A0A5K4ESI2_SCHMA Loading...

Putative 60s ribosomal protein L4

AlphaFold DB , UniProt , Accession A0A5K4ESI2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 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
1M89.4Confident94.6Very high155 Ų15551.7 Ų51.776%0.76427%0.266SS*.  0127.50-85.4-67.3-79.800110F5 P128 F234M1-F5 HydrophobicContact CE-CB 3.75Å; M1-F5 HydrophobicContact CE-CD1 4.17Å; M1-F5 HydrophobicContact CE-CD2 3.9Å; M1-F5 HydrophobicContact CE-CG 3.67Å; M1-P128 HydrophobicContact CE-CG 3.72Å; M1-P128 HydrophobicContact SD-CG 4.23Å; M1-F234 HydrophobicContact SD-CE1 4.27Å; M1-F234 HydrophobicContact SD-CZ 3.67Å
2P94.4Very high94.8Very high6 Ų654.9 Ų54.94%0.03928%0.284CS..  trans-60.8139.2175.9-25.935.8000112.7V4 F5 F234 L237 D238P2-V4 HydrophobicContact CB-CG1 4.36Å; P2-V4 PolarHBondContact O-N 2.8Å; P2-V4 VanDerWaalsContact O-N 3.07Å; P2-F5 HydrophobicContact CB-CD2 4.21Å; P2-F5 HydrophobicContact CB-CE2 4.47Å; P2-F5 HydrophobicContact CG-CD2 4.46Å; P2-F5 HydrophobicContact CG-CE2 4.4Å; P2-F5 PolarHBondContact O-N 3.31Å; P2-F5 VanDerWaalsContact O-N 3.09Å; P2-F234 VanDerWaalsContact CD-CZ 3.42Å; P2-F234 HydrophobicContact CG-CD1 3.97Å; P2-F234 HydrophobicContact CG-CD2 4.39Å; P2-F234 HydrophobicContact CG-CE1 3.88Å; P2-F234 HydrophobicContact CG-CE2 4.3Å; P2-F234 HydrophobicContact CG-CG 4.25Å; P2-F234 HydrophobicContact CG-CZ 4.06Å; P2-L237 HydrophobicContact CB-CB 3.85Å; P2-L237 HydrophobicContact CB-CD1 4.23Å; P2-L237 HydrophobicContact CG-CB 4.25Å; P2-L237 HydrophobicContact CG-CD1 4.19Å; P2-D238 VanDerWaalsContact CA-OD1 3.26Å; P2-D238 WeakPolarHBondContact CA-OD1 3.16Å; P2-D238 WeakPolarHBondContact CA-OD2 2.96Å; P2-D238 WeakPolarHBondContact CB-OD1 3.31Å
3A94.5Very high94.9Very high16 Ų1652.2 Ų52.213%0.13227%0.27CS..G310 helixtrans-62.8-23.5-170.500000113.5F5 T6 D238 T243 L256A3-F5 PolarHBondContact O-N 2.82Å; A3-T6 WeakPolarHBondContact O-CB 3.47Å; A3-T6 PolarHBondContact O-N 2.71Å; A3-T6 PolarHBondContact O-OG1 3.25Å; A3-D238 PolarHBondContact N-OD1 2.95Å; A3-T243 HydrophobicContact CB-CG2 4.43Å; A3-L256 HydrophobicContact CB-CD1 3.59Å
4V95.5Very high95Very high0 Ų048.4 Ų48.40%025%0.25CS..G310 helixtrans-58.8-26.5175.975.20000113.1P2 T6 T7 C102 I105 L237 Y241 L256P2-V4 HydrophobicContact CB-CG1 4.36Å; P2-V4 PolarHBondContact O-N 2.8Å; P2-V4 VanDerWaalsContact O-N 3.07Å; V4-T6 PolarHBondContact O-N 2.74Å; V4-T7 HydrophobicContact CG2-CG2 4.46Å; V4-T7 WeakPolarHBondContact O-CB 3.38Å; V4-T7 WeakPolarHBondContact O-CG2 3.5Å; V4-T7 PolarHBondContact O-N 2.86Å; V4-T7 PolarHBondContact O-OG1 3.06Å; V4-C102 HydrophobicContact CG2-CB 4Å; V4-I105 HydrophobicContact CG1-CG2 3.74Å; V4-I105 HydrophobicContact CG2-CB 4.47Å; V4-I105 HydrophobicContact CG2-CD1 4.18Å; V4-I105 HydrophobicContact CG2-CG2 4.46Å; V4-L237 HydrophobicContact CG1-CB 4.22Å; V4-L237 HydrophobicContact CG1-CD1 4.11Å; V4-L237 HydrophobicContact CG1-CD2 4.48Å; V4-Y241 HydrophobicContact CG2-CD1 4.32Å; V4-Y241 HydrophobicContact CG2-CD2 4.4Å; V4-Y241 HydrophobicContact CG2-CG 4.09Å; V4-L256 HydrophobicContact CB-CD2 4.34Å; V4-L256 HydrophobicContact CG2-CD2 4.24Å
5F95.8Very high95.2Very high28 Ų2849.5 Ų49.512%0.12326%0.257CS..G310 helixtrans-70.4-15.9174.6-73.8-83000113.4M1 P2 A3 T7 I105 P128 W229 F234 L237M1-F5 HydrophobicContact CE-CB 3.75Å; M1-F5 HydrophobicContact CE-CD1 4.17Å; M1-F5 HydrophobicContact CE-CD2 3.9Å; M1-F5 HydrophobicContact CE-CG 3.67Å; P2-F5 HydrophobicContact CB-CD2 4.21Å; P2-F5 HydrophobicContact CB-CE2 4.47Å; P2-F5 HydrophobicContact CG-CD2 4.46Å; P2-F5 HydrophobicContact CG-CE2 4.4Å; P2-F5 PolarHBondContact O-N 3.31Å; P2-F5 VanDerWaalsContact O-N 3.09Å; A3-F5 PolarHBondContact O-N 2.82Å; F5-T7 VanDerWaalsContact C-N 3.3Å; F5-I105 HydrophobicContact CE1-CG2 4.07Å; F5-I105 WeakPolarHBondContact CE1-O 3.4Å; F5-I105 HydrophobicContact CE2-CG2 4.25Å; F5-I105 HydrophobicContact CZ-CG2 3.89Å; F5-P128 HydrophobicContact CD1-CG 3.88Å; F5-P128 HydrophobicContact CE1-CB 3.98Å; F5-P128 HydrophobicContact CE1-CG 3.4Å; F5-P128 HydrophobicContact CE2-CG 4.2Å; F5-P128 HydrophobicContact CG-CG 4.46Å; F5-P128 HydrophobicContact CZ-CB 3.92Å; F5-P128 HydrophobicContact CZ-CG 3.59Å; F5-W229 HydrophobicContact CZ-CZ2 4.13Å; F5-F234 HydrophobicContact CD2-CE2 4.44Å; F5-F234 HydrophobicContact CE2-CD2 4.27Å; F5-F234 AromaticContact CE2-CE2 3.46Å; F5-F234 HydrophobicContact CE2-CE2 3.46Å; F5-F234 VanDerWaalsContact CE2-CE2 3.46Å; F5-F234 HydrophobicContact CE2-CZ 4.03Å; F5-F234 AromaticContact CZ-CE2 3.79Å; F5-F234 HydrophobicContact CZ-CE2 3.79Å; F5-L237 HydrophobicContact CE2-CD1 3.8Å; F5-L237 HydrophobicContact CZ-CD1 4.42Å
6T93.5Very high95.3Very high71 Ų7153.1 Ų53.144%0.43627%0.27SS..G310 helixtrans-88.37.3174.776.10000113.4A3 V4 R244A3-T6 WeakPolarHBondContact O-CB 3.47Å; A3-T6 PolarHBondContact O-N 2.71Å; A3-T6 PolarHBondContact O-OG1 3.25Å; V4-T6 PolarHBondContact O-N 2.74Å; T6-R244 PolarHBondContact OG1-NE 3.27Å; T6-R244 PolarHBondContact OG1-NH2 3.44Å
7T94.8Very high95.5Very high6 Ų650 Ų504%0.03725%0.254CS..SBendtrans-79.1146-176.757.70000112.5V4 F5 L9 C102 L256V4-T7 HydrophobicContact CG2-CG2 4.46Å; V4-T7 WeakPolarHBondContact O-CB 3.38Å; V4-T7 WeakPolarHBondContact O-CG2 3.5Å; V4-T7 PolarHBondContact O-N 2.86Å; V4-T7 PolarHBondContact O-OG1 3.06Å; F5-T7 VanDerWaalsContact C-N 3.3Å; T7-L9 PolarHBondContact O-N 3.48Å; T7-C102 HydrophobicContact CG2-CB 4.06Å; T7-C102 PolarHBondContact OG1-O 3.08Å; T7-L256 HydrophobicContact CG2-CB 4.22Å; T7-L256 HydrophobicContact CG2-CD1 4.45Å; T7-L256 HydrophobicContact CG2-CD2 3.86Å; T7-L256 HydrophobicContact CG2-CG 4.42Å
8P95.5Very high95.6Very high28 Ų2847.9 Ų47.918%0.18224%0.243CC..  trans-59.6136-177.3-24.634.1000113.3R10 S103 P257 A259P8-R10 PolarHBondContact O-N 2.84Å; P8-R10 VanDerWaalsContact O-N 3.12Å; P8-S103 WeakPolarHBondContact O-CB 3.35Å; P8-S103 PolarHBondContact O-OG 2.9Å; P8-P257 WeakPolarHBondContact CD-O 3.41Å; P8-A259 HydrophobicContact CG-CB 3.92Å
9L95.7Very high95.7Very high81 Ų8148.9 Ų48.942%0.42425%0.249SC..  trans-84.583.2-178.9-60.2176000110.8T7 A106 A107 V110 L113 M223T7-L9 PolarHBondContact O-N 3.48Å; L9-A106 HydrophobicContact CD2-CB 3.65Å; L9-A107 HydrophobicContact CD2-CB 4.02Å; L9-V110 HydrophobicContact CD1-CG2 4.18Å; L9-L113 HydrophobicContact CD1-CD1 3.97Å; L9-M223 HydrophobicContact CB-SD 4.39Å
10R95.8Very high95.8Very high98 Ų9848 Ų4837%0.3724%0.244SC..  trans-96.295.2179.5-79-165.967.5175.50.8113P8 D12 L13 L14 Y99P8-R10 PolarHBondContact O-N 2.84Å; P8-R10 VanDerWaalsContact O-N 3.12Å; R10-D12 WeakPolarHBondContact CB-OD1 3.47Å; R10-D12 IonicContact CZ-OD1 2.99Å; R10-D12 IonicContact CZ-OD2 3.61Å; R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 PolarHBondContact NE-OD1 3.33Å; R10-D12 IonicContact NE-OD2 3.7Å; R10-D12 PolarHBondContact NE-OD2 2.99Å; R10-D12 IonicContact NH2-OD1 2.69Å; R10-D12 IonicContact NH2-OD2 3.22Å; R10-D12 PolarHBondContact NH2-OD2 3.49Å; R10-L13 HydrophobicContact CB-CB 4.05Å; R10-L14 WeakPolarHBondContact O-CB 3.31Å; R10-L14 PolarHBondContact O-N 3.18Å; R10-L14 VanDerWaalsContact O-N 3.13Å; R10-Y99 HydrophobicContact CB-CE1 4.02Å; R10-Y99 VanDerWaalsContact CD-OH 3.32Å; R10-Y99 WeakPolarHBondContact CD-OH 3.27Å; R10-Y99 HydrophobicContact CG-CE1 4.04Å
11L95.8Very high95.8Very high80 Ų8047.5 Ų47.542%0.41924%0.241SC..Hα-helixtrans-67.3-35.1177-178.960.9000112.7L14 N15 G221 M223L11-L14 PolarHBondContact O-N 3.48Å; L11-N15 VanDerWaalsContact O-CB 3.27Å; L11-N15 WeakPolarHBondContact O-CB 3.48Å; L11-N15 VanDerWaalsContact O-CG 3.29Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 PolarHBondContact O-ND2 3.36Å; L11-G221 WeakPolarHBondContact CD1-O 3.33Å; L11-M223 HydrophobicContact CB-CE 3.9Å; L11-M223 HydrophobicContact CD1-CE 4.12Å; L11-M223 HydrophobicContact CD1-CG 4.42Å
