Å; Y12-Y17 HydrophobicContact CD1-CE1 3.63Å; Y12-Y17 HydrophobicContact CE1-CD1 4.38Å; Y12-Y17 AromaticContact CE1-CE1 3.76Å; Y12-Y17 HydrophobicContact CE1-CE1 3.76Å; Y12-Y17 HydrophobicContact CG-CD1 4.48Å; Y12-Y17 HydrophobicContact CG-CE1 4.45Å; Y12-V18 HydrophobicContact CD1-CG2 4Å; Y12-V18 HydrophobicContact CG-CG2 4.41Å; Y12-V18 VanDerWaalsContact O-CG2 3.31Å; Y12-V18 WeakPolarHBondContact O-CG2 3.29Å; Y12-F85 HydrophobicContact CD2-CB 4.42Å; Y12-F85 HydrophobicContact CE2-CB 4.21Å; Y12-F85 VanDerWaalsContact CE2-O 3.3Å; Y12-F85 WeakPolarHBondContact CE2-O 3.42Å; Y12-F85 PolarHBondContact OH-O 2.76Å; Y12-I87 HydrophobicContact CD1-CD1 4Å; Y12-I87 HydrophobicContact CE1-CD1 3.79Å; Y12-I87 HydrophobicContact CE1-CG1 4.1Å
13Q92.7Very high88.7Confident136 Ų13660.1 Ų60.164%0.63630%0.298SS*.THydrogen-bonded Turntrans-79.2-5.3176.3-69.5177.2-29.500113.7V9 T11V9-Q13 HydrophobicContact CG1-CG 4.38Å; V9-Q13 WeakPolarHBondContact O-CG 3.47Å; V9-Q13 PolarHBondContact O-N 2.78Å; V9-Q13 VanDerWaalsContact O-N 3.13Å; T11-Q13 PolarHBondContact O-N 3.3Å
14Q94.9Very high90.5Very high112 Ų11258.9 Ų58.952%0.52329%0.289SS..SBendtrans-63.9142.6173.5-64.8177.324.100110.1T11 Y12 N16 Y17T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 VanDerWaalsContact O-CG 3.31Å; T11-Q14 WeakPolarHBondContact O-CG 3.29Å; T11-Q14 PolarHBondContact O-N 3.03Å; Y12-Q14 VanDerWaalsContact C-N 3.25Å; Y12-Q14 PolarHBondContact O-N 3.25Å; Q14-N16 PolarHBondContact O-N 3.33Å; Q14-Y17 WeakPolarHBondContact O-CB 3.44Å; Q14-Y17 PolarHBondContact O-N 3.05Å
15K95.3Very high92Very high187 Ų18758.1 Ų58.181%0.81329%0.285SS*.THydrogen-bonded Turntrans-52.1127.4-178.9-176.4179.6178.6-179.20110.5Y17K15-Y17 PolarHBondContact O-N 2.74Å
16N93.9Very high92.7Very high55 Ų5556.5 Ų56.529%0.29428%0.279SS..THydrogen-bonded Turntrans66.83.5178.3-49.6-31.2000115.8Q14 E19 N20 Y115Q14-N16 PolarHBondContact O-N 3.33Å; N16-E19 WeakPolarHBondContact CA-OE2 3.37Å; N16-N20 WeakPolarHBondContact O-CB 3.47Å; N16-N20 VanDerWaalsContact O-CG 3.3Å; N16-N20 PolarHBondContact O-N 3.2Å; N16-N20 VanDerWaalsContact O-N 3.09Å; N16-N20 PolarHBondContact O-ND2 3.44Å; N16-Y115 HydrophobicContact CB-CE1 3.8Å; N16-Y115 PolarHBondContact OD1-OH 3.43Å
17Y93.4Very high92.9Very high58 Ų5855.9 Ų55.923%0.22728%0.278CS..Hα-helixtrans-67.1-51-173.1-174.7-80.8000111.8H5 T11 Y12 Q14 K15 E19 F21H5-Y17 PolarHBondContact NE2-OH 3.45Å; H5-Y17 VanDerWaalsContact NE2-OH 3.12Å; T11-Y17 HydrophobicContact CG2-CD2 4.31Å; T11-Y17 HydrophobicContact CG2-CE1 4.31Å; T11-Y17 HydrophobicContact CG2-CE2 3.79Å; Y12-Y17 AromaticContact CD1-CD1 3.8Å; Y12-Y17 HydrophobicContact CD1-CD1 3.8Å; Y12-Y17 AromaticContact CD1-CE1 3.63Å; Y12-Y17 HydrophobicContact CD1-CE1 3.63Å; Y12-Y17 HydrophobicContact CE1-CD1 4.38Å; Y12-Y17 AromaticContact CE1-CE1 3.76Å; Y12-Y17 HydrophobicContact CE1-CE1 3.76Å; Y12-Y17 HydrophobicContact CG-CD1 4.48Å; Y12-Y17 HydrophobicContact CG-CE1 4.45Å; Q14-Y17 WeakPolarHBondContact O-CB 3.44Å; Q14-Y17 PolarHBondContact O-N 3.05Å; K15-Y17 PolarHBondContact O-N 2.74Å; Y17-E19 VanDerWaalsContact C-N 3.34Å; Y17-E19 PolarHBondContact O-N 2.99Å; Y17-F21 WeakPolarHBondContact O-CB 3.47Å; Y17-F21 PolarHBondContact O-N 2.68Å
18V93.5Very high92.9Very high52 Ų5255.3 Ų55.332%0.31527%0.273SS..Hα-helixtrans-65.9-40-178.61700000110.8Y12 F21 V22Y12-V18 HydrophobicContact CD1-CG2 4Å; Y12-V18 HydrophobicContact CG-CG2 4.41Å; Y12-V18 VanDerWaalsContact O-CG2 3.31Å; Y12-V18 WeakPolarHBondContact O-CG2 3.29Å; V18-F21 PolarHBondContact O-N 3.41Å; V18-V22 HydrophobicContact CG1-CG2 4.13Å; V18-V22 WeakPolarHBondContact O-CB 3.32Å; V18-V22 WeakPolarHBondContact O-CG2 3.14Å; V18-V22 PolarHBondContact O-N 3.26Å
19E93.3Very high92.7Very high76 Ų7650.3 Ų50.336%0.35526%0.258SS..Hα-helixtrans-63-49.1-180-61.982.6172.400111.2N16 Y17 F21 Q23 Y115 T117N16-E19 WeakPolarHBondContact CA-OE2 3.37Å; Y17-E19 VanDerWaalsContact C-N 3.34Å; Y17-E19 PolarHBondContact O-N 2.99Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.14Å; E19-Q23 WeakPolarHBondContact O-CB 3.45Å; E19-Q23 PolarHBondContact O-N 3.35Å; E19-Y115 HydrophobicContact CB-CD1 4.27Å; E19-Y115 HydrophobicContact CB-CD2 3.54Å; E19-Y115 HydrophobicContact CB-CE1 4.29Å; E19-Y115 HydrophobicContact CB-CE2 3.57Å; E19-Y115 HydrophobicContact CB-CG 3.9Å; E19-Y115 HydrophobicContact CG-CD2 4.22Å; E19-Y115 HydrophobicContact CG-CE2 3.85Å; E19-T117 HydrophobicContact CB-CG2 4.49Å; E19-T117 HydrophobicContact CG-CG2 3.98Å
20N94.4Very high92.1Very high47 Ų4752.3 Ų52.325%0.25127%0.268SS..Hα-helixtrans-59.8-44173.8-77.4-43.8000111.3N16 Q23 C24 I112 Y115N16-N20 WeakPolarHBondContact O-CB 3.47Å; N16-N20 VanDerWaalsContact O-CG 3.3Å; N16-N20 PolarHBondContact O-N 3.2Å; N16-N20 VanDerWaalsContact O-N 3.09Å; N16-N20 PolarHBondContact O-ND2 3.44Å; N20-Q23 PolarHBondContact O-N 2.59Å; N20-C24 PolarHBondContact O-N 2.97Å; N20-C24 PolarHBondContact O-SG 2.71Å; N20-I112 HydrophobicContact CB-CD1 4.3Å; N20-Y115 VanDerWaalsContact OD1-CD1 3.31Å; N20-Y115 WeakPolarHBondContact OD1-CD1 3.44Å
21F93.9Very high91Very high21 Ų2151.7 Ų51.79%0.09227%0.266CS..Hα-helixtrans-65.4-47-177.7-167.2-110.9000111.9H5 Y17 V18 E19 Q23 C24 L25 I87 T109H5-F21 HydrophobicContact CB-CE2 4.44Å; H5-F21 HydrophobicContact CB-CZ 3.87Å; Y17-F21 WeakPolarHBondContact O-CB 3.47Å; Y17-F21 PolarHBondContact O-N 2.68Å; V18-F21 PolarHBondContact O-N 3.41Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.14Å; F21-Q23 PolarHBondContact O-N 3.32Å; F21-C24 WeakPolarHBondContact O-CB 3.08Å; F21-C24 PolarHBondContact O-N 2.96Å; F21-L25 HydrophobicContact CD1-CD1 3.93Å; F21-L25 HydrophobicContact CD1-CG 4.2Å; F21-L25 HydrophobicContact CE1-CD1 3.77Å; F21-L25 HydrophobicContact CE1-CD2 4.01Å; F21-L25 HydrophobicContact CE1-CG 4Å; F21-L25 HydrophobicContact CZ-CD2 4.07Å; F21-L25 HydrophobicContact CZ-CG 4.43Å; F21-L25 WeakPolarHBondContact O-CG 3.32Å; F21-L25 PolarHBondContact O-N 3.4Å; F21-I87 HydrophobicContact CD1-CB 4.14Å; F21-I87 HydrophobicContact CD1-CD1 4.2Å; F21-I87 HydrophobicContact CD1-CG2 4.24Å; F21-I87 HydrophobicContact CE1-CB 3.76Å; F21-I87 HydrophobicContact CE1-CG2 3.99Å; F21-T109 HydrophobicContact CD2-CG2 4.09Å; F21-T109 HydrophobicContact CE2-CG2 4.33Å
22V93.2Very high89.8Confident42 Ų4252.6 Ų52.626%0.25528%0.282SS..Hα-helixtrans-63.5-40.8177.6172.90000111.2V18 C24 L25 L26 I70V18-V22 HydrophobicContact CG1-CG2 4.13Å; V18-V22 WeakPolarHBondContact O-CB 3.32Å; V18-V22 WeakPolarHBondContact O-CG2 3.14Å; V18-V22 PolarHBondContact O-N 3.26Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 2.9Å; V22-L25 WeakPolarHBondContact O-CB 3.23Å; V22-L25 PolarHBondContact O-N 2.56Å; V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.35Å; V22-L26 WeakPolarHBondContact O-CG 3.25Å; V22-L26 PolarHBondContact O-N 2.91Å; V22-I70 HydrophobicContact CG1-CD1 4.15Å
23Q92Very high88.9Confident20 Ų2055.1 Ų55.19%0.09331%0.314CS..Hα-helixtrans-59-44.7174.3-172.46869.300111.3E19 N20 F21 L25 L26 D27 I112E19-Q23 WeakPolarHBondContact O-CB 3.45Å; E19-Q23 PolarHBondContact O-N 3.35Å; N20-Q23 PolarHBondContact O-N 2.59Å; F21-Q23 PolarHBondContact O-N 3.32Å; Q23-L25 PolarHBondContact O-N 2.83Å; Q23-L26 PolarHBondContact O-N 3.08Å; Q23-D27 PolarHBondContact NE2-OD1 3.06Å; Q23-D27 WeakPolarHBondContact O-CB 3.17Å; Q23-D27 VanDerWaalsContact O-CG 3.26Å; Q23-D27 PolarHBondContact O-N 3.39Å; Q23-I112 HydrophobicContact CB-CD1 3.8Å; Q23-I112 HydrophobicContact CG-CD1 3.85Å
24C93.2Very high88Confident2 Ų251 Ų511%0.01429%0.294CS..Hα-helixtrans-63.9-36.6175.1-70.30000113.2N20 F21 V22 G28 I105 L108 T109N20-C24 PolarHBondContact O-N 2.97Å; N20-C24 PolarHBondContact O-SG 2.71Å; F21-C24 WeakPolarHBondContact O-CB 3.08Å; F21-C24 PolarHBondContact O-N 2.96Å; V22-C24 VanDerWaalsContact C-N 3.32Å; V22-C24 PolarHBondContact O-N 2.9Å; C24-G28 WeakPolarHBondContact O-CA 3.36Å; C24-G28 PolarHBondContact O-N 3.35Å; C24-I105 HydrophobicContact CB-CG2 4.41Å; C24-L108 HydrophobicContact CB-CB 4.07Å; C24-T109 HydrophobicContact CB-CG2 3.89Å
25L93.1Very high86.9Confident4 Ų454.4 Ų54.42%0.02131%0.31CS..Hα-helixtrans-62.6-48.2175.2-70176.9000111.1F21 V22 Q23 G29 I70 I87 L89 I105F21-L25 HydrophobicContact CD1-CD1 3.93Å; F21-L25 HydrophobicContact CD1-CG 4.2Å; F21-L25 HydrophobicContact CE1-CD1 3.77Å; F21-L25 HydrophobicContact CE1-CD2 4.01Å; F21-L25 HydrophobicContact CE1-CG 4Å; F21-L25 HydrophobicContact CZ-CD2 4.07Å; F21-L25 HydrophobicContact CZ-CG 4.43Å; F21-L25 WeakPolarHBondContact O-CG 3.32Å; F21-L25 PolarHBondContact O-N 3.4Å; V22-L25 WeakPolarHBondContact O-CB 3.23Å; V22-L25 PolarHBondContact O-N 2.56Å; Q23-L25 PolarHBondContact O-N 2.83Å; L25-G29 WeakPolarHBondContact O-CA 3.35Å; L25-G29 PolarHBondContact O-N 3.48Å; L25-I70 HydrophobicContact CD1-CG2 4.44Å; L25-I87 HydrophobicContact CD1-CG2 3.5Å; L25-L89 HydrophobicContact CD2-CB 4.38Å; L25-I105 HydrophobicContact CD2-CD1 3.88Å; L25-I105 HydrophobicContact CD2-CG1 4.49Å; L25-I105 HydrophobicContact CD2-CG2 3.91Å
26L91.5Very high86Confident49 Ų4949.9 Ų49.926%0.25732%0.317SS..Hα-helixtrans-63.8-47.6179.7-68.6175.4000111.3V22 Q23 L30 L39 I70V22-L26 HydrophobicContact CG1-CD1 4.11Å; V22-L26 HydrophobicContact CG1-CG 4.35Å; V22-L26 WeakPolarHBondContact O-CG 3.25Å; V22-L26 PolarHBondContact O-N 2.91Å; Q23-L26 PolarHBondContact O-N 3.08Å; L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.49Å; L26-L39 HydrophobicContact CB-CD2 3.62Å; L26-L39 HydrophobicContact CD1-CD2 4.3Å; L26-L39 HydrophobicContact CG-CD2 4.37Å; L26-I70 HydrophobicContact CD2-CD1 4.35Å
27D89.5Confident85.3Confident35 Ų3550 Ų5019%0.18733%0.325CS..Hα-helixtrans-67.4-40.3-179.6-73.18.8000112.1Q23 K34 L108Q23-D27 PolarHBondContact NE2-OD1 3.06Å; Q23-D27 WeakPolarHBondContact O-CB 3.17Å; Q23-D27 VanDerWaalsContact O-CG 3.26Å; Q23-D27 PolarHBondContact O-N 3.39Å; D27-K34 WeakPolarHBondContact OD1-CD 3.4Å; D27-K34 IonicContact OD1-NZ 2.78Å; D27-K34 PolarHBondContact OD1-NZ 3.37Å; D27-K34 IonicContact OD2-NZ 2.84Å; D27-K34 PolarHBondContact OD2-NZ 3.44Å; D27-L108 HydrophobicContact CB-CD1 3.79Å
28G89.9Confident84.5Confident0 Ų052.9 Ų52.90%035%0.349CS..Hα-helixtrans-73.6-36.4179.700000113.3C24 A31 R104C24-G28 WeakPolarHBondContact O-CA 3.36Å; C24-G28 PolarHBondContact O-N 3.35Å; G28-A31 PolarHBondContact O-N 3.11Å; G28-R104 WeakPolarHBondContact O-CD 3.29Å; G28-R104 PolarHBondContact O-NH1 3.37Å
29G88Confident83.9Confident24 Ų2452.9 Ų52.925%0.24735%0.347CS..Hα-helixtrans-66.9-36.8-178.800000114L25 A31 L89L25-G29 WeakPolarHBondContact O-CA 3.35Å; L25-G29 PolarHBondContact O-N 3.48Å; G29-A31 PolarHBondContact O-N 3.48Å; G29-L89 VanDerWaalsContact CA-CD2 3.43Å
30L78.6Confident83.4Confident67 Ų6753.5 Ų53.535%0.35136%0.356SS..THydrogen-bonded Turntrans-80.8-0.6179.1-64.8171.6000114.1L26 G32 G33 L39L26-L30 WeakPolarHBondContact O-CG 3.25Å; L26-L30 PolarHBondContact O-N 3.49Å; L30-G32 PolarHBondContact O-N 2.96Å; L30-G33 PolarHBondContact O-N 3.45Å; L30-L39 HydrophobicContact CD1-CD1 3.24Å; L30-L39 HydrophobicContact CD1-CD2 3.58Å; L30-L39 HydrophobicContact CD1-CG 3.96Å
31A72.2Confident83Confident44 Ų4453.6 Ų53.636%0.36436%0.357SS..G310 helixtrans52.3-131.3-179.500000113.1G28 G29 G33G28-A31 PolarHBondContact O-N 3.11Å; G29-A31 PolarHBondContact O-N 3.48Å; A31-G33 VanDerWaalsContact C-N 3.25Å; A31-G33 PolarHBondContact O-N 3.18Å
32G67.8Low82.9Confident53 Ų5356.4 Ų56.455%0.54638%0.38SS..G310 helixtrans-76.1-7.4179.600000114.4L30 K34 Q35L30-G32 PolarHBondContact O-N 2.96Å; G32-K34 PolarHBondContact O-N 2.88Å; G32-K34 VanDerWaalsContact O-N 3.07Å; G32-Q35 PolarHBondContact O-N 3.29Å; G32-Q35 VanDerWaalsContact O-N 3.12Å
33G73.4Confident83Confident73 Ų7356.7 Ų56.775%0.75338%0.382SS*.G310 helixtrans-63.4-17.1-175.300000114.6L30 A31L30-G33 PolarHBondContact O-N 3.45Å; A31-G33 VanDerWaalsContact C-N 3.25Å; A31-G33 PolarHBondContact O-N 3.18Å
34K73Confident83.1Confident50 Ų5057.8 Ų57.822%0.21739%0.39CS..G310 helixtrans-92.9-13.5178-172.2-176.2171.8-175.50113.8D27 G32 G36 A37 L39D27-K34 WeakPolarHBondContact OD1-CD 3.4Å; D27-K34 IonicContact OD1-NZ 2.78Å; D27-K34 PolarHBondContact OD1-NZ 3.37Å; D27-K34 IonicContact OD2-NZ 2.84Å; D27-K34 PolarHBondContact OD2-NZ 3.44Å; G32-K34 PolarHBondContact O-N 2.88Å; G32-K34 VanDerWaalsContact O-N 3.07Å; K34-G36 PolarHBondContact O-N 3.15Å; K34-A37 WeakPolarHBondContact CG-O 3.42Å; K34-A37 WeakPolarHBondContact O-CA 3.4Å; K34-A37 PolarHBondContact O-N 3.01Å; K34-L39 HydrophobicContact CD-CB 4.11Å
35Q71.8Confident83.4Confident184 Ų18460.1 Ų60.186%0.8640%0.401SS*.THydrogen-bonded Turntrans-57.3116.9-167.3-170.2172.9-100112.1G32G32-Q35 PolarHBondContact O-N 3.29Å; G32-Q35 VanDerWaalsContact O-N 3.12Å
36G77.7Confident83.5Confident92 Ų9262.2 Ų62.295%0.94841%0.412SS*.THydrogen-bonded Turntrans816-176.300000115.8K34K34-G36 PolarHBondContact O-N 3.15Å
37A77.8Confident83.7Confident56 Ų5659.9 Ų59.946%0.46340%0.4SS..SBendtrans-123.4157.4-179.300000112.4K34K34-A37 WeakPolarHBondContact CG-O 3.42Å; K34-A37 WeakPolarHBondContact O-CA 3.4Å; K34-A37 PolarHBondContact O-N 3.01Å
38T77.3Confident84Confident120 Ų12060.2 Ų60.274%0.73640%0.4SS*.  trans-89.5130.1169.6-59.40000109V40T38-V40 PolarHBondContact O-N 3.48Å
39L80.7Confident84.2Confident51 Ų5166.4 Ų66.427%0.26743%0.427SS..  trans-74.1124.6174.5174.359000109.9L26 L30 K34L26-L39 HydrophobicContact CB-CD2 3.62Å; L26-L39 HydrophobicContact CD1-CD2 4.3Å; L26-L39 HydrophobicContact CG-CD2 4.37Å; L30-L39 HydrophobicContact CD1-CD1 3.24Å; L30-L39 HydrophobicContact CD1-CD2 3.58Å; L30-L39 HydrophobicContact CD1-CG 3.96Å; K34-L39 HydrophobicContact CD-CB 4.11Å
40V81.9Confident84.4Confident90 Ų9067.4 Ų67.455%0.54544%0.438SS..  trans-116.8119.1169.4-1760000108.4T38 S42T38-V40 PolarHBondContact O-N 3.48Å; V40-S42 PolarHBondContact O-N 3.3Å
41V87.6Confident85.1Confident48 Ų4866.8 Ų66.829%0.29144%0.436SS..  trans-81.1108.9173176.70000108V44 M141V41-V44 HydrophobicContact CG1-CG2 3.64Å; V41-M141 HydrophobicContact CB-CE 3.8Å; V41-M141 HydrophobicContact CG1-CE 3.98Å; V41-M141 WeakPolarHBondContact O-CE 3.47Å
42S90.8Very high86.1Confident80 Ų8066.7 Ų66.756%0.55943%0.429SS*.  trans-79.7-36.1-175.765.30000112.9V40 R142V40-S42 PolarHBondContact O-N 3.3Å; S42-R142 PolarHBondContact O-N 3.38Å
43T95Very high87.3Confident49 Ų4964.8 Ų64.830%0.30141%0.407SS..EExtended strand (participates in β ladder)trans-139.9137.1-175.9-55.90000110.6M45 R142 I144T43-M45 HydrophobicContact CG2-CG 4.37Å; T43-R142 CarbonylContact C-O 3.59Å; T43-R142 VanDerWaalsContact CA-O 3.24Å; T43-R142 WeakPolarHBondContact CA-O 3.42Å; T43-R142 HydrophobicContact CG2-CB 4.17Å; T43-I144 HydrophobicContact CG2-CD1 3.85Å; T43-I144 HydrophobicContact CG2-CG1 4.22Å
44V95.7Very high88.4Confident42 Ų4261.5 Ų61.526%0.25537%0.372SS..EExtended strand (participates in β ladder)trans-122.7126.4169.7-175.30000108.6V41 I46 M141 R142 I143 I144V41-V44 HydrophobicContact CG1-CG2 3.64Å; V44-I46 HydrophobicContact CG1-CD1 3.83Å; V44-I46 HydrophobicContact CG1-CG1 3.69Å; V44-M141 HydrophobicContact CG2-CE 4.44Å; V44-M141 HydrophobicContact CG2-CG 4.38Å; V44-M141 HydrophobicContact CG2-SD 3.64Å; V44-R142 PolarHBondContact N-O 3.19Å; V44-I143 HydrophobicContact CB-CD1 3.86Å; V44-I143 HydrophobicContact CG2-CD1 4.21Å; V44-I143 WeakPolarHBondContact O-CA 3.48Å; V44-I144 PolarHBondContact O-N 3.38Å
45M97.5Very high89.5Confident52 Ų5259.1 Ų59.126%0.25636%0.362SS..EExtended strand (participates in β ladder)trans-103.6130.8174.2-58-168.964.200109.6T43 H64 T66 I144 F146T43-M45 HydrophobicContact CG2-CG 4.37Å; M45-H64 HydrophobicContact CE-CB 4.03Å; M45-H64 VanDerWaalsContact CE-CG 3.47Å; M45-H64 HydrophobicContact SD-CB 3.67Å; M45-T66 HydrophobicContact SD-CG2 3.89Å; M45-I144 WeakPolarHBondContact CA-O 3.37Å; M45-I144 HydrophobicContact CE-CB 4.47Å; M45-I144 HydrophobicContact CE-CG2 4.1Å; M45-I144 HydrophobicContact CG-CB 4.16Å; M45-I144 HydrophobicContact CG-CD1 4.27Å; M45-F146 HydrophobicContact CB-CD1 4.46Å; M45-F146 HydrophobicContact CB-CE1 4.06Å; M45-F146 HydrophobicContact CE-CD1 4.27Å; M45-F146 HydrophobicContact CE-CE1 4.37Å
46I96.6Very high90.6Very high48 Ų4850.7 Ų50.725%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-138.7135.4-175.9-50-178.2000109.3V44 L125 I144 V145 F146V44-I46 HydrophobicContact CG1-CD1 3.83Å; V44-I46 HydrophobicContact CG1-CG1 3.69Å; I46-L125 HydrophobicContact CB-CD2 4.4Å; I46-L125 HydrophobicContact CD1-CD2 4.01Å; I46-L125 HydrophobicContact CG2-CD2 4.16Å; I46-I144 PolarHBondContact N-O 3.49Å; I46-V145 VanDerWaalsContact O-CA 3.28Å; I46-V145 WeakPolarHBondContact O-CA 3.39Å; I46-F146 VanDerWaalsContact O-CD1 3.26Å; I46-F146 WeakPolarHBondContact O-CD1 3.3Å; I46-F146 PolarHBondContact O-N 3.35Å
47G95.8Very high91.5Very high0 Ų047.5 Ų47.50%028%0.284CS..EExtended strand (participates in β ladder)trans-63.1150.7170.100000111.6F49 G50 M52 F146G47-F49 PolarHBondContact O-N 3.45Å; G47-G50 WeakPolarHBondContact O-CA 3.14Å; G47-G50 PolarHBondContact O-N 3.22Å; G47-M52 PolarHBondContact N-SD 3.31Å; G47-F146 CarbonylContact C-O 3.56Å; G47-F146 WeakPolarHBondContact CA-O 3.4Å
48Q94.9Very high92.5Very high41 Ų4144.8 Ų44.819%0.19226%0.262CS..G310 helixtrans-50.2134.7177.8-161.5-173.118.400111.1G50 V51 N126 V128 V145 F146Q48-G50 PolarHBondContact O-N 3.17Å; Q48-V51 PolarHBondContact O-N 3.13Å; Q48-N126 PolarHBondContact NE2-O 2.75Å; Q48-V128 HydrophobicContact CB-CG2 4.43Å; Q48-V128 HydrophobicContact CG-CG2 4.28Å; Q48-V145 HydrophobicContact CB-CG1 4.44Å; Q48-F146 PolarHBondContact N-O 3.09Å
49F93.7Very high93.4Very high131 Ų13139.5 Ų39.558%0.57523%0.229SC*.G310 helixtrans62.310.9-173.1-51.9-77.5000115.6G47 V51 L125 N126G47-F49 PolarHBondContact O-N 3.45Å; F49-V51 HydrophobicContact CB-CG2 4.4Å; F49-V51 PolarHBondContact O-N 3.48Å; F49-L125 PolarHBondContact N-O 3.41Å; F49-N126 HydrophobicContact CD1-CB 3.9Å; F49-N126 HydrophobicContact CE1-CB 3.31Å; F49-N126 HydrophobicContact CZ-CB 3.98Å
50G92.9Very high94.2Very high45 Ų4537.6 Ų37.646%0.46422%0.221SC..G310 helixtrans73.714.1-17400000113.7G47 Q48G47-G50 WeakPolarHBondContact O-CA 3.14Å; G47-G50 PolarHBondContact O-N 3.22Å; Q48-G50 PolarHBondContact O-N 3.17Å
51V92.3Very high95Very high53 Ų5333.6 Ų33.632%0.32120%0.196SC..  trans-108.4123.5-175.2-177.90000110.8Q48 F49 S148 P205Q48-V51 PolarHBondContact O-N 3.13Å; F49-V51 HydrophobicContact CB-CG2 4.4Å; F49-V51 PolarHBondContact O-N 3.48Å; V51-S148 PolarHBondContact O-OG 3.31Å; V51-P205 HydrophobicContact CG1-CB 4.02Å; V51-P205 HydrophobicContact CG1-CG 3.76Å; V51-P205 HydrophobicContact CG2-CB 4.23Å; V51-P205 HydrophobicContact CG2-CG 4.45Å
52M93.9Very high95.5Very high42 Ų4235.1 Ų35.121%0.20720%0.197CC..  trans-149.9146.4175.5-59.6-178.663.500109.6G47 A56 I57 A60 F146G47-M52 PolarHBondContact N-SD 3.31Å; M52-A56 HydrophobicContact CE-CB 4.37Å; M52-I57 HydrophobicContact CB-CD1 4.07Å; M52-I57 HydrophobicContact CB-CG1 3.67Å; M52-I57 HydrophobicContact CE-CB 4.39Å; M52-I57 HydrophobicContact CE-CG1 3.75Å; M52-I57 HydrophobicContact CG-CG1 4.41Å; M52-I57 HydrophobicContact SD-CG1 3.95Å; M52-A60 HydrophobicContact CE-CB 4.15Å; M52-F146 HydrophobicContact CE-CE1 4.34Å; M52-F146 HydrophobicContact CE-CE2 3.94Å; M52-F146 HydrophobicContact CE-CZ 3.4Å; M52-F146 HydrophobicContact SD-CE1 4.26Å; M52-F146 HydrophobicContact SD-CZ 3.86Å
53T93.9Very high95.8Very high14 Ų1436.1 Ų36.19%0.08620%0.196CC..  trans-76.2152.8166.259.40000109.9A56 I57 F190 D242T53-A56 WeakPolarHBondContact O-CB 3.47Å; T53-A56 PolarHBondContact O-N 3.22Å; T53-A56 WeakPolarHBondContact OG1-CB 3.35Å; T53-A56 PolarHBondContact OG1-N 2.83Å; T53-I57 WeakPolarHBondContact O-CG1 3.46Å; T53-I57 PolarHBondContact O-N 2.94Å; T53-F190 HydrophobicContact CG2-CE1 3.52Å; T53-F190 HydrophobicContact CG2-CZ 3.96Å; T53-D242 WeakPolarHBondContact CB-O 3.25Å
54T94.9Very high95.9Very high4 Ų437.4 Ų37.43%0.02520%0.198CC..Hα-helixtrans-57.2-42.9177.8-570000113.1A56 I57 S58 D242 T244 E341T54-A56 VanDerWaalsContact C-N 3.31Å; T54-A56 PolarHBondContact O-N 2.85Å; T54-I57 PolarHBondContact O-N 3.04Å; T54-S58 PolarHBondContact O-N 3.39Å; T54-D242 PolarHBondContact N-O 3.48Å; T54-T244 VanDerWaalsContact CB-CG2 3.46Å; T54-T244 HydrophobicContact CG2-CG2 3.83Å; T54-E341 HydrophobicContact CG2-CB 4.2Å; T54-E341 HydrophobicContact CG2-CG 3.67Å
55P96Very high95.9Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-62.7-34.6173.422.7-34.1000113S58 L59 Y152 D242 V339 D343P55-S58 PolarHBondContact O-N 2.88Å; P55-L59 WeakPolarHBondContact O-CB 3.47Å; P55-L59 PolarHBondContact O-N 3.48Å; P55-Y152 HydrophobicContact CB-CE2 4.19Å; P55-D242 WeakPolarHBondContact CD-O 3.25Å; P55-V339 HydrophobicContact CB-CG2 4.36Å; P55-D343 HydrophobicContact CB-CB 4.15Å
56A96.3Very high95.7Very high6 Ų645.2 Ų45.25%0.0522%0.224CC..Hα-helixtrans-67.4-34.9174.800000112.4M52 T53 T54 A60 Y152M52-A56 HydrophobicContact CE-CB 4.37Å; T53-A56 WeakPolarHBondContact O-CB 3.47Å; T53-A56 PolarHBondContact O-N 3.22Å; T53-A56 WeakPolarHBondContact OG1-CB 3.35Å; T53-A56 PolarHBondContact OG1-N 2.83Å; T54-A56 VanDerWaalsContact C-N 3.31Å; T54-A56 PolarHBondContact O-N 2.85Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 3.48Å; A56-Y152 HydrophobicContact CB-CD2 4.1Å; A56-Y152 HydrophobicContact CB-CG 4.22Å
57I96.7Very high95.6Very high25 Ų2549.6 Ų49.613%0.12825%0.248CC..Hα-helixtrans-65.7-47.7172.5-63.4168.6000110.3M52 T53 T54 L59 A60 I61 V71M52-I57 HydrophobicContact CB-CD1 4.07Å; M52-I57 HydrophobicContact CB-CG1 3.67Å; M52-I57 HydrophobicContact CE-CB 4.39Å; M52-I57 HydrophobicContact CE-CG1 3.75Å; M52-I57 HydrophobicContact CG-CG1 4.41Å; M52-I57 HydrophobicContact SD-CG1 3.95Å; T53-I57 WeakPolarHBondContact O-CG1 3.46Å; T53-I57 PolarHBondContact O-N 2.94Å; T54-I57 PolarHBondContact O-N 3.04Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 3.26Å; I57-A60 PolarHBondContact O-N 3.44Å; I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.37Å; I57-I61 WeakPolarHBondContact O-CG1 3.42Å; I57-I61 PolarHBondContact O-N 3.43Å; I57-V71 HydrophobicContact CB-CG2 4.46Å; I57-V71 HydrophobicContact CD1-CB 4.36Å; I57-V71 HydrophobicContact CD1-CG1 3.98Å; I57-V71 HydrophobicContact CD1-CG2 3.86Å; I57-V71 HydrophobicContact CG2-CG2 3.91Å
58S97.4Very high95.5Very high0 Ų050.8 Ų50.80%026%0.26CS..Hα-helixtrans-56.9-43.5177.7-1710000112.1T54 P55 R62 G94 R340T54-S58 PolarHBondContact O-N 3.39Å; P55-S58 PolarHBondContact O-N 2.88Å; S58-R62 WeakPolarHBondContact O-CD 3.3Å; S58-R62 WeakPolarHBondContact O-CG 3.47Å; S58-R62 PolarHBondContact O-N 3Å; S58-G94 VanDerWaalsContact CB-O 3.32Å; S58-G94 WeakPolarHBondContact CB-O 3.28Å; S58-G94 PolarHBondContact OG-O 3.32Å; S58-R340 PolarHBondContact OG-N 3.1Å
59L97.6Very high95.5Very high8 Ų849.6 Ų49.64%0.04226%0.259CS..Hα-helixtrans-63.4-51.2175.2-177.666000111.5P55 I57 I61 R62 D63 Y152 C155 V339P55-L59 WeakPolarHBondContact O-CB 3.47Å; P55-L59 PolarHBondContact O-N 3.48Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 3.26Å; L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 PolarHBondContact O-N 3.22Å; L59-R62 WeakPolarHBondContact O-CB 3.27Å; L59-R62 PolarHBondContact O-N 2.91Å; L59-D63 PolarHBondContact O-N 2.89Å; L59-Y152 HydrophobicContact CD2-CD2 4.03Å; L59-C155 HydrophobicContact CD1-CB 4.33Å; L59-C155 HydrophobicContact CD2-CB 3.51Å; L59-V339 HydrophobicContact CB-CG1 3.8Å; L59-V339 HydrophobicContact CD1-CG1 4.32Å
60A97.8Very high95.5Very high12 Ų1246.4 Ų46.410%0.09925%0.248CC..Hα-helixtrans-60-39.8-177.700000112.4M52 A56 I57 R62 H64 F146M52-A60 HydrophobicContact CE-CB 4.15Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 3.48Å; I57-A60 PolarHBondContact O-N 3.44Å; A60-R62 PolarHBondContact O-N 3.22Å; A60-H64 WeakPolarHBondContact O-CB 3.44Å; A60-H64 PolarHBondContact O-CD2 2.98Å; A60-H64 VanDerWaalsContact O-CD2 3.25Å; A60-H64 PolarHBondContact O-N 3.32Å; A60-F146 HydrophobicContact CB-CE2 4.12Å; A60-F146 HydrophobicContact CB-CZ 3.76Å
61I97.6Very high95.6Very high5 Ų544.4 Ų44.43%0.02623%0.226CC..Hα-helixtrans-56.3-42.7175.2-72.6166.6000111I57 L59 R65 T66 C90 L91 S92I57-I61 HydrophobicContact CG2-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CG1 4.37Å; I57-I61 WeakPolarHBondContact O-CG1 3.42Å; I57-I61 PolarHBondContact O-N 3.43Å; L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 PolarHBondContact O-N 3.22Å; I61-R65 CarbonylContact O-C 3.36Å; I61-R65 VanDerWaalsContact O-CA 3.26Å; I61-R65 WeakPolarHBondContact O-CA 3.4Å; I61-R65 PolarHBondContact O-N 2.88Å; I61-T66 WeakPolarHBondContact CA-OG1 3.45Å; I61-T66 WeakPolarHBondContact CG2-OG1 3.36Å; I61-T66 PolarHBondContact O-N 2.92Å; I61-C90 HydrophobicContact CD1-CB 3.54Å; I61-L91 WeakPolarHBondContact CG2-O 3.28Å; I61-S92 WeakPolarHBondContact CG2-O 3.39Å
62R97.1Very high95.5Very high81 Ų8146.6 Ų46.631%0.30624%0.235SC..Hα-helixtrans-76.2-46.6-177-66167.363.578.43.5111.9S58 L59 A60 R65 N93S58-R62 WeakPolarHBondContact O-CD 3.3Å; S58-R62 WeakPolarHBondContact O-CG 3.47Å; S58-R62 PolarHBondContact O-N 3Å; L59-R62 WeakPolarHBondContact O-CB 3.27Å; L59-R62 PolarHBondContact O-N 2.91Å; A60-R62 PolarHBondContact O-N 3.22Å; R62-R65 PolarHBondContact O-N 3.22Å; R62-N93 VanDerWaalsContact CD-O 3.29Å; R62-N93 WeakPolarHBondContact CD-O 3.3Å; R62-N93 VanDerWaalsContact CG-O 3.24Å; R62-N93 WeakPolarHBondContact CG-O 3.33Å; R62-N93 PolarHBondContact NH1-O 3.23Å
63D97Very high95.3Very high100 Ų10045.1 Ų45.154%0.53523%0.229SC..Hα-helixtrans-66.3-39.9-177.6-76.3-1.9000111.5L59L59-D63 PolarHBondContact O-N 2.89Å
64H97.1Very high95Very high76 Ų7644.4 Ų44.435%0.35223%0.225SC..THydrogen-bonded Turntrans-92.5-0.1178.2-60.7-72.5000113.5M45 A60 T66 E151M45-H64 HydrophobicContact CE-CB 4.03Å; M45-H64 VanDerWaalsContact CE-CG 3.47Å; M45-H64 HydrophobicContact SD-CB 3.67Å; A60-H64 WeakPolarHBondContact O-CB 3.44Å; A60-H64 PolarHBondContact O-CD2 2.98Å; A60-H64 VanDerWaalsContact O-CD2 3.25Å; A60-H64 PolarHBondContact O-N 3.32Å; H64-T66 VanDerWaalsContact C-N 3.26Å; H64-T66 HydrophobicContact CB-CG2 4Å; H64-T66 PolarHBondContact O-N 2.64Å; H64-E151 IonicContact CD2-OE2 2.81Å; H64-E151 IonicContact CE1-OE2 3.03Å; H64-E151 IonicContact NE2-OE1 2.86Å; H64-E151 IonicContact NE2-OE2 3.16Å; H64-E151 PolarHBondContact NE2-OE2 3.13Å
65R96Very high94.4Very high226 Ų22644.6 Ų44.685%0.85323%0.227SC*.THydrogen-bonded Turntrans50.143.7179.6-56.1179.8-177.3-1790.1113.1I61 R62I61-R65 CarbonylContact O-C 3.36Å; I61-R65 VanDerWaalsContact O-CA 3.26Å; I61-R65 WeakPolarHBondContact O-CA 3.4Å; I61-R65 PolarHBondContact O-N 2.88Å; R62-R65 PolarHBondContact O-N 3.22Å
66T95Very high93.7Very high33 Ų3348.7 Ų48.720%0.20224%0.242CC..  trans-72.7158.6178.367.60000110.8M45 I61 H64 G68 S92M45-T66 HydrophobicContact SD-CG2 3.89Å; I61-T66 WeakPolarHBondContact CA-OG1 3.45Å; I61-T66 WeakPolarHBondContact CG2-OG1 3.36Å; I61-T66 PolarHBondContact O-N 2.92Å; H64-T66 VanDerWaalsContact C-N 3.26Å; H64-T66 HydrophobicContact CB-CG2 4Å; H64-T66 PolarHBondContact O-N 2.64Å; T66-G68 PolarHBondContact O-N 2.99Å; T66-G68 PolarHBondContact OG1-O 3.29Å; T66-S92 WeakPolarHBondContact O-CA 3.42Å; T66-S92 WeakPolarHBondContact O-CB 3.35Å
67D92.8Very high93.2Very high139 Ų13951.9 Ų51.974%0.74325%0.253SS*.SBendtrans-65.3-17.9175.7-57.9-66.9000113.6S92D67-S92 PolarHBondContact O-N 3.24Å
68G93.9Very high92.7Very high25 Ų2554.9 Ų54.926%0.25827%0.269SS..EExtended strand (participates in β ladder)trans158.8-167.6177.800000111.6T66 C90T66-G68 PolarHBondContact O-N 2.99Å; T66-G68 PolarHBondContact OG1-O 3.29Å; G68-C90 CarbonylContact C-O 3.58Å; G68-C90 WeakPolarHBondContact CA-O 3.27Å
69G94.7Very high92.3Very high17 Ų1755.1 Ų55.118%0.17527%0.272CS..EExtended strand (participates in β ladder)trans-152145.4177.300000112.5C90G69-C90 PolarHBondContact N-O 3.41Å; G69-C90 PolarHBondContact O-N 2.87Å
70I94.7Very high92Very high64 Ų6455.5 Ų55.533%0.32828%0.277SS..EExtended strand (participates in β ladder)trans-92.7118.7172.1-64.5170.6000107.4V22 L25 L26 I72 I87 K88 L89V22-I70 HydrophobicContact CG1-CD1 4.15Å; L25-I70 HydrophobicContact CD1-CG2 4.44Å; L26-I70 HydrophobicContact CD2-CD1 4.35Å; I70-I72 HydrophobicContact CG2-CD1 4.44Å; I70-I72 HydrophobicContact CG2-CG1 4.01Å; I70-I87 HydrophobicContact CG2-CG2 3.65Å; I70-K88 WeakPolarHBondContact CA-O 3.36Å; I70-L89 HydrophobicContact CG1-CD1 4.41Å
71V93.6Very high91.6Very high3 Ų363.1 Ų63.12%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-101.8129.2176.1-1750000108.7I57 I87 K88 C90I57-V71 HydrophobicContact CB-CG2 4.46Å; I57-V71 HydrophobicContact CD1-CB 4.36Å; I57-V71 HydrophobicContact CD1-CG1 3.98Å; I57-V71 HydrophobicContact CD1-CG2 3.86Å; I57-V71 HydrophobicContact CG2-CG2 3.91Å; V71-I87 WeakPolarHBondContact O-CA 3.44Å; V71-K88 HydrophobicContact CB-CD 4.32Å; V71-K88 HydrophobicContact CB-CG 3.73Å; V71-K88 HydrophobicContact CG2-CG 4.32Å; V71-K88 PolarHBondContact N-O 3.14Å; V71-K88 PolarHBondContact O-N 3.07Å; V71-C90 VanDerWaalsContact CG2-SG 3.55Å