12D96.8Very high96.2Very high90 Ų9047.6 Ų47.648%0.48123%0.233SC..Hα-helixtrans-61-53.8178.467.4-43.6000112.2R10 L14 N15 F16R10-D12 WeakPolarHBondContact CB-OD1 3.47Å; R10-D12 IonicContact CZ-OD1 2.99Å; R10-D12 IonicContact CZ-OD2 3.61Å; R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 PolarHBondContact NE-OD1 3.33Å; R10-D12 IonicContact NE-OD2 3.7Å; R10-D12 PolarHBondContact NE-OD2 2.99Å; R10-D12 IonicContact NH2-OD1 2.69Å; R10-D12 IonicContact NH2-OD2 3.22Å; R10-D12 PolarHBondContact NH2-OD2 3.49Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-L14 PolarHBondContact O-N 3.25Å; D12-N15 PolarHBondContact O-N 2.89Å; D12-F16 PolarHBondContact O-N 3.27Å
13L96.2Very high96.3Very high19 Ų1949.8 Ų49.810%0.09924%0.242CC..Hα-helixtrans-65.8-39.7178.8-178.9151.6000110.6R10 V17 Y99 A100R10-L13 HydrophobicContact CB-CB 4.05Å; L13-V17 HydrophobicContact CD2-CG2 4.37Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 3.02Å; L13-Y99 HydrophobicContact CD1-CD1 4.16Å; L13-Y99 HydrophobicContact CD1-CD2 4.17Å; L13-Y99 HydrophobicContact CD1-CG 3.99Å; L13-Y99 HydrophobicContact CD2-CD1 3.88Å; L13-Y99 HydrophobicContact CD2-CG 4.05Å; L13-A100 HydrophobicContact CD2-CB 3.72Å
14L96.8Very high96.4Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-63.4-45176.9-177.2150.6000111.7R10 L11 D12 V17 H18 A104 L214 A218 G221 M223R10-L14 WeakPolarHBondContact O-CB 3.31Å; R10-L14 PolarHBondContact O-N 3.18Å; R10-L14 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.48Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-L14 PolarHBondContact O-N 3.25Å; L14-V17 PolarHBondContact O-N 2.91Å; L14-H18 WeakPolarHBondContact O-CB 3.47Å; L14-H18 PolarHBondContact O-N 3.5Å; L14-A104 HydrophobicContact CD1-CB 3.72Å; L14-L214 HydrophobicContact CD1-CD1 4.01Å; L14-L214 HydrophobicContact CG-CD1 4.04Å; L14-A218 HydrophobicContact CD1-CB 4.03Å; L14-A218 HydrophobicContact CD2-CB 3.76Å; L14-A218 HydrophobicContact CG-CB 4.38Å; L14-G221 WeakPolarHBondContact CD2-O 3.44Å; L14-M223 HydrophobicContact CD1-CB 4.17Å; L14-M223 HydrophobicContact CD1-CE 4.05Å
15N97.2Very high96.4Very high65 Ų6556.6 Ų56.635%0.34828%0.284SS..Hα-helixtrans-61.9-46.9177.8-84-28000111.6L11 D12 H18 D19 G221L11-N15 VanDerWaalsContact O-CB 3.27Å; L11-N15 WeakPolarHBondContact O-CB 3.48Å; L11-N15 VanDerWaalsContact O-CG 3.29Å; L11-N15 PolarHBondContact O-N 2.83Å; L11-N15 PolarHBondContact O-ND2 3.36Å; D12-N15 PolarHBondContact O-N 2.89Å; N15-H18 PolarHBondContact O-N 2.99Å; N15-D19 PolarHBondContact O-N 3.49Å; N15-G221 WeakPolarHBondContact OD1-CA 3.43Å; N15-G221 PolarHBondContact OD1-O 3.31Å; N15-G221 VanDerWaalsContact OD1-O 3.04Å
16F97.4Very high96.4Very high107 Ų10759.8 Ų59.847%0.46930%0.295SS..Hα-helixtrans-56.3-53175.8176.1-99000111.5D12 H18 D19 Q20D12-F16 PolarHBondContact O-N 3.27Å; F16-H18 PolarHBondContact O-N 3.49Å; F16-D19 PolarHBondContact O-N 3.02Å; F16-Q20 HydrophobicContact CE1-CG 4.35Å; F16-Q20 HydrophobicContact CE2-CG 4.31Å; F16-Q20 HydrophobicContact CZ-CG 4.17Å; F16-Q20 WeakPolarHBondContact O-CG 3.43Å; F16-Q20 PolarHBondContact O-N 3.28Å; F16-Q20 VanDerWaalsContact O-N 3.16Å
17V97.8Very high96.5Very high0 Ų064.6 Ų64.60%031%0.312CS..Hα-helixtrans-63.5-40.5179.4173.70000111.6L13 L14 M21 I92 Q96 R97 A100 L214L13-V17 HydrophobicContact CD2-CG2 4.37Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 3.02Å; L14-V17 PolarHBondContact O-N 2.91Å; V17-M21 WeakPolarHBondContact O-CB 3.3Å; V17-M21 PolarHBondContact O-N 2.92Å; V17-I92 HydrophobicContact CG1-CD1 4.43Å; V17-I92 HydrophobicContact CG1-CG2 4.27Å; V17-I92 HydrophobicContact CG2-CG2 4.16Å; V17-Q96 HydrophobicContact CG2-CB 4.23Å; V17-R97 HydrophobicContact CG1-CB 4.36Å; V17-R97 HydrophobicContact CG1-CG 4.28Å; V17-A100 HydrophobicContact CB-CB 3.81Å; V17-A100 HydrophobicContact CG1-CB 3.86Å; V17-A100 HydrophobicContact CG2-CB 3.97Å; V17-L214 HydrophobicContact CB-CD2 3.93Å; V17-L214 HydrophobicContact CG1-CD2 3.51Å
18H98Very high96.7Very high13 Ų1367.7 Ų67.76%0.0633%0.333CS..Hα-helixtrans-61.6-45.1179.4173.9-81000111.8L14 N15 F16 M21 R22 L214 A218 G220 G221L14-H18 WeakPolarHBondContact O-CB 3.47Å; L14-H18 PolarHBondContact O-N 3.5Å; N15-H18 PolarHBondContact O-N 2.99Å; F16-H18 PolarHBondContact O-N 3.49Å; H18-M21 PolarHBondContact O-N 3.48Å; H18-R22 VanDerWaalsContact O-CB 3.24Å; H18-R22 WeakPolarHBondContact O-CB 3.38Å; H18-R22 PolarHBondContact O-N 3.32Å; H18-L214 HydrophobicContact CB-CD2 4.09Å; H18-A218 PolarHBondContact CD2-O 2.95Å; H18-A218 PolarHBondContact NE2-O 3.38Å; H18-G220 VanDerWaalsContact CE1-C 3.43Å; H18-G220 VanDerWaalsContact CE1-CA 3.5Å; H18-G220 WeakPolarHBondContact CE1-CA 3.04Å; H18-G220 PolarHBondContact NE2-N 3.04Å; H18-G221 PolarHBondContact CE1-N 3.28Å; H18-G221 PolarHBondContact NE2-N 3.49Å
19D97.1Very high96.8Very high66 Ų6672.3 Ų72.335%0.35335%0.347SS..Hα-helixtrans-65.6-47.8178173.750.7000112.4N15 F16 M21 R22 K23N15-D19 PolarHBondContact O-N 3.49Å; F16-D19 PolarHBondContact O-N 3.02Å; D19-M21 VanDerWaalsContact C-N 3.29Å; D19-M21 PolarHBondContact O-N 3.21Å; D19-R22 PolarHBondContact O-N 2.88Å; D19-K23 WeakPolarHBondContact O-CG 3.44Å; D19-K23 PolarHBondContact O-N 3.48Å; D19-K23 VanDerWaalsContact O-N 3.08Å; D19-K23 VanDerWaalsContact OD1-CE 3.29Å; D19-K23 WeakPolarHBondContact OD1-CE 3.43Å; D19-K23 IonicContact OD1-NZ 2.77Å; D19-K23 VanDerWaalsContact OD2-CE 3.24Å; D19-K23 WeakPolarHBondContact OD2-CE 3.46Å; D19-K23 IonicContact OD2-NZ 3.48Å; D19-K23 PolarHBondContact OD2-NZ 3.04Å
20Q97.4Very high96.9Very high30 Ų3070.9 Ų70.914%0.1435%0.347CS..Hα-helixtrans-61-39.4176-56-55.9-17.300111.6F16 K23 R90 I92F16-Q20 HydrophobicContact CE1-CG 4.35Å; F16-Q20 HydrophobicContact CE2-CG 4.31Å; F16-Q20 HydrophobicContact CZ-CG 4.17Å; F16-Q20 WeakPolarHBondContact O-CG 3.43Å; F16-Q20 PolarHBondContact O-N 3.28Å; F16-Q20 VanDerWaalsContact O-N 3.16Å; Q20-K23 PolarHBondContact O-N 2.95Å; Q20-R90 HydrophobicContact CB-CB 4.09Å; Q20-I92 HydrophobicContact CB-CD1 3.67Å; Q20-I92 HydrophobicContact CB-CG1 3.72Å
21M96.9Very high96.9Very high38 Ų3868.5 Ų68.519%0.18734%0.343CS..Hα-helixtrans-69.2-36.9178.5-174.2173.1176.500112.1V17 H18 D19 K23 N24 I92 N213 L214 L215V17-M21 WeakPolarHBondContact O-CB 3.3Å; V17-M21 PolarHBondContact O-N 2.92Å; H18-M21 PolarHBondContact O-N 3.48Å; D19-M21 VanDerWaalsContact C-N 3.29Å; D19-M21 PolarHBondContact O-N 3.21Å; M21-K23 VanDerWaalsContact C-N 3.33Å; M21-K23 PolarHBondContact O-N 2.97Å; M21-N24 WeakPolarHBondContact O-CB 3.45Å; M21-N24 PolarHBondContact O-N 2.99Å; M21-I92 HydrophobicContact CB-CD1 3.9Å; M21-N213 WeakPolarHBondContact CE-OD1 3.41Å; M21-L214 HydrophobicContact SD-CB 4.05Å; M21-L215 HydrophobicContact CB-CD2 4.22Å; M21-L215 HydrophobicContact CE-CD1 4.41Å; M21-L215 HydrophobicContact CE-CG 4.2Å; M21-L215 HydrophobicContact CG-CD1 4.09Å; M21-L215 HydrophobicContact CG-CD2 4.2Å; M21-L215 HydrophobicContact CG-CG 3.98Å; M21-L215 HydrophobicContact SD-CG 4.06Å
22R96.8Very high97Very high158 Ų15868.3 Ų68.360%0.59635%0.349SS*.Hα-helixtrans-65.8-34.7176.2-176.8-179178.2-166.3-0.4112H18 D19 N24 S25 L215H18-R22 VanDerWaalsContact O-CB 3.24Å; H18-R22 WeakPolarHBondContact O-CB 3.38Å; H18-R22 PolarHBondContact O-N 3.32Å; D19-R22 PolarHBondContact O-N 2.88Å; R22-N24 PolarHBondContact O-N 3.15Å; R22-S25 PolarHBondContact O-N 2.98Å; R22-S25 PolarHBondContact O-OG 3.26Å; R22-L215 HydrophobicContact CB-CD2 4.03Å
23K97.4Very high96.8Very high52 Ų5269.3 Ų69.323%0.22636%0.363CS..Hα-helixtrans-61.9-27.5176-72.9162.1178.5164.40112.6D19 Q20 M21 S25 R26 R90D19-K23 WeakPolarHBondContact O-CG 3.44Å; D19-K23 PolarHBondContact O-N 3.48Å; D19-K23 VanDerWaalsContact O-N 3.08Å; D19-K23 VanDerWaalsContact OD1-CE 3.29Å; D19-K23 WeakPolarHBondContact OD1-CE 3.43Å; D19-K23 IonicContact OD1-NZ 2.77Å; D19-K23 VanDerWaalsContact OD2-CE 3.24Å; D19-K23 WeakPolarHBondContact OD2-CE 3.46Å; D19-K23 IonicContact OD2-NZ 3.48Å; D19-K23 PolarHBondContact OD2-NZ 3.04Å; Q20-K23 PolarHBondContact O-N 2.95Å; M21-K23 VanDerWaalsContact C-N 3.33Å; M21-K23 PolarHBondContact O-N 2.97Å; K23-S25 VanDerWaalsContact C-N 3.27Å; K23-S25 PolarHBondContact O-N 3.38Å; K23-R26 WeakPolarHBondContact O-CB 3.26Å; K23-R26 WeakPolarHBondContact O-CD 3.5Å; K23-R26 VanDerWaalsContact O-CG 3.29Å; K23-R26 WeakPolarHBondContact O-CG 3.35Å; K23-R26 PolarHBondContact O-N 2.93Å; K23-R90 HydrophobicContact CB-CG 4.18Å; K23-R90 HydrophobicContact CD-CG 3.97Å
24N96.9Very high96.8Very high61 Ų6175 Ų7533%0.32639%0.387SS..THydrogen-bonded Turntrans-72.1-12.4-177.5-66.5-16000114.9M21 R22 H89 R90M21-N24 WeakPolarHBondContact O-CB 3.45Å; M21-N24 PolarHBondContact O-N 2.99Å; R22-N24 PolarHBondContact O-N 3.15Å; N24-H89 PolarHBondContact O-CE1 3.19Å; N24-H89 PolarHBondContact O-ND1 3Å; N24-H89 VanDerWaalsContact OD1-CA 3.27Å; N24-H89 WeakPolarHBondContact OD1-CA 3.44Å; N24-R90 PolarHBondContact ND2-O 2.89Å; N24-R90 PolarHBondContact OD1-N 3.03Å; N24-R90 PolarHBondContact OD1-O 3.08Å
25S94.9Very high96.8Very high97 Ų9776.7 Ų76.768%0.67840%0.401SS*.THydrogen-bonded Turntrans-95.617.3176.575.50000113.7R22 K23R22-S25 PolarHBondContact O-N 2.98Å; R22-S25 PolarHBondContact O-OG 3.26Å; K23-S25 VanDerWaalsContact C-N 3.27Å; K23-S25 PolarHBondContact O-N 3.38Å
26R96.1Very high96.7Very high95 Ų9574.4 Ų74.436%0.35839%0.392SS..PPolyproline II helixtrans-95.2136.1-177.5-63.9173.169.7176.46.5110.3K23 W88K23-R26 WeakPolarHBondContact O-CB 3.26Å; K23-R26 WeakPolarHBondContact O-CD 3.5Å; K23-R26 VanDerWaalsContact O-CG 3.29Å; K23-R26 WeakPolarHBondContact O-CG 3.35Å; K23-R26 PolarHBondContact O-N 2.93Å; R26-W88 HydrophobicContact CB-CE3 4.49Å
27Q96.2Very high96.5Very high172 Ų17273.8 Ų73.880%0.80439%0.391SS*.PPolyproline II helixtrans-81.4140.2164.9-71167-42.400109.5
28P97.3Very high96.4Very high72 Ų7281.3 Ų81.347%0.46843%0.426SS..PPolyproline II helixtrans-56.4146.7168.5-25.335.4000112.1W88P28-W88 HydrophobicContact CB-CD2 4.46Å; P28-W88 HydrophobicContact CB-CZ2 4.31Å; P28-W88 HydrophobicContact CG-CG 4.3Å
29Y97.5Very high96.1Very high124 Ų12482.8 Ų82.849%0.48644%0.436SS..  trans-134.1146.816761.8-104.1000109.9T82 R86 W88Y29-T82 HydrophobicContact CE2-CG2 4.46Å; Y29-R86 PolarHBondContact OH-NH1 3.48Å; Y29-W88 AromaticContact CD1-CH2 3.43Å; Y29-W88 HydrophobicContact CD1-CH2 3.43Å; Y29-W88 VanDerWaalsContact CD1-CH2 3.43Å; Y29-W88 HydrophobicContact CD1-CZ2 4.47Å; Y29-W88 AromaticContact CD1-CZ3 3.7Å; Y29-W88 HydrophobicContact CD1-CZ3 3.7Å; Y29-W88 HydrophobicContact CD2-CH2 4.04Å; Y29-W88 AromaticContact CE1-CH2 3.38Å; Y29-W88 HydrophobicContact CE1-CH2 3.38Å; Y29-W88 AromaticContact CE1-CZ3 3.44Å; Y29-W88 HydrophobicContact CE1-CZ3 3.44Å; Y29-W88 VanDerWaalsContact CE1-CZ3 3.44Å; Y29-W88 AromaticContact CE2-CH2 3.98Å; Y29-W88 HydrophobicContact CE2-CH2 3.98Å; Y29-W88 AromaticContact CG-CH2 3.77Å; Y29-W88 HydrophobicContact CG-CH2 3.77Å; Y29-W88 HydrophobicContact CG-CZ3 4.48Å; Y29-W88 AromaticContact CZ-CH2 3.65Å
30A97.8Very high96Very high51 Ų5183.3 Ų83.342%0.42145%0.445SS..  trans-147.4165.3-179.800000109.9T82 T84A30-T82 WeakPolarHBondContact CA-O 3.47Å; A30-T82 WeakPolarHBondContact CB-O 3.45Å; A30-T84 HydrophobicContact CB-CG2 3.68Å
31V97.1Very high96Very high48 Ų4882.1 Ų82.129%0.29144%0.44SS..  trans-95.6155.4164.663.50000108S33 A35 M78 P81 T82V31-S33 PolarHBondContact O-N 3.27Å; V31-A35 HydrophobicContact CG2-CB 3.98Å; V31-M78 HydrophobicContact CB-CE 4.15Å; V31-M78 HydrophobicContact CG1-CE 4.17Å; V31-M78 HydrophobicContact CG1-SD 4.12Å; V31-M78 HydrophobicContact CG2-CE 4.1Å; V31-P81 HydrophobicContact CG1-CB 3.74Å; V31-T82 PolarHBondContact N-O 3.13Å; V31-T82 PolarHBondContact N-OG1 2.91Å
32S96.4Very high95.9Very high77 Ų7785.2 Ų85.254%0.53845%0.454SS..  trans-57.8135.3173.81760000110.5K34 A35S32-K34 PolarHBondContact O-N 3.24Å; S32-K34 PolarHBondContact OG-N 2.88Å; S32-A35 VanDerWaalsContact O-CB 3.31Å; S32-A35 WeakPolarHBondContact O-CB 3.47Å; S32-A35 PolarHBondContact O-N 3.05Å; S32-A35 VanDerWaalsContact O-N 3.15Å
33S94.7Very high95.8Very high111 Ų11180.4 Ų80.478%0.77645%0.445SS*.THydrogen-bonded Turntrans-63.9-24.1177.249.90000113.2V31V31-S33 PolarHBondContact O-N 3.27Å
34K95.8Very high95.7Very high139 Ų13982.8 Ų82.860%0.60445%0.453SS*.THydrogen-bonded Turntrans-86.3-10.2177.4-59.9-174.3178.5-175.10113.3S32 G36 H37 Q38S32-K34 PolarHBondContact O-N 3.24Å; S32-K34 PolarHBondContact OG-N 2.88Å; K34-G36 PolarHBondContact O-N 3.24Å; K34-H37 PolarHBondContact O-N 3.38Å; K34-H37 VanDerWaalsContact O-N 3.13Å; K34-Q38 HydrophobicContact CB-CG 4.31Å
35A95.8Very high95.6Very high34 Ų3481.4 Ų81.428%0.28145%0.452SS..THydrogen-bonded Turntrans-63.7127.5-174.400000111.7V31 S32 H37 H77V31-A35 HydrophobicContact CG2-CB 3.98Å; S32-A35 VanDerWaalsContact O-CB 3.31Å; S32-A35 WeakPolarHBondContact O-CB 3.47Å; S32-A35 PolarHBondContact O-N 3.05Å; S32-A35 VanDerWaalsContact O-N 3.15Å; A35-H37 PolarHBondContact O-N 3.22Å; A35-H77 WeakPolarHBondContact O-CB 3.38Å
36G94.7Very high95.6Very high17 Ų1781.9 Ų81.918%0.17545%0.451CS..THydrogen-bonded Turntrans79.3-2.4-177.900000115.4K34 Y69K34-G36 PolarHBondContact O-N 3.24Å; G36-Y69 WeakPolarHBondContact O-CD1 3.42Å
37H94.6Very high95.6Very high95 Ų9581.5 Ų81.544%0.4448%0.477SS..THydrogen-bonded Turntrans-108.6-0.3176.9-66.7-79.5000113.8K34 A35 T39 Y69 H77K34-H37 PolarHBondContact O-N 3.38Å; K34-H37 VanDerWaalsContact O-N 3.13Å; A35-H37 PolarHBondContact O-N 3.22Å; H37-T39 PolarHBondContact O-N 3.49Å; H37-Y69 AromaticContact ND1-CD1 3.96Å; H37-H77 AromaticContact CE1-CD2 3.2Å; H37-H77 PolarHBondContact CE1-CD2 2.78Å; H37-H77 AromaticContact CE1-NE2 3.74Å; H37-H77 AromaticContact NE2-CD2 3.27Å; H37-H77 PolarHBondContact NE2-CD2 3.18Å; H37-H77 VanDerWaalsContact NE2-CD2 3.27Å; H37-H77 AromaticContact NE2-CG 3.62Å
38Q94.5Very high95.3Very high157 Ų15780.7 Ų80.773%0.73447%0.466SS*.  trans-82.146.8-179.5-67.3170-55.400112.7K34K34-Q38 HydrophobicContact CB-CG 4.31Å
39T93.1Very high95.2Very high45 Ų4582.6 Ų82.628%0.27649%0.488SS..SBendtrans-142.5149.5177.452.20000109.2H37 A41 V56 Y69H37-T39 PolarHBondContact O-N 3.49Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 2.91Å; T39-V56 HydrophobicContact CG2-CG2 4.44Å; T39-Y69 PolarHBondContact O-OH 2.84Å; T39-Y69 WeakPolarHBondContact OG1-CE1 3.47Å
40S94.9Very high95Very high77 Ų7779.3 Ų79.354%0.53848%0.481SS..  trans-95.844.9174.549.50000112R57S40-R57 WeakPolarHBondContact O-CD 3.46Å; S40-R57 WeakPolarHBondContact O-CG 3.38Å
41A95.6Very high94.9Very high5 Ų580.4 Ų80.44%0.04149%0.49CS..  trans-82146.2-171.200000112.7T39 P54 R55 V56 A68 Y69T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 2.91Å; A41-P54 HydrophobicContact CB-CB 4.21Å; A41-R55 VanDerWaalsContact CA-O 3.24Å; A41-R55 WeakPolarHBondContact CA-O 3.42Å; A41-R55 WeakPolarHBondContact CB-O 3.34Å; A41-V56 HydrophobicContact CB-CG2 4.49Å; A41-A68 HydrophobicContact CB-CB 3.38Å; A41-Y69 HydrophobicContact CB-CE2 4.03Å; A41-Y69 PolarHBondContact N-OH 2.95Å; A41-Y69 WeakPolarHBondContact O-CE2 3.44Å; A41-Y69 PolarHBondContact O-OH 2.95Å