72I91.5Very high91.3Very high98 Ų9871.3 Ų71.350%0.50335%0.346SS..EExtended strand (participates in β ladder)trans-119.9115.6-179.3-57.8-176.6000107.3I70 F85 G86 I87I70-I72 HydrophobicContact CG2-CD1 4.44Å; I70-I72 HydrophobicContact CG2-CG1 4.01Å; I72-F85 HydrophobicContact CB-CE1 4.42Å; I72-F85 HydrophobicContact CG2-CD1 3.88Å; I72-F85 HydrophobicContact CG2-CE1 2.95Å; I72-F85 HydrophobicContact CG2-CE2 4.42Å; I72-F85 HydrophobicContact CG2-CZ 3.29Å; I72-G86 WeakPolarHBondContact CA-O 3.49Å; I72-I87 HydrophobicContact CG1-CG1 4.33Å; I72-I87 HydrophobicContact CG1-CG2 4.38Å; I72-I87 HydrophobicContact CG2-CG1 4.46Å
73S88.7Confident91Very high11 Ų1167.8 Ų67.88%0.07734%0.335CS..EExtended strand (participates in β ladder)trans-160.1157.8-172.9-179.90000113.4G75 G86S73-G75 VanDerWaalsContact C-N 3.33Å; S73-G75 PolarHBondContact OG-N 3.17Å; S73-G86 PolarHBondContact N-O 2.92Å; S73-G86 PolarHBondContact O-N 2.89Å
74A87.3Confident90.6Very high0 Ų065.9 Ų65.90%033%0.325CS..  trans-84.3-6.2166.600000113.4F6 R76 R77 L84 F85 F209F6-A74 VanDerWaalsContact CE1-C 3.49Å; F6-A74 VanDerWaalsContact CE1-O 3.29Å; F6-A74 WeakPolarHBondContact CE1-O 3.41Å; A74-R76 PolarHBondContact O-N 2.85Å; A74-R76 VanDerWaalsContact O-N 3.13Å; A74-R77 WeakPolarHBondContact O-CB 3.4Å; A74-R77 PolarHBondContact O-N 2.76Å; A74-R77 VanDerWaalsContact O-N 3.1Å; A74-L84 WeakPolarHBondContact CB-O 3.47Å; A74-F85 HydrophobicContact CB-CD2 4.28Å; A74-F209 HydrophobicContact CB-CD2 4.17Å; A74-F209 HydrophobicContact CB-CE2 3.41Å; A74-F209 VanDerWaalsContact CB-CE2 3.41Å; A74-F209 HydrophobicContact CB-CZ 4.14Å
75G82.6Confident90.3Very high7 Ų765.1 Ų65.17%0.07232%0.32CS..THydrogen-bonded Turntrans56.5-114.9-177.300000111.2S73 S214 C241S73-G75 VanDerWaalsContact C-N 3.33Å; S73-G75 PolarHBondContact OG-N 3.17Å; G75-S214 WeakPolarHBondContact O-CB 3.35Å; G75-S214 PolarHBondContact O-OG 2.63Å; G75-C241 PolarHBondContact O-SG 3.07Å; G75-C241 VanDerWaalsContact O-SG 3.34Å
76R81.9Confident90Very high86 Ų8654.3 Ų54.333%0.32528%0.28SS..THydrogen-bonded Turntrans-104.317.2-179.2-60-173.5-55.9109.3-1.6113.9A74 S214 D215 L331A74-R76 PolarHBondContact O-N 2.85Å; A74-R76 VanDerWaalsContact O-N 3.13Å; R76-S214 WeakPolarHBondContact CA-OG 3.41Å; R76-D215 HydrophobicContact CB-CB 3.94Å; R76-D215 WeakPolarHBondContact CD-OD1 3.33Å; R76-D215 IonicContact CZ-OD1 3.8Å; R76-D215 IonicContact NH1-OD1 3.47Å; R76-D215 PolarHBondContact NH1-OD1 2.9Å; R76-D215 WeakPolarHBondContact O-CB 3.31Å; R76-L331 VanDerWaalsContact NH2-CD1 3.33Å
77R85.5Confident89.9Confident74 Ų7453.2 Ų53.228%0.27927%0.272SS..SBendtrans-111.7162.8-173.6-61.8173.7172.692-15.2111.1F6 A74 G79 L84 S214F6-R77 VanDerWaalsContact CD1-NH1 3.3Å; F6-R77 VanDerWaalsContact CD2-CZ 3.44Å; F6-R77 VanDerWaalsContact CE1-NH1 3.32Å; A74-R77 WeakPolarHBondContact O-CB 3.4Å; A74-R77 PolarHBondContact O-N 2.76Å; A74-R77 VanDerWaalsContact O-N 3.1Å; R77-G79 PolarHBondContact O-N 3.31Å; R77-L84 HydrophobicContact CB-CB 4.08Å; R77-L84 HydrophobicContact CB-CD1 4.42Å; R77-L84 VanDerWaalsContact CD-CD1 3.49Å; R77-L84 HydrophobicContact CG-CD1 4.34Å; R77-S214 PolarHBondContact N-OG 2.7Å; R77-S214 PolarHBondContact O-OG 3.1Å; R77-S214 VanDerWaalsContact O-OG 3.05Å
78L87.4Confident89.8Confident87 Ų8747.1 Ų47.146%0.45524%0.239SC..  trans-62122.5171.4-172.267.4000110G83 L84 G211L78-G83 CarbonylContact O-C 3.4Å; L78-G83 VanDerWaalsContact O-CA 3.28Å; L78-G83 WeakPolarHBondContact O-CA 3.48Å; L78-L84 PolarHBondContact O-N 2.83Å; L78-G211 WeakPolarHBondContact CD1-O 3.48Å
79G88.5Confident89.8Confident6 Ų646.7 Ų46.76%0.06223%0.231CC..  trans-85-162.1176.600000113.2R77 G83R77-G79 PolarHBondContact O-N 3.31Å; G79-G83 WeakPolarHBondContact O-CA 3.41Å
80G90.2Very high89.8Confident15 Ų1545.9 Ų45.916%0.15522%0.223CC..SBendtrans84.417617700000114.4V9 Q82 G83 D208V9-G80 VanDerWaalsContact CG2-O 3.27Å; V9-G80 WeakPolarHBondContact CG2-O 3.38Å; G80-Q82 PolarHBondContact O-N 3.35Å; G80-Q82 VanDerWaalsContact O-N 3.1Å; G80-G83 WeakPolarHBondContact O-CA 3.36Å; G80-G83 PolarHBondContact O-N 3.44Å; G80-D208 VanDerWaalsContact CA-CB 3.41Å
81K90.4Very high89.7Confident173 Ų17344.5 Ų44.575%0.75222%0.216SC*.THydrogen-bonded Turntrans-56.8-30.8-170.8-68-177.7179.5177.40114.5
82Q89.9Confident89.7Confident176 Ų17648 Ų4882%0.82224%0.24SC*.THydrogen-bonded Turntrans-101.2-0.9177.5-58.1-59.9-15.500113G80G80-Q82 PolarHBondContact O-N 3.35Å; G80-Q82 VanDerWaalsContact O-N 3.1Å
83G90.9Very high89.9Confident7 Ų745.2 Ų45.27%0.07223%0.227CC..SBendtrans-87.6-166-176.800000113.6K8 V9 L78 G79 G80K8-G83 WeakPolarHBondContact CA-O 3.33Å; V9-G83 PolarHBondContact N-O 3.39Å; V9-G83 VanDerWaalsContact N-O 3.1Å; L78-G83 CarbonylContact O-C 3.4Å; L78-G83 VanDerWaalsContact O-CA 3.28Å; L78-G83 WeakPolarHBondContact O-CA 3.48Å; G79-G83 WeakPolarHBondContact O-CA 3.41Å; G80-G83 WeakPolarHBondContact O-CA 3.36Å; G80-G83 PolarHBondContact O-N 3.44Å
84L90.3Very high90.2Very high60 Ų6044.7 Ų44.731%0.31422%0.223SC..EExtended strand (participates in β ladder)trans-105.9145.3178.4-66.7170.8000109.7A7 K8 A74 R77 L78A7-L84 WeakPolarHBondContact O-CA 3.06Å; A7-L84 WeakPolarHBondContact O-CD2 3.41Å; K8-L84 HydrophobicContact CB-CD2 4.5Å; K8-L84 HydrophobicContact CG-CD2 3.91Å; A74-L84 WeakPolarHBondContact CB-O 3.47Å; R77-L84 HydrophobicContact CB-CB 4.08Å; R77-L84 HydrophobicContact CB-CD1 4.42Å; R77-L84 VanDerWaalsContact CD-CD1 3.49Å; R77-L84 HydrophobicContact CG-CD1 4.34Å; L78-L84 PolarHBondContact O-N 2.83Å
85F89.4Confident90.5Very high60 Ų6044.7 Ų44.726%0.26322%0.223SC..EExtended strand (participates in β ladder)trans-142.8156.8179.7-150.6-125.2000108.8F6 A7 V9 Y12 I72 A74F6-F85 VanDerWaalsContact CA-O 3.3Å; F6-F85 WeakPolarHBondContact CA-O 3.45Å; A7-F85 PolarHBondContact N-O 3.3Å; A7-F85 PolarHBondContact O-N 2.93Å; A7-F85 VanDerWaalsContact O-O 3.11Å; V9-F85 HydrophobicContact CG2-CB 3.83Å; V9-F85 HydrophobicContact CG2-CG 4.5Å; Y12-F85 HydrophobicContact CD2-CB 4.42Å; Y12-F85 HydrophobicContact CE2-CB 4.21Å; Y12-F85 VanDerWaalsContact CE2-O 3.3Å; Y12-F85 WeakPolarHBondContact CE2-O 3.42Å; Y12-F85 PolarHBondContact OH-O 2.76Å; I72-F85 HydrophobicContact CB-CE1 4.42Å; I72-F85 HydrophobicContact CG2-CD1 3.88Å; I72-F85 HydrophobicContact CG2-CE1 2.95Å; I72-F85 HydrophobicContact CG2-CE2 4.42Å; I72-F85 HydrophobicContact CG2-CZ 3.29Å; A74-F85 HydrophobicContact CB-CD2 4.28Å
86G90.5Very high91.1Very high0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-149.1153.9177.400000113.1H5 I72 S73H5-G86 WeakPolarHBondContact O-CA 3.46Å; I72-G86 WeakPolarHBondContact CA-O 3.49Å; S73-G86 PolarHBondContact N-O 2.92Å; S73-G86 PolarHBondContact O-N 2.89Å
87I92.8Very high91.6Very high9 Ų940.6 Ų40.65%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-123.4125.9179.5-55.1175.2000106.4H5 Y12 F21 L25 I70 V71 I72H5-I87 PolarHBondContact O-N 3.01Å; Y12-I87 HydrophobicContact CD1-CD1 4Å; Y12-I87 HydrophobicContact CE1-CD1 3.79Å; Y12-I87 HydrophobicContact CE1-CG1 4.1Å; F21-I87 HydrophobicContact CD1-CB 4.14Å; F21-I87 HydrophobicContact CD1-CD1 4.2Å; F21-I87 HydrophobicContact CD1-CG2 4.24Å; F21-I87 HydrophobicContact CE1-CB 3.76Å; F21-I87 HydrophobicContact CE1-CG2 3.99Å; L25-I87 HydrophobicContact CD1-CG2 3.5Å; I70-I87 HydrophobicContact CG2-CG2 3.65Å; V71-I87 WeakPolarHBondContact O-CA 3.44Å; I72-I87 HydrophobicContact CG1-CG1 4.33Å; I72-I87 HydrophobicContact CG1-CG2 4.38Å; I72-I87 HydrophobicContact CG2-CG1 4.46Å
88K90.2Very high91.8Very high11 Ų1139 Ų395%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-125.4160.8170.760.7163.7165.8-172.80111.4S3 L4 I70 V71 P96 E341S3-K88 VanDerWaalsContact O-CB 3.27Å; S3-K88 WeakPolarHBondContact O-CB 3.06Å; L4-K88 HydrophobicContact CD1-CB 3.88Å; L4-K88 HydrophobicContact CD1-CD 3.36Å; L4-K88 HydrophobicContact CD1-CG 3.57Å; L4-K88 HydrophobicContact CG-CB 3.73Å; L4-K88 HydrophobicContact CG-CD 4.17Å; L4-K88 HydrophobicContact CG-CG 3.79Å; I70-K88 WeakPolarHBondContact CA-O 3.36Å; V71-K88 HydrophobicContact CB-CD 4.32Å; V71-K88 HydrophobicContact CB-CG 3.73Å; V71-K88 HydrophobicContact CG2-CG 4.32Å; V71-K88 PolarHBondContact N-O 3.14Å; V71-K88 PolarHBondContact O-N 3.07Å; K88-P96 HydrophobicContact CD-CB 4.49Å; K88-E341 VanDerWaalsContact NZ-CD 3.35Å; K88-E341 IonicContact NZ-OE1 3.25Å; K88-E341 PolarHBondContact NZ-OE1 3.02Å; K88-E341 IonicContact NZ-OE2 3.38Å; K88-E341 PolarHBondContact NZ-OE2 3.02Å
89L93.9Very high91.9Very high16 Ų1636.8 Ų36.88%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-96.9130.7164.6-175.870.3000109.6L25 G29 I70 L91 A97 V101 I105L25-L89 HydrophobicContact CD2-CB 4.38Å; G29-L89 VanDerWaalsContact CA-CD2 3.43Å; I70-L89 HydrophobicContact CG1-CD1 4.41Å; L89-L91 HydrophobicContact CD2-CD2 3.87Å; L89-L91 HydrophobicContact CG-CD2 4.31Å; L89-A97 HydrophobicContact CB-CB 4.19Å; L89-A97 HydrophobicContact CD2-CB 4.48Å; L89-A97 WeakPolarHBondContact O-CB 3.35Å; L89-A97 PolarHBondContact O-N 3.45Å; L89-V101 HydrophobicContact CD2-CG1 4.11Å; L89-I105 HydrophobicContact CD2-CD1 4.32Å
90C94.6Very high92Very high1 Ų141.8 Ų41.81%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-97.9134.6159.7-69.70000108.4I61 G68 G69 V71 G95I61-C90 HydrophobicContact CD1-CB 3.54Å; G68-C90 CarbonylContact C-O 3.58Å; G68-C90 WeakPolarHBondContact CA-O 3.27Å; G69-C90 PolarHBondContact N-O 3.41Å; G69-C90 PolarHBondContact O-N 2.87Å; V71-C90 VanDerWaalsContact CG2-SG 3.55Å; C90-G95 CarbonylContact C-O 3.6Å; C90-G95 WeakPolarHBondContact CA-O 3.33Å
91L94.1Very high92.1Very high34 Ų3441.7 Ų41.718%0.17821%0.213CC..EExtended strand (participates in β ladder)trans-82.7172.5-179.9-56.4178.8000110.9I61 L89 N93 G94 G95 A97 V101I61-L91 WeakPolarHBondContact CG2-O 3.28Å; L89-L91 HydrophobicContact CD2-CD2 3.87Å; L89-L91 HydrophobicContact CG-CD2 4.31Å; L91-N93 PolarHBondContact O-N 3.08Å; L91-N93 VanDerWaalsContact O-N 3.09Å; L91-G94 WeakPolarHBondContact O-CA 3.1Å; L91-G94 PolarHBondContact O-N 3.46Å; L91-G95 PolarHBondContact N-O 3.07Å; L91-A97 HydrophobicContact CD2-CB 4.16Å; L91-A97 HydrophobicContact CG-CB 4.31Å; L91-V101 HydrophobicContact CD1-CG2 4.35Å; L91-V101 HydrophobicContact CD2-CG1 4.21Å; L91-V101 HydrophobicContact CD2-CG2 4.31Å
92S94Very high92.2Very high76 Ų7634.3 Ų34.353%0.53118%0.181SC..THydrogen-bonded Turntrans-57.5-21.6-179.8580000115.2I61 T66 D67 G94I61-S92 WeakPolarHBondContact CG2-O 3.39Å; T66-S92 WeakPolarHBondContact O-CA 3.42Å; T66-S92 WeakPolarHBondContact O-CB 3.35Å; D67-S92 PolarHBondContact O-N 3.24Å; S92-G94 PolarHBondContact O-N 3.18Å
93N94Very high92.3Very high41 Ų4128.3 Ų28.322%0.21916%0.159CC..THydrogen-bonded Turntrans-73.3-9.4171.370.8-9.9000113.1R62 L91 G95 D320 R340R62-N93 VanDerWaalsContact CD-O 3.29Å; R62-N93 WeakPolarHBondContact CD-O 3.3Å; R62-N93 VanDerWaalsContact CG-O 3.24Å; R62-N93 WeakPolarHBondContact CG-O 3.33Å; R62-N93 PolarHBondContact NH1-O 3.23Å; L91-N93 PolarHBondContact O-N 3.08Å; L91-N93 VanDerWaalsContact O-N 3.09Å; N93-G95 PolarHBondContact OD1-N 3.23Å; N93-D320 PolarHBondContact ND2-OD2 2.93Å; N93-R340 WeakPolarHBondContact O-CG 3.15Å
94G95.6Very high92.4Very high0 Ų032.2 Ų32.20%017%0.172CC..SBendtrans91.5-4.7-176.900000114.4S58 L91 S92 R340S58-G94 VanDerWaalsContact CB-O 3.32Å; S58-G94 WeakPolarHBondContact CB-O 3.28Å; S58-G94 PolarHBondContact OG-O 3.32Å; L91-G94 WeakPolarHBondContact O-CA 3.1Å; L91-G94 PolarHBondContact O-N 3.46Å; S92-G94 PolarHBondContact O-N 3.18Å; G94-R340 VanDerWaalsContact C-CB 3.49Å
95G94.7Very high92.5Very high0 Ų029.8 Ų29.80%016%0.159CC..SBendtrans-93.8163.8-177.300000113C90 L91 N93 R340C90-G95 CarbonylContact C-O 3.6Å; C90-G95 WeakPolarHBondContact CA-O 3.33Å; L91-G95 PolarHBondContact N-O 3.07Å; N93-G95 PolarHBondContact OD1-N 3.23Å; G95-R340 VanDerWaalsContact CA-CB 3.42Å
96P93.7Very high92.6Very high6 Ų632.1 Ų32.14%0.03917%0.166CC..BIsolated β-bridgetrans-57.9146.3172.826.2-36.1000111.8K88 D98 I313 N316K88-P96 HydrophobicContact CD-CB 4.49Å; P96-D98 PolarHBondContact O-N 3.02Å; P96-I313 HydrophobicContact CB-CG1 4.46Å; P96-I313 HydrophobicContact CG-CG1 4.04Å; P96-N316 WeakPolarHBondContact CD-ND2 3.24Å
97A92.7Very high92.8Very high1 Ų137 Ų371%0.00819%0.189CC..PPolyproline II helixtrans-51.6135.6173.200000111.8L89 L91 V101 N102 I313L89-A97 HydrophobicContact CB-CB 4.19Å; L89-A97 HydrophobicContact CD2-CB 4.48Å; L89-A97 WeakPolarHBondContact O-CB 3.35Å; L89-A97 PolarHBondContact O-N 3.45Å; L91-A97 HydrophobicContact CD2-CB 4.16Å; L91-A97 HydrophobicContact CG-CB 4.31Å; A97-V101 HydrophobicContact CB-CB 4.13Å; A97-V101 HydrophobicContact CB-CG1 3.9Å; A97-N102 PolarHBondContact O-ND2 3.37Å; A97-I313 WeakPolarHBondContact O-CD1 3.33Å
98D90.3Very high92.8Very high41 Ų4138.8 Ų38.822%0.21920%0.199CC..  trans-76.3176-18072.512.3000112.5P96 I100 V101 N102 I313P96-D98 PolarHBondContact O-N 3.02Å; D98-I100 PolarHBondContact O-N 2.86Å; D98-I100 WeakPolarHBondContact OD1-CB 3.18Å; D98-I100 PolarHBondContact OD1-N 3Å; D98-V101 PolarHBondContact O-N 2.94Å; D98-V101 WeakPolarHBondContact OD1-CG2 3.31Å; D98-V101 PolarHBondContact OD1-N 3.26Å; D98-N102 WeakPolarHBondContact O-CB 3.41Å; D98-N102 VanDerWaalsContact O-CG 3.31Å; D98-N102 PolarHBondContact O-N 3.36Å; D98-N102 PolarHBondContact O-ND2 3.49Å; D98-I313 HydrophobicContact CB-CG2 3.86Å
99D89.4Confident92.9Very high40 Ų4040.8 Ų40.821%0.21421%0.212CC..Hα-helixtrans-62.5-28.1-179.6-71.8-47.9000113.2M1 S103M1-D99 PolarHBondContact N-OD1 3.33Å; D99-S103 WeakPolarHBondContact O-CB 3.5Å; D99-S103 PolarHBondContact O-N 3.3Å; D99-S103 PolarHBondContact O-OG 3.41Å
100I90.7Very high93Very high110 Ų11045.8 Ų45.856%0.56423%0.233SC*.Hα-helixtrans-70.1-50.1179.1-65.7168.7000109.2D98 S103 R104D98-I100 PolarHBondContact O-N 2.86Å; D98-I100 WeakPolarHBondContact OD1-CB 3.18Å; D98-I100 PolarHBondContact OD1-N 3Å; I100-S103 PolarHBondContact O-N 3.35Å; I100-R104 PolarHBondContact O-N 3.25Å
101V92.1Very high93Very high14 Ų1450 Ų509%0.08526%0.259CS..Hα-helixtrans-65-45.4178.4176.80000110.6L89 L91 A97 D98 S103 R104 I105L89-V101 HydrophobicContact CD2-CG1 4.11Å; L91-V101 HydrophobicContact CD1-CG2 4.35Å; L91-V101 HydrophobicContact CD2-CG1 4.21Å; L91-V101 HydrophobicContact CD2-CG2 4.31Å; A97-V101 HydrophobicContact CB-CB 4.13Å; A97-V101 HydrophobicContact CB-CG1 3.9Å; D98-V101 PolarHBondContact O-N 2.94Å; D98-V101 WeakPolarHBondContact OD1-CG2 3.31Å; D98-V101 PolarHBondContact OD1-N 3.26Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.17Å; V101-R104 WeakPolarHBondContact O-CB 3.29Å; V101-R104 PolarHBondContact O-N 2.83Å; V101-R104 VanDerWaalsContact O-N 3.16Å; V101-I105 HydrophobicContact CG1-CD1 3.8Å; V101-I105 HydrophobicContact CG1-CG1 4.42Å; V101-I105 WeakPolarHBondContact O-CG1 3.37Å; V101-I105 PolarHBondContact O-N 2.85Å
102N91.9Very high92.9Very high18 Ų1850.6 Ų50.610%0.09626%0.262CS..Hα-helixtrans-62.7-39.8177.8-74-39.8000112.6M1 A97 D98 R104 I105 Y106M1-N102 HydrophobicContact SD-CB 4.47Å; A97-N102 PolarHBondContact O-ND2 3.37Å; D98-N102 WeakPolarHBondContact O-CB 3.41Å; D98-N102 VanDerWaalsContact O-CG 3.31Å; D98-N102 PolarHBondContact O-N 3.36Å; D98-N102 PolarHBondContact O-ND2 3.49Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 3.13Å; N102-I105 PolarHBondContact O-N 3.21Å; N102-Y106 WeakPolarHBondContact O-CB 3.39Å; N102-Y106 PolarHBondContact O-N 3.38Å
103S92.4Very high92.9Very high50 Ų5056.9 Ų56.935%0.3528%0.28SS..Hα-helixtrans-63.6-40.1175.3-63.40000111.1D99 I100 V101 Y106 Q107D99-S103 WeakPolarHBondContact O-CB 3.5Å; D99-S103 PolarHBondContact O-N 3.3Å; D99-S103 PolarHBondContact O-OG 3.41Å; I100-S103 PolarHBondContact O-N 3.35Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.17Å; S103-Y106 PolarHBondContact O-N 3.45Å; S103-Q107 WeakPolarHBondContact O-CG 3.42Å; S103-Q107 PolarHBondContact O-N 2.74Å
104R92.3Very high92.9Very high89 Ų8961.5 Ų61.534%0.33630%0.3SS..Hα-helixtrans-62.4-49.5174.7-173.8-176.6-65128.5-3.7111.8G28 I100 V101 N102 Y106 Q107 L108G28-R104 WeakPolarHBondContact O-CD 3.29Å; G28-R104 PolarHBondContact O-NH1 3.37Å; I100-R104 PolarHBondContact O-N 3.25Å; V101-R104 WeakPolarHBondContact O-CB 3.29Å; V101-R104 PolarHBondContact O-N 2.83Å; V101-R104 VanDerWaalsContact O-N 3.16Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 3.13Å; R104-Y106 VanDerWaalsContact C-N 3.27Å; R104-Y106 PolarHBondContact O-N 2.88Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-Q107 VanDerWaalsContact O-N 3.15Å; R104-L108 HydrophobicContact CG-CD1 4.3Å; R104-L108 WeakPolarHBondContact O-CG 3.5Å; R104-L108 PolarHBondContact O-N 3.23Å
105I93Very high92.6Very high9 Ų964.8 Ų64.85%0.04631%0.313CS..Hα-helixtrans-54-48.4175.5-68.3162000109.6C24 L25 L89 V101 N102 Q107 L108 T109C24-I105 HydrophobicContact CB-CG2 4.41Å; L25-I105 HydrophobicContact CD2-CD1 3.88Å; L25-I105 HydrophobicContact CD2-CG1 4.49Å; L25-I105 HydrophobicContact CD2-CG2 3.91Å; L89-I105 HydrophobicContact CD2-CD1 4.32Å; V101-I105 HydrophobicContact CG1-CD1 3.8Å; V101-I105 HydrophobicContact CG1-CG1 4.42Å; V101-I105 WeakPolarHBondContact O-CG1 3.37Å; V101-I105 PolarHBondContact O-N 2.85Å; N102-I105 PolarHBondContact O-N 3.21Å; I105-Q107 PolarHBondContact O-N 3.06Å; I105-L108 WeakPolarHBondContact O-CB 3.36Å; I105-L108 PolarHBondContact O-N 3.35Å; I105-L108 VanDerWaalsContact O-N 3.15Å; I105-T109 WeakPolarHBondContact O-CG2 3.37Å; I105-T109 PolarHBondContact O-N 2.79Å
106Y92.6Very high92.3Very high108 Ų10870.7 Ų70.742%0.42434%0.34SS..Hα-helixtrans-59.5-43.3178.5176.2-112.8000112.6M1 N102 S103 R104 L108 T109 K110M1-Y106 HydrophobicContact CE-CD1 4.37Å; M1-Y106 HydrophobicContact CE-CG 4.33Å; N102-Y106 WeakPolarHBondContact O-CB 3.39Å; N102-Y106 PolarHBondContact O-N 3.38Å; S103-Y106 PolarHBondContact O-N 3.45Å; R104-Y106 VanDerWaalsContact C-N 3.27Å; R104-Y106 PolarHBondContact O-N 2.88Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 2.76Å; Y106-T109 PolarHBondContact O-N 2.87Å; Y106-T109 PolarHBondContact O-OG1 2.98Å; Y106-K110 HydrophobicContact CE1-CD 4.46Å; Y106-K110 VanDerWaalsContact CZ-NZ 3.34Å; Y106-K110 WeakPolarHBondContact OH-CE 3.27Å; Y106-K110 PolarHBondContact OH-NZ 2.82Å
107Q93.9Very high92Very high102 Ų10274.7 Ų74.748%0.47736%0.364SS..Hα-helixtrans-63.3-39.9175.5-65.3-56.2-2400112.2S103 R104 I105 T109 K110 T111S103-Q107 WeakPolarHBondContact O-CG 3.42Å; S103-Q107 PolarHBondContact O-N 2.74Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-Q107 VanDerWaalsContact O-N 3.15Å; I105-Q107 PolarHBondContact O-N 3.06Å; Q107-T109 VanDerWaalsContact C-N 3.31Å; Q107-T109 PolarHBondContact O-N 2.9Å; Q107-K110 WeakPolarHBondContact O-CB 3.33Å; Q107-K110 PolarHBondContact O-N 2.92Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.5Å
108L93Very high91.7Very high47 Ų4777.2 Ų77.225%0.24638%0.381CS..Hα-helixtrans-61.7-38.3175.6-69168.1000111.8C24 D27 R104 I105 Y106 K110 T111 I112C24-L108 HydrophobicContact CB-CB 4.07Å; D27-L108 HydrophobicContact CB-CD1 3.79Å; R104-L108 HydrophobicContact CG-CD1 4.3Å; R104-L108 WeakPolarHBondContact O-CG 3.5Å; R104-L108 PolarHBondContact O-N 3.23Å; I105-L108 WeakPolarHBondContact O-CB 3.36Å; I105-L108 PolarHBondContact O-N 3.35Å; I105-L108 VanDerWaalsContact O-N 3.15Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 2.76Å; L108-K110 PolarHBondContact O-N 3.48Å; L108-K110 VanDerWaalsContact O-N 3.1Å; L108-T111 PolarHBondContact O-N 2.97Å; L108-I112 WeakPolarHBondContact O-CB 3.44Å; L108-I112 PolarHBondContact O-N 2.97Å
109T92.8Very high91Very high54 Ų5481.5 Ų81.533%0.33141%0.409SS..Hα-helixtrans-61.8-20.7176.465.30000113.8F21 C24 I105 Y106 Q107F21-T109 HydrophobicContact CD2-CG2 4.09Å; F21-T109 HydrophobicContact CE2-CG2 4.33Å; C24-T109 HydrophobicContact CB-CG2 3.89Å; I105-T109 WeakPolarHBondContact O-CG2 3.37Å; I105-T109 PolarHBondContact O-N 2.79Å; Y106-T109 PolarHBondContact O-N 2.87Å; Y106-T109 PolarHBondContact O-OG1 2.98Å; Q107-T109 VanDerWaalsContact C-N 3.31Å; Q107-T109 PolarHBondContact O-N 2.9Å
110K94.8Very high90.4Very high120 Ų12088.2 Ų88.252%0.52244%0.437SS..Hα-helixtrans-87-20.4176.5-62.7-178.4179.1-178.20113.8Y106 Q107 L108Y106-K110 HydrophobicContact CE1-CD 4.46Å; Y106-K110 VanDerWaalsContact CZ-NZ 3.34Å; Y106-K110 WeakPolarHBondContact OH-CE 3.27Å; Y106-K110 PolarHBondContact OH-NZ 2.82Å; Q107-K110 WeakPolarHBondContact O-CB 3.33Å; Q107-K110 PolarHBondContact O-N 2.92Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; L108-K110 PolarHBondContact O-N 3.48Å; L108-K110 VanDerWaalsContact O-N 3.1Å
111T94.9Very high90.1Very high91 Ų9186.7 Ų86.756%0.55843%0.429SS*.Hα-helixtrans-122.8-11.2-168.259.10000113.8Q107 L108 K113Q107-T111 PolarHBondContact O-N 3.2Å; Q107-T111 PolarHBondContact O-OG1 3.5Å; L108-T111 PolarHBondContact O-N 2.97Å; T111-K113 WeakPolarHBondContact O-CG 3.3Å; T111-K113 PolarHBondContact O-N 3.4Å
112I92.8Very high89.8Confident46 Ų4694.7 Ų94.724%0.23647%0.466CS..  trans-54130.8176.7-173.1167.6000110.8N20 Q23 L108 E114N20-I112 HydrophobicContact CB-CD1 4.3Å; Q23-I112 HydrophobicContact CB-CD1 3.8Å; Q23-I112 HydrophobicContact CG-CD1 3.85Å; L108-I112 WeakPolarHBondContact O-CB 3.44Å; L108-I112 PolarHBondContact O-N 2.97Å; I112-E114 WeakPolarHBondContact CD1-O 3.45Å; I112-E114 VanDerWaalsContact CG1-O 3.25Å; I112-E114 WeakPolarHBondContact CG1-O 3.29Å
113K93.6Very high89.8Confident208 Ų20895.7 Ų95.790%0.90447%0.472SS*.  trans-114-22.7179.9-63.2-175-1801790113T111T111-K113 WeakPolarHBondContact O-CG 3.3Å; T111-K113 PolarHBondContact O-N 3.4Å
114E92.9Very high89.9Confident138 Ų13899 Ų9965%0.64548%0.48SS*.  trans-148.8156.6-175.564.6-174.7178.600110.6I112I112-E114 WeakPolarHBondContact CD1-O 3.45Å; I112-E114 VanDerWaalsContact CG1-O 3.25Å; I112-E114 WeakPolarHBondContact CG1-O 3.29Å
115Y91.1Very high90.1Very high69 Ų6997.5 Ų97.527%0.27148%0.479SS..  trans-141.8153.5173.565.7-97.1000108.4N16 E19 N20 T117N16-Y115 HydrophobicContact CB-CE1 3.8Å; N16-Y115 PolarHBondContact OD1-OH 3.43Å; E19-Y115 HydrophobicContact CB-CD1 4.27Å; E19-Y115 HydrophobicContact CB-CD2 3.54Å; E19-Y115 HydrophobicContact CB-CE1 4.29Å; E19-Y115 HydrophobicContact CB-CE2 3.57Å; E19-Y115 HydrophobicContact CB-CG 3.9Å; E19-Y115 HydrophobicContact CG-CD2 4.22Å; E19-Y115 HydrophobicContact CG-CE2 3.85Å; N20-Y115 VanDerWaalsContact OD1-CD1 3.31Å; N20-Y115 WeakPolarHBondContact OD1-CD1 3.44Å; Y115-T117 HydrophobicContact CD2-CG2 3.74Å; Y115-T117 HydrophobicContact CE2-CG2 3.66Å
116H87.8Confident90.2Very high124 Ų124101.1 Ų101.157%0.57450%0.498SS*.  trans-110.6133.4-179.8-57.4-77000111.1
117T87.6Confident90.2Very high89 Ų89103.9 Ų103.955%0.54651%0.508SS..  trans-133.6155.3176.255.50000111.5E19 Y115E19-T117 HydrophobicContact CB-CG2 4.49Å; E19-T117 HydrophobicContact CG-CG2 3.98Å; Y115-T117 HydrophobicContact CD2-CG2 3.74Å; Y115-T117 HydrophobicContact CE2-CG2 3.66Å
118C85.2Confident90.4Very high54 Ų54103 Ų10337%0.36551%0.509SS..  trans-117.1112.2169.3-178.60000108.2K120 V135C118-K120 VanDerWaalsContact C-N 3.28Å; C118-K120 PolarHBondContact O-N 2.65Å; C118-V135 HydrophobicContact CB-CG1 4.18Å
119T75.8Confident90.6Very high131 Ų131102.4 Ų102.480%0.80452%0.515SS*.SBendtrans-80.57.4-165.544.90000115.8
120K77.2Confident90.8Very high182 Ų182104.8 Ų104.879%0.79152%0.522SS*.  trans-148.664.6-177.1-65.1-175.3179.91790112.4C118C118-K120 VanDerWaalsContact C-N 3.28Å; C118-K120 PolarHBondContact O-N 2.65Å
121L84Confident90.9Very high78 Ų78101.1 Ų101.141%0.40851%0.507SS..  trans-99.8103.4173.6-154.777.4000110.3V123 V133L121-V123 HydrophobicContact CD2-CG2 3.67Å; L121-V123 HydrophobicContact CG-CG2 3.8Å; L121-V133 HydrophobicContact CD1-CB 3.79Å; L121-V133 HydrophobicContact CD1-CG2 3.56Å; L121-V133 HydrophobicContact CD2-CG2 4.43Å; L121-V133 HydrophobicContact CG-CG2 4.26Å
122E86.8Confident90.9Very high182 Ų182101 Ų10185%0.8551%0.506SS*.  trans-90.9105.3172-70.1-174.7-170.500109.9
123V91.3Very high90.8Very high39 Ų3999.6 Ų99.624%0.23650%0.499CS..  trans-116.2124.9178.2-179.90000109.4L121 L125 V133 I143L121-V123 HydrophobicContact CD2-CG2 3.67Å; L121-V123 HydrophobicContact CG-CG2 3.8Å; V123-L125 HydrophobicContact CG1-CD2 3.66Å; V123-L125 HydrophobicContact CG1-CG 4.26Å; V123-L125 PolarHBondContact O-N 2.79Å; V123-V133 HydrophobicContact CG2-CG1 4.35Å; V123-I143 HydrophobicContact CG1-CB 4.35Å; V123-I143 HydrophobicContact CG1-CG1 4.46Å; V123-I143 HydrophobicContact CG1-CG2 3.67Å; V123-I143 HydrophobicContact CG2-CG1 4.14Å
124K95.1Very high90.6Very high118 Ų11898 Ų9851%0.51349%0.487SS..  trans-83.795.3174.5-63.7177.2-179.1171.90109.8N126 Q131K124-N126 VanDerWaalsContact C-N 3.31Å; K124-N126 PolarHBondContact O-N 2.93Å; K124-Q131 PolarHBondContact O-NE2 3.4Å
125L95Very high90.2Very high59 Ų5993.1 Ų93.131%0.30947%0.467SS..THydrogen-bonded Turntrans-77.1-13.3179.7-62.5179.1000114I46 F49 V123 V145I46-L125 HydrophobicContact CB-CD2 4.4Å; I46-L125 HydrophobicContact CD1-CD2 4.01Å; I46-L125 HydrophobicContact CG2-CD2 4.16Å; F49-L125 PolarHBondContact N-O 3.41Å; V123-L125 HydrophobicContact CG1-CD2 3.66Å; V123-L125 HydrophobicContact CG1-CG 4.26Å; V123-L125 PolarHBondContact O-N 2.79Å; L125-V145 HydrophobicContact CD2-CG2 4.18Å; L125-V145 WeakPolarHBondContact O-CG1 3.24Å
126N95.1Very high89.7Confident85 Ų8592.3 Ų92.346%0.45548%0.48SS..THydrogen-bonded Turntrans-82.8-10.5-178.364.1-19.7000114.1Q48 F49 K124Q48-N126 PolarHBondContact NE2-O 2.75Å; F49-N126 HydrophobicContact CD1-CB 3.9Å; F49-N126 HydrophobicContact CE1-CB 3.31Å; F49-N126 HydrophobicContact CZ-CB 3.98Å; K124-N126 VanDerWaalsContact C-N 3.31Å; K124-N126 PolarHBondContact O-N 2.93Å
127R94Very high89.3Confident165 Ų16589.9 Ų89.962%0.62348%0.481SS*.SBendtrans-113.7121.1-178.2-66.9-178.2-177.7-167.4-1.6109.9V145R127-V145 VanDerWaalsContact O-CB 3.29Å; R127-V145 WeakPolarHBondContact O-CB 3.4Å; R127-V145 VanDerWaalsContact O-CG1 3.3Å; R127-V145 WeakPolarHBondContact O-CG1 3.49Å
128V97.2Very high88.7Confident84 Ų8494.6 Ų94.651%0.50949%0.494SS..  trans-64.9134.5170172.10000109.1Q48 V145 D147Q48-V128 HydrophobicContact CB-CG2 4.43Å; Q48-V128 HydrophobicContact CG-CG2 4.28Å; V128-V145 CarbonylContact C-O 3.58Å; V128-V145 WeakPolarHBondContact CA-O 3.43Å; V128-D147 HydrophobicContact CG2-CB 4.15Å
129G97.6Very high88.8Confident35 Ų3596.3 Ų96.336%0.36150%0.5SS..EExtended strand (participates in β ladder)trans141.3-176.5-178.600000112.6V145G129-V145 PolarHBondContact N-O 3.22Å; G129-V145 PolarHBondContact O-N 3.13Å
130E97.8Very high89.5Confident104 Ų10495.6 Ų95.649%0.48649%0.49SS..EExtended strand (participates in β ladder)trans-99.9141.5178.8-175.4177.3156.900111.2R142 I143 I144E130-R142 IonicContact OE1-CZ 3.18Å; E130-R142 VanDerWaalsContact OE1-CZ 3.25Å; E130-R142 IonicContact OE1-NE 2.66Å; E130-R142 PolarHBondContact OE1-NE 3.07Å; E130-R142 IonicContact OE1-NH2 3.92Å; E130-R142 PolarHBondContact OE1-NH2 2.97Å; E130-R142 IonicContact OE2-CZ 2.68Å; E130-R142 IonicContact OE2-NE 3.17Å; E130-R142 IonicContact OE2-NH2 3.61Å; E130-R142 PolarHBondContact OE2-NH2 3.22Å; E130-I143 CarbonylContact C-O 3.57Å; E130-I143 WeakPolarHBondContact CA-O 3.5Å; E130-I144 HydrophobicContact CG-CG1 4.43Å
131Q96.2Very high90.2Very high43 Ų4388.2 Ų88.220%0.20146%0.458CS..EExtended strand (participates in β ladder)trans-129139.7172.2-67.7167.388.300108.5K124 I143K124-Q131 PolarHBondContact O-NE2 3.4Å; Q131-I143 HydrophobicContact CB-CB 4.43Å; Q131-I143 PolarHBondContact N-O 2.86Å; Q131-I143 PolarHBondContact O-N 2.88Å
132V94.1Very high90.8Very high88 Ų8889.1 Ų89.153%0.53346%0.456SS..EExtended strand (participates in β ladder)trans-105123.4169-179.20000107.6I140 R142V132-I140 HydrophobicContact CG1-CB 3.96Å; V132-I140 HydrophobicContact CG1-CD1 4.36Å; V132-I140 HydrophobicContact CG1-CG2 4.22Å; V132-R142 HydrophobicContact CG2-CG 4.47Å
133V91.7Very high91.2Very high16 Ų1680.6 Ų80.610%0.09742%0.417CS..EExtended strand (participates in β ladder)trans-116.9142.6-179.5-64.40000110L121 V123 I140 M141 I143L121-V133 HydrophobicContact CD1-CB 3.79Å; L121-V133 HydrophobicContact CD1-CG2 3.56Å; L121-V133 HydrophobicContact CD2-CG2 4.43Å; L121-V133 HydrophobicContact CG-CG2 4.26Å; V123-V133 HydrophobicContact CG2-CG1 4.35Å; V133-I140 CarbonylContact O-C 3.26Å; V133-I140 WeakPolarHBondContact O-CA 3.26Å; V133-M141 HydrophobicContact CG2-CB 3.99Å; V133-M141 WeakPolarHBondContact CG2-O 3.47Å; V133-M141 PolarHBondContact N-O 3.15Å; V133-M141 PolarHBondContact O-N 3.31Å; V133-I143 HydrophobicContact CG1-CG1 4.29Å; V133-I143 HydrophobicContact CG2-CD1 4.15Å; V133-I143 HydrophobicContact CG2-CG1 3.73Å
134R88.9Confident91.5Very high174 Ų17480.5 Ų80.566%0.65742%0.415SS*.EExtended strand (participates in β ladder)trans-81.7130.4175.9-168179.2-176.3163.4-0.7109.4G136 A137 D139R134-G136 PolarHBondContact NE-O 2.94Å; R134-A137 PolarHBondContact NE-O 2.98Å; R134-A137 PolarHBondContact NH2-O 3.02Å; R134-D139 WeakPolarHBondContact CA-O 3.21Å
135V85.4Confident91.7Very high37 Ų3775 Ų7522%0.22439%0.39CS..EExtended strand (participates in β ladder)trans-110.3109.9175.8-176.20000107.6C118 D139 M141C118-V135 HydrophobicContact CB-CG1 4.18Å; V135-D139 HydrophobicContact CB-CB 4.31Å; V135-D139 PolarHBondContact N-O 2.67Å; V135-D139 PolarHBondContact O-N 2.96Å; V135-M141 HydrophobicContact CG2-CB 3.6Å; V135-M141 HydrophobicContact CG2-CE 4.17Å