42E94.9Very high94.8Very high102 Ų10287 Ų8748%0.47751%0.51SS..EExtended strand (participates in β ladder)trans-140.2153.5179.9-79.3175.3165.700111.9P54 R55 R57E42-P54 CarbonylContact O-C 3.58Å; E42-P54 WeakPolarHBondContact O-CA 3.4Å; E42-R55 PolarHBondContact N-O 3.15Å; E42-R55 PolarHBondContact O-N 3.23Å; E42-R57 IonicContact OE1-CZ 3.16Å; E42-R57 IonicContact OE1-NH2 2.75Å; E42-R57 PolarHBondContact OE1-NH2 2.98Å; E42-R57 IonicContact OE2-CZ 3.93Å; E42-R57 IonicContact OE2-NE 3.71Å; E42-R57 PolarHBondContact OE2-NE 2.96Å; E42-R57 IonicContact OE2-NH2 3.24Å; E42-R57 PolarHBondContact OE2-NH2 3.42Å
43S96.2Very high94.8Very high57 Ų5785.7 Ų85.740%0.39950%0.496SS..EExtended strand (participates in β ladder)trans-72.3138.1177.1-1720000110.3G45 R52S43-G45 PolarHBondContact O-N 3.46Å; S43-G45 PolarHBondContact OG-N 3.06Å; S43-R52 WeakPolarHBondContact CB-O 3.47Å; S43-R52 PolarHBondContact OG-O 3.2Å
44W94.7Very high94.9Very high103 Ų10382 Ų8239%0.3947%0.469SS..  trans-812.3171.2-62.6-10.7000113.3R48 V50 R55W44-R48 PolarHBondContact O-NE 3.14Å; W44-V50 HydrophobicContact CE3-CG2 4.01Å; W44-R55 HydrophobicContact CD2-CB 4.44Å; W44-R55 HydrophobicContact CZ2-CB 4.16Å
45G94.1Very high94.9Very high31 Ų3177.9 Ų77.932%0.3245%0.45SS..  trans74.7-153.9-178.400000113.5S43S43-G45 PolarHBondContact O-N 3.46Å; S43-G45 PolarHBondContact OG-N 3.06Å
46T95.2Very high94.9Very high108 Ų10877.3 Ų77.366%0.66344%0.443SS*.SBendtrans-89.9-179.3171.5450000110.9R48 R52T46-R48 VanDerWaalsContact C-N 3.35Å; T46-R48 PolarHBondContact O-N 3.01Å; T46-R52 HydrophobicContact CG2-CG 4.28Å
47G95.5Very high94.9Very high86 Ų8683 Ų8389%0.88746%0.459SS*.SBendtrans79.61.9170.300000116.9
48R91.3Very high94.8Very high155 Ų15581.8 Ų81.859%0.58547%0.472SS*.SBendtrans-114.521.7-178-56.8-162.5-166.4-148.7-5.4115.5W44 T46 V50W44-R48 PolarHBondContact O-NE 3.14Å; T46-R48 VanDerWaalsContact C-N 3.35Å; T46-R48 PolarHBondContact O-N 3.01Å; R48-V50 HydrophobicContact CB-CG2 3.96Å; R48-V50 PolarHBondContact O-N 3.48Å
49A94.1Very high94.7Very high113 Ų11377 Ų7793%0.93447%0.466SS*.SBendtrans50.827.1-174.800000115
50V93.9Very high94.8Very high55 Ų5579.6 Ų79.633%0.33350%0.501SS..SBendtrans-137.3156.1-179.8-670000112.5W44 R48W44-V50 HydrophobicContact CE3-CG2 4.01Å; R48-V50 HydrophobicContact CB-CG2 3.96Å; R48-V50 PolarHBondContact O-N 3.48Å
51A95.1Very high94.7Very high74 Ų7479.9 Ų79.961%0.61250%0.5SS*.  trans-65.2143.717600000113.1I53A51-I53 PolarHBondContact O-N 3.21Å
52R96.5Very high94.6Very high185 Ų18588.8 Ų88.870%0.69854%0.54SS*.SBendtrans-6813.9-174.7-59.1-177.8-73.2-177.4-4.2116.1S43 T46S43-R52 WeakPolarHBondContact CB-O 3.47Å; S43-R52 PolarHBondContact OG-O 3.2Å; T46-R52 HydrophobicContact CG2-CG 4.28Å
53I96Very high94.5Very high50 Ų5087.2 Ų87.226%0.25653%0.53SS..SBendtrans-70.2144.7179.3-165.667.8000110.3A51 R55 M72A51-I53 PolarHBondContact O-N 3.21Å; I53-R55 PolarHBondContact O-N 3.02Å; I53-M72 HydrophobicContact CD1-SD 3.96Å
54P96.9Very high94.4Very high33 Ų3385.9 Ų85.921%0.21452%0.52CS..EExtended strand (participates in β ladder)trans-56.2134.5172.8-28.938.5000112.3A41 E42 G67 A68 Y69A41-P54 HydrophobicContact CB-CB 4.21Å; E42-P54 CarbonylContact O-C 3.58Å; E42-P54 WeakPolarHBondContact O-CA 3.4Å; P54-G67 CarbonylContact O-C 3.54Å; P54-G67 WeakPolarHBondContact O-CA 3.45Å; P54-A68 PolarHBondContact O-N 2.79Å; P54-Y69 HydrophobicContact CB-CD2 3.81Å; P54-Y69 HydrophobicContact CB-CE2 4.08Å; P54-Y69 HydrophobicContact CG-CD2 4.03Å
55R95.9Very high94.3Very high54 Ų5481.7 Ų81.720%0.20451%0.509CS..EExtended strand (participates in β ladder)trans-118.2144.1-178.3-73.6176.2175.4-114.56110.9A41 E42 W44 I53 R57 G65 Q66A41-R55 VanDerWaalsContact CA-O 3.24Å; A41-R55 WeakPolarHBondContact CA-O 3.42Å; A41-R55 WeakPolarHBondContact CB-O 3.34Å; E42-R55 PolarHBondContact N-O 3.15Å; E42-R55 PolarHBondContact O-N 3.23Å; W44-R55 HydrophobicContact CD2-CB 4.44Å; W44-R55 HydrophobicContact CZ2-CB 4.16Å; I53-R55 PolarHBondContact O-N 3.02Å; R55-R57 PolarHBondContact O-N 3.38Å; R55-G65 VanDerWaalsContact CD-O 3.32Å; R55-G65 WeakPolarHBondContact CD-O 2.96Å; R55-G65 WeakPolarHBondContact CG-O 3.3Å; R55-G65 PolarHBondContact NH1-O 3.05Å; R55-Q66 VanDerWaalsContact CA-O 3.28Å; R55-Q66 WeakPolarHBondContact CA-O 3.44Å
56V95.7Very high94.4Very high21 Ų2183.4 Ų83.413%0.12751%0.509CS..  trans-64.7127.1179.9-1790000110T39 A41 R63 G65 Q66 A68T39-V56 HydrophobicContact CG2-CG2 4.44Å; A41-V56 HydrophobicContact CB-CG2 4.49Å; V56-R63 HydrophobicContact CG1-CG 4.42Å; V56-R63 HydrophobicContact CG2-CG 4.31Å; V56-G65 PolarHBondContact O-N 2.61Å; V56-Q66 PolarHBondContact N-O 3.37Å; V56-A68 HydrophobicContact CG2-CB 4.03Å
57R93.7Very high94.4Very high136 Ų13679.2 Ų79.251%0.51349%0.487SS..  trans-66.5171.9178-71178.2171.8-176.8-6112.6S40 E42 R55S40-R57 WeakPolarHBondContact O-CD 3.46Å; S40-R57 WeakPolarHBondContact O-CG 3.38Å; E42-R57 IonicContact OE1-CZ 3.16Å; E42-R57 IonicContact OE1-NH2 2.75Å; E42-R57 PolarHBondContact OE1-NH2 2.98Å; E42-R57 IonicContact OE2-CZ 3.93Å; E42-R57 IonicContact OE2-NE 3.71Å; E42-R57 PolarHBondContact OE2-NE 2.96Å; E42-R57 IonicContact OE2-NH2 3.24Å; E42-R57 PolarHBondContact OE2-NH2 3.42Å; R55-R57 PolarHBondContact O-N 3.38Å
58G92.7Very high94.4Very high70 Ų7075.1 Ų75.172%0.72245%0.445SS*.  trans81.3-177.5177.100000114.2S64G58-S64 VanDerWaalsContact O-CB 3.31Å; G58-S64 WeakPolarHBondContact O-CB 3.44Å; G58-S64 PolarHBondContact O-OG 3.4Å
59G93.7Very high94.5Very high58 Ų5870.9 Ų70.960%0.59843%0.429SS*.SBendtrans-138.3-175.5177.200000111.6T61G59-T61 PolarHBondContact O-N 3.28Å; G59-T61 VanDerWaalsContact O-N 3.09Å
60G94.2Very high94.6Very high98 Ų9866 Ų66100%1.0139%0.391SS*.SBendtrans71.9-4.4175.600000116.4
61T93.9Very high94.7Very high83 Ų8368 Ų6851%0.50940%0.399SS..SBendtrans-116.3147.7176.3820000111.6G59 R63 S64G59-T61 PolarHBondContact O-N 3.28Å; G59-T61 VanDerWaalsContact O-N 3.09Å; T61-R63 PolarHBondContact O-N 3.47Å; T61-R63 PolarHBondContact OG1-N 3.31Å; T61-S64 WeakPolarHBondContact O-CB 3.31Å; T61-S64 PolarHBondContact O-N 2.96Å; T61-S64 PolarHBondContact OG1-N 3.31Å; T61-S64 PolarHBondContact OG1-OG 2.96Å
62H92.9Very high94.8Very high192 Ų19270.8 Ų70.889%0.88940%0.401SS*.THydrogen-bonded Turntrans-59.8-12.4173.6-60.9-68.2000114.3Q66H62-Q66 PolarHBondContact O-NE2 2.82Å
63R93.1Very high94.8Very high69 Ų6963 Ų6326%0.2638%0.375SS..THydrogen-bonded Turntrans-96.2-22.6-179-175.855177.1-178.6-1.9113.3V56 T61 Q66 R74V56-R63 HydrophobicContact CG1-CG 4.42Å; V56-R63 HydrophobicContact CG2-CG 4.31Å; T61-R63 PolarHBondContact O-N 3.47Å; T61-R63 PolarHBondContact OG1-N 3.31Å; R63-Q66 WeakPolarHBondContact O-CB 3.28Å; R63-Q66 WeakPolarHBondContact O-CG 3.48Å; R63-Q66 PolarHBondContact O-N 2.89Å; R63-R74 PolarHBondContact NH1-O 3.13Å; R63-R74 PolarHBondContact NH2-O 3.36Å
64S93.7Very high94.7Very high29 Ų2970.2 Ų70.220%0.20340%0.399CS..THydrogen-bonded Turntrans-55.3139.9177.8-64.50000111.4G58 T61 Q66G58-S64 VanDerWaalsContact O-CB 3.31Å; G58-S64 WeakPolarHBondContact O-CB 3.44Å; G58-S64 PolarHBondContact O-OG 3.4Å; T61-S64 WeakPolarHBondContact O-CB 3.31Å; T61-S64 PolarHBondContact O-N 2.96Å; T61-S64 PolarHBondContact OG1-N 3.31Å; T61-S64 PolarHBondContact OG1-OG 2.96Å; S64-Q66 PolarHBondContact O-N 3.14Å; S64-Q66 VanDerWaalsContact O-N 3.15Å
65G92.2Very high94.5Very high15 Ų1571.5 Ų71.516%0.15542%0.418CS..THydrogen-bonded Turntrans73.7-8.2-178.300000116.4R55 V56R55-G65 VanDerWaalsContact CD-O 3.32Å; R55-G65 WeakPolarHBondContact CD-O 2.96Å; R55-G65 WeakPolarHBondContact CG-O 3.3Å; R55-G65 PolarHBondContact NH1-O 3.05Å; V56-G65 PolarHBondContact O-N 2.61Å
66Q96Very high94.5Very high68 Ų6869.9 Ų69.932%0.31842%0.418SS..  trans-73.9152174.6-61.7-171.18.300112.1R55 V56 H62 R63 S64R55-Q66 VanDerWaalsContact CA-O 3.28Å; R55-Q66 WeakPolarHBondContact CA-O 3.44Å; V56-Q66 PolarHBondContact N-O 3.37Å; H62-Q66 PolarHBondContact O-NE2 2.82Å; R63-Q66 WeakPolarHBondContact O-CB 3.28Å; R63-Q66 WeakPolarHBondContact O-CG 3.48Å; R63-Q66 PolarHBondContact O-N 2.89Å; S64-Q66 PolarHBondContact O-N 3.14Å; S64-Q66 VanDerWaalsContact O-N 3.15Å