136G80.8Confident91.8Very high52 Ų5272.7 Ų72.754%0.53638%0.378SS..THydrogen-bonded Turntrans62.3-142.7-17500000113.5R134R134-G136 PolarHBondContact NE-O 2.94Å
137A78.7Confident91.8Very high73 Ų7369.8 Ų69.860%0.60336%0.363SS*.THydrogen-bonded Turntrans-84.5-28.1-170.800000114.3R134R134-A137 PolarHBondContact NE-O 2.98Å; R134-A137 PolarHBondContact NH2-O 3.02Å
138K75.6Confident91.8Very high188 Ų18862.3 Ų62.382%0.81734%0.336SS*.THydrogen-bonded Turntrans-135.1-23.4-171.1-68-173.4179.7-179.40114.4
139D86.3Confident91.6Very high89 Ų8959.5 Ų59.548%0.47632%0.319SS..EExtended strand (participates in β ladder)trans-85.7153.2-171.4-55-58000111.5R134 V135R134-D139 WeakPolarHBondContact CA-O 3.21Å; V135-D139 HydrophobicContact CB-CB 4.31Å; V135-D139 PolarHBondContact N-O 2.67Å; V135-D139 PolarHBondContact O-N 2.96Å
140I90Very high91.4Very high116 Ų11663.8 Ų63.860%0.59533%0.327SS*.EExtended strand (participates in β ladder)trans-121.9144.4173.957.4169.3000108.9V132 V133V132-I140 HydrophobicContact CG1-CB 3.96Å; V132-I140 HydrophobicContact CG1-CD1 4.36Å; V132-I140 HydrophobicContact CG1-CG2 4.22Å; V133-I140 CarbonylContact O-C 3.26Å; V133-I140 WeakPolarHBondContact O-CA 3.26Å
141M93.1Very high91.3Very high28 Ų2861.3 Ų61.314%0.13832%0.316CS..EExtended strand (participates in β ladder)trans-125.3135.8173.1178-173-71.700108.5V41 V44 V133 V135 I143V41-M141 HydrophobicContact CB-CE 3.8Å; V41-M141 HydrophobicContact CG1-CE 3.98Å; V41-M141 WeakPolarHBondContact O-CE 3.47Å; V44-M141 HydrophobicContact CG2-CE 4.44Å; V44-M141 HydrophobicContact CG2-CG 4.38Å; V44-M141 HydrophobicContact CG2-SD 3.64Å; V133-M141 HydrophobicContact CG2-CB 3.99Å; V133-M141 WeakPolarHBondContact CG2-O 3.47Å; V133-M141 PolarHBondContact N-O 3.15Å; V133-M141 PolarHBondContact O-N 3.31Å; V135-M141 HydrophobicContact CG2-CB 3.6Å; V135-M141 HydrophobicContact CG2-CE 4.17Å; M141-I143 HydrophobicContact CG-CD1 3.9Å; M141-I143 HydrophobicContact SD-CD1 3.63Å
142R95.6Very high91.3Very high96 Ų9659.6 Ų59.636%0.36231%0.307SS..EExtended strand (participates in β ladder)trans-86.7128.8172.7-65.9176.267-126.94.6109S42 T43 V44 E130 V132S42-R142 PolarHBondContact O-N 3.38Å; T43-R142 CarbonylContact C-O 3.59Å; T43-R142 VanDerWaalsContact CA-O 3.24Å; T43-R142 WeakPolarHBondContact CA-O 3.42Å; T43-R142 HydrophobicContact CG2-CB 4.17Å; V44-R142 PolarHBondContact N-O 3.19Å; E130-R142 IonicContact OE1-CZ 3.18Å; E130-R142 VanDerWaalsContact OE1-CZ 3.25Å; E130-R142 IonicContact OE1-NE 2.66Å; E130-R142 PolarHBondContact OE1-NE 3.07Å; E130-R142 IonicContact OE1-NH2 3.92Å; E130-R142 PolarHBondContact OE1-NH2 2.97Å; E130-R142 IonicContact OE2-CZ 2.68Å; E130-R142 IonicContact OE2-NE 3.17Å; E130-R142 IonicContact OE2-NH2 3.61Å; E130-R142 PolarHBondContact OE2-NH2 3.22Å; V132-R142 HydrophobicContact CG2-CG 4.47Å
143I96.6Very high91.3Very high4 Ų455.6 Ų55.62%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-112.6118.1171.9-49.5-63.3000108.3V44 V123 E130 Q131 V133 M141 V145V44-I143 HydrophobicContact CB-CD1 3.86Å; V44-I143 HydrophobicContact CG2-CD1 4.21Å; V44-I143 WeakPolarHBondContact O-CA 3.48Å; V123-I143 HydrophobicContact CG1-CB 4.35Å; V123-I143 HydrophobicContact CG1-CG1 4.46Å; V123-I143 HydrophobicContact CG1-CG2 3.67Å; V123-I143 HydrophobicContact CG2-CG1 4.14Å; E130-I143 CarbonylContact C-O 3.57Å; E130-I143 WeakPolarHBondContact CA-O 3.5Å; Q131-I143 HydrophobicContact CB-CB 4.43Å; Q131-I143 PolarHBondContact N-O 2.86Å; Q131-I143 PolarHBondContact O-N 2.88Å; V133-I143 HydrophobicContact CG1-CG1 4.29Å; V133-I143 HydrophobicContact CG2-CD1 4.15Å; V133-I143 HydrophobicContact CG2-CG1 3.73Å; M141-I143 HydrophobicContact CG-CD1 3.9Å; M141-I143 HydrophobicContact SD-CD1 3.63Å; I143-V145 HydrophobicContact CG2-CG2 4.29Å
144I97.9Very high91.4Very high37 Ų3760.5 Ų60.519%0.1930%0.304CS..EExtended strand (participates in β ladder)trans-106.1109.5177.3-56.5174.3000107.7T43 V44 M45 I46 E130T43-I144 HydrophobicContact CG2-CD1 3.85Å; T43-I144 HydrophobicContact CG2-CG1 4.22Å; V44-I144 PolarHBondContact O-N 3.38Å; M45-I144 WeakPolarHBondContact CA-O 3.37Å; M45-I144 HydrophobicContact CE-CB 4.47Å; M45-I144 HydrophobicContact CE-CG2 4.1Å; M45-I144 HydrophobicContact CG-CB 4.16Å; M45-I144 HydrophobicContact CG-CD1 4.27Å; I46-I144 PolarHBondContact N-O 3.49Å; E130-I144 HydrophobicContact CG-CG1 4.43Å
145V98Very high91.7Very high1 Ų153.2 Ų53.21%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-94.1122.5172.2-178.90000108.1I46 Q48 L125 R127 V128 G129 I143I46-V145 VanDerWaalsContact O-CA 3.28Å; I46-V145 WeakPolarHBondContact O-CA 3.39Å; Q48-V145 HydrophobicContact CB-CG1 4.44Å; L125-V145 HydrophobicContact CD2-CG2 4.18Å; L125-V145 WeakPolarHBondContact O-CG1 3.24Å; R127-V145 VanDerWaalsContact O-CB 3.29Å; R127-V145 WeakPolarHBondContact O-CB 3.4Å; R127-V145 VanDerWaalsContact O-CG1 3.3Å; R127-V145 WeakPolarHBondContact O-CG1 3.49Å; V128-V145 CarbonylContact C-O 3.58Å; V128-V145 WeakPolarHBondContact CA-O 3.43Å; G129-V145 PolarHBondContact N-O 3.22Å; G129-V145 PolarHBondContact O-N 3.13Å; I143-V145 HydrophobicContact CG2-CG2 4.29Å
146F97.1Very high92.2Very high12 Ų1251.4 Ų51.45%0.05327%0.269CS..EExtended strand (participates in β ladder)trans-130.3160-175.770.3-79.9000112.8M45 I46 G47 Q48 M52 A60 S148 E151M45-F146 HydrophobicContact CB-CD1 4.46Å; M45-F146 HydrophobicContact CB-CE1 4.06Å; M45-F146 HydrophobicContact CE-CD1 4.27Å; M45-F146 HydrophobicContact CE-CE1 4.37Å; I46-F146 VanDerWaalsContact O-CD1 3.26Å; I46-F146 WeakPolarHBondContact O-CD1 3.3Å; I46-F146 PolarHBondContact O-N 3.35Å; G47-F146 CarbonylContact C-O 3.56Å; G47-F146 WeakPolarHBondContact CA-O 3.4Å; Q48-F146 PolarHBondContact N-O 3.09Å; M52-F146 HydrophobicContact CE-CE1 4.34Å; M52-F146 HydrophobicContact CE-CE2 3.94Å; M52-F146 HydrophobicContact CE-CZ 3.4Å; M52-F146 HydrophobicContact SD-CE1 4.26Å; M52-F146 HydrophobicContact SD-CZ 3.86Å; A60-F146 HydrophobicContact CB-CE2 4.12Å; A60-F146 HydrophobicContact CB-CZ 3.76Å; F146-S148 PolarHBondContact O-N 3.35Å; F146-S148 VanDerWaalsContact O-N 3.16Å; F146-E151 VanDerWaalsContact CD2-CD 3.44Å; F146-E151 HydrophobicContact CD2-CG 4.35Å; F146-E151 WeakPolarHBondContact CD2-OE1 3.21Å; F146-E151 WeakPolarHBondContact CD2-OE2 3.31Å
147D95.4Very high92.8Very high24 Ų2453.9 Ų53.913%0.12827%0.266CS..  trans-84.789.2177.7-172.1-10.6000109.9V128 V149 K150 E151 R192V128-D147 HydrophobicContact CG2-CB 4.15Å; D147-V149 VanDerWaalsContact C-N 3.27Å; D147-V149 PolarHBondContact O-N 3.25Å; D147-V149 PolarHBondContact OD1-N 3.03Å; D147-K150 HydrophobicContact CB-CB 3.85Å; D147-K150 PolarHBondContact O-N 2.95Å; D147-K150 PolarHBondContact OD1-N 3.27Å; D147-K150 WeakPolarHBondContact OD2-CB 3.32Å; D147-E151 PolarHBondContact O-N 3.18Å; D147-R192 IonicContact OD1-CZ 2.69Å; D147-R192 IonicContact OD1-NH1 2.6Å; D147-R192 PolarHBondContact OD1-NH1 2.99Å; D147-R192 IonicContact OD1-NH2 3.41Å; D147-R192 PolarHBondContact OD1-NH2 3.39Å; D147-R192 IonicContact OD2-CZ 2.92Å; D147-R192 IonicContact OD2-NH1 3.92Å; D147-R192 IonicContact OD2-NH2 3.57Å; D147-R192 PolarHBondContact OD2-NH2 3.49Å
148S94.6Very high93.5Very high8 Ų854.2 Ų54.26%0.05626%0.264CS..Hα-helixtrans-58.9-36.3-177580000112.9V51 F146 Y152V51-S148 PolarHBondContact O-OG 3.31Å; F146-S148 PolarHBondContact O-N 3.35Å; F146-S148 VanDerWaalsContact O-N 3.16Å; S148-Y152 WeakPolarHBondContact O-CB 2.92Å; S148-Y152 PolarHBondContact O-N 3.47Å
149V93.1Very high94.4Very high25 Ų2545.8 Ų45.815%0.15223%0.228CC..Hα-helixtrans-69.7-40.5178.6-175.80000110.7D147 G153 R192 L193D147-V149 VanDerWaalsContact C-N 3.27Å; D147-V149 PolarHBondContact O-N 3.25Å; D147-V149 PolarHBondContact OD1-N 3.03Å; V149-G153 WeakPolarHBondContact O-CA 3.38Å; V149-G153 PolarHBondContact O-N 3.42Å; V149-R192 HydrophobicContact CB-CB 4.48Å; V149-R192 HydrophobicContact CG1-CB 3.74Å; V149-L193 HydrophobicContact CG1-CD2 4.05Å; V149-L193 HydrophobicContact CG1-CG 4.34Å
150K93.4Very high94.7Very high125 Ų12541.9 Ų41.954%0.54321%0.207SC..Hα-helixtrans-65.1-44.4176.3-177179.8-177.5178.40112D147 G153 K154D147-K150 HydrophobicContact CB-CB 3.85Å; D147-K150 PolarHBondContact O-N 2.95Å; D147-K150 PolarHBondContact OD1-N 3.27Å; D147-K150 WeakPolarHBondContact OD2-CB 3.32Å; K150-G153 PolarHBondContact O-N 3.05Å; K150-K154 WeakPolarHBondContact O-CG 3.45Å; K150-K154 PolarHBondContact O-N 2.86Å; K150-K154 VanDerWaalsContact O-N 3.09Å
151E95.1Very high94.8Very high52 Ų5238.7 Ų38.724%0.24319%0.191CC..Hα-helixtrans-66.5-48.7178.8-73.4-175.5-159.700111.9H64 F146 D147 G153 K154 C155H64-E151 IonicContact CD2-OE2 2.81Å; H64-E151 IonicContact CE1-OE2 3.03Å; H64-E151 IonicContact NE2-OE1 2.86Å; H64-E151 IonicContact NE2-OE2 3.16Å; H64-E151 PolarHBondContact NE2-OE2 3.13Å; F146-E151 VanDerWaalsContact CD2-CD 3.44Å; F146-E151 HydrophobicContact CD2-CG 4.35Å; F146-E151 WeakPolarHBondContact CD2-OE1 3.21Å; F146-E151 WeakPolarHBondContact CD2-OE2 3.31Å; D147-E151 PolarHBondContact O-N 3.18Å; E151-G153 VanDerWaalsContact C-N 3.31Å; E151-G153 PolarHBondContact O-N 3.31Å; E151-K154 WeakPolarHBondContact O-CB 3.18Å; E151-K154 PolarHBondContact O-N 3.01Å; E151-C155 PolarHBondContact O-N 3.44Å
152Y95.9Very high94.8Very high6 Ų638 Ų382%0.02419%0.187CC..Hα-helixtrans-60.2-41.1174.4176.2-90.9000112.1P55 A56 L59 S148 K154 C155 M156 L193 D343 I345P55-Y152 HydrophobicContact CB-CE2 4.19Å; A56-Y152 HydrophobicContact CB-CD2 4.1Å; A56-Y152 HydrophobicContact CB-CG 4.22Å; L59-Y152 HydrophobicContact CD2-CD2 4.03Å; S148-Y152 WeakPolarHBondContact O-CB 2.92Å; S148-Y152 PolarHBondContact O-N 3.47Å; Y152-K154 VanDerWaalsContact C-N 3.32Å; Y152-K154 PolarHBondContact O-N 3.33Å; Y152-C155 WeakPolarHBondContact O-CB 3.13Å; Y152-C155 PolarHBondContact O-N 2.97Å; Y152-C155 VanDerWaalsContact O-N 3.1Å; Y152-M156 HydrophobicContact CD1-CG 4.11Å; Y152-M156 HydrophobicContact CE1-CE 4.48Å; Y152-M156 HydrophobicContact CE1-CG 3.48Å; Y152-M156 VanDerWaalsContact CE1-CG 3.48Å; Y152-M156 HydrophobicContact CE1-SD 4.25Å; Y152-M156 HydrophobicContact CE2-CE 3.84Å; Y152-M156 HydrophobicContact CE2-CG 4.48Å; Y152-M156 PolarHBondContact O-N 3.11Å; Y152-M156 PolarHBondContact OH-SD 2.79Å; Y152-M156 VanDerWaalsContact OH-SD 3.39Å; Y152-L193 HydrophobicContact CD1-CD2 3.87Å; Y152-L193 HydrophobicContact CE1-CD2 4.21Å; Y152-D343 WeakPolarHBondContact CE2-OD2 3.29Å; Y152-D343 PolarHBondContact OH-OD1 3.34Å; Y152-D343 PolarHBondContact OH-OD2 3.08Å; Y152-I345 HydrophobicContact CE1-CB 4.39Å; Y152-I345 HydrophobicContact CE1-CD1 3.61Å; Y152-I345 HydrophobicContact CE1-CG2 4.25Å
153G94.4Very high94.6Very high4 Ų442 Ų424%0.04120%0.202CC..Hα-helixtrans-60.1-37.5176.200000113.3V149 K150 E151 M156 Q157V149-G153 WeakPolarHBondContact O-CA 3.38Å; V149-G153 PolarHBondContact O-N 3.42Å; K150-G153 PolarHBondContact O-N 3.05Å; E151-G153 VanDerWaalsContact C-N 3.31Å; E151-G153 PolarHBondContact O-N 3.31Å; G153-M156 PolarHBondContact O-N 3.49Å; G153-Q157 VanDerWaalsContact O-CG 3.29Å; G153-Q157 WeakPolarHBondContact O-CG 3.37Å; G153-Q157 PolarHBondContact O-N 2.79Å
154K94.2Very high94.2Very high119 Ų11945.9 Ų45.952%0.51722%0.22SC..Hα-helixtrans-63.3-40.6173-72.1171.5-178.2179.30112K150 E151 Y152 Q157 S158K150-K154 WeakPolarHBondContact O-CG 3.45Å; K150-K154 PolarHBondContact O-N 2.86Å; K150-K154 VanDerWaalsContact O-N 3.09Å; E151-K154 WeakPolarHBondContact O-CB 3.18Å; E151-K154 PolarHBondContact O-N 3.01Å; Y152-K154 VanDerWaalsContact C-N 3.32Å; Y152-K154 PolarHBondContact O-N 3.33Å; K154-Q157 PolarHBondContact O-N 3.5Å; K154-S158 PolarHBondContact O-N 3.18Å; K154-S158 VanDerWaalsContact O-N 3.09Å
155C95.4Very high93.9Very high21 Ų2144.1 Ų44.114%0.14221%0.211CC..Hα-helixtrans-60-49.6174179.20000110.2L59 E151 Y152 Q157 S158 L159L59-C155 HydrophobicContact CD1-CB 4.33Å; L59-C155 HydrophobicContact CD2-CB 3.51Å; E151-C155 PolarHBondContact O-N 3.44Å; Y152-C155 WeakPolarHBondContact O-CB 3.13Å; Y152-C155 PolarHBondContact O-N 2.97Å; Y152-C155 VanDerWaalsContact O-N 3.1Å; C155-Q157 VanDerWaalsContact C-N 3.31Å; C155-Q157 PolarHBondContact O-N 3.47Å; C155-S158 WeakPolarHBondContact O-CA 3.34Å; C155-S158 WeakPolarHBondContact O-CB 3.48Å; C155-S158 PolarHBondContact O-N 2.9Å; C155-S158 PolarHBondContact O-OG 3.36Å; C155-L159 WeakPolarHBondContact O-CG 3.38Å; C155-L159 PolarHBondContact O-N 3.27Å
156M95.3Very high93.5Very high0 Ų049.5 Ų49.50%023%0.231CC..Hα-helixtrans-59.8-38.8177.7-66.7-56.3106.400113Y152 G153 S158 L159 F160 F162 W346 L349Y152-M156 HydrophobicContact CD1-CG 4.11Å; Y152-M156 HydrophobicContact CE1-CE 4.48Å; Y152-M156 HydrophobicContact CE1-CG 3.48Å; Y152-M156 VanDerWaalsContact CE1-CG 3.48Å; Y152-M156 HydrophobicContact CE1-SD 4.25Å; Y152-M156 HydrophobicContact CE2-CE 3.84Å; Y152-M156 HydrophobicContact CE2-CG 4.48Å; Y152-M156 PolarHBondContact O-N 3.11Å; Y152-M156 PolarHBondContact OH-SD 2.79Å; Y152-M156 VanDerWaalsContact OH-SD 3.39Å; G153-M156 PolarHBondContact O-N 3.49Å; M156-S158 PolarHBondContact O-N 2.86Å; M156-L159 HydrophobicContact CE-CD1 3.73Å; M156-L159 PolarHBondContact O-N 3.38Å; M156-L159 VanDerWaalsContact O-N 3.12Å; M156-L159 HydrophobicContact SD-CD1 4.45Å; M156-F160 WeakPolarHBondContact O-CD2 3.45Å; M156-F160 PolarHBondContact O-N 3.14Å; M156-F160 HydrophobicContact SD-CD2 4.45Å; M156-F160 HydrophobicContact SD-CE2 4.13Å; M156-F162 HydrophobicContact CB-CE1 4.15Å; M156-F162 HydrophobicContact CB-CZ 3.73Å; M156-W346 HydrophobicContact SD-CB 4.25Å; M156-L349 HydrophobicContact CB-CD1 3.98Å; M156-L349 HydrophobicContact CG-CD1 4.05Å; M156-L349 HydrophobicContact SD-CD1 3.98Å
157Q93.1Very high93.2Very high104 Ų10449.6 Ų49.649%0.48624%0.235SC..Hα-helixtrans-62.5-29.4173.5-75.9173.35.700113.5G153 K154 C155 L159 F162G153-Q157 VanDerWaalsContact O-CG 3.29Å; G153-Q157 WeakPolarHBondContact O-CG 3.37Å; G153-Q157 PolarHBondContact O-N 2.79Å; K154-Q157 PolarHBondContact O-N 3.5Å; C155-Q157 VanDerWaalsContact C-N 3.31Å; C155-Q157 PolarHBondContact O-N 3.47Å; Q157-L159 VanDerWaalsContact C-N 3.35Å; Q157-F162 HydrophobicContact CB-CD2 4.44Å; Q157-F162 HydrophobicContact CB-CE2 4.35Å; Q157-F162 HydrophobicContact CG-CD1 4.3Å; Q157-F162 HydrophobicContact CG-CD2 3.22Å; Q157-F162 HydrophobicContact CG-CE1 4.25Å; Q157-F162 HydrophobicContact CG-CE2 3.15Å; Q157-F162 HydrophobicContact CG-CG 3.82Å; Q157-F162 HydrophobicContact CG-CZ 3.71Å
158S92.7Very high92.9Very high79 Ų7948.5 Ų48.555%0.55223%0.229SC*.Hα-helixtrans-75.7-27.2175.7810000112.4K154 C155 M156K154-S158 PolarHBondContact O-N 3.18Å; K154-S158 VanDerWaalsContact O-N 3.09Å; C155-S158 WeakPolarHBondContact O-CA 3.34Å; C155-S158 WeakPolarHBondContact O-CB 3.48Å; C155-S158 PolarHBondContact O-N 2.9Å; C155-S158 PolarHBondContact O-OG 3.36Å; M156-S158 PolarHBondContact O-N 2.86Å
159L94.3Very high92.7Very high11 Ų1148.7 Ų48.76%0.05823%0.229CC..Hα-helixtrans-89.7-32.2-176.9-61.6179000112.7C155 M156 Q157 F274 F336 H338C155-L159 WeakPolarHBondContact O-CG 3.38Å; C155-L159 PolarHBondContact O-N 3.27Å; M156-L159 HydrophobicContact CE-CD1 3.73Å; M156-L159 PolarHBondContact O-N 3.38Å; M156-L159 VanDerWaalsContact O-N 3.12Å; M156-L159 HydrophobicContact SD-CD1 4.45Å; Q157-L159 VanDerWaalsContact C-N 3.35Å; L159-F274 HydrophobicContact CD2-CB 4.03Å; L159-F274 HydrophobicContact CD2-CD2 3.69Å; L159-F274 HydrophobicContact CD2-CE2 4.31Å; L159-F274 HydrophobicContact CD2-CG 3.82Å; L159-F274 PolarHBondContact O-N 3.33Å; L159-F336 HydrophobicContact CD1-CD1 4.44Å; L159-F336 HydrophobicContact CD2-CE1 4.04Å; L159-H338 HydrophobicContact CD1-CB 4.05Å
160F94.2Very high92.5Very high7 Ų750.7 Ų50.73%0.03124%0.244CC..SBendtrans-127157.2-173-60.9-78.2000112.9M156 F162 M165 L272 W346 L349 A350 S353M156-F160 WeakPolarHBondContact O-CD2 3.45Å; M156-F160 PolarHBondContact O-N 3.14Å; M156-F160 HydrophobicContact SD-CD2 4.45Å; M156-F160 HydrophobicContact SD-CE2 4.13Å; F160-F162 HydrophobicContact CB-CD1 4.17Å; F160-F162 HydrophobicContact CB-CE1 4.09Å; F160-F162 PolarHBondContact O-N 3.07Å; F160-M165 HydrophobicContact CB-CE 3.79Å; F160-M165 HydrophobicContact CB-SD 4.4Å; F160-M165 HydrophobicContact CD1-CE 3.92Å; F160-M165 HydrophobicContact CG-CE 4.05Å; F160-L272 HydrophobicContact CE1-CD2 3.94Å; F160-L272 HydrophobicContact CE1-CG 3.99Å; F160-L272 HydrophobicContact CZ-CD2 4.4Å; F160-W346 AromaticContact CE2-CD1 3.5Å; F160-W346 VanDerWaalsContact CE2-CD1 3.5Å; F160-W346 HydrophobicContact CE2-CG 4.21Å; F160-W346 AromaticContact CE2-NE1 3.91Å; F160-W346 AromaticContact CZ-CD1 3.56Å; F160-W346 HydrophobicContact CZ-CG 4.12Å; F160-W346 AromaticContact CZ-NE1 3.57Å; F160-L349 HydrophobicContact CD1-CB 3.98Å; F160-L349 HydrophobicContact CD2-CB 3.7Å; F160-L349 HydrophobicContact CD2-CD1 3.62Å; F160-L349 HydrophobicContact CD2-CG 4.28Å; F160-L349 VanDerWaalsContact CE1-C 3.48Å; F160-L349 HydrophobicContact CE1-CB 3.8Å; F160-L349 HydrophobicContact CE2-CB 3.49Å; F160-L349 VanDerWaalsContact CE2-CB 3.49Å; F160-L349 HydrophobicContact CE2-CD1 3.79Å; F160-L349 HydrophobicContact CE2-CG 4.3Å; F160-L349 HydrophobicContact CG-CB 3.93Å; F160-L349 HydrophobicContact CG-CD1 4.37Å; F160-L349 HydrophobicContact CZ-CB 3.54Å; F160-A350 HydrophobicContact CE1-CB 4.39Å; F160-A350 HydrophobicContact CZ-CB 4.46Å; F160-S353 WeakPolarHBondContact CD1-OG 3.33Å
161D92Very high92.2Very high50 Ų5045 Ų4527%0.26722%0.221SC..  trans-92.289.9178.3-169.7-27.3000110.4W163 Q164 M165 P273D161-W163 PolarHBondContact O-N 2.99Å; D161-W163 WeakPolarHBondContact OD1-CA 3.17Å; D161-W163 WeakPolarHBondContact OD1-CB 3.44Å; D161-W163 PolarHBondContact OD1-N 2.99Å; D161-Q164 HydrophobicContact CB-CB 4.13Å; D161-Q164 HydrophobicContact CB-CG 4.39Å; D161-Q164 PolarHBondContact O-N 3.1Å; D161-Q164 PolarHBondContact OD1-N 3.13Å; D161-Q164 WeakPolarHBondContact OD2-CG 3.49Å; D161-Q164 PolarHBondContact OD2-NE2 3.07Å; D161-M165 WeakPolarHBondContact O-CG 3.33Å; D161-M165 PolarHBondContact O-N 3.46Å; D161-P273 HydrophobicContact CB-CG 3.96Å
162F92.5Very high91.8Very high12 Ų1247.2 Ų47.25%0.05324%0.242CC..Hα-helixtrans-64.9-22.3179.7-78.320.8000112.6M156 Q157 F160 M165 R166 V195 L349M156-F162 HydrophobicContact CB-CE1 4.15Å; M156-F162 HydrophobicContact CB-CZ 3.73Å; Q157-F162 HydrophobicContact CB-CD2 4.44Å; Q157-F162 HydrophobicContact CB-CE2 4.35Å; Q157-F162 HydrophobicContact CG-CD1 4.3Å; Q157-F162 HydrophobicContact CG-CD2 3.22Å; Q157-F162 HydrophobicContact CG-CE1 4.25Å; Q157-F162 HydrophobicContact CG-CE2 3.15Å; Q157-F162 HydrophobicContact CG-CG 3.82Å; Q157-F162 HydrophobicContact CG-CZ 3.71Å; F160-F162 HydrophobicContact CB-CD1 4.17Å; F160-F162 HydrophobicContact CB-CE1 4.09Å; F160-F162 PolarHBondContact O-N 3.07Å; F162-M165 HydrophobicContact CD1-SD 4.18Å; F162-R166 WeakPolarHBondContact O-CG 3.45Å; F162-R166 PolarHBondContact O-N 3.01Å; F162-R166 VanDerWaalsContact O-N 3.09Å; F162-V195 HydrophobicContact CD1-CG2 3.73Å; F162-V195 HydrophobicContact CD2-CB 4.49Å; F162-V195 HydrophobicContact CD2-CG2 3.23Å; F162-V195 HydrophobicContact CE1-CG2 3.48Å; F162-V195 VanDerWaalsContact CE1-CG2 3.48Å; F162-V195 HydrophobicContact CE2-CB 4.4Å; F162-V195 HydrophobicContact CE2-CG2 2.94Å; F162-V195 HydrophobicContact CG-CG2 3.63Å; F162-V195 HydrophobicContact CZ-CG2 3.09Å; F162-L349 HydrophobicContact CE1-CD1 4.28Å
163W91Very high91Very high182 Ų18248.8 Ų48.869%0.68925%0.25SS*.Hα-helixtrans-72.9-46.2176.9-175.292.2000110.6D161 M165 R166 A167D161-W163 PolarHBondContact O-N 2.99Å; D161-W163 WeakPolarHBondContact OD1-CA 3.17Å; D161-W163 WeakPolarHBondContact OD1-CB 3.44Å; D161-W163 PolarHBondContact OD1-N 2.99Å; W163-M165 VanDerWaalsContact C-N 3.32Å; W163-M165 PolarHBondContact O-N 2.89Å; W163-R166 PolarHBondContact O-N 3.32Å; W163-A167 PolarHBondContact O-N 3.06Å
164Q89.8Confident90.5Very high84 Ų8450.8 Ų50.839%0.39326%0.262SS..Hα-helixtrans-62.8-37.7172.8-74.9-171.382.300112.2D161 R166 A167 L168 I173 M356D161-Q164 HydrophobicContact CB-CB 4.13Å; D161-Q164 HydrophobicContact CB-CG 4.39Å; D161-Q164 PolarHBondContact O-N 3.1Å; D161-Q164 PolarHBondContact OD1-N 3.13Å; D161-Q164 WeakPolarHBondContact OD2-CG 3.49Å; D161-Q164 PolarHBondContact OD2-NE2 3.07Å; Q164-R166 PolarHBondContact O-N 3.49Å; Q164-A167 CarbonylContact O-C 3.59Å; Q164-A167 WeakPolarHBondContact O-CB 3.31Å; Q164-A167 PolarHBondContact O-N 3.44Å; Q164-A167 VanDerWaalsContact O-N 3.15Å; Q164-L168 PolarHBondContact O-N 2.84Å; Q164-I173 HydrophobicContact CB-CD1 4.41Å; Q164-I173 VanDerWaalsContact O-CD1 3.25Å; Q164-I173 WeakPolarHBondContact O-CD1 3.37Å; Q164-M356 VanDerWaalsContact C-SD 3.56Å; Q164-M356 HydrophobicContact CB-SD 3.86Å
165M90.9Very high90.1Very high0 Ų048.2 Ų48.20%027%0.269CS..Hα-helixtrans-63-42175.8-70.1175.9173.500112.4F160 D161 F162 W163 A167 L168 F169 V195 L349 L352 M356F160-M165 HydrophobicContact CB-CE 3.79Å; F160-M165 HydrophobicContact CB-SD 4.4Å; F160-M165 HydrophobicContact CD1-CE 3.92Å; F160-M165 HydrophobicContact CG-CE 4.05Å; D161-M165 WeakPolarHBondContact O-CG 3.33Å; D161-M165 PolarHBondContact O-N 3.46Å; F162-M165 HydrophobicContact CD1-SD 4.18Å; W163-M165 VanDerWaalsContact C-N 3.32Å; W163-M165 PolarHBondContact O-N 2.89Å; M165-A167 VanDerWaalsContact C-N 3.3Å; M165-A167 PolarHBondContact O-N 3.49Å; M165-L168 VanDerWaalsContact O-CB 3.3Å; M165-L168 WeakPolarHBondContact O-CB 3.44Å; M165-L168 PolarHBondContact O-N 2.72Å; M165-F169 HydrophobicContact CB-CE2 4.33Å; M165-F169 WeakPolarHBondContact O-CD2 3.5Å; M165-F169 WeakPolarHBondContact O-CG 3.38Å; M165-F169 PolarHBondContact O-N 2.93Å; M165-F169 VanDerWaalsContact O-N 3.13Å; M165-V195 HydrophobicContact CB-CG1 4.04Å; M165-V195 HydrophobicContact SD-CG1 3.86Å; M165-L349 HydrophobicContact CE-CB 4.12Å; M165-L349 HydrophobicContact CE-CD2 4Å; M165-L349 WeakPolarHBondContact CE-O 3.47Å; M165-L349 HydrophobicContact SD-CD2 3.73Å; M165-L352 HydrophobicContact CE-CB 4.14Å; M165-M356 HydrophobicContact CB-SD 4.5Å; M165-M356 HydrophobicContact CE-CE 3.98Å; M165-M356 HydrophobicContact CG-CE 3.56Å; M165-M356 HydrophobicContact CG-SD 3.92Å
166R90Very high89.7Confident114 Ų11453 Ų5343%0.4329%0.293SS..Hα-helixtrans-62.7-38.4172.5-74.2-174.2-63.9-92.1-1.4112.1F162 W163 Q164 L168 F169 S170F162-R166 WeakPolarHBondContact O-CG 3.45Å; F162-R166 PolarHBondContact O-N 3.01Å; F162-R166 VanDerWaalsContact O-N 3.09Å; W163-R166 PolarHBondContact O-N 3.32Å; Q164-R166 PolarHBondContact O-N 3.49Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 3.19Å; R166-F169 PolarHBondContact O-N 3.4Å; R166-S170 PolarHBondContact O-N 3.01Å
167A89.6Confident89.4Confident15 Ų1556.1 Ų56.112%0.12431%0.313CS..Hα-helixtrans-63.8-35.3174.900000112.1W163 Q164 M165 S170 G171 S172 I173W163-A167 PolarHBondContact O-N 3.06Å; Q164-A167 CarbonylContact O-C 3.59Å; Q164-A167 WeakPolarHBondContact O-CB 3.31Å; Q164-A167 PolarHBondContact O-N 3.44Å; Q164-A167 VanDerWaalsContact O-N 3.15Å; M165-A167 VanDerWaalsContact C-N 3.3Å; M165-A167 PolarHBondContact O-N 3.49Å; A167-S170 WeakPolarHBondContact CA-OG 3.45Å; A167-S170 PolarHBondContact O-N 3.15Å; A167-S170 PolarHBondContact O-OG 3.18Å; A167-G171 PolarHBondContact O-N 2.77Å; A167-S172 PolarHBondContact O-N 3.09Å; A167-I173 HydrophobicContact CB-CD1 3.93Å; A167-I173 HydrophobicContact CB-CG1 3.92Å
168L89.3Confident89.3Confident0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-61-48.6172.2-173.573.5000111.8Q164 M165 R166 S170 G171 I173 T174 V178 L352 Y355 M356Q164-L168 PolarHBondContact O-N 2.84Å; M165-L168 VanDerWaalsContact O-CB 3.3Å; M165-L168 WeakPolarHBondContact O-CB 3.44Å; M165-L168 PolarHBondContact O-N 2.72Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 3.19Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.32Å; L168-G171 PolarHBondContact O-N 3.36Å; L168-I173 HydrophobicContact CB-CD1 4.19Å; L168-I173 HydrophobicContact CD1-CB 4.31Å; L168-I173 HydrophobicContact CD1-CG2 4.36Å; L168-T174 HydrophobicContact CD1-CG2 3.78Å; L168-V178 HydrophobicContact CD1-CB 4.48Å; L168-V178 HydrophobicContact CD1-CG2 3.62Å; L168-V178 HydrophobicContact CD2-CB 4.13Å; L168-V178 HydrophobicContact CD2-CG1 4.13Å; L168-V178 HydrophobicContact CD2-CG2 4.04Å; L168-V178 HydrophobicContact CG-CB 3.86Å; L168-V178 HydrophobicContact CG-CG1 4.42Å; L168-V178 HydrophobicContact CG-CG2 3.55Å; L168-V178 PolarHBondContact O-N 3.32Å; L168-L352 HydrophobicContact CD2-CD2 4.37Å; L168-Y355 HydrophobicContact CD1-CD1 3.94Å; L168-Y355 HydrophobicContact CD1-CE1 3.99Å; L168-Y355 HydrophobicContact CD2-CD1 4.03Å; L168-M356 HydrophobicContact CB-CG 4.1Å; L168-M356 HydrophobicContact CB-SD 4.27Å; L168-M356 HydrophobicContact CD1-CG 3.95Å; L168-M356 HydrophobicContact CD2-CG 3.74Å; L168-M356 HydrophobicContact CG-CG 4.12Å
169F90Very high89.2Confident13 Ų1354 Ų546%0.05729%0.289CS..Hα-helixtrans-69.8-26.2-179.6-56-43.1000113.4M165 R166 G171 P177 V178 L180 V195 F196 L352M165-F169 HydrophobicContact CB-CE2 4.33Å; M165-F169 WeakPolarHBondContact O-CD2 3.5Å; M165-F169 WeakPolarHBondContact O-CG 3.38Å; M165-F169 PolarHBondContact O-N 2.93Å; M165-F169 VanDerWaalsContact O-N 3.13Å; R166-F169 PolarHBondContact O-N 3.4Å; F169-G171 PolarHBondContact O-N 3.28Å; F169-P177 VanDerWaalsContact O-CB 3.3Å; F169-P177 WeakPolarHBondContact O-CB 3.49Å; F169-V178 HydrophobicContact CD1-CB 4.23Å; F169-V178 HydrophobicContact CD1-CG1 4.4Å; F169-V178 WeakPolarHBondContact CD1-O 3.19Å; F169-V178 HydrophobicContact CE1-CG1 4.37Å; F169-L180 HydrophobicContact CD1-CG 4.47Å; F169-L180 HydrophobicContact CE1-CD1 3.46Å; F169-L180 VanDerWaalsContact CE1-CD1 3.46Å; F169-L180 HydrophobicContact CE1-CD2 4.2Å; F169-L180 HydrophobicContact CE1-CG 3.64Å; F169-L180 HydrophobicContact CZ-CD1 3.5Å; F169-L180 VanDerWaalsContact CZ-CD1 3.5Å; F169-L180 HydrophobicContact CZ-CG 4.2Å; F169-V195 WeakPolarHBondContact CD2-O 3.47Å; F169-V195 HydrophobicContact CE2-CG1 4.09Å; F169-V195 VanDerWaalsContact CE2-O 3.25Å; F169-V195 WeakPolarHBondContact CE2-O 3.4Å; F169-F196 HydrophobicContact CZ-CD1 4.4Å; F169-L352 HydrophobicContact CE1-CD2 4.26Å; F169-L352 HydrophobicContact CZ-CD1 3.95Å; F169-L352 HydrophobicContact CZ-CD2 4.33Å
170S89.1Confident89.2Confident67 Ų6753.6 Ų53.647%0.46929%0.287SS..THydrogen-bonded Turntrans-74.3-13.2171.272.40000113.8R166 A167 L168 S172R166-S170 PolarHBondContact O-N 3.01Å; A167-S170 WeakPolarHBondContact CA-OG 3.45Å; A167-S170 PolarHBondContact O-N 3.15Å; A167-S170 PolarHBondContact O-OG 3.18Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.32Å; S170-S172 VanDerWaalsContact C-N 3.31Å; S170-S172 WeakPolarHBondContact OG-CB 3.47Å; S170-S172 PolarHBondContact OG-N 3.37Å; S170-S172 PolarHBondContact OG-OG 3.09Å
171G86.6Confident89.1Confident6 Ų653.2 Ų53.26%0.06229%0.285CS..THydrogen-bonded Turntrans83.2-1-172.100000114.8A167 L168 F169 I173 T174 G175 N176A167-G171 PolarHBondContact O-N 2.77Å; L168-G171 PolarHBondContact O-N 3.36Å; F169-G171 PolarHBondContact O-N 3.28Å; G171-I173 PolarHBondContact O-N 3.16Å; G171-I173 VanDerWaalsContact O-N 3.12Å; G171-T174 PolarHBondContact O-N 3.19Å; G171-G175 CarbonylContact O-C 3.45Å; G171-G175 VanDerWaalsContact O-CA 3.26Å; G171-G175 WeakPolarHBondContact O-CA 3.41Å; G171-G175 PolarHBondContact O-N 3.36Å; G171-N176 WeakPolarHBondContact CA-O 3.34Å
172S87.1Confident89.2Confident98 Ų9850.9 Ų50.969%0.68527%0.273SS*.THydrogen-bonded Turntrans-61.7-22.1-178.3-60.30000114.2A167 S170A167-S172 PolarHBondContact O-N 3.09Å; S170-S172 VanDerWaalsContact C-N 3.31Å; S170-S172 WeakPolarHBondContact OG-CB 3.47Å; S170-S172 PolarHBondContact OG-N 3.37Å; S170-S172 PolarHBondContact OG-OG 3.09Å
173I80.5Confident89.3Confident38 Ų3850.3 Ų50.320%0.19527%0.27CS..THydrogen-bonded Turntrans-92.9-37-178.7-64.6-177.9000112.9Q164 A167 L168 G171 M356 K359Q164-I173 HydrophobicContact CB-CD1 4.41Å; Q164-I173 VanDerWaalsContact O-CD1 3.25Å; Q164-I173 WeakPolarHBondContact O-CD1 3.37Å; A167-I173 HydrophobicContact CB-CD1 3.93Å; A167-I173 HydrophobicContact CB-CG1 3.92Å; L168-I173 HydrophobicContact CB-CD1 4.19Å; L168-I173 HydrophobicContact CD1-CB 4.31Å; L168-I173 HydrophobicContact CD1-CG2 4.36Å; G171-I173 PolarHBondContact O-N 3.16Å; G171-I173 VanDerWaalsContact O-N 3.12Å; I173-M356 HydrophobicContact CD1-CG 4.5Å; I173-M356 HydrophobicContact CD1-SD 4.33Å; I173-K359 PolarHBondContact O-NZ 3.34Å; I173-K359 VanDerWaalsContact O-NZ 3.14Å
174T83.5Confident89.3Confident47 Ų4741.7 Ų41.729%0.28824%0.238SC..THydrogen-bonded Turntrans-110.9-11.8-168.843.30000113.2L168 G171 N176 Y355L168-T174 HydrophobicContact CD1-CG2 3.78Å; G171-T174 PolarHBondContact O-N 3.19Å; T174-N176 PolarHBondContact O-N 2.98Å; T174-N176 PolarHBondContact OG1-O 2.91Å; T174-Y355 HydrophobicContact CG2-CE1 4.21Å
175G84.9Confident89.3Confident64 Ų6437.8 Ų37.866%0.6622%0.22SC*.SBendtrans86.5-22.8-17100000113.8G171G171-G175 CarbonylContact O-C 3.45Å; G171-G175 VanDerWaalsContact O-CA 3.26Å; G171-G175 WeakPolarHBondContact O-CA 3.41Å; G171-G175 PolarHBondContact O-N 3.36Å
176N86.9Confident89.2Confident123 Ų12338 Ų3866%0.65822%0.221SC*.SBendtrans-126.5135.3177-69.5-43000110.6G171 T174 V178G171-N176 WeakPolarHBondContact CA-O 3.34Å; T174-N176 PolarHBondContact O-N 2.98Å; T174-N176 PolarHBondContact OG1-O 2.91Å; N176-V178 PolarHBondContact O-N 3.1Å