67G95.1Very high94.4Very high19 Ų1971.4 Ų71.420%0.19642%0.424CS..BIsolated β-bridgetrans-65.3144.1176.300000113.9P54P54-G67 CarbonylContact O-C 3.54Å; P54-G67 WeakPolarHBondContact O-CA 3.45Å
68A95.9Very high94.5Very high1 Ų169.3 Ų69.31%0.00842%0.421CS..  trans-138.7170.4-174.300000112.6A41 P54 V56 G70A41-A68 HydrophobicContact CB-CB 3.38Å; P54-A68 PolarHBondContact O-N 2.79Å; V56-A68 HydrophobicContact CG2-CB 4.03Å; A68-G70 PolarHBondContact O-N 3.29Å
69Y94.5Very high94.7Very high65 Ų6575 Ų7526%0.25542%0.422SS..SBendtrans56.9-58.5-170.3-48.1-52.6000115.3G36 H37 T39 A41 P54 G76 H77G36-Y69 WeakPolarHBondContact O-CD1 3.42Å; H37-Y69 AromaticContact ND1-CD1 3.96Å; T39-Y69 PolarHBondContact O-OH 2.84Å; T39-Y69 WeakPolarHBondContact OG1-CE1 3.47Å; A41-Y69 HydrophobicContact CB-CE2 4.03Å; A41-Y69 PolarHBondContact N-OH 2.95Å; A41-Y69 WeakPolarHBondContact O-CE2 3.44Å; A41-Y69 PolarHBondContact O-OH 2.95Å; P54-Y69 HydrophobicContact CB-CD2 3.81Å; P54-Y69 HydrophobicContact CB-CE2 4.08Å; P54-Y69 HydrophobicContact CG-CD2 4.03Å; Y69-G76 CarbonylContact O-C 3.52Å; Y69-G76 WeakPolarHBondContact O-CA 3.44Å; Y69-H77 PolarHBondContact O-CD2 3.48Å; Y69-H77 VanDerWaalsContact O-CG 3.3Å; Y69-H77 PolarHBondContact O-N 2.96Å; Y69-H77 PolarHBondContact O-NE2 3.22Å
70G94.7Very high94.8Very high12 Ų1275.5 Ų75.512%0.12442%0.421CS..SBendtrans-55.1148.5-169.300000115.3A68 M72 C73A68-G70 PolarHBondContact O-N 3.29Å; G70-M72 PolarHBondContact O-N 3.26Å; G70-C73 VanDerWaalsContact O-CB 3.28Å; G70-C73 WeakPolarHBondContact O-CB 3.44Å; G70-C73 PolarHBondContact O-N 3.41Å
71N97.2Very high94.9Very high95 Ų9573.3 Ų73.351%0.50839%0.388SS..THydrogen-bonded Turntrans-68.4-14-17764-66.6000114.9H77N71-H77 WeakPolarHBondContact CA-O 3.44Å; N71-H77 WeakPolarHBondContact CB-O 3.16Å
72M96.6Very high95.1Very high133 Ų13372 Ų7266%0.65538%0.381SS*.THydrogen-bonded Turntrans-86.4-12169.968.1-63.1-63.900113.1I53 G70I53-M72 HydrophobicContact CD1-SD 3.96Å; G70-M72 PolarHBondContact O-N 3.26Å
73C95.6Very high95.2Very high22 Ų2269.8 Ų69.815%0.14937%0.369CS..SBendtrans-87.5136.9-176.3-610000112.2G70 G75 G76G70-C73 VanDerWaalsContact O-CB 3.28Å; G70-C73 WeakPolarHBondContact O-CB 3.44Å; G70-C73 PolarHBondContact O-N 3.41Å; C73-G75 PolarHBondContact O-N 3.14Å; C73-G75 VanDerWaalsContact O-N 3.11Å; C73-G76 PolarHBondContact O-N 3.14Å
74R94.5Very high95.4Very high202 Ų20271 Ų7176%0.76238%0.383SS*.THydrogen-bonded Turntrans-59.9115.9168.6-179.3177176.8-99.62.4109.6R63R63-R74 PolarHBondContact NH1-O 3.13Å; R63-R74 PolarHBondContact NH2-O 3.36Å
75G92.7Very high95.5Very high59 Ų5977 Ų7761%0.60841%0.41SS*.THydrogen-bonded Turntrans82.96.9-176.600000115.3C73C73-G75 PolarHBondContact O-N 3.14Å; C73-G75 VanDerWaalsContact O-N 3.11Å
76G95.1Very high95.7Very high21 Ų2182.9 Ų82.922%0.21643%0.428CS..  trans-73.1177.6168.500000112.9Y69 C73Y69-G76 CarbonylContact O-C 3.52Å; Y69-G76 WeakPolarHBondContact O-CA 3.44Å; C73-G76 PolarHBondContact O-N 3.14Å
77H94.5Very high95.8Very high52 Ų5287.4 Ų87.424%0.24144%0.442CS..PPolyproline II helixtrans-79.4149.1172.56873000110.4A35 H37 Y69 N71A35-H77 WeakPolarHBondContact O-CB 3.38Å; H37-H77 AromaticContact CE1-CD2 3.2Å; H37-H77 PolarHBondContact CE1-CD2 2.78Å; H37-H77 AromaticContact CE1-NE2 3.74Å; H37-H77 AromaticContact NE2-CD2 3.27Å; H37-H77 PolarHBondContact NE2-CD2 3.18Å; H37-H77 VanDerWaalsContact NE2-CD2 3.27Å; H37-H77 AromaticContact NE2-CG 3.62Å; Y69-H77 PolarHBondContact O-CD2 3.48Å; Y69-H77 VanDerWaalsContact O-CG 3.3Å; Y69-H77 PolarHBondContact O-N 2.96Å; Y69-H77 PolarHBondContact O-NE2 3.22Å; N71-H77 WeakPolarHBondContact CA-O 3.44Å; N71-H77 WeakPolarHBondContact CB-O 3.16Å
78M96.3Very high95.8Very high92 Ų9287 Ų8745%0.45344%0.435SS..PPolyproline II helixtrans-68.4158.7174.266.1-176.462.900111.8V31 P81V31-M78 HydrophobicContact CB-CE 4.15Å; V31-M78 HydrophobicContact CG1-CE 4.17Å; V31-M78 HydrophobicContact CG1-SD 4.12Å; V31-M78 HydrophobicContact CG2-CE 4.1Å; M78-P81 HydrophobicContact CG-CB 4.19Å; M78-P81 HydrophobicContact CG-CG 4.11Å; M78-P81 WeakPolarHBondContact O-CD 3.36Å; M78-P81 WeakPolarHBondContact O-CG 3.36Å
79Y96.7Very high95.9Very high189 Ų18991.7 Ų91.774%0.74146%0.456SS*.SBendtrans-65.1137.8165.5173.2-101.3000110.1
80A95.8Very high96Very high69 Ų6992.8 Ų92.857%0.5746%0.46SS*.SBendtrans4265.3-177.700000114.4T82A80-T82 PolarHBondContact O-N 3.44Å
81P96Very high96.1Very high52 Ų52101.8 Ų101.834%0.33850%0.495SS..  trans-48.2131.5-176.7-29.336.4000113.6V31 M78 K83V31-P81 HydrophobicContact CG1-CB 3.74Å; M78-P81 HydrophobicContact CG-CB 4.19Å; M78-P81 HydrophobicContact CG-CG 4.11Å; M78-P81 WeakPolarHBondContact O-CD 3.36Å; M78-P81 WeakPolarHBondContact O-CG 3.36Å; P81-K83 PolarHBondContact O-N 3.17Å; P81-K83 VanDerWaalsContact O-N 3.1Å
82T97.3Very high96Very high57 Ų5798.7 Ų98.735%0.3548%0.479SS..  trans-62.6115.6-17651.80000111.2Y29 A30 V31 A80Y29-T82 HydrophobicContact CE2-CG2 4.46Å; A30-T82 WeakPolarHBondContact CA-O 3.47Å; A30-T82 WeakPolarHBondContact CB-O 3.45Å; V31-T82 PolarHBondContact N-O 3.13Å; V31-T82 PolarHBondContact N-OG1 2.91Å; A80-T82 PolarHBondContact O-N 3.44Å
83K95.9Very high96Very high145 Ų14596.2 Ų96.263%0.6347%0.468SS*.  trans-93.8148.2177.2-58.2-172.9-179.9-176.80112.2P81 M85 R86P81-K83 PolarHBondContact O-N 3.17Å; P81-K83 VanDerWaalsContact O-N 3.1Å; K83-M85 VanDerWaalsContact C-N 3.28Å; K83-M85 HydrophobicContact CB-CG 3.92Å; K83-M85 HydrophobicContact CB-SD 4.42Å; K83-M85 HydrophobicContact CD-CG 4.47Å; K83-M85 HydrophobicContact CD-SD 3.89Å; K83-M85 PolarHBondContact O-N 2.97Å; K83-R86 PolarHBondContact O-N 2.89Å
84T96.8Very high96Very high93 Ų9399.3 Ų99.357%0.57148%0.482SS*.THydrogen-bonded Turntrans-60.1-35.7174.948.80000112.6A30 R86 W88A30-T84 HydrophobicContact CB-CG2 3.68Å; T84-R86 PolarHBondContact O-N 3.21Å; T84-W88 PolarHBondContact O-NE1 2.94Å
85M96.4Very high95.9Very high156 Ų15695.6 Ų95.677%0.76847%0.474SS*.THydrogen-bonded Turntrans-63.1-0.5-178.675.3-170.5-61.900116K83K83-M85 VanDerWaalsContact C-N 3.28Å; K83-M85 HydrophobicContact CB-CG 3.92Å; K83-M85 HydrophobicContact CB-SD 4.42Å; K83-M85 HydrophobicContact CD-CG 4.47Å; K83-M85 HydrophobicContact CD-SD 3.89Å; K83-M85 PolarHBondContact O-N 2.97Å
86R96.8Very high96.1Very high138 Ų13896.5 Ų96.552%0.52146%0.462SS..SBendtrans-54.2140.8172.5-177.4-176.4-171.7178.78.3110.3Y29 K83 T84 W88Y29-R86 PolarHBondContact OH-NH1 3.48Å; K83-R86 PolarHBondContact O-N 2.89Å; T84-R86 PolarHBondContact O-N 3.21Å; R86-W88 HydrophobicContact CB-CZ2 3.98Å; R86-W88 HydrophobicContact CG-CZ2 4.41Å; R86-W88 PolarHBondContact O-N 3.13Å; R86-W88 PolarHBondContact O-NE1 3.37Å; R86-W88 VanDerWaalsContact O-NE1 3.11Å
87R96.5Very high96.1Very high163 Ų163100.8 Ų100.862%0.61547%0.472SS*.  trans-71.385176.4-169.7176.8-177.1-175.96.5112.9H89 R90R87-H89 WeakPolarHBondContact CG-O 3.23Å; R87-R90 PolarHBondContact O-NH2 3.19Å
88W96.7Very high96.1Very high12 Ų12101.2 Ų101.25%0.04547%0.471CS..  trans-70.5-55.1176.1-55.698.5000112.2R26 P28 Y29 T84 R86R26-W88 HydrophobicContact CB-CE3 4.49Å; P28-W88 HydrophobicContact CB-CD2 4.46Å; P28-W88 HydrophobicContact CB-CZ2 4.31Å; P28-W88 HydrophobicContact CG-CG 4.3Å; Y29-W88 AromaticContact CD1-CH2 3.43Å; Y29-W88 HydrophobicContact CD1-CH2 3.43Å; Y29-W88 VanDerWaalsContact CD1-CH2 3.43Å; Y29-W88 HydrophobicContact CD1-CZ2 4.47Å; Y29-W88 AromaticContact CD1-CZ3 3.7Å; Y29-W88 HydrophobicContact CD1-CZ3 3.7Å; Y29-W88 HydrophobicContact CD2-CH2 4.04Å; Y29-W88 AromaticContact CE1-CH2 3.38Å; Y29-W88 HydrophobicContact CE1-CH2 3.38Å; Y29-W88 AromaticContact CE1-CZ3 3.44Å; Y29-W88 HydrophobicContact CE1-CZ3 3.44Å; Y29-W88 VanDerWaalsContact CE1-CZ3 3.44Å; Y29-W88 AromaticContact CE2-CH2 3.98Å; Y29-W88 HydrophobicContact CE2-CH2 3.98Å; Y29-W88 AromaticContact CG-CH2 3.77Å; Y29-W88 HydrophobicContact CG-CH2 3.77Å; Y29-W88 HydrophobicContact CG-CZ3 4.48Å; Y29-W88 AromaticContact CZ-CH2 3.65Å; T84-W88 PolarHBondContact O-NE1 2.94Å; R86-W88 HydrophobicContact CB-CZ2 3.98Å; R86-W88 HydrophobicContact CG-CZ2 4.41Å; R86-W88 PolarHBondContact O-N 3.13Å; R86-W88 PolarHBondContact O-NE1 3.37Å; R86-W88 VanDerWaalsContact O-NE1 3.11Å