177P89.1Confident88.6Confident65 Ų6533 Ų3342%0.42220%0.204SC..  trans-51.6120.8172.3-3037.9000111.9F169F169-P177 VanDerWaalsContact O-CB 3.3Å; F169-P177 WeakPolarHBondContact O-CB 3.49Å
178V90.4Very high88.1Confident6 Ų632.4 Ų32.44%0.03620%0.2CC..  trans-72.9127.5168.4174.30000108.8L168 F169 N176 L180 E234 Y355L168-V178 HydrophobicContact CD1-CB 4.48Å; L168-V178 HydrophobicContact CD1-CG2 3.62Å; L168-V178 HydrophobicContact CD2-CB 4.13Å; L168-V178 HydrophobicContact CD2-CG1 4.13Å; L168-V178 HydrophobicContact CD2-CG2 4.04Å; L168-V178 HydrophobicContact CG-CB 3.86Å; L168-V178 HydrophobicContact CG-CG1 4.42Å; L168-V178 HydrophobicContact CG-CG2 3.55Å; L168-V178 PolarHBondContact O-N 3.32Å; F169-V178 HydrophobicContact CD1-CB 4.23Å; F169-V178 HydrophobicContact CD1-CG1 4.4Å; F169-V178 WeakPolarHBondContact CD1-O 3.19Å; F169-V178 HydrophobicContact CE1-CG1 4.37Å; N176-V178 PolarHBondContact O-N 3.1Å; V178-L180 HydrophobicContact CG1-CD2 3.99Å; V178-E234 HydrophobicContact CG1-CB 4.02Å; V178-E234 HydrophobicContact CG1-CG 4.44Å; V178-Y355 HydrophobicContact CG2-CD1 4.35Å; V178-Y355 HydrophobicContact CG2-CE1 3.53Å
179R91.8Very high87.8Confident133 Ų13335.1 Ų35.150%0.50221%0.214SC..  trans-106.9127.5178.5-63.3-176176.5-154.93.8109.5N232 Y233 E234R179-N232 WeakPolarHBondContact CB-O 3.2Å; R179-N232 WeakPolarHBondContact CD-O 3.41Å; R179-Y233 HydrophobicContact CB-CD1 4Å; R179-E234 WeakPolarHBondContact CA-OE2 3.42Å; R179-E234 WeakPolarHBondContact CB-OE2 3.46Å; R179-E234 PolarHBondContact N-OE2 2.81Å; R179-E234 PolarHBondContact O-N 3.27Å
180L93.2Very high87.3Confident1 Ų134.7 Ų34.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-109.6149173.1-47.4-177.4000109.8F169 V178 I182 F196 V198 D199 I235 L352F169-L180 HydrophobicContact CD1-CG 4.47Å; F169-L180 HydrophobicContact CE1-CD1 3.46Å; F169-L180 VanDerWaalsContact CE1-CD1 3.46Å; F169-L180 HydrophobicContact CE1-CD2 4.2Å; F169-L180 HydrophobicContact CE1-CG 3.64Å; F169-L180 HydrophobicContact CZ-CD1 3.5Å; F169-L180 VanDerWaalsContact CZ-CD1 3.5Å; F169-L180 HydrophobicContact CZ-CG 4.2Å; V178-L180 HydrophobicContact CG1-CD2 3.99Å; L180-I182 HydrophobicContact CB-CG1 4.32Å; L180-I182 HydrophobicContact CD1-CD1 4.44Å; L180-F196 HydrophobicContact CD1-CD1 4.08Å; L180-F196 HydrophobicContact CD1-CE1 4.42Å; L180-V198 HydrophobicContact CB-CB 3.99Å; L180-V198 HydrophobicContact CB-CG1 3.67Å; L180-V198 HydrophobicContact CD1-CG1 3.94Å; L180-V198 HydrophobicContact CG-CG1 3.88Å; L180-D199 PolarHBondContact O-N 3.19Å; L180-I235 VanDerWaalsContact CA-O 3.3Å; L180-I235 WeakPolarHBondContact CA-O 3.18Å; L180-I235 HydrophobicContact CD2-CB 3.69Å; L180-I235 HydrophobicContact CD2-CG1 4.38Å; L180-I235 HydrophobicContact CD2-CG2 4.47Å; L180-L352 HydrophobicContact CD1-CD1 3.91Å; L180-L352 HydrophobicContact CD1-CD2 3.77Å; L180-L352 HydrophobicContact CD1-CG 4.41Å; L180-L352 HydrophobicContact CD2-CD2 3.76Å; L180-L352 HydrophobicContact CG-CD2 4.4Å
181M93.8Very high86.7Confident0 Ų036.3 Ų36.30%021%0.212CC..EExtended strand (participates in β ladder)trans-117.3123.2163.2-163.6-173.5174.400108.7D199 K201 F224 E227 F228 Y233 I235 G236 A237M181-D199 WeakPolarHBondContact CA-O 3.29Å; M181-K201 HydrophobicContact CE-CD 3.8Å; M181-F224 HydrophobicContact CB-CE2 4.13Å; M181-F224 HydrophobicContact CB-CZ 3.98Å; M181-F224 HydrophobicContact CE-CD2 3.99Å; M181-F224 HydrophobicContact CE-CE2 4.05Å; M181-F224 HydrophobicContact CG-CE2 3.69Å; M181-F224 HydrophobicContact CG-CZ 4.02Å; M181-F224 WeakPolarHBondContact O-CZ 3.46Å; M181-F224 HydrophobicContact SD-CD2 4.16Å; M181-F224 HydrophobicContact SD-CE2 3.77Å; M181-F224 HydrophobicContact SD-CZ 4.04Å; M181-E227 HydrophobicContact CE-CB 3.93Å; M181-E227 HydrophobicContact CE-CG 3.64Å; M181-E227 VanDerWaalsContact CE-OE2 3.32Å; M181-E227 WeakPolarHBondContact CE-OE2 3.43Å; M181-E227 HydrophobicContact SD-CG 4.28Å; M181-F228 HydrophobicContact CB-CD2 3.89Å; M181-F228 HydrophobicContact CB-CE2 4.34Å; M181-F228 HydrophobicContact SD-CB 4.05Å; M181-F228 HydrophobicContact SD-CD2 4.21Å; M181-Y233 HydrophobicContact CB-CD1 3.84Å; M181-Y233 HydrophobicContact CB-CD2 4.17Å; M181-Y233 HydrophobicContact CB-CE1 3.83Å; M181-Y233 HydrophobicContact CB-CE2 4.15Å; M181-Y233 HydrophobicContact CB-CG 4.01Å; M181-Y233 HydrophobicContact CG-CE1 4.28Å; M181-Y233 HydrophobicContact CG-CE2 4.26Å; M181-Y233 HydrophobicContact SD-CD2 4.35Å; M181-Y233 HydrophobicContact SD-CE2 3.81Å; M181-I235 PolarHBondContact N-O 3.26Å; M181-G236 CarbonylContact O-C 3.49Å; M181-G236 VanDerWaalsContact O-CA 3.3Å; M181-G236 WeakPolarHBondContact O-CA 3.46Å; M181-A237 PolarHBondContact O-N 3.12Å
182I94Very high86.3Confident1 Ų141.5 Ų41.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-125.5133-178-50.7176.9000110.8L180 F196 V198 D199 H200 K201 F203 A237 F239 L348L180-I182 HydrophobicContact CB-CG1 4.32Å; L180-I182 HydrophobicContact CD1-CD1 4.44Å; I182-F196 HydrophobicContact CD1-CB 4.37Å; I182-F196 HydrophobicContact CD1-CD1 3.78Å; I182-F196 HydrophobicContact CD1-CD2 4.03Å; I182-F196 HydrophobicContact CD1-CE1 3.98Å; I182-F196 HydrophobicContact CD1-CE2 4.22Å; I182-F196 HydrophobicContact CD1-CG 3.81Å; I182-F196 HydrophobicContact CD1-CZ 4.19Å; I182-V198 HydrophobicContact CD1-CG2 3.86Å; I182-V198 HydrophobicContact CG1-CG2 4.12Å; I182-D199 PolarHBondContact N-O 2.93Å; I182-H200 CarbonylContact O-C 3.55Å; I182-H200 VanDerWaalsContact O-CA 3.28Å; I182-H200 WeakPolarHBondContact O-CA 3Å; I182-K201 PolarHBondContact O-N 2.85Å; I182-F203 HydrophobicContact CB-CE1 4.26Å; I182-F203 HydrophobicContact CB-CZ 3.86Å; I182-F203 HydrophobicContact CG2-CE1 3.87Å; I182-F203 HydrophobicContact CG2-CZ 3.58Å; I182-A237 CarbonylContact C-O 3.58Å; I182-A237 WeakPolarHBondContact CA-O 3.46Å; I182-A237 HydrophobicContact CG2-CB 4.4Å; I182-F239 HydrophobicContact CG2-CD2 3.97Å; I182-F239 HydrophobicContact CG2-CE2 3.42Å; I182-F239 VanDerWaalsContact CG2-CE2 3.42Å; I182-F239 HydrophobicContact CG2-CZ 3.81Å; I182-L348 HydrophobicContact CD1-CD2 3.48Å; I182-L348 VanDerWaalsContact CD1-CD2 3.48Å; I182-L348 HydrophobicContact CG1-CD2 4.07Å
183D93.2Very high85.9Confident0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-116.3117.1175.4175.517.6000111.2R185 R202 F224 A237 V238 F239D183-R185 PolarHBondContact OD1-N 2.65Å; D183-R185 WeakPolarHBondContact OD2-CD 3.41Å; D183-R185 IonicContact OD2-CZ 2.85Å; D183-R185 IonicContact OD2-NE 2.76Å; D183-R185 PolarHBondContact OD2-NE 3.3Å; D183-R185 IonicContact OD2-NH2 3.31Å; D183-R185 PolarHBondContact OD2-NH2 3.03Å; D183-R202 IonicContact OD1-CZ 3.3Å; D183-R202 IonicContact OD1-NE 3.69Å; D183-R202 PolarHBondContact OD1-NE 3.33Å; D183-R202 IonicContact OD1-NH2 2.79Å; D183-R202 IonicContact OD2-CZ 2.59Å; D183-R202 IonicContact OD2-NE 3.59Å; D183-R202 PolarHBondContact OD2-NE 2.99Å; D183-R202 IonicContact OD2-NH2 3.48Å; D183-R202 PolarHBondContact OD2-NH2 3.44Å; D183-F224 HydrophobicContact CB-CD2 3.65Å; D183-F224 HydrophobicContact CB-CE2 3.86Å; D183-A237 PolarHBondContact N-O 2.99Å; D183-V238 HydrophobicContact CB-CG1 4.35Å; D183-V238 HydrophobicContact CB-CG2 4.35Å; D183-F239 PolarHBondContact O-N 3.22Å
184G91.3Very high85.5Confident0 Ų037.9 Ų37.90%022%0.215CC..  trans-89.1-2.9-177.500000114.2N186 G187 K201 R202 F203G184-N186 PolarHBondContact O-N 3.18Å; G184-N186 VanDerWaalsContact O-N 3.07Å; G184-G187 PolarHBondContact O-N 3.41Å; G184-K201 PolarHBondContact N-O 3.4Å; G184-R202 CarbonylContact C-O 3.5Å; G184-F203 VanDerWaalsContact N-CE1 3.31Å
185R90.6Very high84.8Confident3 Ų335.8 Ų35.81%0.01120%0.203CC..THydrogen-bonded Turntrans48.937.8179-66.2-72.4171.3146.9-10.6113.7D183 G187 R202 P213 N220 D223 V238 F239D183-R185 PolarHBondContact OD1-N 2.65Å; D183-R185 WeakPolarHBondContact OD2-CD 3.41Å; D183-R185 IonicContact OD2-CZ 2.85Å; D183-R185 IonicContact OD2-NE 2.76Å; D183-R185 PolarHBondContact OD2-NE 3.3Å; D183-R185 IonicContact OD2-NH2 3.31Å; D183-R185 PolarHBondContact OD2-NH2 3.03Å; R185-G187 PolarHBondContact O-N 3.5Å; R185-G187 VanDerWaalsContact O-N 3.07Å; R185-R202 PolarHBondContact N-O 3.08Å; R185-P213 PolarHBondContact NH1-O 3.14Å; R185-N220 VanDerWaalsContact CZ-O 3.3Å; R185-N220 PolarHBondContact NH1-O 2.95Å; R185-N220 PolarHBondContact NH2-O 3.11Å; R185-D223 IonicContact NH2-OD1 3.92Å; R185-V238 HydrophobicContact CG-CG1 4.12Å; R185-F239 WeakPolarHBondContact CG-O 3.47Å
186N89.2Confident84Confident5 Ų533.5 Ų33.53%0.02717%0.174CC..THydrogen-bonded Turntrans52.831.4-179.9-64.496.8000113.2G184 R202 N204 P205 E206G184-N186 PolarHBondContact O-N 3.18Å; G184-N186 VanDerWaalsContact O-N 3.07Å; N186-R202 WeakPolarHBondContact CA-O 3.09Å; N186-R202 PolarHBondContact N-O 3.49Å; N186-R202 VanDerWaalsContact OD1-CB 3.31Å; N186-R202 WeakPolarHBondContact OD1-CB 3.3Å; N186-R202 WeakPolarHBondContact OD1-CD 3.38Å; N186-R202 WeakPolarHBondContact OD1-CG 3.19Å; N186-N204 WeakPolarHBondContact CA-O 3.33Å; N186-N204 VanDerWaalsContact CB-O 3.32Å; N186-N204 WeakPolarHBondContact CB-O 3.27Å; N186-N204 PolarHBondContact ND2-ND2 3.43Å; N186-N204 PolarHBondContact ND2-O 3.18Å; N186-N204 PolarHBondContact ND2-OD1 3.17Å; N186-P205 VanDerWaalsContact O-CA 3.31Å; N186-P205 WeakPolarHBondContact O-CA 3.48Å; N186-E206 HydrophobicContact CB-CB 3.97Å; N186-E206 HydrophobicContact CB-CG 4.16Å; N186-E206 PolarHBondContact ND2-OE1 3.32Å; N186-E206 PolarHBondContact O-N 3.16Å; N186-E206 VanDerWaalsContact O-N 3.14Å
187G77.3Confident82.8Confident7 Ų732.3 Ų32.37%0.07218%0.176CC..SBendtrans-100.2-19.2-171.600000115.9G184 R185 C241G184-G187 PolarHBondContact O-N 3.41Å; R185-G187 PolarHBondContact O-N 3.5Å; R185-G187 VanDerWaalsContact O-N 3.07Å; G187-C241 CarbonylContact C-O 3.54Å; G187-C241 VanDerWaalsContact C-O 3.26Å; G187-C241 WeakPolarHBondContact CA-O 3.42Å; G187-C241 VanDerWaalsContact O-O 3.04Å
188G79.4Confident81.7Confident4 Ų430 Ų304%0.04116%0.161CC..  trans-177.1159-175.800000111.6F190 F203G188-F190 VanDerWaalsContact C-N 3.3Å; G188-F190 WeakPolarHBondContact O-CD2 3.46Å; G188-F190 WeakPolarHBondContact O-CE2 3.48Å; G188-F190 PolarHBondContact O-N 2.81Å; G188-F190 VanDerWaalsContact O-N 3.11Å; G188-F203 CarbonylContact C-O 3.59Å; G188-F203 CarbonylContact O-C 3.53Å; G188-F203 WeakPolarHBondContact O-CA 3.37Å
189N82.7Confident81.2Confident56 Ų5633.7 Ų33.730%0.29918%0.18SC..  trans-87.769.3179.1-165.3-21000111.1E191 R192 F203N189-E191 PolarHBondContact O-N 3.39Å; N189-R192 VanDerWaalsContact ND2-CD 3.3Å; N189-R192 WeakPolarHBondContact ND2-CD 3.27Å; N189-R192 WeakPolarHBondContact OD1-CG 3.36Å; N189-F203 VanDerWaalsContact CA-O 3.26Å; N189-F203 WeakPolarHBondContact CA-O 3.1Å
190F79.5Confident80.9Confident5 Ų530.4 Ų30.42%0.02217%0.17CC..G310 helixtrans-69.5-18-175.3-50.5-71.8000113.5T53 G188 R192 L193 F203 F239 I345T53-F190 HydrophobicContact CG2-CE1 3.52Å; T53-F190 HydrophobicContact CG2-CZ 3.96Å; G188-F190 VanDerWaalsContact C-N 3.3Å; G188-F190 WeakPolarHBondContact O-CD2 3.46Å; G188-F190 WeakPolarHBondContact O-CE2 3.48Å; G188-F190 PolarHBondContact O-N 2.81Å; G188-F190 VanDerWaalsContact O-N 3.11Å; F190-R192 PolarHBondContact O-N 3.01Å; F190-L193 WeakPolarHBondContact O-CB 3.5Å; F190-L193 VanDerWaalsContact O-CG 3.29Å; F190-L193 WeakPolarHBondContact O-CG 3.38Å; F190-L193 PolarHBondContact O-N 3.32Å; F190-F203 HydrophobicContact CB-CD2 3.73Å; F190-F203 HydrophobicContact CB-CE2 3.5Å; F190-F203 VanDerWaalsContact CB-CE2 3.5Å; F190-F203 HydrophobicContact CB-CG 4.33Å; F190-F203 HydrophobicContact CB-CZ 3.92Å; F190-F203 HydrophobicContact CD2-CD1 4.05Å; F190-F203 HydrophobicContact CD2-CD2 4.45Å; F190-F203 HydrophobicContact CD2-CE1 4.15Å; F190-F203 HydrophobicContact CD2-CG 4.23Å; F190-F203 HydrophobicContact CD2-CZ 4.36Å; F190-F239 HydrophobicContact CD2-CD2 4.16Å; F190-F239 HydrophobicContact CE2-CD2 4.15Å; F190-F239 HydrophobicContact CG-CD2 4.41Å; F190-F239 HydrophobicContact CZ-CD2 4.36Å; F190-I345 HydrophobicContact CD1-CD1 3.55Å; F190-I345 HydrophobicContact CD1-CG1 4.06Å; F190-I345 HydrophobicContact CE1-CD1 3.7Å; F190-I345 HydrophobicContact CE1-CG1 4.22Å
191E75.8Confident80.7Confident100 Ų10033.7 Ų33.747%0.46719%0.185SC..G310 helixtrans-60.8-38.2-179.5-173.5-176.9179.600109.9N189 L193 G194 H200 F203N189-E191 PolarHBondContact O-N 3.39Å; E191-L193 PolarHBondContact O-N 2.95Å; E191-G194 PolarHBondContact O-N 2.91Å; E191-H200 VanDerWaalsContact CD-CE1 3.49Å; E191-H200 VanDerWaalsContact CD-NE2 3.26Å; E191-H200 IonicContact OE1-CE1 3.79Å; E191-H200 PolarHBondContact OE1-CE1 3.02Å; E191-H200 IonicContact OE1-NE2 3.98Å; E191-H200 IonicContact OE2-NE2 3.69Å; E191-H200 PolarHBondContact OE2-NE2 3.31Å; E191-F203 HydrophobicContact CB-CD2 3.77Å; E191-F203 HydrophobicContact CB-CE2 4.37Å
192R77.3Confident80.5Confident115 Ų11536.3 Ų36.343%0.43420%0.195SC..G310 helixtrans-66.8-2-178.2-66.4178.468.7-144.8-7.8114.4D147 V149 N189 F190 G194D147-R192 IonicContact OD1-CZ 2.69Å; D147-R192 IonicContact OD1-NH1 2.6Å; D147-R192 PolarHBondContact OD1-NH1 2.99Å; D147-R192 IonicContact OD1-NH2 3.41Å; D147-R192 PolarHBondContact OD1-NH2 3.39Å; D147-R192 IonicContact OD2-CZ 2.92Å; D147-R192 IonicContact OD2-NH1 3.92Å; D147-R192 IonicContact OD2-NH2 3.57Å; D147-R192 PolarHBondContact OD2-NH2 3.49Å; V149-R192 HydrophobicContact CB-CB 4.48Å; V149-R192 HydrophobicContact CG1-CB 3.74Å; N189-R192 VanDerWaalsContact ND2-CD 3.3Å; N189-R192 WeakPolarHBondContact ND2-CD 3.27Å; N189-R192 WeakPolarHBondContact OD1-CG 3.36Å; F190-R192 PolarHBondContact O-N 3.01Å; R192-G194 PolarHBondContact O-N 2.68Å
193L78.7Confident80.3Confident9 Ų936.8 Ų36.85%0.04720%0.196CC..G310 helixtrans-67.9-23170.3-67.3173.3000112.8V149 Y152 F190 E191 V195 F196 I345V149-L193 HydrophobicContact CG1-CD2 4.05Å; V149-L193 HydrophobicContact CG1-CG 4.34Å; Y152-L193 HydrophobicContact CD1-CD2 3.87Å; Y152-L193 HydrophobicContact CE1-CD2 4.21Å; F190-L193 WeakPolarHBondContact O-CB 3.5Å; F190-L193 VanDerWaalsContact O-CG 3.29Å; F190-L193 WeakPolarHBondContact O-CG 3.38Å; F190-L193 PolarHBondContact O-N 3.32Å; E191-L193 PolarHBondContact O-N 2.95Å; L193-V195 PolarHBondContact O-N 2.75Å; L193-F196 HydrophobicContact CD1-CE2 4.01Å; L193-I345 HydrophobicContact CD1-CD1 4.24Å; L193-I345 HydrophobicContact CD1-CG2 3.74Å
194G73.8Confident80.1Confident51 Ų5140.8 Ų40.853%0.52622%0.218SC..SBendtrans68.714.8174.200000115.3E191 R192E191-G194 PolarHBondContact O-N 2.91Å; R192-G194 PolarHBondContact O-N 2.68Å
195V69Low80.1Confident3 Ų343.7 Ų43.72%0.01824%0.237CC..  trans-89.2-43.7171.9-176.70000110.8F162 M165 F169 L193 S197 L349F162-V195 HydrophobicContact CD1-CG2 3.73Å; F162-V195 HydrophobicContact CD2-CB 4.49Å; F162-V195 HydrophobicContact CD2-CG2 3.23Å; F162-V195 HydrophobicContact CE1-CG2 3.48Å; F162-V195 VanDerWaalsContact CE1-CG2 3.48Å; F162-V195 HydrophobicContact CE2-CB 4.4Å; F162-V195 HydrophobicContact CE2-CG2 2.94Å; F162-V195 HydrophobicContact CG-CG2 3.63Å; F162-V195 HydrophobicContact CZ-CG2 3.09Å; M165-V195 HydrophobicContact CB-CG1 4.04Å; M165-V195 HydrophobicContact SD-CG1 3.86Å; F169-V195 WeakPolarHBondContact CD2-O 3.47Å; F169-V195 HydrophobicContact CE2-CG1 4.09Å; F169-V195 VanDerWaalsContact CE2-O 3.25Å; F169-V195 WeakPolarHBondContact CE2-O 3.4Å; L193-V195 PolarHBondContact O-N 2.75Å; V195-S197 PolarHBondContact O-N 3.45Å; V195-L349 HydrophobicContact CG1-CD2 4.12Å
196F66.7Low80.1Confident16 Ų1647.3 Ų47.37%0.0725%0.254CS..  trans-94.4105.3-164.2-49.1-63.3000109.8F169 L180 I182 L193 V198 L348 L349 L352F169-F196 HydrophobicContact CZ-CD1 4.4Å; L180-F196 HydrophobicContact CD1-CD1 4.08Å; L180-F196 HydrophobicContact CD1-CE1 4.42Å; I182-F196 HydrophobicContact CD1-CB 4.37Å; I182-F196 HydrophobicContact CD1-CD1 3.78Å; I182-F196 HydrophobicContact CD1-CD2 4.03Å; I182-F196 HydrophobicContact CD1-CE1 3.98Å; I182-F196 HydrophobicContact CD1-CE2 4.22Å; I182-F196 HydrophobicContact CD1-CG 3.81Å; I182-F196 HydrophobicContact CD1-CZ 4.19Å; L193-F196 HydrophobicContact CD1-CE2 4.01Å; F196-V198 HydrophobicContact CB-CB 4.15Å; F196-V198 HydrophobicContact CB-CG1 3.71Å; F196-V198 HydrophobicContact CB-CG2 3.48Å; F196-V198 VanDerWaalsContact CB-CG2 3.48Å; F196-V198 HydrophobicContact CG-CG2 4.38Å; F196-V198 PolarHBondContact O-N 2.95Å; F196-L348 HydrophobicContact CE1-CD2 3.88Å; F196-L348 HydrophobicContact CE1-CG 4.46Å; F196-L348 HydrophobicContact CZ-CD2 3.89Å; F196-L349 HydrophobicContact CE1-CD2 3.96Å; F196-L349 HydrophobicContact CZ-CD2 3.85Å; F196-L349 HydrophobicContact CZ-CG 4.5Å; F196-L352 HydrophobicContact CE1-CD1 3.96Å
197S61.7Low80Confident99 Ų9952.3 Ų52.369%0.69229%0.289SS*.  trans-86.758.4162.758.30000109.5V195V195-S197 PolarHBondContact O-N 3.45Å
198V66.3Low80.7Confident17 Ų1754.7 Ų54.710%0.10330%0.3CS..SBendtrans-125.8161.5-160.3-52.90000112.6L180 I182 F196 H200L180-V198 HydrophobicContact CB-CB 3.99Å; L180-V198 HydrophobicContact CB-CG1 3.67Å; L180-V198 HydrophobicContact CD1-CG1 3.94Å; L180-V198 HydrophobicContact CG-CG1 3.88Å; I182-V198 HydrophobicContact CD1-CG2 3.86Å; I182-V198 HydrophobicContact CG1-CG2 4.12Å; F196-V198 HydrophobicContact CB-CB 4.15Å; F196-V198 HydrophobicContact CB-CG1 3.71Å; F196-V198 HydrophobicContact CB-CG2 3.48Å; F196-V198 VanDerWaalsContact CB-CG2 3.48Å; F196-V198 HydrophobicContact CG-CG2 4.38Å; F196-V198 PolarHBondContact O-N 2.95Å; V198-H200 HydrophobicContact CG2-CB 4.25Å; V198-H200 PolarHBondContact O-N 2.84Å; V198-H200 PolarHBondContact O-ND1 3.44Å
199D81.2Confident81.1Confident82 Ų8255.9 Ų55.944%0.43930%0.304SS..EExtended strand (participates in β ladder)trans-67.8102.5168.3-65.8-46.9000108.6L180 M181 I182 Y233L180-D199 PolarHBondContact O-N 3.19Å; M181-D199 WeakPolarHBondContact CA-O 3.29Å; I182-D199 PolarHBondContact N-O 2.93Å; D199-Y233 HydrophobicContact CB-CE1 3.93Å; D199-Y233 VanDerWaalsContact OD2-CE1 3.29Å; D199-Y233 WeakPolarHBondContact OD2-CE1 3.37Å; D199-Y233 PolarHBondContact OD2-OH 3.02Å
200H85.3Confident81.4Confident65 Ų6554.7 Ų54.730%0.30131%0.306SS..EExtended strand (participates in β ladder)trans-116.8150-179.360.9-86.6000110.9I182 E191 V198 F203I182-H200 CarbonylContact O-C 3.55Å; I182-H200 VanDerWaalsContact O-CA 3.28Å; I182-H200 WeakPolarHBondContact O-CA 3Å; E191-H200 VanDerWaalsContact CD-CE1 3.49Å; E191-H200 VanDerWaalsContact CD-NE2 3.26Å; E191-H200 IonicContact OE1-CE1 3.79Å; E191-H200 PolarHBondContact OE1-CE1 3.02Å; E191-H200 IonicContact OE1-NE2 3.98Å; E191-H200 IonicContact OE2-NE2 3.69Å; E191-H200 PolarHBondContact OE2-NE2 3.31Å; V198-H200 HydrophobicContact CG2-CB 4.25Å; V198-H200 PolarHBondContact O-N 2.84Å; V198-H200 PolarHBondContact O-ND1 3.44Å; H200-F203 HydrophobicContact CB-CD1 4.26Å; H200-F203 HydrophobicContact CB-CD2 3.96Å; H200-F203 HydrophobicContact CB-CE1 3.83Å; H200-F203 HydrophobicContact CB-CE2 3.54Å; H200-F203 HydrophobicContact CB-CG 4.32Å; H200-F203 HydrophobicContact CB-CZ 3.48Å; H200-F203 VanDerWaalsContact CB-CZ 3.48Å; H200-F203 AromaticContact CD2-CD2 3.72Å; H200-F203 AromaticContact CD2-CG 3.95Å; H200-F203 AromaticContact CG-CE2 3.96Å
201K88.8Confident81.8Confident70 Ų7056.5 Ų56.530%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-139146.6-176-58.7-165.9171-146.20111.2M181 I182 G184 F203 E227M181-K201 HydrophobicContact CE-CD 3.8Å; I182-K201 PolarHBondContact O-N 2.85Å; G184-K201 PolarHBondContact N-O 3.4Å; K201-F203 VanDerWaalsContact C-N 3.29Å; K201-F203 WeakPolarHBondContact O-CD1 3.41Å; K201-F203 WeakPolarHBondContact O-CE1 3.41Å; K201-F203 PolarHBondContact O-N 3.26Å; K201-E227 WeakPolarHBondContact CE-OE1 3.29Å; K201-E227 VanDerWaalsContact CE-OE2 3.32Å; K201-E227 WeakPolarHBondContact CE-OE2 3.28Å; K201-E227 IonicContact NZ-OE1 3.59Å; K201-E227 PolarHBondContact NZ-OE1 2.85Å; K201-E227 IonicContact NZ-OE2 2.56Å; K201-E227 PolarHBondContact NZ-OE2 3.19Å
202R90Very high82.2Confident55 Ų5554.1 Ų54.121%0.20832%0.316CS..  trans56.344.8173.3-63.1-178.6-80.2-128.8-0.1111.7D183 G184 R185 N186 D223D183-R202 IonicContact OD1-CZ 3.3Å; D183-R202 IonicContact OD1-NE 3.69Å; D183-R202 PolarHBondContact OD1-NE 3.33Å; D183-R202 IonicContact OD1-NH2 2.79Å; D183-R202 IonicContact OD2-CZ 2.59Å; D183-R202 IonicContact OD2-NE 3.59Å; D183-R202 PolarHBondContact OD2-NE 2.99Å; D183-R202 IonicContact OD2-NH2 3.48Å; D183-R202 PolarHBondContact OD2-NH2 3.44Å; G184-R202 CarbonylContact C-O 3.5Å; R185-R202 PolarHBondContact N-O 3.08Å; N186-R202 WeakPolarHBondContact CA-O 3.09Å; N186-R202 PolarHBondContact N-O 3.49Å; N186-R202 VanDerWaalsContact OD1-CB 3.31Å; N186-R202 WeakPolarHBondContact OD1-CB 3.3Å; N186-R202 WeakPolarHBondContact OD1-CD 3.38Å; N186-R202 WeakPolarHBondContact OD1-CG 3.19Å; R202-D223 IonicContact CZ-OD2 3.98Å; R202-D223 VanDerWaalsContact CZ-OD2 3.31Å; R202-D223 IonicContact NH1-OD2 2.85Å; R202-D223 PolarHBondContact NH1-OD2 3.1Å; R202-D223 IonicContact NH2-OD2 2.79Å; R202-D223 PolarHBondContact NH2-OD2 3.26Å
203F88.7Confident82.4Confident10 Ų1050.8 Ų50.84%0.04431%0.309CS..  trans-94.50.3175.7-78.424.3000112.3I182 G184 G188 N189 F190 E191 H200 K201 P205I182-F203 HydrophobicContact CB-CE1 4.26Å; I182-F203 HydrophobicContact CB-CZ 3.86Å; I182-F203 HydrophobicContact CG2-CE1 3.87Å; I182-F203 HydrophobicContact CG2-CZ 3.58Å; G184-F203 VanDerWaalsContact N-CE1 3.31Å; G188-F203 CarbonylContact C-O 3.59Å; G188-F203 CarbonylContact O-C 3.53Å; G188-F203 WeakPolarHBondContact O-CA 3.37Å; N189-F203 VanDerWaalsContact CA-O 3.26Å; N189-F203 WeakPolarHBondContact CA-O 3.1Å; F190-F203 HydrophobicContact CB-CD2 3.73Å; F190-F203 HydrophobicContact CB-CE2 3.5Å; F190-F203 VanDerWaalsContact CB-CE2 3.5Å; F190-F203 HydrophobicContact CB-CG 4.33Å; F190-F203 HydrophobicContact CB-CZ 3.92Å; F190-F203 HydrophobicContact CD2-CD1 4.05Å; F190-F203 HydrophobicContact CD2-CD2 4.45Å; F190-F203 HydrophobicContact CD2-CE1 4.15Å; F190-F203 HydrophobicContact CD2-CG 4.23Å; F190-F203 HydrophobicContact CD2-CZ 4.36Å; E191-F203 HydrophobicContact CB-CD2 3.77Å; E191-F203 HydrophobicContact CB-CE2 4.37Å; H200-F203 HydrophobicContact CB-CD1 4.26Å; H200-F203 HydrophobicContact CB-CD2 3.96Å; H200-F203 HydrophobicContact CB-CE1 3.83Å; H200-F203 HydrophobicContact CB-CE2 3.54Å; H200-F203 HydrophobicContact CB-CG 4.32Å; H200-F203 HydrophobicContact CB-CZ 3.48Å; H200-F203 VanDerWaalsContact CB-CZ 3.48Å; H200-F203 AromaticContact CD2-CD2 3.72Å; H200-F203 AromaticContact CD2-CG 3.95Å; H200-F203 AromaticContact CG-CE2 3.96Å; K201-F203 VanDerWaalsContact C-N 3.29Å; K201-F203 WeakPolarHBondContact O-CD1 3.41Å; K201-F203 WeakPolarHBondContact O-CE1 3.41Å; K201-F203 PolarHBondContact O-N 3.26Å; F203-P205 WeakPolarHBondContact O-CD 3.39Å
204N89.4Confident82.6Confident84 Ų8450.3 Ų50.345%0.44931%0.307SS..SBendtrans-85123.9169.560.7-58.6000109.4N186 E206N186-N204 WeakPolarHBondContact CA-O 3.33Å; N186-N204 VanDerWaalsContact CB-O 3.32Å; N186-N204 WeakPolarHBondContact CB-O 3.27Å; N186-N204 PolarHBondContact ND2-ND2 3.43Å; N186-N204 PolarHBondContact ND2-O 3.18Å; N186-N204 PolarHBondContact ND2-OD1 3.17Å; N204-E206 PolarHBondContact ND2-OE1 2.94Å; N204-E206 PolarHBondContact O-N 3.39Å
205P90.2Very high83.3Confident62 Ų6249.2 Ų49.240%0.40329%0.288SS..  trans-61129.4174.2-2333.8000111.6V51 N186 F203V51-P205 HydrophobicContact CG1-CB 4.02Å; V51-P205 HydrophobicContact CG1-CG 3.76Å; V51-P205 HydrophobicContact CG2-CB 4.23Å; V51-P205 HydrophobicContact CG2-CG 4.45Å; N186-P205 VanDerWaalsContact O-CA 3.31Å; N186-P205 WeakPolarHBondContact O-CA 3.48Å; F203-P205 WeakPolarHBondContact O-CD 3.39Å
206E91.4Very high84.3Confident79 Ų7949.1 Ų49.137%0.36929%0.288SS..  trans-127.1146.1175-66.7-174.8-166.400111.1N186 N204 D208 F209 G210N186-E206 HydrophobicContact CB-CB 3.97Å; N186-E206 HydrophobicContact CB-CG 4.16Å; N186-E206 PolarHBondContact ND2-OE1 3.32Å; N186-E206 PolarHBondContact O-N 3.16Å; N186-E206 VanDerWaalsContact O-N 3.14Å; N204-E206 PolarHBondContact ND2-OE1 2.94Å; N204-E206 PolarHBondContact O-N 3.39Å; E206-D208 PolarHBondContact O-N 3.39Å; E206-D208 VanDerWaalsContact O-N 3.14Å; E206-F209 PolarHBondContact O-N 3.47Å; E206-G210 WeakPolarHBondContact OE2-CA 3.28Å; E206-G210 PolarHBondContact OE2-N 3.19Å
207S88Confident85.5Confident109 Ų10949.7 Ų49.776%0.76229%0.294SS*.THydrogen-bonded Turntrans-63.9-19.9-173.863.50000115.2
208D90.6Very high86.9Confident58 Ų5849.2 Ų49.231%0.3128%0.283SS..THydrogen-bonded Turntrans-119.811.5175.567-8.9000112.8G80 E206 G210 G211G80-D208 VanDerWaalsContact CA-CB 3.41Å; E206-D208 PolarHBondContact O-N 3.39Å; E206-D208 VanDerWaalsContact O-N 3.14Å; D208-G210 VanDerWaalsContact C-N 3.28Å; D208-G210 PolarHBondContact O-N 3.39Å; D208-G210 PolarHBondContact OD1-N 3.15Å; D208-G211 PolarHBondContact O-N 3.22Å; D208-G211 VanDerWaalsContact O-N 3.15Å
209F89.3Confident88.1Confident28 Ų2856.5 Ų56.512%0.12331%0.313CS..G310 helixtrans58.536.4-179.3-47.3-72.6000113.6A74 E206 G211 C241A74-F209 HydrophobicContact CB-CD2 4.17Å; A74-F209 HydrophobicContact CB-CE2 3.41Å; A74-F209 VanDerWaalsContact CB-CE2 3.41Å; A74-F209 HydrophobicContact CB-CZ 4.14Å; E206-F209 PolarHBondContact O-N 3.47Å; F209-G211 VanDerWaalsContact C-N 3.27Å; F209-G211 PolarHBondContact O-N 3.5Å; F209-C241 HydrophobicContact CB-CB 4.3Å; F209-C241 HydrophobicContact CD1-CB 3.35Å; F209-C241 HydrophobicContact CE1-CB 3.72Å; F209-C241 HydrophobicContact CG-CB 3.8Å; F209-C241 HydrophobicContact CZ-CB 4.47Å
210G88.9Confident88.6Confident32 Ų3254.2 Ų54.233%0.3330%0.301SS..G310 helixtrans7319.1-178.500000113.4E206 D208 L212E206-G210 WeakPolarHBondContact OE2-CA 3.28Å; E206-G210 PolarHBondContact OE2-N 3.19Å; D208-G210 VanDerWaalsContact C-N 3.28Å; D208-G210 PolarHBondContact O-N 3.39Å; D208-G210 PolarHBondContact OD1-N 3.15Å; G210-L212 PolarHBondContact O-N 3.24Å
211G88Confident88.9Confident42 Ų4251.1 Ų51.143%0.43329%0.287SS..G310 helixtrans68.912.1-17900000114.7L78 D208 F209L78-G211 WeakPolarHBondContact CD1-O 3.48Å; D208-G211 PolarHBondContact O-N 3.22Å; D208-G211 VanDerWaalsContact O-N 3.15Å; F209-G211 VanDerWaalsContact C-N 3.27Å; F209-G211 PolarHBondContact O-N 3.5Å
212L82.5Confident89.1Confident50 Ų5052.2 Ų52.226%0.26230%0.296SS..SBendtrans-100.5150.5-179.1-67.1173000111.6G210 S214G210-L212 PolarHBondContact O-N 3.24Å; L212-S214 PolarHBondContact O-N 2.91Å
213P82.7Confident89.2Confident45 Ų4552.6 Ų52.629%0.29230%0.302SS..  trans-57.8131.4166.1-21.733.2000110.3R185 D215 N220R185-P213 PolarHBondContact NH1-O 3.14Å; P213-D215 VanDerWaalsContact C-N 3.3Å; P213-D215 PolarHBondContact O-N 3.45Å; P213-N220 HydrophobicContact CB-CB 4.33Å; P213-N220 WeakPolarHBondContact CB-ND2 3.48Å
214S82.2Confident89.5Confident0 Ų052.2 Ų52.20%030%0.3CS..  trans-84.2-1.9-178.963.20000114.3G75 R76 R77 L212 P216 S240 C241G75-S214 WeakPolarHBondContact O-CB 3.35Å; G75-S214 PolarHBondContact O-OG 2.63Å; R76-S214 WeakPolarHBondContact CA-OG 3.41Å; R77-S214 PolarHBondContact N-OG 2.7Å; R77-S214 PolarHBondContact O-OG 3.1Å; R77-S214 VanDerWaalsContact O-OG 3.05Å; L212-S214 PolarHBondContact O-N 2.91Å; S214-P216 WeakPolarHBondContact O-CD 3.43Å; S214-S240 VanDerWaalsContact O-CA 3.27Å; S214-S240 WeakPolarHBondContact O-CA 3.38Å; S214-S240 WeakPolarHBondContact O-CB 2.98Å; S214-C241 WeakPolarHBondContact CB-SG 3.39Å
215D87.9Confident89.8Confident27 Ų2749.2 Ų49.214%0.14428%0.284CS..SBendtrans-74.9116.1172.9-177.156.9000110R76 P213 S217 N220R76-D215 HydrophobicContact CB-CB 3.94Å; R76-D215 WeakPolarHBondContact CD-OD1 3.33Å; R76-D215 IonicContact CZ-OD1 3.8Å; R76-D215 IonicContact NH1-OD1 3.47Å; R76-D215 PolarHBondContact NH1-OD1 2.9Å; R76-D215 WeakPolarHBondContact O-CB 3.31Å; P213-D215 VanDerWaalsContact C-N 3.3Å; P213-D215 PolarHBondContact O-N 3.45Å; D215-S217 PolarHBondContact O-N 3.18Å; D215-S217 WeakPolarHBondContact OD2-CB 3.49Å; D215-S217 PolarHBondContact OD2-OG 3.23Å; D215-N220 WeakPolarHBondContact O-CB 3.26Å; D215-N220 PolarHBondContact O-ND2 2.99Å
216P91.5Very high90Very high1 Ų151.1 Ų51.11%0.00629%0.29CS..  trans-78.370.417833.6-34.4000109.2S214 V238 R245 L247 N332S214-P216 WeakPolarHBondContact O-CD 3.43Å; P216-V238 HydrophobicContact CB-CB 4.28Å; P216-V238 HydrophobicContact CB-CG1 4.05Å; P216-V238 WeakPolarHBondContact CB-O 3.36Å; P216-R245 HydrophobicContact CG-CB 3.64Å; P216-L247 HydrophobicContact CB-CB 4.07Å; P216-L247 WeakPolarHBondContact O-CB 3.42Å; P216-N332 HydrophobicContact CG-CB 4.45Å; P216-N332 PolarHBondContact O-ND2 3.41Å
217S91.6Very high90.2Very high28 Ų2850.4 Ų50.420%0.19629%0.286CS..  trans-108.6157.3173.254.80000110.6D215 K219 N220 A221D215-S217 PolarHBondContact O-N 3.18Å; D215-S217 WeakPolarHBondContact OD2-CB 3.49Å; D215-S217 PolarHBondContact OD2-OG 3.23Å; S217-K219 PolarHBondContact O-N 3.01Å; S217-K219 VanDerWaalsContact O-N 3.15Å; S217-N220 CarbonylContact O-C 3.26Å; S217-N220 PolarHBondContact O-N 3.14Å; S217-N220 PolarHBondContact OG-ND2 2.62Å; S217-A221 WeakPolarHBondContact O-CB 3.29Å; S217-A221 PolarHBondContact O-N 3.03Å
218I91.3Very high90.5Very high89 Ų8945.4 Ų45.446%0.45625%0.251SS..G310 helixtrans-51.4-42.4179.5-58.9167.4000110.5N220 A221 N222 L225 L247 P255I218-N220 PolarHBondContact O-N 3.34Å; I218-A221 PolarHBondContact O-N 3.05Å; I218-A221 VanDerWaalsContact O-N 3.13Å; I218-N222 PolarHBondContact O-OD1 2.87Å; I218-L225 HydrophobicContact CG2-CD1 4.3Å; I218-L247 HydrophobicContact CG1-CD2 4.35Å; I218-P255 HydrophobicContact CD1-CB 3.89Å; I218-P255 HydrophobicContact CD1-CG 3.39Å; I218-P255 HydrophobicContact CG1-CB 3.81Å; I218-P255 HydrophobicContact CG1-CG 3.7Å
219K91.5Very high90.7Very high171 Ų17147.3 Ų47.374%0.74326%0.261SS*.G310 helixtrans-54.8-38.3177.1-178.4-178175.6-177.10113.1S217 N222S217-K219 PolarHBondContact O-N 3.01Å; S217-K219 VanDerWaalsContact O-N 3.15Å; K219-N222 PolarHBondContact O-ND2 2.79Å
220N90.9Very high91Very high34 Ų3453.5 Ų53.518%0.18229%0.29CS..G310 helixtrans-95.9-3.9-175.6-59.5-28.1000112.8R185 P213 D215 S217 I218R185-N220 VanDerWaalsContact CZ-O 3.3Å; R185-N220 PolarHBondContact NH1-O 2.95Å; R185-N220 PolarHBondContact NH2-O 3.11Å; P213-N220 HydrophobicContact CB-CB 4.33Å; P213-N220 WeakPolarHBondContact CB-ND2 3.48Å; D215-N220 WeakPolarHBondContact O-CB 3.26Å; D215-N220 PolarHBondContact O-ND2 2.99Å; S217-N220 CarbonylContact O-C 3.26Å; S217-N220 PolarHBondContact O-N 3.14Å; S217-N220 PolarHBondContact OG-ND2 2.62Å; I218-N220 PolarHBondContact O-N 3.34Å
221A92.6Very high91Very high0 Ų053.6 Ų53.60%029%0.292CS..  trans-105.410.6-175.700000113.4S217 I218 D223 F224 L225 V238 L247S217-A221 WeakPolarHBondContact O-CB 3.29Å; S217-A221 PolarHBondContact O-N 3.03Å; I218-A221 PolarHBondContact O-N 3.05Å; I218-A221 VanDerWaalsContact O-N 3.13Å; A221-D223 VanDerWaalsContact C-N 3.34Å; A221-D223 PolarHBondContact O-N 3.13Å; A221-F224 WeakPolarHBondContact O-CB 3.3Å; A221-F224 PolarHBondContact O-N 2.87Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.43Å; A221-L225 PolarHBondContact O-N 3.1Å; A221-V238 HydrophobicContact CB-CG2 4.28Å; A221-L247 HydrophobicContact CB-CD2 4.17Å
222N92.6Very high91.2Very high93 Ų9356.9 Ų56.950%0.49730%0.299SS..Hα-helixtrans-58.6-41.8-176.9-72.1-28.7000113.4I218 K219 F224 L225 I226I218-N222 PolarHBondContact O-OD1 2.87Å; K219-N222 PolarHBondContact O-ND2 2.79Å; N222-F224 VanDerWaalsContact C-N 3.33Å; N222-L225 PolarHBondContact O-N 2.9Å; N222-I226 VanDerWaalsContact O-CG1 3.25Å; N222-I226 WeakPolarHBondContact O-CG1 3.39Å; N222-I226 PolarHBondContact O-N 2.95Å
223D91.9Very high91.8Very high63 Ų6355.7 Ų55.734%0.33729%0.291SS..Hα-helixtrans-60-45.9176.564-44.6000111.2R185 R202 A221 E227R185-D223 IonicContact NH2-OD1 3.92Å; R202-D223 IonicContact CZ-OD2 3.98Å; R202-D223 VanDerWaalsContact CZ-OD2 3.31Å; R202-D223 IonicContact NH1-OD2 2.85Å; R202-D223 PolarHBondContact NH1-OD2 3.1Å; R202-D223 IonicContact NH2-OD2 2.79Å; R202-D223 PolarHBondContact NH2-OD2 3.26Å; A221-D223 VanDerWaalsContact C-N 3.34Å; A221-D223 PolarHBondContact O-N 3.13Å; D223-E227 PolarHBondContact O-N 3.25Å
224F94.1Very high92.3Very high2 Ų255.2 Ų55.21%0.00929%0.285CS..Hα-helixtrans-62.3-45.7175.5178.2-87.2000111.6M181 D183 A221 N222 I226 E227 F228 V238 I249M181-F224 HydrophobicContact CB-CE2 4.13Å; M181-F224 HydrophobicContact CB-CZ 3.98Å; M181-F224 HydrophobicContact CE-CD2 3.99Å; M181-F224 HydrophobicContact CE-CE2 4.05Å; M181-F224 HydrophobicContact CG-CE2 3.69Å; M181-F224 HydrophobicContact CG-CZ 4.02Å; M181-F224 WeakPolarHBondContact O-CZ 3.46Å; M181-F224 HydrophobicContact SD-CD2 4.16Å; M181-F224 HydrophobicContact SD-CE2 3.77Å; M181-F224 HydrophobicContact SD-CZ 4.04Å; D183-F224 HydrophobicContact CB-CD2 3.65Å; D183-F224 HydrophobicContact CB-CE2 3.86Å; A221-F224 WeakPolarHBondContact O-CB 3.3Å; A221-F224 PolarHBondContact O-N 2.87Å; N222-F224 VanDerWaalsContact C-N 3.33Å; F224-I226 PolarHBondContact O-N 3.3Å; F224-E227 PolarHBondContact O-N 2.82Å; F224-F228 HydrophobicContact CD1-CB 4.39Å; F224-F228 HydrophobicContact CE1-CB 4.14Å; F224-F228 HydrophobicContact CE1-CD2 4.03Å; F224-F228 HydrophobicContact CE1-CG 4.27Å; F224-F228 HydrophobicContact CZ-CD2 4.15Å; F224-F228 VanDerWaalsContact O-CB 3.23Å; F224-F228 WeakPolarHBondContact O-CB 3.34Å; F224-F228 PolarHBondContact O-N 2.94Å; F224-V238 HydrophobicContact CB-CG2 4.18Å; F224-V238 HydrophobicContact CD1-CG2 3.57Å; F224-V238 HydrophobicContact CD2-CG2 3.91Å; F224-V238 HydrophobicContact CE1-CG2 3.87Å; F224-V238 HydrophobicContact CE2-CG2 4.15Å; F224-V238 HydrophobicContact CG-CG2 3.59Å; F224-V238 HydrophobicContact CZ-CG2 4.14Å; F224-I249 HydrophobicContact CD1-CG1 4.48Å; F224-I249 HydrophobicContact CE1-CG1 3.94Å
225L95.4Very high92.9Very high20 Ų2055.2 Ų55.211%0.10529%0.285CS..Hα-helixtrans-65.3-38.5-178.7-71.5172.5000112.5I218 A221 N222 E227 F228 N229 I249I218-L225 HydrophobicContact CG2-CD1 4.3Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.43Å; A221-L225 PolarHBondContact O-N 3.1Å; N222-L225 PolarHBondContact O-N 2.9Å; L225-E227 VanDerWaalsContact C-N 3.32Å; L225-E227 PolarHBondContact O-N 3.32Å; L225-F228 PolarHBondContact O-N 3.44Å; L225-N229 VanDerWaalsContact O-CB 3.29Å; L225-N229 WeakPolarHBondContact O-CB 3.32Å; L225-N229 PolarHBondContact O-N 3Å; L225-N229 PolarHBondContact O-ND2 2.97Å; L225-N229 VanDerWaalsContact O-ND2 3.11Å; L225-I249 HydrophobicContact CD2-CD1 3.84Å; L225-I249 HydrophobicContact CD2-CG1 4.1Å; L225-I249 HydrophobicContact CD2-CG2 3.94Å
226I95.1Very high93.3Very high103 Ų10353.9 Ų53.953%0.52828%0.278SS..Hα-helixtrans-58.8-48.4176.3-72.3163.6000110N222 F224 Q230N222-I226 VanDerWaalsContact O-CG1 3.25Å; N222-I226 WeakPolarHBondContact O-CG1 3.39Å; N222-I226 PolarHBondContact O-N 2.95Å; F224-I226 PolarHBondContact O-N 3.3Å; I226-Q230 VanDerWaalsContact O-CG 3.29Å; I226-Q230 WeakPolarHBondContact O-CG 3.42Å; I226-Q230 PolarHBondContact O-N 3.32Å
227E94.7Very high93.5Very high64 Ų6453.9 Ų53.930%0.29928%0.278SS..Hα-helixtrans-72.1-41.1-179.4-177.2175.8176.100112.6M181 K201 D223 F224 L225 N229 Q230 G231M181-E227 HydrophobicContact CE-CB 3.93Å; M181-E227 HydrophobicContact CE-CG 3.64Å; M181-E227 VanDerWaalsContact CE-OE2 3.32Å; M181-E227 WeakPolarHBondContact CE-OE2 3.43Å; M181-E227 HydrophobicContact SD-CG 4.28Å; K201-E227 WeakPolarHBondContact CE-OE1 3.29Å; K201-E227 VanDerWaalsContact CE-OE2 3.32Å; K201-E227 WeakPolarHBondContact CE-OE2 3.28Å; K201-E227 IonicContact NZ-OE1 3.59Å; K201-E227 PolarHBondContact NZ-OE1 2.85Å; K201-E227 IonicContact NZ-OE2 2.56Å; K201-E227 PolarHBondContact NZ-OE2 3.19Å; D223-E227 PolarHBondContact O-N 3.25Å; F224-E227 PolarHBondContact O-N 2.82Å; L225-E227 VanDerWaalsContact C-N 3.32Å; L225-E227 PolarHBondContact O-N 3.32Å; E227-N229 PolarHBondContact O-N 2.95Å; E227-Q230 PolarHBondContact O-N 2.99Å; E227-G231 PolarHBondContact O-N 2.81Å
228F95.4Very high93.7Very high4 Ų452.5 Ų52.52%0.01827%0.269CS..Hα-helixtrans-55.2-43.8175.4-175.2-89.5000111M181 F224 L225 Q230 G231 Y233 G236 I249 A250M181-F228 HydrophobicContact CB-CD2 3.89Å; M181-F228 HydrophobicContact CB-CE2 4.34Å; M181-F228 HydrophobicContact SD-CB 4.05Å; M181-F228 HydrophobicContact SD-CD2 4.21Å; F224-F228 HydrophobicContact CD1-CB 4.39Å; F224-F228 HydrophobicContact CE1-CB 4.14Å; F224-F228 HydrophobicContact CE1-CD2 4.03Å; F224-F228 HydrophobicContact CE1-CG 4.27Å; F224-F228 HydrophobicContact CZ-CD2 4.15Å; F224-F228 VanDerWaalsContact O-CB 3.23Å; F224-F228 WeakPolarHBondContact O-CB 3.34Å; F224-F228 PolarHBondContact O-N 2.94Å; L225-F228 PolarHBondContact O-N 3.44Å; F228-Q230 VanDerWaalsContact C-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.49Å; F228-G231 PolarHBondContact O-N 2.93Å; F228-Y233 AromaticContact CD2-CD2 3.86Å; F228-Y233 HydrophobicContact CD2-CD2 3.86Å; F228-Y233 HydrophobicContact CD2-CG 4.08Å; F228-Y233 HydrophobicContact CE2-CD2 4.21Å; F228-Y233 AromaticContact CE2-CG 3.99Å; F228-Y233 HydrophobicContact CE2-CG 3.99Å; F228-Y233 HydrophobicContact CG-CD2 4.32Å; F228-Y233 WeakPolarHBondContact O-CD2 3.43Å; F228-G236 VanDerWaalsContact CE2-N 3.26Å; F228-I249 HydrophobicContact CD1-CG2 3.9Å; F228-I249 HydrophobicContact CE1-CG2 3.77Å; F228-I249 HydrophobicContact CG-CG2 4.42Å; F228-I249 HydrophobicContact CZ-CG2 4.16Å; F228-A250 WeakPolarHBondContact CE1-O 3.38Å
229N95.3Very high93.8Very high97 Ų9748.3 Ų48.352%0.51925%0.247SC..Hα-helixtrans-73.8-18179.2-69.2-23000114.2L225 E227 G253L225-N229 VanDerWaalsContact O-CB 3.29Å; L225-N229 WeakPolarHBondContact O-CB 3.32Å; L225-N229 PolarHBondContact O-N 3Å; L225-N229 PolarHBondContact O-ND2 2.97Å; L225-N229 VanDerWaalsContact O-ND2 3.11Å; E227-N229 PolarHBondContact O-N 2.95Å; N229-G253 WeakPolarHBondContact OD1-CA 3.38Å
230Q94.6Very high93.9Very high158 Ų15840.1 Ų40.174%0.73821%0.211SC*.Hα-helixtrans-86.3-25.2173.6-73.2171.7-1.800112.1I226 E227 F228I226-Q230 VanDerWaalsContact O-CG 3.29Å; I226-Q230 WeakPolarHBondContact O-CG 3.42Å; I226-Q230 PolarHBondContact O-N 3.32Å; E227-Q230 PolarHBondContact O-N 2.99Å; F228-Q230 VanDerWaalsContact C-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.49Å
231G90Very high93.8Very high35 Ų3538.6 Ų38.636%0.36120%0.203SC..SBendtrans-86.1174.1175.400000113.2E227 F228E227-G231 PolarHBondContact O-N 2.81Å; F228-G231 PolarHBondContact O-N 2.93Å
232N91.3Very high93.8Very high110 Ų11039.6 Ų39.659%0.58821%0.209SC*.  trans-105.892169.1-174.537.3000107.9R179R179-N232 WeakPolarHBondContact CB-O 3.2Å; R179-N232 WeakPolarHBondContact CD-O 3.41Å
233Y94.4Very high93.8Very high26 Ų2635.1 Ų35.110%0.10219%0.185CC..  trans-126136.3-177.2-60.9-72.6000110.6R179 M181 D199 F228 Q251R179-Y233 HydrophobicContact CB-CD1 4Å; M181-Y233 HydrophobicContact CB-CD1 3.84Å; M181-Y233 HydrophobicContact CB-CD2 4.17Å; M181-Y233 HydrophobicContact CB-CE1 3.83Å; M181-Y233 HydrophobicContact CB-CE2 4.15Å; M181-Y233 HydrophobicContact CB-CG 4.01Å; M181-Y233 HydrophobicContact CG-CE1 4.28Å; M181-Y233 HydrophobicContact CG-CE2 4.26Å; M181-Y233 HydrophobicContact SD-CD2 4.35Å; M181-Y233 HydrophobicContact SD-CE2 3.81Å; D199-Y233 HydrophobicContact CB-CE1 3.93Å; D199-Y233 VanDerWaalsContact OD2-CE1 3.29Å; D199-Y233 WeakPolarHBondContact OD2-CE1 3.37Å; D199-Y233 PolarHBondContact OD2-OH 3.02Å; F228-Y233 AromaticContact CD2-CD2 3.86Å; F228-Y233 HydrophobicContact CD2-CD2 3.86Å; F228-Y233 HydrophobicContact CD2-CG 4.08Å; F228-Y233 HydrophobicContact CE2-CD2 4.21Å; F228-Y233 AromaticContact CE2-CG 3.99Å; F228-Y233 HydrophobicContact CE2-CG 3.99Å; F228-Y233 HydrophobicContact CG-CD2 4.32Å; F228-Y233 WeakPolarHBondContact O-CD2 3.43Å; Y233-Q251 WeakPolarHBondContact O-CA 3.27Å
234E93.7Very high93.9Very high34 Ų3432.5 Ų32.516%0.15917%0.171CC..SBendtrans-85.6-31.4178.6-73.869.5-15400112.7V178 R179 Q251 Y355V178-E234 HydrophobicContact CG1-CB 4.02Å; V178-E234 HydrophobicContact CG1-CG 4.44Å; R179-E234 WeakPolarHBondContact CA-OE2 3.42Å; R179-E234 WeakPolarHBondContact CB-OE2 3.46Å; R179-E234 PolarHBondContact N-OE2 2.81Å; R179-E234 PolarHBondContact O-N 3.27Å; E234-Q251 WeakPolarHBondContact O-CB 3.36Å; E234-Q251 PolarHBondContact O-N 3.27Å; E234-Y355 HydrophobicContact CB-CE2 4.41Å
235I95.8Very high94Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-146.4132.3179.1-55.6-179.7000109.9L180 M181 I248 L348 L352 Y355 V362L180-I235 VanDerWaalsContact CA-O 3.3Å; L180-I235 WeakPolarHBondContact CA-O 3.18Å; L180-I235 HydrophobicContact CD2-CB 3.69Å; L180-I235 HydrophobicContact CD2-CG1 4.38Å; L180-I235 HydrophobicContact CD2-CG2 4.47Å; M181-I235 PolarHBondContact N-O 3.26Å; I235-I248 HydrophobicContact CG2-CG2 4.24Å; I235-L348 HydrophobicContact CG2-CD1 4.13Å; I235-L352 HydrophobicContact CD1-CD2 4.06Å; I235-Y355 HydrophobicContact CD1-CD2 3.91Å; I235-Y355 HydrophobicContact CD1-CG 4.2Å; I235-Y355 HydrophobicContact CG1-CD2 4.45Å; I235-V362 HydrophobicContact CD1-CG2 3.76Å; I235-V362 HydrophobicContact CG1-CG2 3.65Å
236G96Very high94Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-108.8150.5171.100000111.9M181 F228 I249M181-G236 CarbonylContact O-C 3.49Å; M181-G236 VanDerWaalsContact O-CA 3.3Å; M181-G236 WeakPolarHBondContact O-CA 3.46Å; F228-G236 VanDerWaalsContact CE2-N 3.26Å; G236-I249 PolarHBondContact N-O 3.16Å; G236-I249 PolarHBondContact O-N 3.29Å
237A95.9Very high94.1Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-141.3130.7171.500000112.1M181 I182 D183 F239 L247 I248 L348M181-A237 PolarHBondContact O-N 3.12Å; I182-A237 CarbonylContact C-O 3.58Å; I182-A237 WeakPolarHBondContact CA-O 3.46Å; I182-A237 HydrophobicContact CG2-CB 4.4Å; D183-A237 PolarHBondContact N-O 2.99Å; A237-F239 HydrophobicContact CB-CE1 3.89Å; A237-F239 HydrophobicContact CB-CZ 4.3Å; A237-L247 WeakPolarHBondContact CA-O 3.33Å; A237-I248 HydrophobicContact CB-CD1 4.25Å; A237-L348 HydrophobicContact CB-CD1 4.03Å; A237-L348 HydrophobicContact CB-CD2 3.93Å; A237-L348 HydrophobicContact CB-CG 4.42Å
238V95.2Very high94.2Very high0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-113.4117.3170.7-174.80000108.6D183 R185 P216 A221 F224 A246 L247D183-V238 HydrophobicContact CB-CG1 4.35Å; D183-V238 HydrophobicContact CB-CG2 4.35Å; R185-V238 HydrophobicContact CG-CG1 4.12Å; P216-V238 HydrophobicContact CB-CB 4.28Å; P216-V238 HydrophobicContact CB-CG1 4.05Å; P216-V238 WeakPolarHBondContact CB-O 3.36Å; A221-V238 HydrophobicContact CB-CG2 4.28Å; F224-V238 HydrophobicContact CB-CG2 4.18Å; F224-V238 HydrophobicContact CD1-CG2 3.57Å; F224-V238 HydrophobicContact CD2-CG2 3.91Å; F224-V238 HydrophobicContact CE1-CG2 3.87Å; F224-V238 HydrophobicContact CE2-CG2 4.15Å; F224-V238 HydrophobicContact CG-CG2 3.59Å; F224-V238 HydrophobicContact CZ-CG2 4.14Å; V238-A246 WeakPolarHBondContact O-CA 3.48Å; V238-L247 HydrophobicContact CB-CB 4.39Å; V238-L247 PolarHBondContact N-O 2.82Å; V238-L247 PolarHBondContact O-N 3.2Å
239F94.1Very high94.3Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-90.8152.9179.5-58.6-33.8000112.2I182 D183 R185 F190 A237 R245 A246 G344 I345 L348I182-F239 HydrophobicContact CG2-CD2 3.97Å; I182-F239 HydrophobicContact CG2-CE2 3.42Å; I182-F239 VanDerWaalsContact CG2-CE2 3.42Å; I182-F239 HydrophobicContact CG2-CZ 3.81Å; D183-F239 PolarHBondContact O-N 3.22Å; R185-F239 WeakPolarHBondContact CG-O 3.47Å; F190-F239 HydrophobicContact CD2-CD2 4.16Å; F190-F239 HydrophobicContact CE2-CD2 4.15Å; F190-F239 HydrophobicContact CG-CD2 4.41Å; F190-F239 HydrophobicContact CZ-CD2 4.36Å; A237-F239 HydrophobicContact CB-CE1 3.89Å; A237-F239 HydrophobicContact CB-CZ 4.3Å; F239-R245 CarbonylContact C-O 3.4Å; F239-R245 VanDerWaalsContact CA-O 3.29Å; F239-R245 WeakPolarHBondContact CA-O 3.5Å; F239-A246 HydrophobicContact CD1-CB 3.64Å; F239-A246 HydrophobicContact CE1-CB 3.84Å; F239-G344 WeakPolarHBondContact CE1-O 3.46Å; F239-I345 HydrophobicContact CE2-CG1 4.19Å; F239-I345 HydrophobicContact CZ-CG1 4.34Å; F239-L348 HydrophobicContact CE1-CB 4.2Å; F239-L348 HydrophobicContact CE1-CD2 4.28Å; F239-L348 HydrophobicContact CZ-CB 4.22Å; F239-L348 HydrophobicContact CZ-CD2 3.69Å
240S92.9Very high94.5Very high0 Ų020.2 Ų20.20%011%0.108CC..  trans-69.3154.616160.10000110.6S214 D242 G243 T244 R245S214-S240 VanDerWaalsContact O-CA 3.27Å; S214-S240 WeakPolarHBondContact O-CA 3.38Å; S214-S240 WeakPolarHBondContact O-CB 2.98Å; S240-D242 WeakPolarHBondContact CB-OD1 3.2Å; S240-D242 PolarHBondContact O-N 3.49Å; S240-D242 VanDerWaalsContact O-N 3.1Å; S240-D242 PolarHBondContact OG-OD1 2.92Å; S240-G243 PolarHBondContact O-N 3.02Å; S240-T244 PolarHBondContact OG-N 3.03Å; S240-T244 PolarHBondContact OG-OG1 2.94Å; S240-R245 PolarHBondContact N-O 3.21Å; S240-R245 PolarHBondContact OG-N 3.41Å
241C89.5Confident94.5Very high2 Ų215.5 Ų15.51%0.0149%0.086CC..THydrogen-bonded Turntrans-63-21.7-178.271.80000113.6G75 G187 F209 S214G75-C241 PolarHBondContact O-SG 3.07Å; G75-C241 VanDerWaalsContact O-SG 3.34Å; G187-C241 CarbonylContact C-O 3.54Å; G187-C241 VanDerWaalsContact C-O 3.26Å; G187-C241 WeakPolarHBondContact CA-O 3.42Å; G187-C241 VanDerWaalsContact O-O 3.04Å; F209-C241 HydrophobicContact CB-CB 4.3Å; F209-C241 HydrophobicContact CD1-CB 3.35Å; F209-C241 HydrophobicContact CE1-CB 3.72Å; F209-C241 HydrophobicContact CG-CB 3.8Å; F209-C241 HydrophobicContact CZ-CB 4.47Å; S214-C241 WeakPolarHBondContact CB-SG 3.39Å
242D91.5Very high94.8Very high20 Ų2017.2 Ų17.211%0.1079%0.087CC..THydrogen-bonded Turntrans-93.44.6176.470.1-5000113.4T53 T54 P55 S240 T244T53-D242 WeakPolarHBondContact CB-O 3.25Å; T54-D242 PolarHBondContact N-O 3.48Å; P55-D242 WeakPolarHBondContact CD-O 3.25Å; S240-D242 WeakPolarHBondContact CB-OD1 3.2Å; S240-D242 PolarHBondContact O-N 3.49Å; S240-D242 VanDerWaalsContact O-N 3.1Å; S240-D242 PolarHBondContact OG-OD1 2.92Å; D242-T244 PolarHBondContact O-N 2.85Å; D242-T244 WeakPolarHBondContact OD1-CB 3.4Å; D242-T244 PolarHBondContact OD1-N 2.88Å; D242-T244 VanDerWaalsContact OD1-N 3.15Å; D242-T244 PolarHBondContact OD1-OG1 3.35Å; D242-T244 PolarHBondContact OD2-OG1 2.99Å
243G92.9Very high95Very high0 Ų012.4 Ų12.40%06%0.063CC..SBendtrans71.23.6178.800000115.1S240 G344S240-G243 PolarHBondContact O-N 3.02Å; G243-G344 PolarHBondContact O-N 2.9Å
244T94.6Very high95.1Very high7 Ų716 Ų164%0.0438%0.083CC..SBendtrans-78.2-26-175.161.90000113.2T54 S240 D242 Y342 D343 G344T54-T244 VanDerWaalsContact CB-CG2 3.46Å; T54-T244 HydrophobicContact CG2-CG2 3.83Å; S240-T244 PolarHBondContact OG-N 3.03Å; S240-T244 PolarHBondContact OG-OG1 2.94Å; D242-T244 PolarHBondContact O-N 2.85Å; D242-T244 WeakPolarHBondContact OD1-CB 3.4Å; D242-T244 PolarHBondContact OD1-N 2.88Å; D242-T244 VanDerWaalsContact OD1-N 3.15Å; D242-T244 PolarHBondContact OD1-OG1 3.35Å; D242-T244 PolarHBondContact OD2-OG1 2.99Å; T244-Y342 WeakPolarHBondContact CA-O 3.46Å; T244-Y342 CarbonylContact O-C 3.36Å; T244-Y342 VanDerWaalsContact O-C 3.26Å; T244-Y342 WeakPolarHBondContact O-CB 3.43Å; T244-D343 PolarHBondContact O-N 3.45Å; T244-G344 PolarHBondContact O-N 3.22Å
245R95.3Very high95.2Very high20 Ų2016.4 Ų16.48%0.0759%0.089CC..  trans-123152.1-171.2-48.4-54.1-178.4131.2-13.5111.4P216 F239 S240 D329 L331 N332 G333P216-R245 HydrophobicContact CG-CB 3.64Å; F239-R245 CarbonylContact C-O 3.4Å; F239-R245 VanDerWaalsContact CA-O 3.29Å; F239-R245 WeakPolarHBondContact CA-O 3.5Å; S240-R245 PolarHBondContact N-O 3.21Å; S240-R245 PolarHBondContact OG-N 3.41Å; R245-D329 IonicContact CZ-OD1 2.79Å; R245-D329 IonicContact CZ-OD2 3.54Å; R245-D329 VanDerWaalsContact CZ-OD2 3.3Å; R245-D329 IonicContact NH1-OD1 2.65Å; R245-D329 PolarHBondContact NH1-OD1 3.18Å; R245-D329 IonicContact NH1-OD2 2.63Å; R245-D329 PolarHBondContact NH1-OD2 3.3Å; R245-D329 IonicContact NH2-OD1 3.36Å; R245-D329 IonicContact NH2-OD2 3.52Å; R245-D329 PolarHBondContact NH2-OD2 2.93Å; R245-L331 WeakPolarHBondContact CD-O 3.36Å; R245-L331 PolarHBondContact NH1-O 2.81Å; R245-N332 VanDerWaalsContact CA-O 3.29Å; R245-N332 WeakPolarHBondContact CA-O 3.34Å; R245-N332 HydrophobicContact CB-CB 4.45Å; R245-N332 WeakPolarHBondContact CB-O 3.42Å; R245-G333 VanDerWaalsContact CD-CA 3.48Å; R245-G333 VanDerWaalsContact NH1-N 3.1Å
246A95.9Very high95.2Very high3 Ų316.8 Ų16.83%0.0259%0.092CC..EExtended strand (participates in β ladder)trans-143.4128.3172.400000111.4V238 F239 I248 N332 G344 L347V238-A246 WeakPolarHBondContact O-CA 3.48Å; F239-A246 HydrophobicContact CD1-CB 3.64Å; F239-A246 HydrophobicContact CE1-CB 3.84Å; A246-I248 HydrophobicContact CB-CD1 4.33Å; A246-N332 PolarHBondContact N-O 3.22Å; A246-N332 VanDerWaalsContact N-O 3.1Å; A246-G344 WeakPolarHBondContact CB-O 3.36Å; A246-L347 HydrophobicContact CB-CD2 4.22Å
247L96.9Very high95.2Very high5 Ų519 Ų193%0.02611%0.109CC..EExtended strand (participates in β ladder)trans-91.7115.4163.7177.364.2000108.5P216 I218 A221 A237 V238 I249 P255P216-L247 HydrophobicContact CB-CB 4.07Å; P216-L247 WeakPolarHBondContact O-CB 3.42Å; I218-L247 HydrophobicContact CG1-CD2 4.35Å; A221-L247 HydrophobicContact CB-CD2 4.17Å; A237-L247 WeakPolarHBondContact CA-O 3.33Å; V238-L247 HydrophobicContact CB-CB 4.39Å; V238-L247 PolarHBondContact N-O 2.82Å; V238-L247 PolarHBondContact O-N 3.2Å; L247-I249 HydrophobicContact CD1-CD1 4.39Å; L247-I249 HydrophobicContact CD2-CD1 3.85Å; L247-I249 HydrophobicContact CG-CD1 3.73Å; L247-P255 HydrophobicContact CD1-CB 3.98Å
248I97.8Very high95.2Very high2 Ų219.4 Ų19.41%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-88.7133.7176.4-54.2-60.9000108.9I235 A237 A246 V256 L347 L348 W351I235-I248 HydrophobicContact CG2-CG2 4.24Å; A237-I248 HydrophobicContact CB-CD1 4.25Å; A246-I248 HydrophobicContact CB-CD1 4.33Å; I248-V256 HydrophobicContact CB-CB 4.22Å; I248-V256 HydrophobicContact CB-CG2 4.26Å; I248-V256 HydrophobicContact CG2-CG2 4.03Å; I248-V256 PolarHBondContact O-N 3.47Å; I248-L347 HydrophobicContact CG1-CD2 4.27Å; I248-L347 HydrophobicContact CG1-CG 4.38Å; I248-L348 HydrophobicContact CD1-CB 4.4Å; I248-L348 HydrophobicContact CD1-CD1 4.27Å; I248-W351 HydrophobicContact CG2-CD2 4.45Å; I248-W351 HydrophobicContact CG2-CG 4.28Å
249I97.8Very high95.2Very high0 Ų019.5 Ų19.50%011%0.113CC..EExtended strand (participates in β ladder)trans-115.7129.6177.8-51.7-57.6000108.2F224 L225 F228 G236 L247 P255F224-I249 HydrophobicContact CD1-CG1 4.48Å; F224-I249 HydrophobicContact CE1-CG1 3.94Å; L225-I249 HydrophobicContact CD2-CD1 3.84Å; L225-I249 HydrophobicContact CD2-CG1 4.1Å; L225-I249 HydrophobicContact CD2-CG2 3.94Å; F228-I249 HydrophobicContact CD1-CG2 3.9Å; F228-I249 HydrophobicContact CE1-CG2 3.77Å; F228-I249 HydrophobicContact CG-CG2 4.42Å; F228-I249 HydrophobicContact CZ-CG2 4.16Å; G236-I249 PolarHBondContact N-O 3.16Å; G236-I249 PolarHBondContact O-N 3.29Å; L247-I249 HydrophobicContact CD1-CD1 4.39Å; L247-I249 HydrophobicContact CD2-CD1 3.85Å; L247-I249 HydrophobicContact CG-CD1 3.73Å; I249-P255 HydrophobicContact CD1-CB 3.73Å
250A97.8Very high95.4Very high2 Ų219.8 Ų19.82%0.01712%0.115CC..EExtended strand (participates in β ladder)trans-78.8164175.300000111.4F228 D252 G253 L254 V362 T363F228-A250 WeakPolarHBondContact CE1-O 3.38Å; A250-D252 WeakPolarHBondContact CB-OD1 3.34Å; A250-D252 PolarHBondContact O-N 3.16Å; A250-G253 PolarHBondContact O-N 2.79Å; A250-L254 PolarHBondContact N-O 3.34Å; A250-V362 HydrophobicContact CB-CB 3.8Å; A250-V362 HydrophobicContact CB-CG1 3.75Å; A250-T363 WeakPolarHBondContact CB-OG1 3.25Å
251Q95.8Very high95.6Very high60 Ų6019.9 Ų19.928%0.2812%0.115SC..THydrogen-bonded Turntrans-56.6-22.9-177.573.2-64.2-28.200115.1Y233 E234 G253 A361 T363Y233-Q251 WeakPolarHBondContact O-CA 3.27Å; E234-Q251 WeakPolarHBondContact O-CB 3.36Å; E234-Q251 PolarHBondContact O-N 3.27Å; Q251-G253 VanDerWaalsContact C-N 3.26Å; Q251-A361 HydrophobicContact CG-CB 4.09Å; Q251-T363 VanDerWaalsContact NE2-CB 3.28Å; Q251-T363 PolarHBondContact NE2-OG1 2.92Å
252D96.1Very high96Very high70 Ų7019.9 Ų19.937%0.37412%0.115SC..THydrogen-bonded Turntrans-88.810.317756.29.7000112.8A250 L254 T363A250-D252 WeakPolarHBondContact CB-OD1 3.34Å; A250-D252 PolarHBondContact O-N 3.16Å; D252-L254 PolarHBondContact O-N 2.91Å; D252-L254 VanDerWaalsContact OD1-CB 3.25Å; D252-L254 WeakPolarHBondContact OD1-CB 3.32Å; D252-L254 WeakPolarHBondContact OD1-CG 3.41Å; D252-L254 PolarHBondContact OD1-N 3.37Å; D252-L254 VanDerWaalsContact OD1-N 3.08Å; D252-T363 PolarHBondContact OD1-OG1 2.98Å; D252-T363 WeakPolarHBondContact OD2-CB 3.15Å; D252-T363 WeakPolarHBondContact OD2-CG2 3.34Å; D252-T363 PolarHBondContact OD2-OG1 3.42Å
253G96Very high96.3Very high9 Ų918.9 Ų18.99%0.09311%0.11CC..SBendtrans792.5-178.300000114.1N229 A250 Q251N229-G253 WeakPolarHBondContact OD1-CA 3.38Å; A250-G253 PolarHBondContact O-N 2.79Å; Q251-G253 VanDerWaalsContact C-N 3.26Å
254L95.8Very high96.6Very high101 Ų10118.9 Ų18.953%0.52911%0.11SC..PPolyproline II helixtrans-82.2129.3-177.8-62.2-180000111.3A250 D252A250-L254 PolarHBondContact N-O 3.34Å; D252-L254 PolarHBondContact O-N 2.91Å; D252-L254 VanDerWaalsContact OD1-CB 3.25Å; D252-L254 WeakPolarHBondContact OD1-CB 3.32Å; D252-L254 WeakPolarHBondContact OD1-CG 3.41Å; D252-L254 PolarHBondContact OD1-N 3.37Å; D252-L254 VanDerWaalsContact OD1-N 3.08Å
255P95.8Very high96.7Very high44 Ų4418.6 Ų18.629%0.28611%0.108SC..BIsolated β-bridgetrans-69.9132.9173.527.2-31.7000110.9I218 L247 I249 A257I218-P255 HydrophobicContact CD1-CB 3.89Å; I218-P255 HydrophobicContact CD1-CG 3.39Å; I218-P255 HydrophobicContact CG1-CB 3.81Å; I218-P255 HydrophobicContact CG1-CG 3.7Å; L247-P255 HydrophobicContact CD1-CB 3.98Å; I249-P255 HydrophobicContact CD1-CB 3.73Å; P255-A257 PolarHBondContact O-N 2.92Å
256V96.6Very high96.9Very high8 Ų817.6 Ų17.65%0.04810%0.104CC..PPolyproline II helixtrans-79.8120.8174.2-175.40000109.1I248 V258 W351 V362 I366I248-V256 HydrophobicContact CB-CB 4.22Å; I248-V256 HydrophobicContact CB-CG2 4.26Å; I248-V256 HydrophobicContact CG2-CG2 4.03Å; I248-V256 PolarHBondContact O-N 3.47Å; V256-V258 PolarHBondContact O-N 2.72Å; V256-W351 HydrophobicContact CG1-CH2 4.43Å; V256-W351 HydrophobicContact CG1-CZ2 3.86Å; V256-V362 HydrophobicContact CG2-CG1 3.69Å; V256-I366 HydrophobicContact CB-CD1 4.35Å; V256-I366 HydrophobicContact CG1-CD1 3.75Å; V256-I366 HydrophobicContact CG2-CD1 3.78Å
257A95Very high96.9Very high45 Ų4519.5 Ų19.537%0.37211%0.112SC..PPolyproline II helixtrans-60.7132.2174.300000110.6P255 S259 T260 S261P255-A257 PolarHBondContact O-N 2.92Å; A257-S259 PolarHBondContact O-N 2.86Å; A257-S259 VanDerWaalsContact O-N 3.13Å; A257-T260 WeakPolarHBondContact O-CA 3.42Å; A257-T260 WeakPolarHBondContact O-CB 3.29Å; A257-T260 PolarHBondContact O-N 2.6Å; A257-S261 PolarHBondContact O-N 3.15Å
258V95.5Very high96.9Very high10 Ų1019.2 Ų19.26%0.06111%0.111CC..Hα-helixtrans-55.2-36.3-176.563.70000113.5V256 T260 S261 L262 D329 N332 V334V256-V258 PolarHBondContact O-N 2.72Å; V258-T260 VanDerWaalsContact C-N 3.34Å; V258-T260 PolarHBondContact O-N 2.86Å; V258-S261 CarbonylContact O-C 3.59Å; V258-S261 WeakPolarHBondContact O-CB 3.47Å; V258-S261 PolarHBondContact O-N 2.69Å; V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 PolarHBondContact O-N 3.22Å; V258-D329 VanDerWaalsContact CG1-O 3.3Å; V258-D329 WeakPolarHBondContact CG1-O 3.07Å; V258-D329 VanDerWaalsContact CG2-O 3.28Å; V258-D329 WeakPolarHBondContact CG2-O 3.33Å; V258-N332 WeakPolarHBondContact CB-OD1 3.46Å; V258-V334 HydrophobicContact CG2-CG2 3.59Å
259S96.2Very high96.8Very high1 Ų119.5 Ų19.51%0.00711%0.112CC..Hα-helixtrans-67.3-34.9177.758.50000112.9A257 A263 S291A257-S259 PolarHBondContact O-N 2.86Å; A257-S259 VanDerWaalsContact O-N 3.13Å; S259-A263 WeakPolarHBondContact O-CB 3.11Å; S259-A263 PolarHBondContact O-N 2.81Å; S259-A263 VanDerWaalsContact O-N 3.17Å; S259-S291 WeakPolarHBondContact CB-OG 3.46Å; S259-S291 PolarHBondContact OG-OG 3.14Å
260T97.1Very high96.6Very high7 Ų725.3 Ų25.34%0.04314%0.14CC..Hα-helixtrans-69.6-41.8170.9-61.10000110A257 V258 L262 A263 V264 I366A257-T260 WeakPolarHBondContact O-CA 3.42Å; A257-T260 WeakPolarHBondContact O-CB 3.29Å; A257-T260 PolarHBondContact O-N 2.6Å; V258-T260 VanDerWaalsContact C-N 3.34Å; V258-T260 PolarHBondContact O-N 2.86Å; T260-L262 PolarHBondContact O-N 2.86Å; T260-A263 PolarHBondContact O-N 2.73Å; T260-V264 HydrophobicContact CG2-CG2 4.06Å; T260-V264 WeakPolarHBondContact O-CB 3.05Å; T260-V264 VanDerWaalsContact O-CG2 3.27Å; T260-V264 WeakPolarHBondContact O-CG2 3.37Å; T260-V264 PolarHBondContact O-N 2.94Å; T260-I366 HydrophobicContact CG2-CD1 4.4Å; T260-I366 HydrophobicContact CG2-CG1 4.06Å; T260-I366 HydrophobicContact CG2-CG2 3.81Å
261S97.5Very high96.4Very high2 Ų227.5 Ų27.51%0.01415%0.148CC..Hα-helixtrans-59.3-47.8176.3-171.40000112.7A257 V258 A263 V265 W351A257-S261 PolarHBondContact O-N 3.15Å; V258-S261 CarbonylContact O-C 3.59Å; V258-S261 WeakPolarHBondContact O-CB 3.47Å; V258-S261 PolarHBondContact O-N 2.69Å; S261-A263 VanDerWaalsContact C-N 3.35Å; S261-A263 PolarHBondContact O-N 2.67Å; S261-V265 WeakPolarHBondContact O-CB 3.44Å; S261-V265 VanDerWaalsContact O-CG2 3.24Å; S261-V265 WeakPolarHBondContact O-CG2 3.33Å; S261-V265 PolarHBondContact O-N 3.06Å; S261-W351 PolarHBondContact OG-NE1 3.26Å
262L98.2Very high96.2Very high1 Ų124.8 Ų24.81%0.00514%0.135CC..Hα-helixtrans-56.9-48.217517363.4000111V258 T260 A266 R286 T290 V294 I326 V334V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 PolarHBondContact O-N 3.22Å; T260-L262 PolarHBondContact O-N 2.86Å; L262-A266 WeakPolarHBondContact O-CB 3.5Å; L262-A266 PolarHBondContact O-N 3.25Å; L262-R286 HydrophobicContact CD2-CB 4.1Å; L262-T290 HydrophobicContact CD2-CG2 4.1Å; L262-V294 HydrophobicContact CD2-CB 4.24Å; L262-V294 HydrophobicContact CD2-CG1 3.98Å; L262-V294 HydrophobicContact CG-CB 4.2Å; L262-V294 HydrophobicContact CG-CG1 4.48Å; L262-V294 HydrophobicContact CG-CG2 4.23Å; L262-I326 HydrophobicContact CD1-CG2 3.45Å; L262-I326 VanDerWaalsContact CD1-CG2 3.45Å; L262-V334 HydrophobicContact CB-CG2 4.21Å; L262-V334 HydrophobicContact CD1-CG1 3.87Å