89H97Very high96.1Very high99 Ų9998.8 Ų98.846%0.45846%0.457SS..  trans-82.5151.9-177.5-52.9-79.2000111.9N24 R87N24-H89 PolarHBondContact O-CE1 3.19Å; N24-H89 PolarHBondContact O-ND1 3Å; N24-H89 VanDerWaalsContact OD1-CA 3.27Å; N24-H89 WeakPolarHBondContact OD1-CA 3.44Å; R87-H89 WeakPolarHBondContact CG-O 3.23Å
90R96.4Very high96.2Very high87 Ų8789.8 Ų89.833%0.32842%0.422SS..  trans-133121.6-172.8-62.2-72.3161.7160.4-4.6109.1Q20 K23 N24 R87Q20-R90 HydrophobicContact CB-CB 4.09Å; K23-R90 HydrophobicContact CB-CG 4.18Å; K23-R90 HydrophobicContact CD-CG 3.97Å; N24-R90 PolarHBondContact ND2-O 2.89Å; N24-R90 PolarHBondContact OD1-N 3.03Å; N24-R90 PolarHBondContact OD1-O 3.08Å; R87-R90 PolarHBondContact O-NH2 3.19Å
91K97Very high96.2Very high201 Ų20187.3 Ų87.387%0.87440%0.399SS*.  trans-70.8139.3172-168.8174.4-177.8178.60108
92I96.4Very high96.2Very high30 Ų3084.9 Ų84.915%0.15438%0.383CS..  trans-130136.6178.9-51.3173.5000106.4V17 Q20 M21 I94 R97V17-I92 HydrophobicContact CG1-CD1 4.43Å; V17-I92 HydrophobicContact CG1-CG2 4.27Å; V17-I92 HydrophobicContact CG2-CG2 4.16Å; Q20-I92 HydrophobicContact CB-CD1 3.67Å; Q20-I92 HydrophobicContact CB-CG1 3.72Å; M21-I92 HydrophobicContact CB-CD1 3.9Å; I92-I94 PolarHBondContact O-N 3.19Å; I92-R97 HydrophobicContact CG2-CB 4.24Å
93N96.1Very high96.2Very high81 Ų8182.1 Ų82.143%0.43337%0.366SS..  trans-60.3131173.8-178.7-15.9000109.4Q95 Q96 R97N93-Q95 PolarHBondContact O-N 3.34Å; N93-Q95 PolarHBondContact OD1-N 3.2Å; N93-Q96 HydrophobicContact CB-CB 4.18Å; N93-Q96 HydrophobicContact CB-CG 4.01Å; N93-Q96 PolarHBondContact O-N 3.08Å; N93-R97 PolarHBondContact O-N 2.97Å
94I94.8Very high96.3Very high87 Ų8775.3 Ų75.345%0.44634%0.337SS..Hα-helixtrans-57.8-38.7-179.7-62.9174.3000110.9I92 R97 R98I92-I94 PolarHBondContact O-N 3.19Å; I94-R97 PolarHBondContact O-N 3.12Å; I94-R98 HydrophobicContact CG2-CG 4.45Å; I94-R98 VanDerWaalsContact O-CG 3.27Å; I94-R98 WeakPolarHBondContact O-CG 3.34Å; I94-R98 PolarHBondContact O-N 2.91Å
95Q93.8Very high96.3Very high125 Ų12570.9 Ų70.958%0.58431%0.309SS*.Hα-helixtrans-66.2-47.6177.5-68.7179.3-11.300111.8N93 R97 R98 Y99N93-Q95 PolarHBondContact O-N 3.34Å; N93-Q95 PolarHBondContact OD1-N 3.2Å; Q95-R97 VanDerWaalsContact C-N 3.3Å; Q95-R97 PolarHBondContact O-N 3.08Å; Q95-R98 PolarHBondContact O-N 3.37Å; Q95-R98 VanDerWaalsContact O-N 3.14Å; Q95-Y99 PolarHBondContact O-N 2.99Å
96Q95.1Very high96.3Very high78 Ų7863.6 Ų63.636%0.36427%0.274SS..Hα-helixtrans-57.4-43.3173.6-70.8176.8-17.800111.4V17 N93 R98 Y99 A100V17-Q96 HydrophobicContact CG2-CB 4.23Å; N93-Q96 HydrophobicContact CB-CB 4.18Å; N93-Q96 HydrophobicContact CB-CG 4.01Å; N93-Q96 PolarHBondContact O-N 3.08Å; Q96-R98 PolarHBondContact O-N 2.93Å; Q96-Y99 PolarHBondContact O-N 3.22Å; Q96-A100 PolarHBondContact O-N 3.35Å
97R96Very high96.3Very high111 Ų11157 Ų5742%0.41925%0.249SC..Hα-helixtrans-63-40.3176.4-173.1178.566177.8-0.8112.3V17 I92 N93 I94 Q95 I101V17-R97 HydrophobicContact CG1-CB 4.36Å; V17-R97 HydrophobicContact CG1-CG 4.28Å; I92-R97 HydrophobicContact CG2-CB 4.24Å; N93-R97 PolarHBondContact O-N 2.97Å; I94-R97 PolarHBondContact O-N 3.12Å; Q95-R97 VanDerWaalsContact C-N 3.3Å; Q95-R97 PolarHBondContact O-N 3.08Å; R97-I101 HydrophobicContact CG-CD1 4.28Å; R97-I101 WeakPolarHBondContact O-CD1 3.27Å; R97-I101 VanDerWaalsContact O-CG1 3.32Å; R97-I101 WeakPolarHBondContact O-CG1 3.44Å; R97-I101 PolarHBondContact O-N 2.93Å
98R95.4Very high96.3Very high60 Ų6049.2 Ų49.223%0.22622%0.22CC..Hα-helixtrans-65.8-44.7175.4-71.6171.3-178.31720.4110.9I94 Q95 Q96 I101 C102 S252 F254I94-R98 HydrophobicContact CG2-CG 4.45Å; I94-R98 VanDerWaalsContact O-CG 3.27Å; I94-R98 WeakPolarHBondContact O-CG 3.34Å; I94-R98 PolarHBondContact O-N 2.91Å; Q95-R98 PolarHBondContact O-N 3.37Å; Q95-R98 VanDerWaalsContact O-N 3.14Å; Q96-R98 PolarHBondContact O-N 2.93Å; R98-I101 PolarHBondContact O-N 3.47Å; R98-C102 PolarHBondContact O-N 3.42Å; R98-C102 PolarHBondContact O-SG 2.79Å; R98-S252 PolarHBondContact NH1-O 3.43Å; R98-F254 HydrophobicContact CB-CD2 3.98Å; R98-F254 HydrophobicContact CB-CE2 3.4Å; R98-F254 HydrophobicContact CB-CZ 3.81Å; R98-F254 VanDerWaalsContact CD-CD2 3.44Å; R98-F254 HydrophobicContact CG-CD2 4.31Å; R98-F254 HydrophobicContact CG-CE2 4.2Å
99Y95.8Very high96.3Very high42 Ų4249.6 Ų49.617%0.16523%0.227CC..Hα-helixtrans-55.1-53.2174.4-164-48.5000111R10 L13 Q95 Q96 I101 C102 S103 P257R10-Y99 HydrophobicContact CB-CE1 4.02Å; R10-Y99 VanDerWaalsContact CD-OH 3.32Å; R10-Y99 WeakPolarHBondContact CD-OH 3.27Å; R10-Y99 HydrophobicContact CG-CE1 4.04Å; L13-Y99 HydrophobicContact CD1-CD1 4.16Å; L13-Y99 HydrophobicContact CD1-CD2 4.17Å; L13-Y99 HydrophobicContact CD1-CG 3.99Å; L13-Y99 HydrophobicContact CD2-CD1 3.88Å; L13-Y99 HydrophobicContact CD2-CG 4.05Å; Q95-Y99 PolarHBondContact O-N 2.99Å; Q96-Y99 PolarHBondContact O-N 3.22Å; Y99-I101 PolarHBondContact O-N 3.44Å; Y99-C102 WeakPolarHBondContact O-CA 3.28Å; Y99-C102 WeakPolarHBondContact O-CB 3.43Å; Y99-C102 PolarHBondContact O-N 3.25Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.26Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.24Å; Y99-S103 PolarHBondContact O-N 2.89Å; Y99-S103 PolarHBondContact O-OG 3.41Å; Y99-P257 HydrophobicContact CD1-CG 4.1Å; Y99-P257 HydrophobicContact CD2-CB 3.66Å; Y99-P257 HydrophobicContact CD2-CG 3.5Å; Y99-P257 VanDerWaalsContact CD2-CG 3.5Å; Y99-P257 HydrophobicContact CE1-CB 4.2Å; Y99-P257 HydrophobicContact CE1-CG 4.27Å; Y99-P257 HydrophobicContact CE2-CB 3.32Å; Y99-P257 HydrophobicContact CE2-CG 3.73Å; Y99-P257 HydrophobicContact CG-CB 4.23Å; Y99-P257 HydrophobicContact CG-CG 3.68Å
100A97.6Very high96.2Very high0 Ų046.9 Ų46.90%022%0.217CC..Hα-helixtrans-56.1-39-179.700000112.6L13 V17 Q96 A104 L214L13-A100 HydrophobicContact CD2-CB 3.72Å; V17-A100 HydrophobicContact CB-CB 3.81Å; V17-A100 HydrophobicContact CG1-CB 3.86Å; V17-A100 HydrophobicContact CG2-CB 3.97Å; Q96-A100 PolarHBondContact O-N 3.35Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.25Å; A100-A104 PolarHBondContact O-N 3.34Å; A100-L214 HydrophobicContact CB-CD1 4.16Å; A100-L214 HydrophobicContact CB-CD2 3.72Å; A100-L214 WeakPolarHBondContact O-CD1 3.27Å
101I96.7Very high96.2Very high17 Ų1745.8 Ų45.89%0.08722%0.222CC..Hα-helixtrans-69.5-40.6176.3-65165.1000111R97 R98 Y99 A104 I105 L212 L214 L217 Y241R97-I101 HydrophobicContact CG-CD1 4.28Å; R97-I101 WeakPolarHBondContact O-CD1 3.27Å; R97-I101 VanDerWaalsContact O-CG1 3.32Å; R97-I101 WeakPolarHBondContact O-CG1 3.44Å; R97-I101 PolarHBondContact O-N 2.93Å; R98-I101 PolarHBondContact O-N 3.47Å; Y99-I101 PolarHBondContact O-N 3.44Å; I101-A104 PolarHBondContact O-N 3.13Å; I101-I105 HydrophobicContact CG2-CD1 3.91Å; I101-I105 HydrophobicContact CG2-CG1 4.41Å; I101-I105 WeakPolarHBondContact O-CD1 3.35Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.42Å; I101-I105 PolarHBondContact O-N 3.03Å; I101-L212 HydrophobicContact CG2-CB 4.17Å; I101-L214 HydrophobicContact CG1-CB 4.1Å; I101-L214 HydrophobicContact CG1-CD1 4.33Å; I101-L217 HydrophobicContact CG2-CD1 4.13Å; I101-Y241 HydrophobicContact CG2-CE1 4.36Å; I101-Y241 WeakPolarHBondContact CG2-OH 3.46Å