263A98.3Very high96Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-69.9-41.4-176.100000113S259 T260 S261 A266 E267 A293 V294 V297 F369S259-A263 WeakPolarHBondContact O-CB 3.11Å; S259-A263 PolarHBondContact O-N 2.81Å; S259-A263 VanDerWaalsContact O-N 3.17Å; T260-A263 PolarHBondContact O-N 2.73Å; S261-A263 VanDerWaalsContact C-N 3.35Å; S261-A263 PolarHBondContact O-N 2.67Å; A263-A266 PolarHBondContact O-N 2.98Å; A263-E267 WeakPolarHBondContact O-CB 3.37Å; A263-E267 PolarHBondContact O-N 2.82Å; A263-A293 HydrophobicContact CB-CB 3.72Å; A263-V294 HydrophobicContact CB-CB 4.2Å; A263-V297 HydrophobicContact CB-CG2 4.18Å; A263-F369 HydrophobicContact CB-CE1 4.15Å; A263-F369 HydrophobicContact CB-CE2 4.04Å; A263-F369 HydrophobicContact CB-CZ 3.45Å; A263-F369 VanDerWaalsContact CB-CZ 3.45Å
264V98.3Very high95.8Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-63.5-46175.9170.10000110.4T260 A266 E267 S268 W351 I354 F369T260-V264 HydrophobicContact CG2-CG2 4.06Å; T260-V264 WeakPolarHBondContact O-CB 3.05Å; T260-V264 VanDerWaalsContact O-CG2 3.27Å; T260-V264 WeakPolarHBondContact O-CG2 3.37Å; T260-V264 PolarHBondContact O-N 2.94Å; V264-A266 VanDerWaalsContact C-N 3.33Å; V264-A266 PolarHBondContact O-N 2.55Å; V264-E267 PolarHBondContact O-N 3.25Å; V264-S268 VanDerWaalsContact O-CB 3.27Å; V264-S268 WeakPolarHBondContact O-CB 3.37Å; V264-S268 PolarHBondContact O-N 2.93Å; V264-S268 PolarHBondContact O-OG 3.03Å; V264-W351 HydrophobicContact CB-CH2 4.07Å; V264-W351 HydrophobicContact CB-CZ2 4.28Å; V264-W351 HydrophobicContact CG1-CH2 3.64Å; V264-W351 HydrophobicContact CG1-CZ2 4.19Å; V264-W351 HydrophobicContact CG1-CZ3 3.96Å; V264-W351 HydrophobicContact CG2-CH2 4.34Å; V264-I354 HydrophobicContact CG1-CD1 4.01Å; V264-F369 HydrophobicContact CG2-CB 3.9Å; V264-F369 HydrophobicContact CG2-CD1 3.97Å; V264-F369 HydrophobicContact CG2-CD2 3.76Å; V264-F369 HydrophobicContact CG2-CE2 4.34Å; V264-F369 HydrophobicContact CG2-CG 3.58Å
265V97.9Very high95.6Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-64.2-39.4177.1174.20000111.7S261 S268 L269 I326 W346 L347 A350 I354S261-V265 WeakPolarHBondContact O-CB 3.44Å; S261-V265 VanDerWaalsContact O-CG2 3.24Å; S261-V265 WeakPolarHBondContact O-CG2 3.33Å; S261-V265 PolarHBondContact O-N 3.06Å; V265-S268 PolarHBondContact O-N 3.1Å; V265-L269 PolarHBondContact O-N 2.63Å; V265-I326 HydrophobicContact CG1-CD1 3.94Å; V265-W346 HydrophobicContact CG1-CH2 3.68Å; V265-W346 HydrophobicContact CG1-CZ3 4.21Å; V265-L347 HydrophobicContact CG2-CD1 3.96Å; V265-A350 HydrophobicContact CG1-CB 3.91Å; V265-A350 HydrophobicContact CG2-CB 4.13Å; V265-I354 HydrophobicContact CB-CD1 4.45Å; V265-I354 HydrophobicContact CG2-CD1 3.89Å
266A98Very high95.3Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-62.1-41.4176.600000112.7L262 A263 V264 L269 F284 V294 V297L262-A266 WeakPolarHBondContact O-CB 3.5Å; L262-A266 PolarHBondContact O-N 3.25Å; A263-A266 PolarHBondContact O-N 2.98Å; V264-A266 VanDerWaalsContact C-N 3.33Å; V264-A266 PolarHBondContact O-N 2.55Å; A266-L269 WeakPolarHBondContact O-CG 3.38Å; A266-F284 HydrophobicContact CB-CD1 4.32Å; A266-F284 HydrophobicContact CB-CD2 4.08Å; A266-F284 HydrophobicContact CB-CE1 3.98Å; A266-F284 HydrophobicContact CB-CE2 3.69Å; A266-F284 HydrophobicContact CB-CG 4.38Å; A266-F284 HydrophobicContact CB-CZ 3.63Å; A266-V294 HydrophobicContact CB-CG2 3.94Å; A266-V297 HydrophobicContact CB-CG1 4.35Å
267E97.1Very high94.9Very high42 Ų4234.5 Ų34.520%0.19617%0.165CC..Hα-helixtrans-67.9-39.5176.4178.2-88.8166.700111.9A263 V264 L269 V297 F369 Y373A263-E267 WeakPolarHBondContact O-CB 3.37Å; A263-E267 PolarHBondContact O-N 2.82Å; V264-E267 PolarHBondContact O-N 3.25Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.88Å; E267-V297 HydrophobicContact CB-CG1 3.73Å; E267-V297 HydrophobicContact CB-CG2 4.26Å; E267-F369 HydrophobicContact CB-CE2 4.32Å; E267-Y373 HydrophobicContact CG-CE2 3.82Å
268S96.6Very high94.6Very high0 Ų034.7 Ų34.70%016%0.163CC..THydrogen-bonded Turntrans-87.910.2-173.1-61.90000114.2V264 V265 Q270 W271V264-S268 VanDerWaalsContact O-CB 3.27Å; V264-S268 WeakPolarHBondContact O-CB 3.37Å; V264-S268 PolarHBondContact O-N 2.93Å; V264-S268 PolarHBondContact O-OG 3.03Å; V265-S268 PolarHBondContact O-N 3.1Å; S268-Q270 PolarHBondContact O-N 3.25Å; S268-Q270 VanDerWaalsContact O-N 3.11Å; S268-W271 VanDerWaalsContact CB-CE3 3.45Å; S268-W271 WeakPolarHBondContact O-CB 3.26Å; S268-W271 PolarHBondContact O-N 2.96Å; S268-W271 WeakPolarHBondContact OG-CZ3 3.34Å
269L95.6Very high94Very high7 Ų742.6 Ų42.64%0.03720%0.197CC..G310 helixtrans-52.7-38.6-173.7-88.3-176.7000113.9V265 A266 E267 W271 L272 F275 V281 F284 I326V265-L269 PolarHBondContact O-N 2.63Å; A266-L269 WeakPolarHBondContact O-CG 3.38Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.88Å; L269-W271 PolarHBondContact O-N 3.32Å; L269-L272 HydrophobicContact CD2-CD2 4.28Å; L269-L272 WeakPolarHBondContact O-CB 3.28Å; L269-L272 PolarHBondContact O-N 2.87Å; L269-F275 HydrophobicContact CB-CG 4.43Å; L269-F275 HydrophobicContact CD2-CD1 4.36Å; L269-F275 HydrophobicContact CD2-CD2 3.43Å; L269-F275 VanDerWaalsContact CD2-CD2 3.43Å; L269-F275 HydrophobicContact CD2-CE1 4.33Å; L269-F275 HydrophobicContact CD2-CE2 3.35Å; L269-F275 HydrophobicContact CD2-CG 3.92Å; L269-F275 HydrophobicContact CD2-CZ 3.81Å; L269-F275 WeakPolarHBondContact O-CB 3.35Å; L269-V281 HydrophobicContact CD1-CG1 3.89Å; L269-V281 HydrophobicContact CD1-CG2 3.79Å; L269-F284 HydrophobicContact CD1-CE1 3.73Å; L269-F284 HydrophobicContact CD1-CZ 4.15Å; L269-I326 HydrophobicContact CD1-CD1 3.86Å; L269-I326 HydrophobicContact CD1-CG1 4.39Å; L269-I326 HydrophobicContact CD2-CD1 3.19Å; L269-I326 HydrophobicContact CD2-CG1 4.21Å; L269-I326 HydrophobicContact CG-CD1 3.76Å
270Q93.6Very high93.6Very high122 Ų12246.2 Ų46.257%0.5722%0.216SC*.G310 helixtrans-58-17.6178.757.6175.8-2.900114.7S268S268-Q270 PolarHBondContact O-N 3.25Å; S268-Q270 VanDerWaalsContact O-N 3.11Å
271W92.7Very high93.6Very high49 Ų4947.8 Ų47.819%0.18623%0.226CC..G310 helixtrans-91.4-12.8177.6-54.6-29.9000113.6S268 L269 I354 H357 K358S268-W271 VanDerWaalsContact CB-CE3 3.45Å; S268-W271 WeakPolarHBondContact O-CB 3.26Å; S268-W271 PolarHBondContact O-N 2.96Å; S268-W271 WeakPolarHBondContact OG-CZ3 3.34Å; L269-W271 PolarHBondContact O-N 3.32Å; W271-I354 HydrophobicContact CE3-CG1 4.42Å; W271-I354 HydrophobicContact CE3-CG2 4.37Å; W271-I354 HydrophobicContact CZ3-CG2 4.17Å; W271-H357 HydrophobicContact CB-CB 4.05Å; W271-H357 AromaticContact CD1-CD2 3.53Å; W271-H357 AromaticContact CD1-CE1 3.58Å; W271-H357 AromaticContact CD1-CG 3.62Å; W271-H357 AromaticContact CD1-ND1 3.66Å; W271-H357 AromaticContact CD1-NE2 3.5Å; W271-H357 HydrophobicContact CD2-CB 3.93Å; W271-H357 AromaticContact CD2-CD2 3.33Å; W271-H357 AromaticContact CD2-CG 3.61Å; W271-H357 AromaticContact CE2-CD2 3.13Å; W271-H357 AromaticContact CE2-CG 3.87Å; W271-H357 AromaticContact CE2-NE2 3.48Å; W271-H357 HydrophobicContact CE3-CB 4.11Å; W271-H357 AromaticContact CE3-CD2 3.96Å; W271-H357 HydrophobicContact CG-CB 3.89Å; W271-H357 AromaticContact CG-CD2 3.63Å; W271-H357 AromaticContact CG-CG 3.5Å; W271-H357 AromaticContact CG-ND1 3.92Å; W271-H357 AromaticContact CZ2-CD2 3.67Å; W271-H357 AromaticContact NE1-CD2 3.23Å; W271-H357 PolarHBondContact NE1-CD2 2.91Å; W271-H357 AromaticContact NE1-CE1 3.63Å; W271-H357 AromaticContact NE1-CG 3.84Å; W271-H357 AromaticContact NE1-NE2 3.08Å; W271-H357 PolarHBondContact NE1-NE2 3.15Å; W271-K358 HydrophobicContact CE3-CG 4.41Å; W271-K358 HydrophobicContact CH2-CD 4.14Å; W271-K358 HydrophobicContact CH2-CG 3.85Å; W271-K358 HydrophobicContact CZ3-CD 3.89Å; W271-K358 HydrophobicContact CZ3-CG 3.62Å
272L92.8Very high93.5Very high2 Ų252.3 Ų52.31%0.0125%0.245CC..SBendtrans-77.8127.4172.9-82.565.2000108.8F160 L269 F274 F275 K276 W346 A350F160-L272 HydrophobicContact CE1-CD2 3.94Å; F160-L272 HydrophobicContact CE1-CG 3.99Å; F160-L272 HydrophobicContact CZ-CD2 4.4Å; L269-L272 HydrophobicContact CD2-CD2 4.28Å; L269-L272 WeakPolarHBondContact O-CB 3.28Å; L269-L272 PolarHBondContact O-N 2.87Å; L272-F274 VanDerWaalsContact C-N 3.28Å; L272-F274 PolarHBondContact O-N 2.91Å; L272-F274 VanDerWaalsContact O-N 3.14Å; L272-F275 HydrophobicContact CB-CD2 3.79Å; L272-F275 HydrophobicContact CD2-CD2 4.07Å; L272-F275 HydrophobicContact CD2-CE2 4.14Å; L272-F275 PolarHBondContact O-N 2.85Å; L272-K276 PolarHBondContact O-N 2.89Å; L272-W346 HydrophobicContact CD2-CZ2 4.01Å; L272-A350 HydrophobicContact CD2-CB 4.06Å
273P90.4Very high93.4Very high29 Ų2952.2 Ų52.219%0.18825%0.245CC..Hα-helixtrans-54-38.5-172.4-31.137.1000115.1D161 K277D161-P273 HydrophobicContact CB-CG 3.96Å; P273-K277 WeakPolarHBondContact O-CG 3.32Å; P273-K277 PolarHBondContact O-N 3.03Å
274F92.7Very high93.4Very high70 Ų7052.2 Ų52.231%0.30725%0.245SC..Hα-helixtrans-58.3-51.7175.1176-97.1000112.3L159 L272 K277 S278 F336L159-F274 HydrophobicContact CD2-CB 4.03Å; L159-F274 HydrophobicContact CD2-CD2 3.69Å; L159-F274 HydrophobicContact CD2-CE2 4.31Å; L159-F274 HydrophobicContact CD2-CG 3.82Å; L159-F274 PolarHBondContact O-N 3.33Å; L272-F274 VanDerWaalsContact C-N 3.28Å; L272-F274 PolarHBondContact O-N 2.91Å; L272-F274 VanDerWaalsContact O-N 3.14Å; F274-K277 PolarHBondContact O-N 2.96Å; F274-K277 VanDerWaalsContact O-N 3.16Å; F274-S278 PolarHBondContact O-N 3.36Å; F274-S278 PolarHBondContact O-OG 3.4Å; F274-F336 HydrophobicContact CD1-CE1 4.03Å; F274-F336 AromaticContact CD1-CZ 3.88Å; F274-F336 HydrophobicContact CD1-CZ 3.88Å; F274-F336 AromaticContact CE1-CE1 3.86Å; F274-F336 HydrophobicContact CE1-CE1 3.86Å; F274-F336 HydrophobicContact CE1-CE2 4.13Å; F274-F336 AromaticContact CE1-CZ 3.3Å; F274-F336 HydrophobicContact CE1-CZ 3.3Å; F274-F336 HydrophobicContact CZ-CE1 4.32Å; F274-F336 AromaticContact CZ-CZ 3.82Å; F274-F336 HydrophobicContact CZ-CZ 3.82Å
275F92.3Very high93.4Very high6 Ų652.2 Ų52.23%0.02625%0.245CC..Hα-helixtrans-73.6-29.7-176.8-69.4-71000113L269 L272 K277 K279 V281 T325 F336L269-F275 HydrophobicContact CB-CG 4.43Å; L269-F275 HydrophobicContact CD2-CD1 4.36Å; L269-F275 HydrophobicContact CD2-CD2 3.43Å; L269-F275 VanDerWaalsContact CD2-CD2 3.43Å; L269-F275 HydrophobicContact CD2-CE1 4.33Å; L269-F275 HydrophobicContact CD2-CE2 3.35Å; L269-F275 HydrophobicContact CD2-CG 3.92Å; L269-F275 HydrophobicContact CD2-CZ 3.81Å; L269-F275 WeakPolarHBondContact O-CB 3.35Å; L272-F275 HydrophobicContact CB-CD2 3.79Å; L272-F275 HydrophobicContact CD2-CD2 4.07Å; L272-F275 HydrophobicContact CD2-CE2 4.14Å; L272-F275 PolarHBondContact O-N 2.85Å; F275-K277 PolarHBondContact O-N 3.23Å; F275-K279 VanDerWaalsContact O-CA 3.31Å; F275-K279 WeakPolarHBondContact O-CA 3.43Å; F275-K279 PolarHBondContact O-N 2.95Å; F275-V281 HydrophobicContact CD1-CG2 4.11Å; F275-V281 HydrophobicContact CE1-CG2 4.5Å; F275-T325 HydrophobicContact CD1-CG2 4.43Å; F275-T325 HydrophobicContact CE1-CG2 3.29Å; F275-T325 HydrophobicContact CZ-CG2 3.59Å; F275-F336 HydrophobicContact CE1-CD2 4.24Å; F275-F336 AromaticContact CE1-CE2 3.85Å; F275-F336 HydrophobicContact CE1-CE2 3.85Å; F275-F336 HydrophobicContact CE1-CZ 4.32Å; F275-F336 HydrophobicContact CE2-CD2 4.34Å; F275-F336 HydrophobicContact CE2-CG 4.43Å; F275-F336 HydrophobicContact CZ-CD1 4.33Å; F275-F336 AromaticContact CZ-CD2 3.45Å; F275-F336 HydrophobicContact CZ-CD2 3.45Å; F275-F336 VanDerWaalsContact CZ-CD2 3.45Å; F275-F336 HydrophobicContact CZ-CE1 4.31Å; F275-F336 AromaticContact CZ-CE2 3.46Å; F275-F336 HydrophobicContact CZ-CE2 3.46Å; F275-F336 VanDerWaalsContact CZ-CE2 3.46Å; F275-F336 AromaticContact CZ-CG 3.95Å; F275-F336 HydrophobicContact CZ-CG 3.95Å; F275-F336 AromaticContact CZ-CZ 3.93Å; F275-F336 HydrophobicContact CZ-CZ 3.93Å
276K88.7Confident93.4Very high153 Ų15352.7 Ų52.767%0.66525%0.247SC*.Hα-helixtrans-57.6-33.8169.8-169.9175.4-178.8178.40111.8L272L272-K276 PolarHBondContact O-N 2.89Å
277K88.7Confident93.3Very high178 Ų17852.7 Ų52.777%0.77425%0.247SC*.Hα-helixtrans-86.1-52.6179.4-67.4175.5-176.3176.80112.8P273 F274 F275P273-K277 WeakPolarHBondContact O-CG 3.32Å; P273-K277 PolarHBondContact O-N 3.03Å; F274-K277 PolarHBondContact O-N 2.96Å; F274-K277 VanDerWaalsContact O-N 3.16Å; F275-K277 PolarHBondContact O-N 3.23Å
278S88.8Confident93.2Very high49 Ų4955.7 Ų55.734%0.34326%0.264SS..Hα-helixtrans-74.7-32.9-174.666.50000112.7F274 D280F274-S278 PolarHBondContact O-N 3.36Å; F274-S278 PolarHBondContact O-OG 3.4Å; S278-D280 PolarHBondContact O-N 2.67Å; S278-D280 PolarHBondContact OG-N 2.96Å
279K83.4Confident93Very high177 Ų17759 Ų5977%0.7729%0.286SS*.  trans5113.1-166.3-59.4-174.7179.4-177.70114F275 V281F275-K279 VanDerWaalsContact O-CA 3.31Å; F275-K279 WeakPolarHBondContact O-CA 3.43Å; F275-K279 PolarHBondContact O-N 2.95Å; K279-V281 PolarHBondContact O-N 3.33Å
280D87.7Confident92.9Very high76 Ų7658.8 Ų58.841%0.40629%0.285SS..  trans-92.692.6-169.1-166.122.2000110.9S278 K282S278-D280 PolarHBondContact O-N 2.67Å; S278-D280 PolarHBondContact OG-N 2.96Å; D280-K282 VanDerWaalsContact CG-CE 3.46Å; D280-K282 WeakPolarHBondContact OD1-CD 3.12Å; D280-K282 WeakPolarHBondContact OD1-CE 3.43Å; D280-K282 IonicContact OD1-NZ 2.67Å; D280-K282 PolarHBondContact OD1-NZ 2.91Å; D280-K282 WeakPolarHBondContact OD2-CE 3.13Å; D280-K282 IonicContact OD2-NZ 3.03Å; D280-K282 PolarHBondContact OD2-NZ 3.39Å
281V95.3Very high93Very high41 Ų4153.7 Ų53.725%0.24826%0.263CS..  trans-117.1105.9176.6-174.50000108.4L269 F275 K279 F284 I303 T325L269-V281 HydrophobicContact CD1-CG1 3.89Å; L269-V281 HydrophobicContact CD1-CG2 3.79Å; F275-V281 HydrophobicContact CD1-CG2 4.11Å; F275-V281 HydrophobicContact CE1-CG2 4.5Å; K279-V281 PolarHBondContact O-N 3.33Å; V281-F284 HydrophobicContact CG1-CE1 3.67Å; V281-F284 HydrophobicContact CG1-CZ 4.15Å; V281-I303 HydrophobicContact CG1-CD1 3.76Å; V281-T325 WeakPolarHBondContact CA-OG1 3.29Å
282K95.6Very high93.2Very high96 Ų9659.1 Ų59.142%0.41728%0.283SS..  trans-80.7-34.3-175.1-57.8-55.7-168.3-1620113.1D280 G322 K323 T325D280-K282 VanDerWaalsContact CG-CE 3.46Å; D280-K282 WeakPolarHBondContact OD1-CD 3.12Å; D280-K282 WeakPolarHBondContact OD1-CE 3.43Å; D280-K282 IonicContact OD1-NZ 2.67Å; D280-K282 PolarHBondContact OD1-NZ 2.91Å; D280-K282 WeakPolarHBondContact OD2-CE 3.13Å; D280-K282 IonicContact OD2-NZ 3.03Å; D280-K282 PolarHBondContact OD2-NZ 3.39Å; K282-G322 WeakPolarHBondContact CB-O 3.41Å; K282-G322 WeakPolarHBondContact CG-O 3.44Å; K282-K323 CarbonylContact C-O 3.46Å; K282-T325 PolarHBondContact N-OG1 3.21Å
283G97.9Very high93.4Very high0 Ų059 Ų590%028%0.283CS..  trans162.8175-17700000111.7P304 K323 I324 T325G283-P304 CarbonylContact C-O 3.43Å; G283-P304 WeakPolarHBondContact CA-O 3.37Å; G283-K323 WeakPolarHBondContact CA-O 3.15Å; G283-K323 PolarHBondContact N-O 3.14Å; G283-I324 WeakPolarHBondContact O-CA 3.19Å; G283-T325 PolarHBondContact O-N 3.12Å
284F98.3Very high93.8Very high0 Ų057.7 Ų57.70%027%0.274CS..EExtended strand (participates in β ladder)trans-114.3150.8178.3-56.9-36000111.5A266 L269 V281 V294 V297 A298 L301 I303 P304 C305 Y306 I326A266-F284 HydrophobicContact CB-CD1 4.32Å; A266-F284 HydrophobicContact CB-CD2 4.08Å; A266-F284 HydrophobicContact CB-CE1 3.98Å; A266-F284 HydrophobicContact CB-CE2 3.69Å; A266-F284 HydrophobicContact CB-CG 4.38Å; A266-F284 HydrophobicContact CB-CZ 3.63Å; L269-F284 HydrophobicContact CD1-CE1 3.73Å; L269-F284 HydrophobicContact CD1-CZ 4.15Å; V281-F284 HydrophobicContact CG1-CE1 3.67Å; V281-F284 HydrophobicContact CG1-CZ 4.15Å; F284-V294 HydrophobicContact CB-CG2 3.85Å; F284-V294 HydrophobicContact CD2-CG2 3.67Å; F284-V294 HydrophobicContact CE2-CG2 4.48Å; F284-V294 HydrophobicContact CG-CG2 3.96Å; F284-V297 HydrophobicContact CE2-CG1 4.03Å; F284-A298 HydrophobicContact CD2-CB 3.87Å; F284-A298 HydrophobicContact CE2-CB 4.41Å; F284-L301 HydrophobicContact CE2-CD1 4.3Å; F284-L301 HydrophobicContact CZ-CD1 4.23Å; F284-I303 HydrophobicContact CD1-CD1 4.27Å; F284-I303 HydrophobicContact CD2-CD1 3.82Å; F284-I303 HydrophobicContact CD2-CG1 4.38Å; F284-I303 HydrophobicContact CE1-CD1 3.72Å; F284-I303 HydrophobicContact CE2-CD1 3.2Å; F284-I303 HydrophobicContact CE2-CG1 4.05Å; F284-I303 HydrophobicContact CG-CD1 4.32Å; F284-I303 HydrophobicContact CZ-CD1 3.15Å; F284-I303 HydrophobicContact CZ-CG1 4.41Å; F284-P304 PolarHBondContact N-O 2.8Å; F284-C305 CarbonylContact O-C 3.59Å; F284-C305 WeakPolarHBondContact O-CA 3.38Å; F284-Y306 PolarHBondContact O-N 3.47Å; F284-I326 CarbonylContact C-O 3.59Å; F284-I326 WeakPolarHBondContact CA-O 3.46Å; F284-I326 HydrophobicContact CD1-CB 4.14Å
285G97.7Very high94.1Very high0 Ų056.4 Ų56.40%027%0.27CS..EExtended strand (participates in β ladder)trans-120140.5173.800000111.5Y306 I326 F327 G328G285-Y306 CarbonylContact C-O 3.49Å; G285-Y306 WeakPolarHBondContact CA-O 3.26Å; G285-I326 PolarHBondContact N-O 3.18Å; G285-F327 WeakPolarHBondContact O-CA 3.46Å; G285-G328 PolarHBondContact O-N 2.87Å; G285-G328 VanDerWaalsContact O-N 3.16Å
286R97.5Very high94.3Very high9 Ų963.4 Ų63.43%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-138.9154165.964.8162.8178.476.612.5112.5L262 T290 V294 D295 Y306 E307 V308 F315 G328L262-R286 HydrophobicContact CD2-CB 4.1Å; R286-T290 HydrophobicContact CB-CG2 4.12Å; R286-V294 HydrophobicContact CB-CG1 4.01Å; R286-V294 HydrophobicContact CG-CG1 4.09Å; R286-D295 WeakPolarHBondContact CD-OD2 3.33Å; R286-D295 IonicContact CZ-OD1 3.89Å; R286-D295 IonicContact CZ-OD2 3.38Å; R286-D295 VanDerWaalsContact NE-CG 3.34Å; R286-D295 IonicContact NE-OD1 3.46Å; R286-D295 PolarHBondContact NE-OD1 2.88Å; R286-D295 IonicContact NE-OD2 2.65Å; R286-D295 PolarHBondContact NE-OD2 2.65Å; R286-D295 IonicContact NH2-OD1 2.7Å; R286-D295 PolarHBondContact NH2-OD1 3.33Å; R286-D295 IonicContact NH2-OD2 3.67Å; R286-Y306 PolarHBondContact N-O 2.92Å; R286-E307 IonicContact CZ-OE2 3.4Å; R286-E307 IonicContact NH1-OE2 3.43Å; R286-E307 PolarHBondContact NH1-OE2 3.38Å; R286-E307 IonicContact NH2-OE2 2.75Å; R286-E307 PolarHBondContact NH2-OE2 3.36Å; R286-E307 WeakPolarHBondContact O-CA 3.39Å; R286-V308 PolarHBondContact O-N 2.92Å; R286-F315 VanDerWaalsContact C-CZ 3.49Å; R286-G328 WeakPolarHBondContact CA-O 3.46Å
287S96Very high94.8Very high1 Ų156.1 Ų56.11%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-72158.5169.872.90000110.3C289 T290 V308 G328 E330S287-C289 PolarHBondContact O-N 3.2Å; S287-T290 WeakPolarHBondContact O-CB 3.39Å; S287-T290 PolarHBondContact O-N 3.16Å; S287-T290 PolarHBondContact OG-N 2.76Å; S287-T290 PolarHBondContact OG-OG1 3.09Å; S287-V308 CarbonylContact C-O 3.53Å; S287-V308 WeakPolarHBondContact CA-O 3.36Å; S287-G328 PolarHBondContact N-O 2.8Å; S287-G328 VanDerWaalsContact N-O 3.14Å; S287-E330 WeakPolarHBondContact CB-OE2 3.31Å; S287-E330 PolarHBondContact OG-OE2 3.45Å
288L94.5Very high95.3Very high105 Ų10547.7 Ų47.755%0.5523%0.229SC..THydrogen-bonded Turntrans-52.8-39.7174.717864.9000112.3T290 E307 V308L288-T290 VanDerWaalsContact C-N 3.34Å; L288-E307 HydrophobicContact CB-CG 4.47Å; L288-E307 HydrophobicContact CD1-CG 4.38Å; L288-E307 WeakPolarHBondContact CD1-OE1 3.27Å; L288-V308 PolarHBondContact N-O 2.89Å
289C92.6Very high95.7Very high68 Ų6849.2 Ų49.246%0.45924%0.244SC..THydrogen-bonded Turntrans-84.5-6.7-177.7-62.70000113.4S287 E330 F378S287-C289 PolarHBondContact O-N 3.2Å; C289-E330 HydrophobicContact CB-CB 4.09Å; C289-E330 HydrophobicContact CB-CG 3.7Å; C289-F378 WeakPolarHBondContact O-CE1 3.49Å
290T94.3Very high96.4Very high4 Ų443.9 Ų43.93%0.02523%0.233CC..SBendtrans-78.6138.7172-59.10000109.5L262 R286 S287 L288 D329 E330L262-T290 HydrophobicContact CD2-CG2 4.1Å; R286-T290 HydrophobicContact CB-CG2 4.12Å; S287-T290 WeakPolarHBondContact O-CB 3.39Å; S287-T290 PolarHBondContact O-N 3.16Å; S287-T290 PolarHBondContact OG-N 2.76Å; S287-T290 PolarHBondContact OG-OG1 3.09Å; L288-T290 VanDerWaalsContact C-N 3.34Å; T290-D329 VanDerWaalsContact OG1-CA 3.27Å; T290-D329 WeakPolarHBondContact OG1-CA 3.5Å; T290-E330 PolarHBondContact OG1-N 3.05Å; T290-E330 VanDerWaalsContact OG1-N 3.15Å
291S95.3Very high96.8Very high15 Ų1544.5 Ų44.511%0.10524%0.236CC..  trans-63158178.981.90000112.3S259 A293S259-S291 WeakPolarHBondContact CB-OG 3.46Å; S259-S291 PolarHBondContact OG-OG 3.14Å; S291-A293 PolarHBondContact O-N 2.98Å
292R96.2Very high96.9Very high162 Ų16245.9 Ų45.961%0.61126%0.259SS*.THydrogen-bonded Turntrans-76.618.8-177.8-61.2-173.4177.9165-1.5115.1V294 D295 R296R292-V294 VanDerWaalsContact C-N 3.29Å; R292-V294 PolarHBondContact O-N 3.42Å; R292-D295 WeakPolarHBondContact CA-OD2 3.22Å; R292-D295 HydrophobicContact CB-CB 4.26Å; R292-D295 WeakPolarHBondContact O-CB 3.3Å; R292-D295 PolarHBondContact O-N 2.82Å; R292-R296 PolarHBondContact O-N 2.96Å
293A97.9Very high96.9Very high1 Ų143.1 Ų43.11%0.00825%0.248CC..Hα-helixtrans-60.9-39.9-178.700000111.7A263 S291 D295 R296 H376A263-A293 HydrophobicContact CB-CB 3.72Å; S291-A293 PolarHBondContact O-N 2.98Å; A293-D295 VanDerWaalsContact C-N 3.33Å; A293-D295 PolarHBondContact O-N 2.79Å; A293-R296 PolarHBondContact O-N 2.78Å; A293-H376 HydrophobicContact CB-CB 4.25Å
294V98.2Very high96.9Very high0 Ų045.9 Ų45.90%027%0.266CS..Hα-helixtrans-70.9-27.517867.60000112.5L262 A263 A266 F284 R286 R292 R296 V297 A298L262-V294 HydrophobicContact CD2-CB 4.24Å; L262-V294 HydrophobicContact CD2-CG1 3.98Å; L262-V294 HydrophobicContact CG-CB 4.2Å; L262-V294 HydrophobicContact CG-CG1 4.48Å; L262-V294 HydrophobicContact CG-CG2 4.23Å; A263-V294 HydrophobicContact CB-CB 4.2Å; A266-V294 HydrophobicContact CB-CG2 3.94Å; F284-V294 HydrophobicContact CB-CG2 3.85Å; F284-V294 HydrophobicContact CD2-CG2 3.67Å; F284-V294 HydrophobicContact CE2-CG2 4.48Å; F284-V294 HydrophobicContact CG-CG2 3.96Å; R286-V294 HydrophobicContact CB-CG1 4.01Å; R286-V294 HydrophobicContact CG-CG1 4.09Å; R292-V294 VanDerWaalsContact C-N 3.29Å; R292-V294 PolarHBondContact O-N 3.42Å; V294-R296 VanDerWaalsContact C-N 3.28Å; V294-R296 PolarHBondContact O-N 3.24Å; V294-V297 WeakPolarHBondContact O-CB 3.49Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-V297 VanDerWaalsContact O-N 3.16Å; V294-A298 WeakPolarHBondContact O-CB 3.01Å; V294-A298 PolarHBondContact O-N 3.23Å
295D98.4Very high96.9Very high43 Ų4347.8 Ų47.823%0.2328%0.279CS..Hα-helixtrans-63.1-36.7176-49.7-140.6000110.8R286 R292 A293 A298 A299R286-D295 WeakPolarHBondContact CD-OD2 3.33Å; R286-D295 IonicContact CZ-OD1 3.89Å; R286-D295 IonicContact CZ-OD2 3.38Å; R286-D295 VanDerWaalsContact NE-CG 3.34Å; R286-D295 IonicContact NE-OD1 3.46Å; R286-D295 PolarHBondContact NE-OD1 2.88Å; R286-D295 IonicContact NE-OD2 2.65Å; R286-D295 PolarHBondContact NE-OD2 2.65Å; R286-D295 IonicContact NH2-OD1 2.7Å; R286-D295 PolarHBondContact NH2-OD1 3.33Å; R286-D295 IonicContact NH2-OD2 3.67Å; R292-D295 WeakPolarHBondContact CA-OD2 3.22Å; R292-D295 HydrophobicContact CB-CB 4.26Å; R292-D295 WeakPolarHBondContact O-CB 3.3Å; R292-D295 PolarHBondContact O-N 2.82Å; A293-D295 VanDerWaalsContact C-N 3.33Å; A293-D295 PolarHBondContact O-N 2.79Å; D295-A298 PolarHBondContact O-N 2.86Å; D295-A299 WeakPolarHBondContact O-CB 3.3Å; D295-A299 PolarHBondContact O-N 3.16Å
296R98.2Very high97Very high153 Ų15351.3 Ų51.358%0.57729%0.293SS*.Hα-helixtrans-64.8-40.3174.8-64.2-63.4-170168.11.8111.8R292 A293 V294 A300 Y373R292-R296 PolarHBondContact O-N 2.96Å; A293-R296 PolarHBondContact O-N 2.78Å; V294-R296 VanDerWaalsContact C-N 3.28Å; V294-R296 PolarHBondContact O-N 3.24Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 2.7Å; R296-A300 VanDerWaalsContact O-N 3.08Å; R296-Y373 HydrophobicContact CB-CD1 4Å
297V98.4Very high97Very high0 Ų055.1 Ų55.10%031%0.311CS..Hα-helixtrans-66.4-47.3175.7-178.20000110.4A263 A266 E267 F284 V294 A299 A300 L301 F369 Y373A263-V297 HydrophobicContact CB-CG2 4.18Å; A266-V297 HydrophobicContact CB-CG1 4.35Å; E267-V297 HydrophobicContact CB-CG1 3.73Å; E267-V297 HydrophobicContact CB-CG2 4.26Å; F284-V297 HydrophobicContact CE2-CG1 4.03Å; V294-V297 WeakPolarHBondContact O-CB 3.49Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-V297 VanDerWaalsContact O-N 3.16Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 3.13Å; V297-A300 PolarHBondContact O-N 3.08Å; V297-L301 HydrophobicContact CG1-CD1 3.84Å; V297-L301 HydrophobicContact CG1-CG 4.34Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 2.83Å; V297-F369 HydrophobicContact CG2-CE2 3.54Å; V297-F369 HydrophobicContact CG2-CZ 3.78Å; V297-Y373 HydrophobicContact CB-CE1 4.45Å; V297-Y373 HydrophobicContact CG2-CD1 4.15Å; V297-Y373 HydrophobicContact CG2-CD2 4.44Å; V297-Y373 HydrophobicContact CG2-CE1 4.12Å; V297-Y373 HydrophobicContact CG2-CE2 4.45Å; V297-Y373 HydrophobicContact CG2-CG 4.3Å
298A98.4Very high96.9Very high2 Ų256 Ų562%0.01732%0.316CS..Hα-helixtrans-57.4-46.2178.200000111.9F284 V294 D295 A300 L301 G302 I303 C305F284-A298 HydrophobicContact CD2-CB 3.87Å; F284-A298 HydrophobicContact CE2-CB 4.41Å; V294-A298 WeakPolarHBondContact O-CB 3.01Å; V294-A298 PolarHBondContact O-N 3.23Å; D295-A298 PolarHBondContact O-N 2.86Å; A298-A300 PolarHBondContact O-N 3.03Å; A298-L301 PolarHBondContact O-N 2.78Å; A298-G302 PolarHBondContact O-N 3.26Å; A298-I303 CarbonylContact C-O 3.34Å; A298-I303 HydrophobicContact CB-CG1 4.26Å; A298-I303 WeakPolarHBondContact CB-O 3.49Å; A298-I303 PolarHBondContact O-N 3.01Å; A298-C305 HydrophobicContact CB-CB 3.56Å
299A98.2Very high96.7Very high80 Ų8053.3 Ų53.366%0.66131%0.306SS*.Hα-helixtrans-61.6-43176.800000112.3D295 V297 L301 G302D295-A299 WeakPolarHBondContact O-CB 3.3Å; D295-A299 PolarHBondContact O-N 3.16Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 3.13Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 2.68Å; A299-G302 PolarHBondContact O-N 2.99Å
300A97.9Very high96Very high65 Ų6555.5 Ų55.554%0.53731%0.314SS..Hα-helixtrans-68-32.5178.400000113.3R296 V297 A298 Y373R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 2.7Å; R296-A300 VanDerWaalsContact O-N 3.08Å; V297-A300 PolarHBondContact O-N 3.08Å; A298-A300 PolarHBondContact O-N 3.03Å; A300-Y373 HydrophobicContact CB-CE1 3.68Å
301L95.9Very high95.3Very high89 Ų8956.4 Ų56.447%0.46632%0.318SS..Hα-helixtrans-87.2-4.3177.5-65.2-179.7000113.4F284 V297 A298 A299 I303F284-L301 HydrophobicContact CE2-CD1 4.3Å; F284-L301 HydrophobicContact CZ-CD1 4.23Å; V297-L301 HydrophobicContact CG1-CD1 3.84Å; V297-L301 HydrophobicContact CG1-CG 4.34Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 2.83Å; A298-L301 PolarHBondContact O-N 2.78Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 2.68Å; L301-I303 VanDerWaalsContact C-N 3.31Å; L301-I303 HydrophobicContact CB-CD1 4.11Å; L301-I303 HydrophobicContact CB-CG1 3.99Å; L301-I303 HydrophobicContact CD1-CD1 4.17Å; L301-I303 PolarHBondContact O-N 3.3Å
302G97.1Very high95Very high71 Ų7156.6 Ų56.673%0.73232%0.317SS*.THydrogen-bonded Turntrans66.229.4-178.500000114.1A298 A299A298-G302 PolarHBondContact O-N 3.26Å; A299-G302 PolarHBondContact O-N 2.99Å
303I96.7Very high94.7Very high37 Ų3749 Ų4919%0.1929%0.289CS..  trans-115.5151-17958.1179.5000112V281 F284 A298 L301V281-I303 HydrophobicContact CG1-CD1 3.76Å; F284-I303 HydrophobicContact CD1-CD1 4.27Å; F284-I303 HydrophobicContact CD2-CD1 3.82Å; F284-I303 HydrophobicContact CD2-CG1 4.38Å; F284-I303 HydrophobicContact CE1-CD1 3.72Å; F284-I303 HydrophobicContact CE2-CD1 3.2Å; F284-I303 HydrophobicContact CE2-CG1 4.05Å; F284-I303 HydrophobicContact CG-CD1 4.32Å; F284-I303 HydrophobicContact CZ-CD1 3.15Å; F284-I303 HydrophobicContact CZ-CG1 4.41Å; A298-I303 CarbonylContact C-O 3.34Å; A298-I303 HydrophobicContact CB-CG1 4.26Å; A298-I303 WeakPolarHBondContact CB-O 3.49Å; A298-I303 PolarHBondContact O-N 3.01Å; L301-I303 VanDerWaalsContact C-N 3.31Å; L301-I303 HydrophobicContact CB-CD1 4.11Å; L301-I303 HydrophobicContact CB-CG1 3.99Å; L301-I303 HydrophobicContact CD1-CD1 4.17Å; L301-I303 PolarHBondContact O-N 3.3Å
304P98.2Very high94.5Very high59 Ų5952.3 Ų52.338%0.38330%0.302SS..  trans-63143.4178-2334.2000113.1G283 F284 Y306G283-P304 CarbonylContact C-O 3.43Å; G283-P304 WeakPolarHBondContact CA-O 3.37Å; F284-P304 PolarHBondContact N-O 2.8Å; P304-Y306 HydrophobicContact CB-CD2 4.38Å; P304-Y306 HydrophobicContact CB-CE2 3.55Å
305C98.4Very high94.4Very high40 Ų4052.3 Ų52.327%0.2730%0.302SS..EExtended strand (participates in β ladder)trans-124127.3167.6-170.60000109.5F284 A298F284-C305 CarbonylContact O-C 3.59Å; F284-C305 WeakPolarHBondContact O-CA 3.38Å; A298-C305 HydrophobicContact CB-CB 3.56Å
306Y98.1Very high94.3Very high73 Ų7350.6 Ų50.629%0.28629%0.292SS..EExtended strand (participates in β ladder)trans-109.8132.2-177.1-59.9-86.8000110.5F284 G285 R286 P304 L318 K323 I324F284-Y306 PolarHBondContact O-N 3.47Å; G285-Y306 CarbonylContact C-O 3.49Å; G285-Y306 WeakPolarHBondContact CA-O 3.26Å; R286-Y306 PolarHBondContact N-O 2.92Å; P304-Y306 HydrophobicContact CB-CD2 4.38Å; P304-Y306 HydrophobicContact CB-CE2 3.55Å; Y306-L318 HydrophobicContact CD1-CD2 4.16Å; Y306-L318 HydrophobicContact CG-CD1 4.12Å; Y306-L318 HydrophobicContact CG-CD2 4.16Å; Y306-K323 HydrophobicContact CD2-CB 4.48Å; Y306-K323 HydrophobicContact CE1-CD 4.22Å; Y306-K323 HydrophobicContact CE2-CB 3.8Å; Y306-K323 WeakPolarHBondContact CE2-O 3.12Å; Y306-I324 HydrophobicContact CD2-CG2 3.5Å; Y306-I324 HydrophobicContact CE2-CG2 4.14Å; Y306-I324 HydrophobicContact CG-CG2 4.36Å
307E97.3Very high94.1Very high90 Ų9048 Ų4842%0.42128%0.283SS..EExtended strand (participates in β ladder)trans-95.1133.4169.7-174.3178.995.200109.2R286 L288R286-E307 IonicContact CZ-OE2 3.4Å; R286-E307 IonicContact NH1-OE2 3.43Å; R286-E307 PolarHBondContact NH1-OE2 3.38Å; R286-E307 IonicContact NH2-OE2 2.75Å; R286-E307 PolarHBondContact NH2-OE2 3.36Å; R286-E307 WeakPolarHBondContact O-CA 3.39Å; L288-E307 HydrophobicContact CB-CG 4.47Å; L288-E307 HydrophobicContact CD1-CG 4.38Å; L288-E307 WeakPolarHBondContact CD1-OE1 3.27Å
308V95.4Very high94Very high19 Ų1948.8 Ų48.812%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-126.9165.2172.7-60.60000110.1R286 S287 L288 F315 L318R286-V308 PolarHBondContact O-N 2.92Å; S287-V308 CarbonylContact C-O 3.53Å; S287-V308 WeakPolarHBondContact CA-O 3.36Å; L288-V308 PolarHBondContact N-O 2.89Å; V308-F315 HydrophobicContact CB-CE1 4.48Å; V308-F315 HydrophobicContact CG1-CD1 4.42Å; V308-F315 HydrophobicContact CG1-CE1 4.46Å; V308-F315 HydrophobicContact CG2-CD1 3.65Å; V308-F315 HydrophobicContact CG2-CD2 4.11Å; V308-F315 HydrophobicContact CG2-CE1 3.23Å; V308-F315 HydrophobicContact CG2-CE2 3.74Å; V308-F315 HydrophobicContact CG2-CG 4.07Å; V308-F315 HydrophobicContact CG2-CZ 3.3Å; V308-L318 HydrophobicContact CG1-CD1 3.6Å
309S90.2Very high93.9Very high49 Ų4949.2 Ų49.234%0.34329%0.289SS..  trans-67.1174.8169.562.20000111.5N311 Y314S309-N311 PolarHBondContact O-N 2.86Å; S309-Y314 WeakPolarHBondContact OG-CD2 3.45Å; S309-Y314 WeakPolarHBondContact OG-CE2 3.39Å
310D77.6Confident93.7Very high114 Ų11449.3 Ų49.361%0.6128%0.278SS*.SBendtrans-6411.1-177.668.1-25000115.4
311N80Confident93.7Very high23 Ų2351.4 Ų51.412%0.12328%0.277CS..  trans-111120.5-177.3-169.1-16.1000112.4S309 I313 Y314S309-N311 PolarHBondContact O-N 2.86Å; N311-I313 PolarHBondContact O-N 3.27Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.24Å; N311-I313 PolarHBondContact OD1-N 2.87Å; N311-Y314 HydrophobicContact CB-CD2 3.85Å; N311-Y314 HydrophobicContact CB-CE2 3.78Å; N311-Y314 VanDerWaalsContact O-CD2 3.27Å; N311-Y314 WeakPolarHBondContact O-CD2 3.37Å; N311-Y314 PolarHBondContact O-N 3.35Å; N311-Y314 VanDerWaalsContact O-N 3.09Å
312Q87.7Confident93.6Very high18 Ų1849.1 Ų49.18%0.08428%0.275CS..Hα-helixtrans-57.1-22.9-179.4-168.5-173.1-38.900115Y314 F315 N316 R340 E341 Y342Q312-Y314 PolarHBondContact O-N 2.8Å; Q312-F315 PolarHBondContact O-N 3.17Å; Q312-F315 VanDerWaalsContact O-N 3.16Å; Q312-N316 PolarHBondContact O-N 2.86Å; Q312-N316 VanDerWaalsContact O-N 3.14Å; Q312-N316 PolarHBondContact O-ND2 2.83Å; Q312-R340 PolarHBondContact NE2-O 3.2Å; Q312-E341 VanDerWaalsContact NE2-CA 3.32Å; Q312-E341 PolarHBondContact NE2-OE2 3.44Å; Q312-E341 PolarHBondContact OE1-OE2 2.99Å; Q312-Y342 HydrophobicContact CB-CE2 4.03Å; Q312-Y342 HydrophobicContact CG-CD2 4.33Å; Q312-Y342 HydrophobicContact CG-CE2 3.75Å; Q312-Y342 VanDerWaalsContact OE1-CD2 3.31Å
313I91.5Very high93.7Very high4 Ų449.5 Ų49.52%0.02126%0.256CS..Hα-helixtrans-55.4-34.8175.1-67.9160.2000111.2P96 A97 D98 N311 N316 R317P96-I313 HydrophobicContact CB-CG1 4.46Å; P96-I313 HydrophobicContact CG-CG1 4.04Å; A97-I313 WeakPolarHBondContact O-CD1 3.33Å; D98-I313 HydrophobicContact CB-CG2 3.86Å; N311-I313 PolarHBondContact O-N 3.27Å; N311-I313 WeakPolarHBondContact OD1-CG1 3.24Å; N311-I313 PolarHBondContact OD1-N 2.87Å; I313-N316 WeakPolarHBondContact O-CB 3.48Å; I313-N316 PolarHBondContact O-N 3.28Å; I313-R317 PolarHBondContact O-N 3.39Å; I313-R317 VanDerWaalsContact O-N 3.11Å
314Y93.9Very high93.7Very high70 Ų7047.9 Ų47.928%0.27525%0.248SC..Hα-helixtrans-73.8-33.4-179.9-59-68.2000113S309 N311 Q312 N316 R317 L318S309-Y314 WeakPolarHBondContact OG-CD2 3.45Å; S309-Y314 WeakPolarHBondContact OG-CE2 3.39Å; N311-Y314 HydrophobicContact CB-CD2 3.85Å; N311-Y314 HydrophobicContact CB-CE2 3.78Å; N311-Y314 VanDerWaalsContact O-CD2 3.27Å; N311-Y314 WeakPolarHBondContact O-CD2 3.37Å; N311-Y314 PolarHBondContact O-N 3.35Å; N311-Y314 VanDerWaalsContact O-N 3.09Å; Q312-Y314 PolarHBondContact O-N 2.8Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; Y314-R317 PolarHBondContact O-N 3.2Å; Y314-L318 PolarHBondContact O-N 3.21Å
315F95.8Very high93.6Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-62.7-39.9168.5-68.7-54.2000111.4R286 V308 Q312 R317 L318 M319 I324 F327 G328 Y342R286-F315 VanDerWaalsContact C-CZ 3.49Å; V308-F315 HydrophobicContact CB-CE1 4.48Å; V308-F315 HydrophobicContact CG1-CD1 4.42Å; V308-F315 HydrophobicContact CG1-CE1 4.46Å; V308-F315 HydrophobicContact CG2-CD1 3.65Å; V308-F315 HydrophobicContact CG2-CD2 4.11Å; V308-F315 HydrophobicContact CG2-CE1 3.23Å; V308-F315 HydrophobicContact CG2-CE2 3.74Å; V308-F315 HydrophobicContact CG2-CG 4.07Å; V308-F315 HydrophobicContact CG2-CZ 3.3Å; Q312-F315 PolarHBondContact O-N 3.17Å; Q312-F315 VanDerWaalsContact O-N 3.16Å; F315-R317 VanDerWaalsContact C-N 3.34Å; F315-R317 PolarHBondContact O-N 3.46Å; F315-L318 PolarHBondContact O-N 3.18Å; F315-M319 HydrophobicContact CB-CE 4.15Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 2.87Å; F315-I324 HydrophobicContact CB-CD1 4.13Å; F315-I324 HydrophobicContact CD1-CD1 3.85Å; F315-I324 HydrophobicContact CG-CD1 4.46Å; F315-F327 HydrophobicContact CB-CD2 3.9Å; F315-F327 HydrophobicContact CB-CE2 4.28Å; F315-F327 HydrophobicContact CB-CG 4.2Å; F315-F327 HydrophobicContact CD1-CB 3.62Å; F315-F327 HydrophobicContact CD1-CD2 4.16Å; F315-F327 HydrophobicContact CD1-CG 4.11Å; F315-F327 HydrophobicContact CD2-CB 4.47Å; F315-F327 AromaticContact CD2-CD2 3.59Å; F315-F327 HydrophobicContact CD2-CD2 3.59Å; F315-F327 HydrophobicContact CD2-CE2 4.26Å; F315-F327 HydrophobicContact CD2-CG 4.35Å; F315-F327 HydrophobicContact CE1-CB 3.75Å; F315-F327 HydrophobicContact CE2-CD2 4.09Å; F315-F327 HydrophobicContact CG-CB 4.01Å; F315-F327 AromaticContact CG-CD2 3.63Å; F315-F327 HydrophobicContact CG-CD2 3.63Å; F315-F327 HydrophobicContact CG-CE2 4.39Å; F315-F327 AromaticContact CG-CG 3.98Å; F315-F327 HydrophobicContact CG-CG 3.98Å; F315-F327 HydrophobicContact CZ-CB 4.22Å; F315-G328 WeakPolarHBondContact CZ-O 3.15Å; F315-Y342 HydrophobicContact CE2-CE1 4.46Å; F315-Y342 WeakPolarHBondContact CE2-OH 3.46Å
316N95Very high93.5Very high6 Ų643.3 Ų43.33%0.03222%0.218CC..Hα-helixtrans-61.3-40.3176.1-71.2-58.1000113P96 Q312 I313 Y314 L318 M319 D320 R340P96-N316 WeakPolarHBondContact CD-ND2 3.24Å; Q312-N316 PolarHBondContact O-N 2.86Å; Q312-N316 VanDerWaalsContact O-N 3.14Å; Q312-N316 PolarHBondContact O-ND2 2.83Å; I313-N316 WeakPolarHBondContact O-CB 3.48Å; I313-N316 PolarHBondContact O-N 3.28Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; N316-L318 PolarHBondContact O-N 3.11Å; N316-M319 PolarHBondContact O-N 2.92Å; N316-M319 WeakPolarHBondContact OD1-CE 3.3Å; N316-D320 WeakPolarHBondContact O-CB 3.42Å; N316-D320 VanDerWaalsContact O-CG 3.26Å; N316-D320 PolarHBondContact O-N 2.82Å; N316-R340 PolarHBondContact ND2-O 3.38Å; N316-R340 WeakPolarHBondContact OD1-CA 3.5Å; N316-R340 WeakPolarHBondContact OD1-CB 3.44Å; N316-R340 VanDerWaalsContact OD1-CD 3.23Å; N316-R340 WeakPolarHBondContact OD1-CD 3.35Å; N316-R340 PolarHBondContact OD1-O 2.98Å; N316-R340 VanDerWaalsContact OD1-O 3.12Å
317R94.9Very high93.5Very high98 Ų9839.8 Ų39.837%0.3720%0.204SC..Hα-helixtrans-59.8-46.3173.1-68.5179.5-177.8170.61.9112I313 Y314 F315 M319 D320 E321I313-R317 PolarHBondContact O-N 3.39Å; I313-R317 VanDerWaalsContact O-N 3.11Å; Y314-R317 PolarHBondContact O-N 3.2Å; F315-R317 VanDerWaalsContact C-N 3.34Å; F315-R317 PolarHBondContact O-N 3.46Å; R317-M319 VanDerWaalsContact C-N 3.31Å; R317-M319 PolarHBondContact O-N 2.77Å; R317-D320 PolarHBondContact O-N 3Å; R317-E321 WeakPolarHBondContact O-CB 3.41Å; R317-E321 VanDerWaalsContact O-CG 3.3Å; R317-E321 WeakPolarHBondContact O-CG 3.23Å; R317-E321 PolarHBondContact O-N 3.42Å
318L96.4Very high93.5Very high18 Ų1835.5 Ų35.59%0.09418%0.184CC..Hα-helixtrans-63.5-36.3176.4-66.8173.3000112.4Y306 V308 Y314 F315 N316 G322 K323 I324Y306-L318 HydrophobicContact CD1-CD2 4.16Å; Y306-L318 HydrophobicContact CG-CD1 4.12Å; Y306-L318 HydrophobicContact CG-CD2 4.16Å; V308-L318 HydrophobicContact CG1-CD1 3.6Å; Y314-L318 PolarHBondContact O-N 3.21Å; F315-L318 PolarHBondContact O-N 3.18Å; N316-L318 PolarHBondContact O-N 3.11Å; L318-G322 PolarHBondContact O-N 3.11Å; L318-K323 HydrophobicContact CB-CB 4.4Å; L318-K323 HydrophobicContact CD2-CB 4.23Å; L318-K323 HydrophobicContact CD2-CD 3.83Å; L318-K323 WeakPolarHBondContact O-CB 3.1Å; L318-K323 PolarHBondContact O-N 3.48Å; L318-I324 HydrophobicContact CB-CB 4.47Å; L318-I324 HydrophobicContact CB-CD1 3.65Å; L318-I324 HydrophobicContact CB-CG1 3.7Å; L318-I324 HydrophobicContact CB-CG2 4.08Å; L318-I324 HydrophobicContact CD1-CD1 4.16Å; L318-I324 HydrophobicContact CD1-CG2 4.1Å
319M96Very high93.5Very high10 Ų1034.8 Ų34.85%0.04918%0.179CC..Hα-helixtrans-68.1-40.2175.1-75-172.5-9300112.4F315 N316 R317 E321 G322 I324 F327 C337F315-M319 HydrophobicContact CB-CE 4.15Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 2.87Å; N316-M319 PolarHBondContact O-N 2.92Å; N316-M319 WeakPolarHBondContact OD1-CE 3.3Å; R317-M319 VanDerWaalsContact C-N 3.31Å; R317-M319 PolarHBondContact O-N 2.77Å; M319-E321 VanDerWaalsContact C-N 3.32Å; M319-G322 PolarHBondContact O-N 2.85Å; M319-G322 VanDerWaalsContact O-N 3.11Å; M319-I324 HydrophobicContact CG-CD1 3.93Å; M319-I324 HydrophobicContact CG-CG1 3.68Å; M319-F327 HydrophobicContact CE-CD1 4.13Å; M319-F327 HydrophobicContact CE-CE1 3.47Å; M319-F327 VanDerWaalsContact CE-CE1 3.47Å; M319-F327 HydrophobicContact CE-CE2 4.27Å; M319-F327 HydrophobicContact CE-CZ 3.54Å; M319-F327 HydrophobicContact SD-CD1 4.23Å; M319-F327 HydrophobicContact SD-CE1 3.61Å; M319-F327 HydrophobicContact SD-CZ 4.23Å; M319-C337 HydrophobicContact CG-CB 3.91Å; M319-C337 HydrophobicContact SD-CB 3.58Å; M319-C337 VanDerWaalsContact SD-CB 3.58Å
320D94.7Very high93.6Very high82 Ų8234.9 Ų34.944%0.43917%0.174SC..Hα-helixtrans-72.2-29.3178.9-68-15.9000111.5N93 N316 R317 G322 R340N93-D320 PolarHBondContact ND2-OD2 2.93Å; N316-D320 WeakPolarHBondContact O-CB 3.42Å; N316-D320 VanDerWaalsContact O-CG 3.26Å; N316-D320 PolarHBondContact O-N 2.82Å; R317-D320 PolarHBondContact O-N 3Å; D320-G322 PolarHBondContact O-N 3.36Å; D320-R340 IonicContact OD1-CZ 3.32Å; D320-R340 IonicContact OD1-NE 3.69Å; D320-R340 PolarHBondContact OD1-NE 2.88Å; D320-R340 IonicContact OD1-NH2 3.69Å; D320-R340 PolarHBondContact OD1-NH2 2.85Å
321E96.4Very high94.3Very high110 Ų11032 Ų3251%0.51416%0.158SC..THydrogen-bonded Turntrans-78.7-1.9168.8-68.7173.1-163.100113.6R317 M319 K323R317-E321 WeakPolarHBondContact O-CB 3.41Å; R317-E321 VanDerWaalsContact O-CG 3.3Å; R317-E321 WeakPolarHBondContact O-CG 3.23Å; R317-E321 PolarHBondContact O-N 3.42Å; M319-E321 VanDerWaalsContact C-N 3.32Å; E321-K323 VanDerWaalsContact C-N 3.31Å; E321-K323 HydrophobicContact CB-CD 4.12Å; E321-K323 HydrophobicContact CB-CG 4.08Å; E321-K323 PolarHBondContact O-N 3.27Å; E321-K323 WeakPolarHBondContact OE2-CD 3.39Å; E321-K323 WeakPolarHBondContact OE2-CE 3.35Å; E321-K323 IonicContact OE2-NZ 2.66Å; E321-K323 PolarHBondContact OE2-NZ 3.43Å
322G95.5Very high95Very high41 Ų4132 Ų3242%0.42316%0.158SC..THydrogen-bonded Turntrans67.925179.300000114.8K282 L318 M319 D320K282-G322 WeakPolarHBondContact CB-O 3.41Å; K282-G322 WeakPolarHBondContact CG-O 3.44Å; L318-G322 PolarHBondContact O-N 3.11Å; M319-G322 PolarHBondContact O-N 2.85Å; M319-G322 VanDerWaalsContact O-N 3.11Å; D320-G322 PolarHBondContact O-N 3.36Å
323K97.7Very high95.3Very high78 Ų7831.1 Ų31.134%0.33915%0.154SC..  trans-92.8-25.7-174.1-72-179.8175.7166.80114.8K282 G283 Y306 L318 E321K282-K323 CarbonylContact C-O 3.46Å; G283-K323 WeakPolarHBondContact CA-O 3.15Å; G283-K323 PolarHBondContact N-O 3.14Å; Y306-K323 HydrophobicContact CD2-CB 4.48Å; Y306-K323 HydrophobicContact CE1-CD 4.22Å; Y306-K323 HydrophobicContact CE2-CB 3.8Å; Y306-K323 WeakPolarHBondContact CE2-O 3.12Å; L318-K323 HydrophobicContact CB-CB 4.4Å; L318-K323 HydrophobicContact CD2-CB 4.23Å; L318-K323 HydrophobicContact CD2-CD 3.83Å; L318-K323 WeakPolarHBondContact O-CB 3.1Å; L318-K323 PolarHBondContact O-N 3.48Å; E321-K323 VanDerWaalsContact C-N 3.31Å; E321-K323 HydrophobicContact CB-CD 4.12Å; E321-K323 HydrophobicContact CB-CG 4.08Å; E321-K323 PolarHBondContact O-N 3.27Å; E321-K323 WeakPolarHBondContact OE2-CD 3.39Å; E321-K323 WeakPolarHBondContact OE2-CE 3.35Å; E321-K323 IonicContact OE2-NZ 2.66Å; E321-K323 PolarHBondContact OE2-NZ 3.43Å
324I97.4Very high95.6Very high3 Ų331 Ų312%0.01515%0.154CC..  trans-127.1148.1-178.162.8174.8000112.3G283 Y306 F315 L318 M319 F327G283-I324 WeakPolarHBondContact O-CA 3.19Å; Y306-I324 HydrophobicContact CD2-CG2 3.5Å; Y306-I324 HydrophobicContact CE2-CG2 4.14Å; Y306-I324 HydrophobicContact CG-CG2 4.36Å; F315-I324 HydrophobicContact CB-CD1 4.13Å; F315-I324 HydrophobicContact CD1-CD1 3.85Å; F315-I324 HydrophobicContact CG-CD1 4.46Å; L318-I324 HydrophobicContact CB-CB 4.47Å; L318-I324 HydrophobicContact CB-CD1 3.65Å; L318-I324 HydrophobicContact CB-CG1 3.7Å; L318-I324 HydrophobicContact CB-CG2 4.08Å; L318-I324 HydrophobicContact CD1-CD1 4.16Å; L318-I324 HydrophobicContact CD1-CG2 4.1Å; M319-I324 HydrophobicContact CG-CD1 3.93Å; M319-I324 HydrophobicContact CG-CG1 3.68Å; I324-F327 HydrophobicContact CD1-CB 4.08Å; I324-F327 HydrophobicContact CD1-CD1 4.32Å; I324-F327 HydrophobicContact CD1-CG 4.38Å
325T95.9Very high95.8Very high3 Ų327.6 Ų27.62%0.01814%0.141CC..SBendtrans-108.2-55.8176.3-65.30000109.5F275 V281 K282 G283 F336 C337F275-T325 HydrophobicContact CD1-CG2 4.43Å; F275-T325 HydrophobicContact CE1-CG2 3.29Å; F275-T325 HydrophobicContact CZ-CG2 3.59Å; V281-T325 WeakPolarHBondContact CA-OG1 3.29Å; K282-T325 PolarHBondContact N-OG1 3.21Å; G283-T325 PolarHBondContact O-N 3.12Å; T325-F336 HydrophobicContact CG2-CD2 3.82Å; T325-F336 HydrophobicContact CG2-CE2 3.77Å; T325-F336 WeakPolarHBondContact O-CA 3.48Å; T325-F336 VanDerWaalsContact O-CD2 3.26Å; T325-F336 WeakPolarHBondContact O-CD2 3.22Å; T325-C337 PolarHBondContact O-N 3.17Å
326I97.3Very high95.7Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-111.8145.8177.5-75.1-171.5000109.9L262 V265 L269 F284 G285 S335 F336 W346L262-I326 HydrophobicContact CD1-CG2 3.45Å; L262-I326 VanDerWaalsContact CD1-CG2 3.45Å; V265-I326 HydrophobicContact CG1-CD1 3.94Å; L269-I326 HydrophobicContact CD1-CD1 3.86Å; L269-I326 HydrophobicContact CD1-CG1 4.39Å; L269-I326 HydrophobicContact CD2-CD1 3.19Å; L269-I326 HydrophobicContact CD2-CG1 4.21Å; L269-I326 HydrophobicContact CG-CD1 3.76Å; F284-I326 CarbonylContact C-O 3.59Å; F284-I326 WeakPolarHBondContact CA-O 3.46Å; F284-I326 HydrophobicContact CD1-CB 4.14Å; G285-I326 PolarHBondContact N-O 3.18Å; I326-S335 WeakPolarHBondContact CA-O 3.31Å; I326-F336 HydrophobicContact CG1-CB 4.48Å; I326-W346 HydrophobicContact CD1-CH2 3.68Å; I326-W346 HydrophobicContact CD1-CZ2 4.2Å; I326-W346 HydrophobicContact CG1-CH2 4.16Å
327F97.5Very high95.6Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-146.5159.5173.660.8-78.4000112.7G285 F315 M319 I324 V334 S335 Y342G285-F327 WeakPolarHBondContact O-CA 3.46Å; F315-F327 HydrophobicContact CB-CD2 3.9Å; F315-F327 HydrophobicContact CB-CE2 4.28Å; F315-F327 HydrophobicContact CB-CG 4.2Å; F315-F327 HydrophobicContact CD1-CB 3.62Å; F315-F327 HydrophobicContact CD1-CD2 4.16Å; F315-F327 HydrophobicContact CD1-CG 4.11Å; F315-F327 HydrophobicContact CD2-CB 4.47Å; F315-F327 AromaticContact CD2-CD2 3.59Å; F315-F327 HydrophobicContact CD2-CD2 3.59Å; F315-F327 HydrophobicContact CD2-CE2 4.26Å; F315-F327 HydrophobicContact CD2-CG 4.35Å; F315-F327 HydrophobicContact CE1-CB 3.75Å; F315-F327 HydrophobicContact CE2-CD2 4.09Å; F315-F327 HydrophobicContact CG-CB 4.01Å; F315-F327 AromaticContact CG-CD2 3.63Å; F315-F327 HydrophobicContact CG-CD2 3.63Å; F315-F327 HydrophobicContact CG-CE2 4.39Å; F315-F327 AromaticContact CG-CG 3.98Å; F315-F327 HydrophobicContact CG-CG 3.98Å; F315-F327 HydrophobicContact CZ-CB 4.22Å; M319-F327 HydrophobicContact CE-CD1 4.13Å; M319-F327 HydrophobicContact CE-CE1 3.47Å; M319-F327 VanDerWaalsContact CE-CE1 3.47Å; M319-F327 HydrophobicContact CE-CE2 4.27Å; M319-F327 HydrophobicContact CE-CZ 3.54Å; M319-F327 HydrophobicContact SD-CD1 4.23Å; M319-F327 HydrophobicContact SD-CE1 3.61Å; M319-F327 HydrophobicContact SD-CZ 4.23Å; I324-F327 HydrophobicContact CD1-CB 4.08Å; I324-F327 HydrophobicContact CD1-CD1 4.32Å; I324-F327 HydrophobicContact CD1-CG 4.38Å; F327-V334 WeakPolarHBondContact O-CA 3.36Å; F327-S335 PolarHBondContact N-O 2.86Å; F327-S335 PolarHBondContact O-N 3.12Å; F327-Y342 HydrophobicContact CD2-CD1 4.07Å; F327-Y342 AromaticContact CD2-CE1 3.62Å; F327-Y342 HydrophobicContact CD2-CE1 3.62Å; F327-Y342 AromaticContact CE2-CD1 3.65Å; F327-Y342 HydrophobicContact CE2-CD1 3.65Å; F327-Y342 AromaticContact CE2-CE1 3.55Å; F327-Y342 HydrophobicContact CE2-CE1 3.55Å; F327-Y342 HydrophobicContact CE2-CG 4.41Å
328G97Very high95.6Very high0 Ų025.8 Ų25.80%014%0.139CC..EExtended strand (participates in β ladder)trans-158.9164.2172.200000114G285 R286 S287 F315 G333G285-G328 PolarHBondContact O-N 2.87Å; G285-G328 VanDerWaalsContact O-N 3.16Å; R286-G328 WeakPolarHBondContact CA-O 3.46Å; S287-G328 PolarHBondContact N-O 2.8Å; S287-G328 VanDerWaalsContact N-O 3.14Å; F315-G328 WeakPolarHBondContact CZ-O 3.15Å; G328-G333 CarbonylContact C-O 3.56Å; G328-G333 WeakPolarHBondContact CA-O 3.36Å
329D95.1Very high95.6Very high3 Ų324.9 Ų24.92%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-126.9176.5174.273.324000111.6R245 V258 T290 L331 G333 Y342R245-D329 IonicContact CZ-OD1 2.79Å; R245-D329 IonicContact CZ-OD2 3.54Å; R245-D329 VanDerWaalsContact CZ-OD2 3.3Å; R245-D329 IonicContact NH1-OD1 2.65Å; R245-D329 PolarHBondContact NH1-OD1 3.18Å; R245-D329 IonicContact NH1-OD2 2.63Å; R245-D329 PolarHBondContact NH1-OD2 3.3Å; R245-D329 IonicContact NH2-OD1 3.36Å; R245-D329 IonicContact NH2-OD2 3.52Å; R245-D329 PolarHBondContact NH2-OD2 2.93Å; V258-D329 VanDerWaalsContact CG1-O 3.3Å; V258-D329 WeakPolarHBondContact CG1-O 3.07Å; V258-D329 VanDerWaalsContact CG2-O 3.28Å; V258-D329 WeakPolarHBondContact CG2-O 3.33Å; T290-D329 VanDerWaalsContact OG1-CA 3.27Å; T290-D329 WeakPolarHBondContact OG1-CA 3.5Å; D329-L331 PolarHBondContact O-N 3.45Å; D329-L331 WeakPolarHBondContact OD1-CA 3.27Å; D329-L331 WeakPolarHBondContact OD1-CB 2.93Å; D329-L331 PolarHBondContact OD1-N 3.08Å; D329-G333 PolarHBondContact N-O 3.21Å; D329-G333 PolarHBondContact OD1-N 3.05Å; D329-Y342 HydrophobicContact CB-CE1 4.49Å; D329-Y342 WeakPolarHBondContact CB-OH 3.44Å; D329-Y342 VanDerWaalsContact CG-OH 3.3Å; D329-Y342 WeakPolarHBondContact OD2-CE2 3.39Å; D329-Y342 PolarHBondContact OD2-OH 3.48Å
330E92.2Very high95.6Very high51 Ų5125.4 Ų25.424%0.23814%0.136CC..THydrogen-bonded Turntrans-74.3-4.3-176.475-70.3169.200114.3S287 C289 T290S287-E330 WeakPolarHBondContact CB-OE2 3.31Å; S287-E330 PolarHBondContact OG-OE2 3.45Å; C289-E330 HydrophobicContact CB-CB 4.09Å; C289-E330 HydrophobicContact CB-CG 3.7Å; T290-E330 PolarHBondContact OG1-N 3.05Å; T290-E330 VanDerWaalsContact OG1-N 3.15Å
331L92.2Very high95.7Very high53 Ų5321.6 Ų21.628%0.27712%0.116SC..THydrogen-bonded Turntrans-107.139.9-173.4-59.9170.5000111.4R76 R245 D329 G333R76-L331 VanDerWaalsContact NH2-CD1 3.33Å; R245-L331 WeakPolarHBondContact CD-O 3.36Å; R245-L331 PolarHBondContact NH1-O 2.81Å; D329-L331 PolarHBondContact O-N 3.45Å; D329-L331 WeakPolarHBondContact OD1-CA 3.27Å; D329-L331 WeakPolarHBondContact OD1-CB 2.93Å; D329-L331 PolarHBondContact OD1-N 3.08Å; L331-G333 PolarHBondContact O-N 3.24Å
332N94.6Very high95.7Very high23 Ų2316.5 Ų16.512%0.1239%0.091CC..THydrogen-bonded Turntrans58.127.7179.8-63.8-33.1000114P216 R245 A246 V258P216-N332 HydrophobicContact CG-CB 4.45Å; P216-N332 PolarHBondContact O-ND2 3.41Å; R245-N332 VanDerWaalsContact CA-O 3.29Å; R245-N332 WeakPolarHBondContact CA-O 3.34Å; R245-N332 HydrophobicContact CB-CB 4.45Å; R245-N332 WeakPolarHBondContact CB-O 3.42Å; A246-N332 PolarHBondContact N-O 3.22Å; A246-N332 VanDerWaalsContact N-O 3.1Å; V258-N332 WeakPolarHBondContact CB-OD1 3.46Å
333G95.3Very high95.7Very high0 Ų014.5 Ų14.50%07%0.071CC..EExtended strand (participates in β ladder)trans-100.5118.9173.800000110.2R245 G328 D329 L331R245-G333 VanDerWaalsContact CD-CA 3.48Å; R245-G333 VanDerWaalsContact NH1-N 3.1Å; G328-G333 CarbonylContact C-O 3.56Å; G328-G333 WeakPolarHBondContact CA-O 3.36Å; D329-G333 PolarHBondContact N-O 3.21Å; D329-G333 PolarHBondContact OD1-N 3.05Å; L331-G333 PolarHBondContact O-N 3.24Å
334V97.6Very high95.6Very high1 Ų110.9 Ų10.91%0.0066%0.056CC..EExtended strand (participates in β ladder)trans-137.3139.5169.5-174.30000107.2V258 L262 F327 D343 W346 L347V258-V334 HydrophobicContact CG2-CG2 3.59Å; L262-V334 HydrophobicContact CB-CG2 4.21Å; L262-V334 HydrophobicContact CD1-CG1 3.87Å; F327-V334 WeakPolarHBondContact O-CA 3.36Å; V334-D343 PolarHBondContact O-N 3.42Å; V334-W346 HydrophobicContact CG1-CZ3 4.07Å; V334-L347 HydrophobicContact CB-CD1 3.85Å; V334-L347 HydrophobicContact CB-CD2 3.91Å; V334-L347 HydrophobicContact CB-CG 4.33Å; V334-L347 HydrophobicContact CG1-CD1 3.95Å; V334-L347 HydrophobicContact CG2-CD1 4.28Å; V334-L347 HydrophobicContact CG2-CD2 3.94Å
335S96.9Very high95.5Very high0 Ų010.8 Ų10.80%06%0.055CC..EExtended strand (participates in β ladder)trans-158.1174.1179.1-166.30000112.4I326 F327 E341I326-S335 WeakPolarHBondContact CA-O 3.31Å; F327-S335 PolarHBondContact N-O 2.86Å; F327-S335 PolarHBondContact O-N 3.12Å; S335-E341 WeakPolarHBondContact CB-O 3.49Å; S335-E341 PolarHBondContact OG-O 2.89Å
336F94.3Very high95.5Very high11 Ų1110.8 Ų10.85%0.0486%0.055CC..EExtended strand (participates in β ladder)trans-118156.5175.1162-126.3000108.9L159 F274 F275 T325 I326 H338 W346L159-F336 HydrophobicContact CD1-CD1 4.44Å; L159-F336 HydrophobicContact CD2-CE1 4.04Å; F274-F336 HydrophobicContact CD1-CE1 4.03Å; F274-F336 AromaticContact CD1-CZ 3.88Å; F274-F336 HydrophobicContact CD1-CZ 3.88Å; F274-F336 AromaticContact CE1-CE1 3.86Å; F274-F336 HydrophobicContact CE1-CE1 3.86Å; F274-F336 HydrophobicContact CE1-CE2 4.13Å; F274-F336 AromaticContact CE1-CZ 3.3Å; F274-F336 HydrophobicContact CE1-CZ 3.3Å; F274-F336 HydrophobicContact CZ-CE1 4.32Å; F274-F336 AromaticContact CZ-CZ 3.82Å; F274-F336 HydrophobicContact CZ-CZ 3.82Å; F275-F336 HydrophobicContact CE1-CD2 4.24Å; F275-F336 AromaticContact CE1-CE2 3.85Å; F275-F336 HydrophobicContact CE1-CE2 3.85Å; F275-F336 HydrophobicContact CE1-CZ 4.32Å; F275-F336 HydrophobicContact CE2-CD2 4.34Å; F275-F336 HydrophobicContact CE2-CG 4.43Å; F275-F336 HydrophobicContact CZ-CD1 4.33Å; F275-F336 AromaticContact CZ-CD2 3.45Å; F275-F336 HydrophobicContact CZ-CD2 3.45Å; F275-F336 VanDerWaalsContact CZ-CD2 3.45Å; F275-F336 HydrophobicContact CZ-CE1 4.31Å; F275-F336 AromaticContact CZ-CE2 3.46Å; F275-F336 HydrophobicContact CZ-CE2 3.46Å; F275-F336 VanDerWaalsContact CZ-CE2 3.46Å; F275-F336 AromaticContact CZ-CG 3.95Å; F275-F336 HydrophobicContact CZ-CG 3.95Å; F275-F336 AromaticContact CZ-CZ 3.93Å; F275-F336 HydrophobicContact CZ-CZ 3.93Å; T325-F336 HydrophobicContact CG2-CD2 3.82Å; T325-F336 HydrophobicContact CG2-CE2 3.77Å; T325-F336 WeakPolarHBondContact O-CA 3.48Å; T325-F336 VanDerWaalsContact O-CD2 3.26Å; T325-F336 WeakPolarHBondContact O-CD2 3.22Å; I326-F336 HydrophobicContact CG1-CB 4.48Å; F336-H338 HydrophobicContact CD1-CB 3.66Å; F336-H338 AromaticContact CD1-CG 3.81Å; F336-H338 AromaticContact CD1-ND1 3.33Å; F336-H338 VanDerWaalsContact CD1-ND1 3.33Å; F336-H338 WeakPolarHBondContact CD1-ND1 3.37Å; F336-H338 HydrophobicContact CE1-CB 3.72Å; F336-H338 AromaticContact CG-ND1 3.74Å; F336-H338 PolarHBondContact O-N 2.83Å; F336-H338 PolarHBondContact O-ND1 2.66Å; F336-W346 HydrophobicContact CB-CD2 4.19Å; F336-W346 HydrophobicContact CB-CH2 4.04Å; F336-W346 HydrophobicContact CB-CZ2 3.45Å; F336-W346 VanDerWaalsContact CB-CZ2 3.45Å; F336-W346 AromaticContact CD1-NE1 3.96Å; F336-W346 HydrophobicContact CG-CZ2 4.33Å
337C93.8Very high95.5Very high33 Ų3310.8 Ų10.822%0.2236%0.055CC..THydrogen-bonded Turntrans-69.211.3-177.269.80000115.5M319 T325 V339 R340M319-C337 HydrophobicContact CG-CB 3.91Å; M319-C337 HydrophobicContact SD-CB 3.58Å; M319-C337 VanDerWaalsContact SD-CB 3.58Å; T325-C337 PolarHBondContact O-N 3.17Å; C337-V339 CarbonylContact C-O 3.52Å; C337-V339 PolarHBondContact O-N 3.09Å; C337-R340 PolarHBondContact O-NH1 3.25Å
338H93.7Very high95.5Very high21 Ų2110.9 Ų10.910%0.0976%0.055CC..THydrogen-bonded Turntrans-60-33.8168.465.3-67.8000111.6L159 F336 D343 W346L159-H338 HydrophobicContact CD1-CB 4.05Å; F336-H338 HydrophobicContact CD1-CB 3.66Å; F336-H338 AromaticContact CD1-CG 3.81Å; F336-H338 AromaticContact CD1-ND1 3.33Å; F336-H338 VanDerWaalsContact CD1-ND1 3.33Å; F336-H338 WeakPolarHBondContact CD1-ND1 3.37Å; F336-H338 HydrophobicContact CE1-CB 3.72Å; F336-H338 AromaticContact CG-ND1 3.74Å; F336-H338 PolarHBondContact O-N 2.83Å; F336-H338 PolarHBondContact O-ND1 2.66Å; H338-D343 IonicContact CD2-OD2 3.63Å; H338-D343 IonicContact CE1-OD2 3.22Å; H338-D343 IonicContact NE2-OD2 2.67Å; H338-D343 PolarHBondContact NE2-OD2 2.82Å; H338-W346 AromaticContact CE1-CD1 3.62Å; H338-W346 AromaticContact CE1-CG 3.71Å
339V96.7Very high95.4Very high0 Ų010.9 Ų10.90%06%0.056CC..SBendtrans-123.7172.2171.7-66.50000110.3P55 L59 C337 E341 D343P55-V339 HydrophobicContact CB-CG2 4.36Å; L59-V339 HydrophobicContact CB-CG1 3.8Å; L59-V339 HydrophobicContact CD1-CG1 4.32Å; C337-V339 CarbonylContact C-O 3.52Å; C337-V339 PolarHBondContact O-N 3.09Å; V339-E341 WeakPolarHBondContact CG2-O 3.43Å; V339-D343 HydrophobicContact CG2-CB 4.36Å
340R96.2Very high95.5Very high21 Ų2110.8 Ų10.88%0.0796%0.055CC..SBendtrans-105.120.3176.7-67.6-53.2-173.9-117.96.9112.4S58 N93 G94 G95 Q312 N316 D320 C337S58-R340 PolarHBondContact OG-N 3.1Å; N93-R340 WeakPolarHBondContact O-CG 3.15Å; G94-R340 VanDerWaalsContact C-CB 3.49Å; G95-R340 VanDerWaalsContact CA-CB 3.42Å; Q312-R340 PolarHBondContact NE2-O 3.2Å; N316-R340 PolarHBondContact ND2-O 3.38Å; N316-R340 WeakPolarHBondContact OD1-CA 3.5Å; N316-R340 WeakPolarHBondContact OD1-CB 3.44Å; N316-R340 VanDerWaalsContact OD1-CD 3.23Å; N316-R340 WeakPolarHBondContact OD1-CD 3.35Å; N316-R340 PolarHBondContact OD1-O 2.98Å; N316-R340 VanDerWaalsContact OD1-O 3.12Å; D320-R340 IonicContact OD1-CZ 3.32Å; D320-R340 IonicContact OD1-NE 3.69Å; D320-R340 PolarHBondContact OD1-NE 2.88Å; D320-R340 IonicContact OD1-NH2 3.69Å; D320-R340 PolarHBondContact OD1-NH2 2.85Å; C337-R340 PolarHBondContact O-NH1 3.25Å
341E95.7Very high95.7Very high2 Ų28.4 Ų8.41%0.0094%0.044CC..SBendtrans-129.7162.6-179.3-68.3-79.2179.800110.9T54 K88 Q312 S335 V339T54-E341 HydrophobicContact CG2-CB 4.2Å; T54-E341 HydrophobicContact CG2-CG 3.67Å; K88-E341 VanDerWaalsContact NZ-CD 3.35Å; K88-E341 IonicContact NZ-OE1 3.25Å; K88-E341 PolarHBondContact NZ-OE1 3.02Å; K88-E341 IonicContact NZ-OE2 3.38Å; K88-E341 PolarHBondContact NZ-OE2 3.02Å; Q312-E341 VanDerWaalsContact NE2-CA 3.32Å; Q312-E341 PolarHBondContact NE2-OE2 3.44Å; Q312-E341 PolarHBondContact OE1-OE2 2.99Å; S335-E341 WeakPolarHBondContact CB-O 3.49Å; S335-E341 PolarHBondContact OG-O 2.89Å; V339-E341 WeakPolarHBondContact CG2-O 3.43Å
342Y96.2Very high95.8Very high2 Ų25.9 Ų5.91%0.0083%0.031CC..  trans-69.4154.4167.6-56.8-80.4000110.2T244 Q312 F315 F327 D329T244-Y342 WeakPolarHBondContact CA-O 3.46Å; T244-Y342 CarbonylContact O-C 3.36Å; T244-Y342 VanDerWaalsContact O-C 3.26Å; T244-Y342 WeakPolarHBondContact O-CB 3.43Å; Q312-Y342 HydrophobicContact CB-CE2 4.03Å; Q312-Y342 HydrophobicContact CG-CD2 4.33Å; Q312-Y342 HydrophobicContact CG-CE2 3.75Å; Q312-Y342 VanDerWaalsContact OE1-CD2 3.31Å; F315-Y342 HydrophobicContact CE2-CE1 4.46Å; F315-Y342 WeakPolarHBondContact CE2-OH 3.46Å; F327-Y342 HydrophobicContact CD2-CD1 4.07Å; F327-Y342 AromaticContact CD2-CE1 3.62Å; F327-Y342 HydrophobicContact CD2-CE1 3.62Å; F327-Y342 AromaticContact CE2-CD1 3.65Å; F327-Y342 HydrophobicContact CE2-CD1 3.65Å; F327-Y342 AromaticContact CE2-CE1 3.55Å; F327-Y342 HydrophobicContact CE2-CE1 3.55Å; F327-Y342 HydrophobicContact CE2-CG 4.41Å; D329-Y342 HydrophobicContact CB-CE1 4.49Å; D329-Y342 WeakPolarHBondContact CB-OH 3.44Å; D329-Y342 VanDerWaalsContact CG-OH 3.3Å; D329-Y342 WeakPolarHBondContact OD2-CE2 3.39Å; D329-Y342 PolarHBondContact OD2-OH 3.48Å
343D96.5Very high95.8Very high0 Ų05 Ų50%03%0.026CC..  trans-142.497.9-174.5-169.7-22000111P55 Y152 T244 V334 H338 V339 I345 W346 L347P55-D343 HydrophobicContact CB-CB 4.15Å; Y152-D343 WeakPolarHBondContact CE2-OD2 3.29Å; Y152-D343 PolarHBondContact OH-OD1 3.34Å; Y152-D343 PolarHBondContact OH-OD2 3.08Å; T244-D343 PolarHBondContact O-N 3.45Å; V334-D343 PolarHBondContact O-N 3.42Å; H338-D343 IonicContact CD2-OD2 3.63Å; H338-D343 IonicContact CE1-OD2 3.22Å; H338-D343 IonicContact NE2-OD2 2.67Å; H338-D343 PolarHBondContact NE2-OD2 2.82Å; V339-D343 HydrophobicContact CG2-CB 4.36Å; D343-I345 VanDerWaalsContact C-N 3.34Å; D343-I345 PolarHBondContact O-N 2.9Å; D343-I345 PolarHBondContact OD1-N 3.17Å; D343-W346 HydrophobicContact CB-CB 3.75Å; D343-W346 PolarHBondContact O-N 3.27Å; D343-W346 PolarHBondContact OD1-N 3.48Å; D343-L347 PolarHBondContact O-N 3.41Å; D343-L347 VanDerWaalsContact O-N 3.08Å