102C96.1Very high96.1Very high0 Ų039.9 Ų39.90%021%0.206CC..Hα-helixtrans-57.8-53173.5-64.50000111.8V4 T7 R98 Y99 A104 I105 A106 Y241V4-C102 HydrophobicContact CG2-CB 4Å; T7-C102 HydrophobicContact CG2-CB 4.06Å; T7-C102 PolarHBondContact OG1-O 3.08Å; R98-C102 PolarHBondContact O-N 3.42Å; R98-C102 PolarHBondContact O-SG 2.79Å; Y99-C102 WeakPolarHBondContact O-CA 3.28Å; Y99-C102 WeakPolarHBondContact O-CB 3.43Å; Y99-C102 PolarHBondContact O-N 3.25Å; C102-A104 PolarHBondContact O-N 3.33Å; C102-I105 WeakPolarHBondContact O-CB 3.4Å; C102-I105 PolarHBondContact O-N 2.9Å; C102-A106 PolarHBondContact O-N 3.21Å; C102-Y241 WeakPolarHBondContact SG-CD1 3.41Å
103S97.1Very high96.2Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-59-36.4177.3-55.50000112.2P8 Y99 A107P8-S103 WeakPolarHBondContact O-CB 3.35Å; P8-S103 PolarHBondContact O-OG 2.9Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.26Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.24Å; Y99-S103 PolarHBondContact O-N 2.89Å; Y99-S103 PolarHBondContact O-OG 3.41Å; S103-A107 WeakPolarHBondContact O-CB 3.47Å; S103-A107 PolarHBondContact O-N 3.32Å
104A97.6Very high96.2Very high1 Ų137 Ų371%0.00819%0.19CC..Hα-helixtrans-66.9-37.2175.300000112.9L14 A100 I101 C102 T108 L214 L217L14-A104 HydrophobicContact CD1-CB 3.72Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.25Å; A100-A104 PolarHBondContact O-N 3.34Å; I101-A104 PolarHBondContact O-N 3.13Å; C102-A104 PolarHBondContact O-N 3.33Å; A104-T108 WeakPolarHBondContact O-CG2 3.36Å; A104-L214 HydrophobicContact CB-CD1 3.62Å; A104-L217 HydrophobicContact CB-CB 3.98Å; A104-L217 HydrophobicContact CB-CD1 4.36Å
105I97Very high96.3Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-68.3-50.2174.9-65159.6000109.9V4 F5 I101 C102 A107 T108 L212 L217 W229 L237 Y241V4-I105 HydrophobicContact CG1-CG2 3.74Å; V4-I105 HydrophobicContact CG2-CB 4.47Å; V4-I105 HydrophobicContact CG2-CD1 4.18Å; V4-I105 HydrophobicContact CG2-CG2 4.46Å; F5-I105 HydrophobicContact CE1-CG2 4.07Å; F5-I105 WeakPolarHBondContact CE1-O 3.4Å; F5-I105 HydrophobicContact CE2-CG2 4.25Å; F5-I105 HydrophobicContact CZ-CG2 3.89Å; I101-I105 HydrophobicContact CG2-CD1 3.91Å; I101-I105 HydrophobicContact CG2-CG1 4.41Å; I101-I105 WeakPolarHBondContact O-CD1 3.35Å; I101-I105 VanDerWaalsContact O-CG1 3.26Å; I101-I105 WeakPolarHBondContact O-CG1 3.42Å; I101-I105 PolarHBondContact O-N 3.03Å; C102-I105 WeakPolarHBondContact O-CB 3.4Å; C102-I105 PolarHBondContact O-N 2.9Å; I105-A107 VanDerWaalsContact C-N 3.27Å; I105-A107 PolarHBondContact O-N 3.07Å; I105-T108 WeakPolarHBondContact O-CB 3.28Å; I105-T108 PolarHBondContact O-N 3.4Å; I105-T108 PolarHBondContact O-OG1 2.86Å; I105-L212 HydrophobicContact CD1-CD1 3.75Å; I105-L212 HydrophobicContact CG1-CD1 4.34Å; I105-L217 HydrophobicContact CG1-CD1 4Å; I105-W229 HydrophobicContact CG1-CH2 4.45Å; I105-W229 HydrophobicContact CG2-CH2 3.99Å; I105-W229 HydrophobicContact CG2-CZ2 3.97Å; I105-L237 HydrophobicContact CD1-CD2 4.44Å; I105-Y241 HydrophobicContact CD1-CE1 4.35Å; I105-Y241 HydrophobicContact CD1-CE2 3.84Å
106A96.8Very high96.4Very high3 Ų335.1 Ų35.13%0.02520%0.196CC..Hα-helixtrans-54.7-44178.900000111.9L9 C102 T108 G109L9-A106 HydrophobicContact CD2-CB 3.65Å; C102-A106 PolarHBondContact O-N 3.21Å; A106-T108 PolarHBondContact O-N 3.37Å; A106-T108 VanDerWaalsContact O-N 3.12Å; A106-G109 PolarHBondContact O-N 3.14Å
107A97.5Very high96.4Very high0 Ų034 Ų340%019%0.188CC..G310 helixtrans-61.3-19175.800000114.9L9 S103 I105 G109 V110 L113 M223 G224L9-A107 HydrophobicContact CD2-CB 4.02Å; S103-A107 WeakPolarHBondContact O-CB 3.47Å; S103-A107 PolarHBondContact O-N 3.32Å; I105-A107 VanDerWaalsContact C-N 3.27Å; I105-A107 PolarHBondContact O-N 3.07Å; A107-G109 VanDerWaalsContact C-N 3.28Å; A107-V110 PolarHBondContact O-N 3.35Å; A107-L113 HydrophobicContact CB-CD1 3.85Å; A107-M223 HydrophobicContact CB-CB 3.64Å; A107-M223 HydrophobicContact CB-CG 3.91Å; A107-M223 HydrophobicContact CB-SD 3.86Å; A107-G224 WeakPolarHBondContact O-CA 3.3Å
108T96.7Very high96.3Very high0 Ų030.6 Ų30.60%019%0.188CC..G310 helixtrans-74.9-18.417469.70000113.3A104 I105 A106 R225 A227A104-T108 WeakPolarHBondContact O-CG2 3.36Å; I105-T108 WeakPolarHBondContact O-CB 3.28Å; I105-T108 PolarHBondContact O-N 3.4Å; I105-T108 PolarHBondContact O-OG1 2.86Å; A106-T108 PolarHBondContact O-N 3.37Å; A106-T108 VanDerWaalsContact O-N 3.12Å; T108-R225 WeakPolarHBondContact CB-O 3.27Å; T108-R225 VanDerWaalsContact CG2-O 3.28Å; T108-R225 WeakPolarHBondContact CG2-O 3.47Å; T108-A227 HydrophobicContact CG2-CB 3.89Å
109G95.6Very high96.4Very high19 Ų1928.1 Ų28.120%0.19618%0.179CC..G310 helixtrans-91.44.8173.900000114.4A106 A107A106-G109 PolarHBondContact O-N 3.14Å; A107-G109 VanDerWaalsContact C-N 3.28Å
110V95.4Very high96.3Very high42 Ų4231.8 Ų31.826%0.25519%0.192SC..  trans-110.4105.4-178.4-179.40000109.1L9 A107 S112 L113 V114L9-V110 HydrophobicContact CD1-CG2 4.18Å; A107-V110 PolarHBondContact O-N 3.35Å; V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 WeakPolarHBondContact CG1-OG 3.3Å; V110-S112 PolarHBondContact O-N 2.98Å; V110-L113 HydrophobicContact CB-CB 4.32Å; V110-L113 HydrophobicContact CB-CD1 4.08Å; V110-L113 HydrophobicContact CB-CG 4.23Å; V110-L113 HydrophobicContact CG1-CB 4.31Å; V110-L113 HydrophobicContact CG1-CD1 4.1Å; V110-L113 HydrophobicContact CG1-CG 3.9Å; V110-L113 PolarHBondContact O-N 3.26Å; V110-L113 VanDerWaalsContact O-N 3.17Å; V110-V114 PolarHBondContact O-N 3.05Å
111P95.7Very high96.1Very high64 Ų6432.2 Ų32.242%0.41620%0.195SC..Hα-helixtrans-55.2-42.4-175.1-27.433.9000113.9L113 V114 M115 L127P111-L113 VanDerWaalsContact C-N 3.33Å; P111-L113 PolarHBondContact O-N 3.35Å; P111-V114 PolarHBondContact O-N 3.39Å; P111-V114 VanDerWaalsContact O-N 3.11Å; P111-M115 WeakPolarHBondContact O-CB 3.49Å; P111-M115 WeakPolarHBondContact O-CG 3.44Å; P111-M115 PolarHBondContact O-N 3.42Å; P111-L127 HydrophobicContact CB-CD1 4.16Å; P111-L127 HydrophobicContact CG-CB 4.34Å; P111-L127 HydrophobicContact CG-CD1 4.21Å
112S95.9Very high95.9Very high78 Ų7837.1 Ų37.155%0.54522%0.221SC..Hα-helixtrans-60.5-37.9-179.657.50000113.1V110 A116V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 WeakPolarHBondContact CG1-OG 3.3Å; V110-S112 PolarHBondContact O-N 2.98Å; S112-A116 WeakPolarHBondContact O-CB 3.43Å; S112-A116 PolarHBondContact O-N 3.05Å
113L96.7Very high95.7Very high49 Ų4945.9 Ų45.926%0.25725%0.254SS..Hα-helixtrans-71.9-36.1175.7-66.6179.7000112.2L9 A107 V110 P111 R117 M223L9-L113 HydrophobicContact CD1-CD1 3.97Å; A107-L113 HydrophobicContact CB-CD1 3.85Å; V110-L113 HydrophobicContact CB-CB 4.32Å; V110-L113 HydrophobicContact CB-CD1 4.08Å; V110-L113 HydrophobicContact CB-CG 4.23Å; V110-L113 HydrophobicContact CG1-CB 4.31Å; V110-L113 HydrophobicContact CG1-CD1 4.1Å; V110-L113 HydrophobicContact CG1-CG 3.9Å; V110-L113 PolarHBondContact O-N 3.26Å; V110-L113 VanDerWaalsContact O-N 3.17Å; P111-L113 VanDerWaalsContact C-N 3.33Å; P111-L113 PolarHBondContact O-N 3.35Å; L113-R117 WeakPolarHBondContact O-CB 3.44Å; L113-R117 PolarHBondContact O-N 3.48Å; L113-R117 VanDerWaalsContact O-N 3.13Å; L113-M223 HydrophobicContact CD1-CG 4.24Å; L113-M223 HydrophobicContact CD1-SD 3.84Å
114V97.1Very high95.4Very high0 Ų046.7 Ų46.70%026%0.259CS..Hα-helixtrans-68.5-42.5177.1177.50000110.9V110 P111 H119 V121 L127 L226V110-V114 PolarHBondContact O-N 3.05Å; P111-V114 PolarHBondContact O-N 3.39Å; P111-V114 VanDerWaalsContact O-N 3.11Å; V114-H119 HydrophobicContact CG1-CB 3.71Å; V114-H119 WeakPolarHBondContact O-CB 3.16Å; V114-H119 PolarHBondContact O-N 3.49Å; V114-V121 HydrophobicContact CG1-CG1 3.7Å; V114-V121 HydrophobicContact CG1-CG2 4.26Å; V114-L127 HydrophobicContact CB-CD1 4.21Å; V114-L127 HydrophobicContact CG1-CD1 4.29Å; V114-L127 HydrophobicContact CG2-CD1 4.26Å; V114-L226 HydrophobicContact CG1-CB 3.97Å