344G95.6Very high95.8Very high1 Ų15 Ų51%0.013%0.026CC..Hα-helixtrans-69.5-30.2-177.900000113.6F239 G243 T244 A246 L347 L348F239-G344 WeakPolarHBondContact CE1-O 3.46Å; G243-G344 PolarHBondContact O-N 2.9Å; T244-G344 PolarHBondContact O-N 3.22Å; A246-G344 WeakPolarHBondContact CB-O 3.36Å; G344-L347 PolarHBondContact O-N 3.49Å; G344-L348 PolarHBondContact O-N 2.9Å; G344-L348 VanDerWaalsContact O-N 3.13Å
345I95Very high95.6Very high2 Ų26.3 Ų6.31%0.013%0.031CC..Hα-helixtrans-71-45.8177.3-58.9158.8000108.8Y152 F190 L193 F239 D343 L347 L348 L349Y152-I345 HydrophobicContact CE1-CB 4.39Å; Y152-I345 HydrophobicContact CE1-CD1 3.61Å; Y152-I345 HydrophobicContact CE1-CG2 4.25Å; F190-I345 HydrophobicContact CD1-CD1 3.55Å; F190-I345 HydrophobicContact CD1-CG1 4.06Å; F190-I345 HydrophobicContact CE1-CD1 3.7Å; F190-I345 HydrophobicContact CE1-CG1 4.22Å; L193-I345 HydrophobicContact CD1-CD1 4.24Å; L193-I345 HydrophobicContact CD1-CG2 3.74Å; F239-I345 HydrophobicContact CE2-CG1 4.19Å; F239-I345 HydrophobicContact CZ-CG1 4.34Å; D343-I345 VanDerWaalsContact C-N 3.34Å; D343-I345 PolarHBondContact O-N 2.9Å; D343-I345 PolarHBondContact OD1-N 3.17Å; I345-L347 PolarHBondContact O-N 2.89Å; I345-L348 PolarHBondContact O-N 3.04Å; I345-L349 HydrophobicContact CG2-CD1 4.05Å; I345-L349 HydrophobicContact CG2-CG 4.37Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.09Å
346W96.6Very high95.3Very high2 Ų27.2 Ų7.21%0.0084%0.036CC..Hα-helixtrans-56.1-41.9174176.793.6000111.2M156 F160 V265 L272 I326 V334 F336 H338 D343 L348 L349 A350M156-W346 HydrophobicContact SD-CB 4.25Å; F160-W346 AromaticContact CE2-CD1 3.5Å; F160-W346 VanDerWaalsContact CE2-CD1 3.5Å; F160-W346 HydrophobicContact CE2-CG 4.21Å; F160-W346 AromaticContact CE2-NE1 3.91Å; F160-W346 AromaticContact CZ-CD1 3.56Å; F160-W346 HydrophobicContact CZ-CG 4.12Å; F160-W346 AromaticContact CZ-NE1 3.57Å; V265-W346 HydrophobicContact CG1-CH2 3.68Å; V265-W346 HydrophobicContact CG1-CZ3 4.21Å; L272-W346 HydrophobicContact CD2-CZ2 4.01Å; I326-W346 HydrophobicContact CD1-CH2 3.68Å; I326-W346 HydrophobicContact CD1-CZ2 4.2Å; I326-W346 HydrophobicContact CG1-CH2 4.16Å; V334-W346 HydrophobicContact CG1-CZ3 4.07Å; F336-W346 HydrophobicContact CB-CD2 4.19Å; F336-W346 HydrophobicContact CB-CH2 4.04Å; F336-W346 HydrophobicContact CB-CZ2 3.45Å; F336-W346 VanDerWaalsContact CB-CZ2 3.45Å; F336-W346 AromaticContact CD1-NE1 3.96Å; F336-W346 HydrophobicContact CG-CZ2 4.33Å; H338-W346 AromaticContact CE1-CD1 3.62Å; H338-W346 AromaticContact CE1-CG 3.71Å; D343-W346 HydrophobicContact CB-CB 3.75Å; D343-W346 PolarHBondContact O-N 3.27Å; D343-W346 PolarHBondContact OD1-N 3.48Å; W346-L348 PolarHBondContact O-N 3.27Å; W346-L349 PolarHBondContact O-N 3.5Å; W346-A350 HydrophobicContact CH2-CB 4.38Å; W346-A350 HydrophobicContact CZ3-CB 4.47Å; W346-A350 WeakPolarHBondContact O-CB 3.37Å; W346-A350 PolarHBondContact O-N 2.96Å
347L97.6Very high95.2Very high1 Ų111.9 Ų11.91%0.0056%0.057CC..Hα-helixtrans-60.9-44.7177.2-178.257.7000112.3A246 I248 V265 V334 D343 G344 I345 A350 W351A246-L347 HydrophobicContact CB-CD2 4.22Å; I248-L347 HydrophobicContact CG1-CD2 4.27Å; I248-L347 HydrophobicContact CG1-CG 4.38Å; V265-L347 HydrophobicContact CG2-CD1 3.96Å; V334-L347 HydrophobicContact CB-CD1 3.85Å; V334-L347 HydrophobicContact CB-CD2 3.91Å; V334-L347 HydrophobicContact CB-CG 4.33Å; V334-L347 HydrophobicContact CG1-CD1 3.95Å; V334-L347 HydrophobicContact CG2-CD1 4.28Å; V334-L347 HydrophobicContact CG2-CD2 3.94Å; D343-L347 PolarHBondContact O-N 3.41Å; D343-L347 VanDerWaalsContact O-N 3.08Å; G344-L347 PolarHBondContact O-N 3.49Å; I345-L347 PolarHBondContact O-N 2.89Å; L347-A350 WeakPolarHBondContact O-CB 3.34Å; L347-A350 PolarHBondContact O-N 3.26Å; L347-W351 PolarHBondContact O-N 2.68Å
348L95.9Very high95.2Very high1 Ų112.2 Ų12.21%0.0056%0.055CC..Hα-helixtrans-62.1-45.6175.7175.659.8000111.5I182 F196 I235 A237 F239 I248 G344 I345 W346 A350 W351 L352I182-L348 HydrophobicContact CD1-CD2 3.48Å; I182-L348 VanDerWaalsContact CD1-CD2 3.48Å; I182-L348 HydrophobicContact CG1-CD2 4.07Å; F196-L348 HydrophobicContact CE1-CD2 3.88Å; F196-L348 HydrophobicContact CE1-CG 4.46Å; F196-L348 HydrophobicContact CZ-CD2 3.89Å; I235-L348 HydrophobicContact CG2-CD1 4.13Å; A237-L348 HydrophobicContact CB-CD1 4.03Å; A237-L348 HydrophobicContact CB-CD2 3.93Å; A237-L348 HydrophobicContact CB-CG 4.42Å; F239-L348 HydrophobicContact CE1-CB 4.2Å; F239-L348 HydrophobicContact CE1-CD2 4.28Å; F239-L348 HydrophobicContact CZ-CB 4.22Å; F239-L348 HydrophobicContact CZ-CD2 3.69Å; I248-L348 HydrophobicContact CD1-CB 4.4Å; I248-L348 HydrophobicContact CD1-CD1 4.27Å; G344-L348 PolarHBondContact O-N 2.9Å; G344-L348 VanDerWaalsContact O-N 3.13Å; I345-L348 PolarHBondContact O-N 3.04Å; W346-L348 PolarHBondContact O-N 3.27Å; L348-A350 VanDerWaalsContact C-N 3.26Å; L348-A350 PolarHBondContact O-N 3.33Å; L348-W351 PolarHBondContact O-N 2.74Å; L348-L352 HydrophobicContact CD1-CG 4.39Å; L348-L352 HydrophobicContact CG-CD1 4.33Å; L348-L352 WeakPolarHBondContact O-CG 3.1Å; L348-L352 PolarHBondContact O-N 3.48Å
349L95.6Very high95.1Very high1 Ų117.2 Ų17.21%0.0058%0.077CC..Hα-helixtrans-63.2-33.1178.2-66175.9000112.1M156 F160 F162 M165 V195 F196 I345 W346 L352 S353M156-L349 HydrophobicContact CB-CD1 3.98Å; M156-L349 HydrophobicContact CG-CD1 4.05Å; M156-L349 HydrophobicContact SD-CD1 3.98Å; F160-L349 HydrophobicContact CD1-CB 3.98Å; F160-L349 HydrophobicContact CD2-CB 3.7Å; F160-L349 HydrophobicContact CD2-CD1 3.62Å; F160-L349 HydrophobicContact CD2-CG 4.28Å; F160-L349 VanDerWaalsContact CE1-C 3.48Å; F160-L349 HydrophobicContact CE1-CB 3.8Å; F160-L349 HydrophobicContact CE2-CB 3.49Å; F160-L349 VanDerWaalsContact CE2-CB 3.49Å; F160-L349 HydrophobicContact CE2-CD1 3.79Å; F160-L349 HydrophobicContact CE2-CG 4.3Å; F160-L349 HydrophobicContact CG-CB 3.93Å; F160-L349 HydrophobicContact CG-CD1 4.37Å; F160-L349 HydrophobicContact CZ-CB 3.54Å; F162-L349 HydrophobicContact CE1-CD1 4.28Å; M165-L349 HydrophobicContact CE-CB 4.12Å; M165-L349 HydrophobicContact CE-CD2 4Å; M165-L349 WeakPolarHBondContact CE-O 3.47Å; M165-L349 HydrophobicContact SD-CD2 3.73Å; V195-L349 HydrophobicContact CG1-CD2 4.12Å; F196-L349 HydrophobicContact CE1-CD2 3.96Å; F196-L349 HydrophobicContact CZ-CD2 3.85Å; F196-L349 HydrophobicContact CZ-CG 4.5Å; I345-L349 HydrophobicContact CG2-CD1 4.05Å; I345-L349 HydrophobicContact CG2-CG 4.37Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.09Å; W346-L349 PolarHBondContact O-N 3.5Å; L349-L352 HydrophobicContact CD2-CD1 4.3Å; L349-L352 PolarHBondContact O-N 2.91Å; L349-S353 PolarHBondContact O-N 3.34Å; L349-S353 PolarHBondContact O-OG 3.35Å
350A96.9Very high94.9Very high0 Ų019.5 Ų19.50%09%0.088CC..Hα-helixtrans-63.8-48.5171.800000111.3F160 V265 L272 W346 L347 L348 L352 S353 I354F160-A350 HydrophobicContact CE1-CB 4.39Å; F160-A350 HydrophobicContact CZ-CB 4.46Å; V265-A350 HydrophobicContact CG1-CB 3.91Å; V265-A350 HydrophobicContact CG2-CB 4.13Å; L272-A350 HydrophobicContact CD2-CB 4.06Å; W346-A350 HydrophobicContact CH2-CB 4.38Å; W346-A350 HydrophobicContact CZ3-CB 4.47Å; W346-A350 WeakPolarHBondContact O-CB 3.37Å; W346-A350 PolarHBondContact O-N 2.96Å; L347-A350 WeakPolarHBondContact O-CB 3.34Å; L347-A350 PolarHBondContact O-N 3.26Å; L348-A350 VanDerWaalsContact C-N 3.26Å; L348-A350 PolarHBondContact O-N 3.33Å; A350-L352 VanDerWaalsContact C-N 3.32Å; A350-L352 PolarHBondContact O-N 3.23Å; A350-S353 WeakPolarHBondContact O-CB 3.34Å; A350-S353 PolarHBondContact O-N 3.36Å; A350-S353 VanDerWaalsContact O-N 3.07Å; A350-I354 WeakPolarHBondContact O-CG1 3.42Å; A350-I354 PolarHBondContact O-N 2.94Å
351W96.4Very high94.9Very high2 Ų219.7 Ų19.71%0.00810%0.095CC..Hα-helixtrans-59.5-39.8175.1-88.6104.7000113.4I248 V256 S261 V264 L347 L348 S353 I354 Y355 V362 I366I248-W351 HydrophobicContact CG2-CD2 4.45Å; I248-W351 HydrophobicContact CG2-CG 4.28Å; V256-W351 HydrophobicContact CG1-CH2 4.43Å; V256-W351 HydrophobicContact CG1-CZ2 3.86Å; S261-W351 PolarHBondContact OG-NE1 3.26Å; V264-W351 HydrophobicContact CB-CH2 4.07Å; V264-W351 HydrophobicContact CB-CZ2 4.28Å; V264-W351 HydrophobicContact CG1-CH2 3.64Å; V264-W351 HydrophobicContact CG1-CZ2 4.19Å; V264-W351 HydrophobicContact CG1-CZ3 3.96Å; V264-W351 HydrophobicContact CG2-CH2 4.34Å; L347-W351 PolarHBondContact O-N 2.68Å; L348-W351 PolarHBondContact O-N 2.74Å; W351-S353 VanDerWaalsContact C-N 3.3Å; W351-S353 PolarHBondContact O-N 3.44Å; W351-I354 PolarHBondContact O-N 2.66Å; W351-Y355 WeakPolarHBondContact O-CB 3.41Å; W351-Y355 PolarHBondContact O-N 3.35Å; W351-V362 HydrophobicContact CE3-CG1 4.23Å; W351-V362 HydrophobicContact CE3-CG2 4.21Å; W351-V362 HydrophobicContact CH2-CG1 4.03Å; W351-V362 HydrophobicContact CZ3-CB 4.48Å; W351-V362 HydrophobicContact CZ3-CG1 3.76Å; W351-V362 HydrophobicContact CZ3-CG2 4.36Å; W351-I366 HydrophobicContact CH2-CD1 4.14Å; W351-I366 HydrophobicContact CH2-CG1 3.94Å
352L94.5Very high94.9Very high0 Ų019.7 Ų19.70%010%0.095CC..Hα-helixtrans-63.6-37.7174.4-67.7172.3000111.9M165 L168 F169 L180 F196 I235 L348 L349 A350 I354 Y355 M356M165-L352 HydrophobicContact CE-CB 4.14Å; L168-L352 HydrophobicContact CD2-CD2 4.37Å; F169-L352 HydrophobicContact CE1-CD2 4.26Å; F169-L352 HydrophobicContact CZ-CD1 3.95Å; F169-L352 HydrophobicContact CZ-CD2 4.33Å; L180-L352 HydrophobicContact CD1-CD1 3.91Å; L180-L352 HydrophobicContact CD1-CD2 3.77Å; L180-L352 HydrophobicContact CD1-CG 4.41Å; L180-L352 HydrophobicContact CD2-CD2 3.76Å; L180-L352 HydrophobicContact CG-CD2 4.4Å; F196-L352 HydrophobicContact CE1-CD1 3.96Å; I235-L352 HydrophobicContact CD1-CD2 4.06Å; L348-L352 HydrophobicContact CD1-CG 4.39Å; L348-L352 HydrophobicContact CG-CD1 4.33Å; L348-L352 WeakPolarHBondContact O-CG 3.1Å; L348-L352 PolarHBondContact O-N 3.48Å; L349-L352 HydrophobicContact CD2-CD1 4.3Å; L349-L352 PolarHBondContact O-N 2.91Å; A350-L352 VanDerWaalsContact C-N 3.32Å; A350-L352 PolarHBondContact O-N 3.23Å; L352-I354 VanDerWaalsContact C-N 3.34Å; L352-Y355 PolarHBondContact O-N 2.82Å; L352-M356 WeakPolarHBondContact O-CB 3.49Å; L352-M356 VanDerWaalsContact O-CG 3.27Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 2.86Å
353S94.5Very high95Very high4 Ų420.9 Ų20.93%0.02810%0.102CC..Hα-helixtrans-64-40.5175.3-56.30000112F160 L349 A350 W351 H357F160-S353 WeakPolarHBondContact CD1-OG 3.33Å; L349-S353 PolarHBondContact O-N 3.34Å; L349-S353 PolarHBondContact O-OG 3.35Å; A350-S353 WeakPolarHBondContact O-CB 3.34Å; A350-S353 PolarHBondContact O-N 3.36Å; A350-S353 VanDerWaalsContact O-N 3.07Å; W351-S353 VanDerWaalsContact C-N 3.3Å; W351-S353 PolarHBondContact O-N 3.44Å; S353-H357 PolarHBondContact O-N 3.22Å
354I95.2Very high95.1Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-64.5-46.8175-63.4171.8000110.5V264 V265 W271 A350 W351 L352 M356 H357 K358V264-I354 HydrophobicContact CG1-CD1 4.01Å; V265-I354 HydrophobicContact CB-CD1 4.45Å; V265-I354 HydrophobicContact CG2-CD1 3.89Å; W271-I354 HydrophobicContact CE3-CG1 4.42Å; W271-I354 HydrophobicContact CE3-CG2 4.37Å; W271-I354 HydrophobicContact CZ3-CG2 4.17Å; A350-I354 WeakPolarHBondContact O-CG1 3.42Å; A350-I354 PolarHBondContact O-N 2.94Å; W351-I354 PolarHBondContact O-N 2.66Å; L352-I354 VanDerWaalsContact C-N 3.34Å; I354-M356 PolarHBondContact O-N 2.93Å; I354-H357 PolarHBondContact O-N 3.37Å; I354-K358 HydrophobicContact CG2-CD 4.08Å; I354-K358 HydrophobicContact CG2-CG 4.41Å; I354-K358 WeakPolarHBondContact O-CB 3.46Å; I354-K358 PolarHBondContact O-N 3.37Å
355Y93.4Very high95.2Very high28 Ų2824.6 Ų24.611%0.1112%0.122CC..Hα-helixtrans-59.8-46.3177.8-173.1-78.8000111.5L168 T174 V178 E234 I235 W351 L352 H357 K359 L360L168-Y355 HydrophobicContact CD1-CD1 3.94Å; L168-Y355 HydrophobicContact CD1-CE1 3.99Å; L168-Y355 HydrophobicContact CD2-CD1 4.03Å; T174-Y355 HydrophobicContact CG2-CE1 4.21Å; V178-Y355 HydrophobicContact CG2-CD1 4.35Å; V178-Y355 HydrophobicContact CG2-CE1 3.53Å; E234-Y355 HydrophobicContact CB-CE2 4.41Å; I235-Y355 HydrophobicContact CD1-CD2 3.91Å; I235-Y355 HydrophobicContact CD1-CG 4.2Å; I235-Y355 HydrophobicContact CG1-CD2 4.45Å; W351-Y355 WeakPolarHBondContact O-CB 3.41Å; W351-Y355 PolarHBondContact O-N 3.35Å; L352-Y355 PolarHBondContact O-N 2.82Å; Y355-H357 VanDerWaalsContact C-N 3.26Å; Y355-H357 PolarHBondContact O-N 3.37Å; Y355-K359 VanDerWaalsContact O-CA 3.28Å; Y355-K359 WeakPolarHBondContact O-CA 3.43Å; Y355-K359 PolarHBondContact O-N 2.97Å; Y355-L360 VanDerWaalsContact CD2-O 3.27Å; Y355-L360 WeakPolarHBondContact CD2-O 3.49Å; Y355-L360 WeakPolarHBondContact CE2-O 3.49Å
356M91.5Very high95.3Very high20 Ų2025.2 Ų25.210%0.09913%0.125CC..Hα-helixtrans-57.5-39.4176.8-76.2-173.3-63.500112.4Q164 M165 L168 I173 L352 I354Q164-M356 VanDerWaalsContact C-SD 3.56Å; Q164-M356 HydrophobicContact CB-SD 3.86Å; M165-M356 HydrophobicContact CB-SD 4.5Å; M165-M356 HydrophobicContact CE-CE 3.98Å; M165-M356 HydrophobicContact CG-CE 3.56Å; M165-M356 HydrophobicContact CG-SD 3.92Å; L168-M356 HydrophobicContact CB-CG 4.1Å; L168-M356 HydrophobicContact CB-SD 4.27Å; L168-M356 HydrophobicContact CD1-CG 3.95Å; L168-M356 HydrophobicContact CD2-CG 3.74Å; L168-M356 HydrophobicContact CG-CG 4.12Å; I173-M356 HydrophobicContact CD1-CG 4.5Å; I173-M356 HydrophobicContact CD1-SD 4.33Å; L352-M356 WeakPolarHBondContact O-CB 3.49Å; L352-M356 VanDerWaalsContact O-CG 3.27Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 2.86Å; I354-M356 PolarHBondContact O-N 2.93Å
357H92.1Very high95.4Very high108 Ų10828.7 Ų28.750%0.514%0.144SC..Hα-helixtrans-79.5-52.2-177.7-16983.1000112.6W271 S353 I354 Y355 K359W271-H357 HydrophobicContact CB-CB 4.05Å; W271-H357 AromaticContact CD1-CD2 3.53Å; W271-H357 AromaticContact CD1-CE1 3.58Å; W271-H357 AromaticContact CD1-CG 3.62Å; W271-H357 AromaticContact CD1-ND1 3.66Å; W271-H357 AromaticContact CD1-NE2 3.5Å; W271-H357 HydrophobicContact CD2-CB 3.93Å; W271-H357 AromaticContact CD2-CD2 3.33Å; W271-H357 AromaticContact CD2-CG 3.61Å; W271-H357 AromaticContact CE2-CD2 3.13Å; W271-H357 AromaticContact CE2-CG 3.87Å; W271-H357 AromaticContact CE2-NE2 3.48Å; W271-H357 HydrophobicContact CE3-CB 4.11Å; W271-H357 AromaticContact CE3-CD2 3.96Å; W271-H357 HydrophobicContact CG-CB 3.89Å; W271-H357 AromaticContact CG-CD2 3.63Å; W271-H357 AromaticContact CG-CG 3.5Å; W271-H357 AromaticContact CG-ND1 3.92Å; W271-H357 AromaticContact CZ2-CD2 3.67Å; W271-H357 AromaticContact NE1-CD2 3.23Å; W271-H357 PolarHBondContact NE1-CD2 2.91Å; W271-H357 AromaticContact NE1-CE1 3.63Å; W271-H357 AromaticContact NE1-CG 3.84Å; W271-H357 AromaticContact NE1-NE2 3.08Å; W271-H357 PolarHBondContact NE1-NE2 3.15Å; S353-H357 PolarHBondContact O-N 3.22Å; I354-H357 PolarHBondContact O-N 3.37Å; Y355-H357 VanDerWaalsContact C-N 3.26Å; Y355-H357 PolarHBondContact O-N 3.37Å; H357-K359 VanDerWaalsContact C-N 3.32Å; H357-K359 PolarHBondContact O-N 3.02Å
358K92.8Very high95.3Very high40 Ų4032.7 Ų32.717%0.17416%0.162CC..Hα-helixtrans-69.6-30.5-178.7-75.6-169.8164.9171.40112.2W271 I354 L360W271-K358 HydrophobicContact CE3-CG 4.41Å; W271-K358 HydrophobicContact CH2-CD 4.14Å; W271-K358 HydrophobicContact CH2-CG 3.85Å; W271-K358 HydrophobicContact CZ3-CD 3.89Å; W271-K358 HydrophobicContact CZ3-CG 3.62Å; I354-K358 HydrophobicContact CG2-CD 4.08Å; I354-K358 HydrophobicContact CG2-CG 4.41Å; I354-K358 WeakPolarHBondContact O-CB 3.46Å; I354-K358 PolarHBondContact O-N 3.37Å; K358-L360 HydrophobicContact CB-CB 4.12Å; K358-L360 HydrophobicContact CB-CD1 4.35Å; K358-L360 HydrophobicContact CB-CG 4.24Å; K358-L360 PolarHBondContact O-N 3.16Å
359K91.5Very high95.4Very high127 Ų12732.8 Ų32.855%0.55216%0.163SC*.  trans52.134.1-169.1-54.2-172.7-179.4-163.80112.2I173 Y355 H357I173-K359 PolarHBondContact O-NZ 3.34Å; I173-K359 VanDerWaalsContact O-NZ 3.14Å; Y355-K359 VanDerWaalsContact O-CA 3.28Å; Y355-K359 WeakPolarHBondContact O-CA 3.43Å; Y355-K359 PolarHBondContact O-N 2.97Å; H357-K359 VanDerWaalsContact C-N 3.32Å; H357-K359 PolarHBondContact O-N 3.02Å
360L93.9Very high95.6Very high47 Ų4735.7 Ų35.725%0.24617%0.174CC..  trans-117.3144.1178.6-69176.7000109.3Y355 K358 N364 Q368Y355-L360 VanDerWaalsContact CD2-O 3.27Å; Y355-L360 WeakPolarHBondContact CD2-O 3.49Å; Y355-L360 WeakPolarHBondContact CE2-O 3.49Å; K358-L360 HydrophobicContact CB-CB 4.12Å; K358-L360 HydrophobicContact CB-CD1 4.35Å; K358-L360 HydrophobicContact CB-CG 4.24Å; K358-L360 PolarHBondContact O-N 3.16Å; L360-N364 HydrophobicContact CB-CB 4.34Å; L360-Q368 VanDerWaalsContact CD1-CD 3.42Å
361A94.9Very high95.6Very high26 Ų2643.3 Ų43.322%0.21521%0.209CC..  trans-52150.2167.100000110.8Q251 T363 N364 S365Q251-A361 HydrophobicContact CG-CB 4.09Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.04Å; A361-N364 HydrophobicContact CB-CB 4.46Å; A361-N364 PolarHBondContact O-N 3.42Å; A361-N364 VanDerWaalsContact O-N 3.1Å; A361-S365 PolarHBondContact O-N 3.43Å; A361-S365 PolarHBondContact O-OG 2.92Å
362V97.5Very high95.7Very high1 Ų148 Ų481%0.00624%0.239CC..Hα-helixtrans-58.2-44.3-175.7169.70000110.6I235 A250 V256 W351 N364 S365 I366I235-V362 HydrophobicContact CD1-CG2 3.76Å; I235-V362 HydrophobicContact CG1-CG2 3.65Å; A250-V362 HydrophobicContact CB-CB 3.8Å; A250-V362 HydrophobicContact CB-CG1 3.75Å; V256-V362 HydrophobicContact CG2-CG1 3.69Å; W351-V362 HydrophobicContact CE3-CG1 4.23Å; W351-V362 HydrophobicContact CE3-CG2 4.21Å; W351-V362 HydrophobicContact CH2-CG1 4.03Å; W351-V362 HydrophobicContact CZ3-CB 4.48Å; W351-V362 HydrophobicContact CZ3-CG1 3.76Å; W351-V362 HydrophobicContact CZ3-CG2 4.36Å; V362-N364 PolarHBondContact O-N 2.66Å; V362-S365 WeakPolarHBondContact O-CB 3.37Å; V362-S365 PolarHBondContact O-N 2.84Å; V362-I366 HydrophobicContact CG1-CD1 3.84Å; V362-I366 WeakPolarHBondContact O-CG1 3.44Å; V362-I366 PolarHBondContact O-N 2.66Å
363T97.7Very high95.8Very high27 Ų2749.9 Ų49.917%0.16625%0.246CC..Hα-helixtrans-58-46.2176.3-50.80000111.8A250 Q251 D252 A361 S365 I366 L367A250-T363 WeakPolarHBondContact CB-OG1 3.25Å; Q251-T363 VanDerWaalsContact NE2-CB 3.28Å; Q251-T363 PolarHBondContact NE2-OG1 2.92Å; D252-T363 PolarHBondContact OD1-OG1 2.98Å; D252-T363 WeakPolarHBondContact OD2-CB 3.15Å; D252-T363 WeakPolarHBondContact OD2-CG2 3.34Å; D252-T363 PolarHBondContact OD2-OG1 3.42Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.04Å; T363-S365 VanDerWaalsContact C-N 3.33Å; T363-S365 PolarHBondContact O-N 3.15Å; T363-I366 WeakPolarHBondContact O-CB 3.31Å; T363-I366 PolarHBondContact O-N 3.41Å; T363-I366 VanDerWaalsContact O-N 3.14Å; T363-L367 HydrophobicContact CG2-CD1 4.31Å; T363-L367 HydrophobicContact CG2-CG 4.47Å; T363-L367 WeakPolarHBondContact O-CG 3.43Å; T363-L367 PolarHBondContact O-N 2.95Å
364N97.6Very high95.9Very high78 Ų7851.2 Ų51.242%0.41726%0.26SS..Hα-helixtrans-66.9-36.6-179.9-69.1-8.5000111.9L360 A361 V362 I366 L367 Q368L360-N364 HydrophobicContact CB-CB 4.34Å; A361-N364 HydrophobicContact CB-CB 4.46Å; A361-N364 PolarHBondContact O-N 3.42Å; A361-N364 VanDerWaalsContact O-N 3.1Å; V362-N364 PolarHBondContact O-N 2.66Å; N364-I366 VanDerWaalsContact C-N 3.27Å; N364-I366 PolarHBondContact O-N 3.26Å; N364-L367 PolarHBondContact O-N 3.05Å; N364-Q368 PolarHBondContact O-N 3.1Å
365S97.3Very high95.9Very high2 Ų259 Ų591%0.01429%0.289CS..Hα-helixtrans-61.9-37.1173.2-64.20000112A361 V362 T363 F369A361-S365 PolarHBondContact O-N 3.43Å; A361-S365 PolarHBondContact O-OG 2.92Å; V362-S365 WeakPolarHBondContact O-CB 3.37Å; V362-S365 PolarHBondContact O-N 2.84Å; T363-S365 VanDerWaalsContact C-N 3.33Å; T363-S365 PolarHBondContact O-N 3.15Å; S365-F369 WeakPolarHBondContact O-CB 3.37Å; S365-F369 PolarHBondContact O-N 3.47Å; S365-F369 VanDerWaalsContact O-N 3.13Å
366I98Very high96Very high15 Ų1559.8 Ų59.88%0.07729%0.294CS..Hα-helixtrans-71.9-41.2176-69.2165.7000111.3V256 T260 W351 V362 T363 N364 F369 W370V256-I366 HydrophobicContact CB-CD1 4.35Å; V256-I366 HydrophobicContact CG1-CD1 3.75Å; V256-I366 HydrophobicContact CG2-CD1 3.78Å; T260-I366 HydrophobicContact CG2-CD1 4.4Å; T260-I366 HydrophobicContact CG2-CG1 4.06Å; T260-I366 HydrophobicContact CG2-CG2 3.81Å; W351-I366 HydrophobicContact CH2-CD1 4.14Å; W351-I366 HydrophobicContact CH2-CG1 3.94Å; V362-I366 HydrophobicContact CG1-CD1 3.84Å; V362-I366 WeakPolarHBondContact O-CG1 3.44Å; V362-I366 PolarHBondContact O-N 2.66Å; T363-I366 WeakPolarHBondContact O-CB 3.31Å; T363-I366 PolarHBondContact O-N 3.41Å; T363-I366 VanDerWaalsContact O-N 3.14Å; N364-I366 VanDerWaalsContact C-N 3.27Å; N364-I366 PolarHBondContact O-N 3.26Å; I366-F369 WeakPolarHBondContact O-CB 3.39Å; I366-F369 PolarHBondContact O-N 2.78Å; I366-W370 HydrophobicContact CG2-CD2 3.91Å; I366-W370 HydrophobicContact CG2-CE3 4.39Å; I366-W370 HydrophobicContact CG2-CG 4.49Å; I366-W370 HydrophobicContact CG2-CH2 3.96Å; I366-W370 HydrophobicContact CG2-CZ2 3.42Å; I366-W370 VanDerWaalsContact CG2-CZ2 3.42Å; I366-W370 HydrophobicContact CG2-CZ3 4.41Å; I366-W370 PolarHBondContact O-N 3.1Å
367L97.7Very high95.8Very high75 Ų7563.1 Ų63.139%0.39332%0.315SS..Hα-helixtrans-61.1-46.8176.7-69.4174.8000111.2T363 N364 F369 W370 E371T363-L367 HydrophobicContact CG2-CD1 4.31Å; T363-L367 HydrophobicContact CG2-CG 4.47Å; T363-L367 WeakPolarHBondContact O-CG 3.43Å; T363-L367 PolarHBondContact O-N 2.95Å; N364-L367 PolarHBondContact O-N 3.05Å; L367-F369 VanDerWaalsContact C-N 3.3Å; L367-F369 PolarHBondContact O-N 3.39Å; L367-W370 HydrophobicContact CD2-CE3 3.82Å; L367-W370 HydrophobicContact CD2-CZ3 3.92Å; L367-W370 PolarHBondContact O-N 3.36Å; L367-W370 VanDerWaalsContact O-N 3.07Å; L367-E371 WeakPolarHBondContact O-CG 3.06Å; L367-E371 PolarHBondContact O-N 3.03Å
368Q97.5Very high95.5Very high84 Ų8463.6 Ų63.639%0.39332%0.316SS..Hα-helixtrans-60.2-39.3173.6-75.7-172.6-18.900112.8L360 N364 W370 E371 T372L360-Q368 VanDerWaalsContact CD1-CD 3.42Å; N364-Q368 PolarHBondContact O-N 3.1Å; Q368-W370 VanDerWaalsContact C-N 3.32Å; Q368-W370 PolarHBondContact O-N 3.07Å; Q368-E371 PolarHBondContact O-N 3.07Å; Q368-T372 PolarHBondContact O-N 3.44Å; Q368-T372 PolarHBondContact O-OG1 3.38Å
369F98Very high94.8Very high4 Ų467.3 Ų67.32%0.01835%0.346CS..Hα-helixtrans-60.8-43.2173.8173.9-88.5000111A263 V264 E267 V297 S365 I366 L367 T372 Y373A263-F369 HydrophobicContact CB-CE1 4.15Å; A263-F369 HydrophobicContact CB-CE2 4.04Å; A263-F369 HydrophobicContact CB-CZ 3.45Å; A263-F369 VanDerWaalsContact CB-CZ 3.45Å; V264-F369 HydrophobicContact CG2-CB 3.9Å; V264-F369 HydrophobicContact CG2-CD1 3.97Å; V264-F369 HydrophobicContact CG2-CD2 3.76Å; V264-F369 HydrophobicContact CG2-CE2 4.34Å; V264-F369 HydrophobicContact CG2-CG 3.58Å; E267-F369 HydrophobicContact CB-CE2 4.32Å; V297-F369 HydrophobicContact CG2-CE2 3.54Å; V297-F369 HydrophobicContact CG2-CZ 3.78Å; S365-F369 WeakPolarHBondContact O-CB 3.37Å; S365-F369 PolarHBondContact O-N 3.47Å; S365-F369 VanDerWaalsContact O-N 3.13Å; I366-F369 WeakPolarHBondContact O-CB 3.39Å; I366-F369 PolarHBondContact O-N 2.78Å; L367-F369 VanDerWaalsContact C-N 3.3Å; L367-F369 PolarHBondContact O-N 3.39Å; F369-T372 PolarHBondContact O-N 3.26Å; F369-Y373 AromaticContact CD2-CD2 3.51Å; F369-Y373 HydrophobicContact CD2-CD2 3.51Å; F369-Y373 AromaticContact CD2-CE2 3.95Å; F369-Y373 HydrophobicContact CD2-CE2 3.95Å; F369-Y373 HydrophobicContact CD2-CG 4.46Å; F369-Y373 HydrophobicContact CE1-CD2 4.46Å; F369-Y373 AromaticContact CE2-CD2 3.33Å; F369-Y373 HydrophobicContact CE2-CD2 3.33Å; F369-Y373 AromaticContact CE2-CE2 3.86Å; F369-Y373 HydrophobicContact CE2-CE2 3.86Å; F369-Y373 AromaticContact CE2-CG 3.93Å; F369-Y373 HydrophobicContact CE2-CG 3.93Å; F369-Y373 HydrophobicContact CG-CD2 4.14Å; F369-Y373 AromaticContact CZ-CD2 3.82Å; F369-Y373 HydrophobicContact CZ-CD2 3.82Å; F369-Y373 AromaticContact CZ-CG 3.99Å; F369-Y373 HydrophobicContact CZ-CG 3.99Å; F369-Y373 WeakPolarHBondContact O-CD2 3.45Å; F369-Y373 PolarHBondContact O-N 3.46Å
370W97.8Very high93.6Very high62 Ų6274.6 Ų74.624%0.23538%0.377CS..Hα-helixtrans-68.1-32.5177-66.5-17.1000113.6I366 L367 Q368 T372 G374 R375I366-W370 HydrophobicContact CG2-CD2 3.91Å; I366-W370 HydrophobicContact CG2-CE3 4.39Å; I366-W370 HydrophobicContact CG2-CG 4.49Å; I366-W370 HydrophobicContact CG2-CH2 3.96Å; I366-W370 HydrophobicContact CG2-CZ2 3.42Å; I366-W370 VanDerWaalsContact CG2-CZ2 3.42Å; I366-W370 HydrophobicContact CG2-CZ3 4.41Å; I366-W370 PolarHBondContact O-N 3.1Å; L367-W370 HydrophobicContact CD2-CE3 3.82Å; L367-W370 HydrophobicContact CD2-CZ3 3.92Å; L367-W370 PolarHBondContact O-N 3.36Å; L367-W370 VanDerWaalsContact O-N 3.07Å; Q368-W370 VanDerWaalsContact C-N 3.32Å; Q368-W370 PolarHBondContact O-N 3.07Å; W370-T372 PolarHBondContact O-N 3.12Å; W370-G374 WeakPolarHBondContact O-CA 3.49Å; W370-G374 PolarHBondContact O-N 2.8Å; W370-R375 HydrophobicContact CB-CB 4.31Å; W370-R375 HydrophobicContact CD2-CB 3.89Å; W370-R375 HydrophobicContact CD2-CG 3.78Å; W370-R375 HydrophobicContact CE3-CB 4.26Å; W370-R375 HydrophobicContact CE3-CG 4.03Å; W370-R375 HydrophobicContact CG-CB 3.9Å; W370-R375 HydrophobicContact CG-CG 4.27Å; W370-R375 HydrophobicContact CH2-CG 4.26Å; W370-R375 HydrophobicContact CZ2-CG 4Å; W370-R375 HydrophobicContact CZ3-CG 4.26Å
371E97.9Very high93.6Very high159 Ų15976 Ų7674%0.74338%0.384SS*.Hα-helixtrans-59.8-35.5172.6-72.7170.7-179.800111.6L367 Q368L367-E371 WeakPolarHBondContact O-CG 3.06Å; L367-E371 PolarHBondContact O-N 3.03Å; Q368-E371 PolarHBondContact O-N 3.07Å
372T97.6Very high93.6Very high102 Ų10278.6 Ų78.663%0.62639%0.393SS*.Hα-helixtrans-87.3-44.9-177.3-53.50000112.8Q368 F369 W370Q368-T372 PolarHBondContact O-N 3.44Å; Q368-T372 PolarHBondContact O-OG1 3.38Å; F369-T372 PolarHBondContact O-N 3.26Å; W370-T372 PolarHBondContact O-N 3.12Å
373Y97.7Very high93.3Very high39 Ų3982.9 Ų82.915%0.15341%0.414CS..Hα-helixtrans-110.2-5.4-170.1-62.4-76.9000114.4E267 R296 V297 A300 F369E267-Y373 HydrophobicContact CG-CE2 3.82Å; R296-Y373 HydrophobicContact CB-CD1 4Å; V297-Y373 HydrophobicContact CB-CE1 4.45Å; V297-Y373 HydrophobicContact CG2-CD1 4.15Å; V297-Y373 HydrophobicContact CG2-CD2 4.44Å; V297-Y373 HydrophobicContact CG2-CE1 4.12Å; V297-Y373 HydrophobicContact CG2-CE2 4.45Å; V297-Y373 HydrophobicContact CG2-CG 4.3Å; A300-Y373 HydrophobicContact CB-CE1 3.68Å; F369-Y373 AromaticContact CD2-CD2 3.51Å; F369-Y373 HydrophobicContact CD2-CD2 3.51Å; F369-Y373 AromaticContact CD2-CE2 3.95Å; F369-Y373 HydrophobicContact CD2-CE2 3.95Å; F369-Y373 HydrophobicContact CD2-CG 4.46Å; F369-Y373 HydrophobicContact CE1-CD2 4.46Å; F369-Y373 AromaticContact CE2-CD2 3.33Å; F369-Y373 HydrophobicContact CE2-CD2 3.33Å; F369-Y373 AromaticContact CE2-CE2 3.86Å; F369-Y373 HydrophobicContact CE2-CE2 3.86Å; F369-Y373 AromaticContact CE2-CG 3.93Å; F369-Y373 HydrophobicContact CE2-CG 3.93Å; F369-Y373 HydrophobicContact CG-CD2 4.14Å; F369-Y373 AromaticContact CZ-CD2 3.82Å; F369-Y373 HydrophobicContact CZ-CD2 3.82Å; F369-Y373 AromaticContact CZ-CG 3.99Å; F369-Y373 HydrophobicContact CZ-CG 3.99Å; F369-Y373 WeakPolarHBondContact O-CD2 3.45Å; F369-Y373 PolarHBondContact O-N 3.46Å
374G96.9Very high93.1Very high32 Ų3286.2 Ų86.233%0.3343%0.429SS..  trans78.8155.1-172.400000113.2W370 H376W370-G374 WeakPolarHBondContact O-CA 3.49Å; W370-G374 PolarHBondContact O-N 2.8Å; G374-H376 PolarHBondContact O-ND1 3.01Å
375R95.6Very high92.8Very high163 Ų16386.7 Ų86.762%0.61543%0.43SS*.  trans-83.6131.6174.9-175.5178-179.4-177.51.2110.6W370 V377W370-R375 HydrophobicContact CB-CB 4.31Å; W370-R375 HydrophobicContact CD2-CB 3.89Å; W370-R375 HydrophobicContact CD2-CG 3.78Å; W370-R375 HydrophobicContact CE3-CB 4.26Å; W370-R375 HydrophobicContact CE3-CG 4.03Å; W370-R375 HydrophobicContact CG-CB 3.9Å; W370-R375 HydrophobicContact CG-CG 4.27Å; W370-R375 HydrophobicContact CH2-CG 4.26Å; W370-R375 HydrophobicContact CZ2-CG 4Å; W370-R375 HydrophobicContact CZ3-CG 4.26Å; R375-V377 HydrophobicContact CG-CG1 4.08Å
376H94Very high92.5Very high45 Ų4592.3 Ų92.321%0.20846%0.457CS..  trans-107.4130.9172.1-64.268.1000109A293 G374A293-H376 HydrophobicContact CB-CB 4.25Å; G374-H376 PolarHBondContact O-ND1 3.01Å
377V88.2Confident92.1Very high89 Ų8997.9 Ų97.954%0.53948%0.484SS..  trans-124.5145.2179.8-63.90000109.9R375R375-V377 HydrophobicContact CG-CG1 4.08Å
378F84.4Confident91.7Very high119 Ų11999.6 Ų99.652%0.52249%0.491SS..  trans-82.4117.1169.7-66.5-77.3000108.5C289C289-F378 WeakPolarHBondContact O-CE1 3.49Å
379C79.9Confident91.2Very high117 Ų117100.9 Ų100.979%0.79150%0.5SS*.  trans-80.1138.6169.9-60.30000108.8
380K66.1Low90.6Very high280 Ų280109.7 Ų109.7100%1.21754%0.544SS*.  trans-80.60173-81.6-173.5177.1178.10111.5

Retrieved 380 of 380 residues in 209.1 ms (Link to these results)

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