115M96.3Very high95.1Very high87 Ų8751.2 Ų51.243%0.42929%0.288SS..Hα-helixtrans-63.9-47.8172.3-71.2174.1169.800112P111 R117 G118 V121P111-M115 WeakPolarHBondContact O-CB 3.49Å; P111-M115 WeakPolarHBondContact O-CG 3.44Å; P111-M115 PolarHBondContact O-N 3.42Å; M115-R117 PolarHBondContact O-N 3.05Å; M115-G118 WeakPolarHBondContact O-CA 3.32Å; M115-G118 PolarHBondContact O-N 3.26Å; M115-V121 HydrophobicContact CE-CG2 3.87Å; M115-V121 HydrophobicContact CG-CG2 3.43Å; M115-V121 VanDerWaalsContact CG-CG2 3.43Å; M115-V121 HydrophobicContact SD-CG2 4.49Å
116A96Very high94.9Very high87 Ų8757.7 Ų57.772%0.71932%0.319SS*.Hα-helixtrans-60.5-30.2179.600000113S112 G118S112-A116 WeakPolarHBondContact O-CB 3.43Å; S112-A116 PolarHBondContact O-N 3.05Å; A116-G118 PolarHBondContact O-N 3.15Å
117R94.8Very high94.8Very high54 Ų5458.9 Ų58.920%0.20432%0.324CS..THydrogen-bonded Turntrans-76.6-0.9172.5-171155.1164.3-70.6-25.7113.6L113 M115 H119 H222 M223 G224 R225L113-R117 WeakPolarHBondContact O-CB 3.44Å; L113-R117 PolarHBondContact O-N 3.48Å; L113-R117 VanDerWaalsContact O-N 3.13Å; M115-R117 PolarHBondContact O-N 3.05Å; R117-H119 PolarHBondContact NH1-CD2 3Å; R117-H119 PolarHBondContact NH1-NE2 3.4Å; R117-H222 VanDerWaalsContact CD-O 3.27Å; R117-H222 WeakPolarHBondContact CD-O 3.33Å; R117-H222 HydrophobicContact CG-CB 4.32Å; R117-H222 PolarHBondContact NE-O 3.04Å; R117-M223 WeakPolarHBondContact CD-O 3.19Å; R117-G224 WeakPolarHBondContact CB-O 3.17Å; R117-G224 WeakPolarHBondContact CD-O 3.44Å; R117-G224 PolarHBondContact NH1-O 3.42Å; R117-R225 VanDerWaalsContact NH1-CA 3.27Å; R117-R225 VanDerWaalsContact NH1-CB 3.29Å
118G95Very high94.7Very high40 Ų4059.4 Ų59.441%0.41233%0.328SS..THydrogen-bonded Turntrans79.329.7177.100000113.8M115 A116 K159M115-G118 WeakPolarHBondContact O-CA 3.32Å; M115-G118 PolarHBondContact O-N 3.26Å; A116-G118 PolarHBondContact O-N 3.15Å; G118-K159 WeakPolarHBondContact O-CD 3.15Å; G118-K159 PolarHBondContact O-NZ 2.9Å
119H97Very high94.7Very high7 Ų759.8 Ų59.83%0.03233%0.33CS..  trans-82.7137.5164.6-74.7-77.2000110.8V114 R117 V121 D156 G183 L226V114-H119 HydrophobicContact CG1-CB 3.71Å; V114-H119 WeakPolarHBondContact O-CB 3.16Å; V114-H119 PolarHBondContact O-N 3.49Å; R117-H119 PolarHBondContact NH1-CD2 3Å; R117-H119 PolarHBondContact NH1-NE2 3.4Å; H119-V121 HydrophobicContact CB-CG1 4.18Å; H119-V121 PolarHBondContact O-N 2.67Å; H119-D156 WeakPolarHBondContact CA-OD1 3.4Å; H119-D156 IonicContact CE1-OD2 3.36Å; H119-D156 PolarHBondContact CE1-OD2 2.94Å; H119-D156 IonicContact CG-OD1 2.67Å; H119-D156 IonicContact CG-OD2 3.03Å; H119-D156 VanDerWaalsContact ND1-CG 3.29Å; H119-D156 IonicContact ND1-OD1 2.81Å; H119-D156 PolarHBondContact ND1-OD1 3.26Å; H119-D156 VanDerWaalsContact ND1-OD1 3.16Å; H119-D156 IonicContact ND1-OD2 3.43Å; H119-D156 PolarHBondContact ND1-OD2 3.01Å; H119-G183 PolarHBondContact CE1-O 2.7Å; H119-L226 HydrophobicContact CB-CB 4.04Å; H119-L226 PolarHBondContact CD2-N 2.98Å
120R94.1Very high94.7Very high120 Ų12061.2 Ų61.245%0.45334%0.335SS..  trans-85.3102175.5-73.6178.8172.1178.5-7.8108.6P155 D156R120-P155 HydrophobicContact CB-CB 4.19Å; R120-P155 WeakPolarHBondContact CD-O 3.34Å; R120-D156 HydrophobicContact CB-CB 4.49Å; R120-D156 PolarHBondContact N-OD1 3.07Å
121V94Very high94.7Very high8 Ų860.4 Ų60.45%0.04833%0.329CS..  trans-124.11.1-174.7-68.50000113.7V114 M115 H119 R123 V124 L226V114-V121 HydrophobicContact CG1-CG1 3.7Å; V114-V121 HydrophobicContact CG1-CG2 4.26Å; M115-V121 HydrophobicContact CE-CG2 3.87Å; M115-V121 HydrophobicContact CG-CG2 3.43Å; M115-V121 VanDerWaalsContact CG-CG2 3.43Å; M115-V121 HydrophobicContact SD-CG2 4.49Å; H119-V121 HydrophobicContact CB-CG1 4.18Å; H119-V121 PolarHBondContact O-N 2.67Å; V121-R123 PolarHBondContact O-N 2.86Å; V121-V124 HydrophobicContact CB-CB 4.49Å; V121-V124 HydrophobicContact CB-CG2 4.27Å; V121-V124 HydrophobicContact CG1-CG2 4.4Å; V121-V124 WeakPolarHBondContact O-CB 3.38Å; V121-V124 PolarHBondContact O-N 3.3Å; V121-L226 HydrophobicContact CG1-CB 4.41Å; V121-L226 HydrophobicContact CG1-CD1 3.78Å; V121-L226 HydrophobicContact CG1-CD2 3.92Å; V121-L226 HydrophobicContact CG1-CG 4.24Å
122D91.4Very high94.7Very high121 Ų12160.2 Ų60.265%0.64733%0.329SS*.THydrogen-bonded Turntrans-59.4-17.9-171.9-27.6-49.3000114.4
123R91.3Very high94.7Very high184 Ų18462.9 Ų62.969%0.69433%0.331SS*.THydrogen-bonded Turntrans-112.3-3.5177.6-61.4-173.8-180-173-1.6114V121 R152V121-R123 PolarHBondContact O-N 2.86Å; R123-R152 HydrophobicContact CB-CB 4.1Å; R123-R152 WeakPolarHBondContact O-CD 3.43Å
124V92.1Very high94.6Very high17 Ų1767.1 Ų67.110%0.10335%0.349CS..SBendtrans-74.1134.8178.2177.30000107.8V121 E126 L127 L129V121-V124 HydrophobicContact CB-CB 4.49Å; V121-V124 HydrophobicContact CB-CG2 4.27Å; V121-V124 HydrophobicContact CG1-CG2 4.4Å; V121-V124 WeakPolarHBondContact O-CB 3.38Å; V121-V124 PolarHBondContact O-N 3.3Å; V124-E126 PolarHBondContact O-N 3.37Å; V124-L127 HydrophobicContact CG1-CD2 4.46Å; V124-L129 HydrophobicContact CG1-CD1 4.29Å; V124-L129 HydrophobicContact CG1-CD2 4.01Å
125P90.8Very high94.5Very high96 Ų9667.8 Ų67.862%0.62335%0.353SS*.SBendtrans-60.8-45.5-17121.8-33.9000113.5
126E93.7Very high94.4Very high135 Ų13563.9 Ų63.963%0.63133%0.334SS*.  trans-157.2168.1-179.757.9174.2-167.300111.8V124V124-E126 PolarHBondContact O-N 3.37Å
127L94.1Very high94.4Very high28 Ų2862.8 Ų62.815%0.14732%0.321CS..SBendtrans-133.9137.3172-68.7172.8000109.8P111 V114 V124 L129 L226P111-L127 HydrophobicContact CB-CD1 4.16Å; P111-L127 HydrophobicContact CG-CB 4.34Å; P111-L127 HydrophobicContact CG-CD1 4.21Å; V114-L127 HydrophobicContact CB-CD1 4.21Å; V114-L127 HydrophobicContact CG1-CD1 4.29Å; V114-L127 HydrophobicContact CG2-CD1 4.26Å; V124-L127 HydrophobicContact CG1-CD2 4.46Å; L127-L129 HydrophobicContact CD2-CB 4.14Å; L127-L226 HydrophobicContact CD2-CD1 3.83Å
128P95.5Very high94.5Very high12 Ų1261.9 Ų61.98%0.07832%0.32CS..SBendcis-72.41363.5-7.422.5000112.6M1 F5 V130 F234M1-P128 HydrophobicContact CE-CG 3.72Å; M1-P128 HydrophobicContact SD-CG 4.23Å; F5-P128 HydrophobicContact CD1-CG 3.88Å; F5-P128 HydrophobicContact CE1-CB 3.98Å; F5-P128 HydrophobicContact CE1-CG 3.4Å; F5-P128 HydrophobicContact CE2-CG 4.2Å; F5-P128 HydrophobicContact CG-CG 4.46Å; F5-P128 HydrophobicContact CZ-CB 3.92Å; F5-P128 HydrophobicContact CZ-CG 3.59Å; P128-V130 PolarHBondContact O-N 2.87Å; P128-F234 HydrophobicContact CB-CE2 4.08Å; P128-F234 HydrophobicContact CG-CE2 4.22Å; P128-F234 HydrophobicContact CG-CZ 4.34Å
129L95.8Very high94.5Very high7 Ų767.9 Ų67.94%0.03734%0.335CS..EExtended strand (participates in β ladder)trans-78.6115.8-178.1176.462000110.9V124 L127 L131 I151 I228 W229V124-L129 HydrophobicContact CG1-CD1 4.29Å; V124-L129 HydrophobicContact CG1-CD2 4.01Å; L127-L129 HydrophobicContact CD2-CB 4.14Å; L129-L131 HydrophobicContact CD1-CD2 4.27Å; L129-L131 HydrophobicContact CG-CD2 4.42Å; L129-I151 HydrophobicContact CD1-CG2 3.6Å; L129-I151 HydrophobicContact CD2-CG2 3.4Å; L129-I151 VanDerWaalsContact CD2-CG2 3.4Å; L129-I151 HydrophobicContact CG-CG2 4.02Å; L129-I228 HydrophobicContact CD2-CG1 3.98Å; L129-W229 PolarHBondContact O-N 3.13Å
130V96.7Very high94.4Very high50 Ų5074.7 Ų74.730%0.30336%0.364SS..EExtended strand (participates in β ladder)trans-114.3137.8179.4-171.10000110.2P128 W229 D231 F234P128-V130 PolarHBondContact O-N 2.87Å; V130-W229 CarbonylContact C-O 3.59Å; V130-W229 WeakPolarHBondContact CA-O 3.41Å; V130-W229 HydrophobicContact CG2-CB 4.35Å; V130-D231 HydrophobicContact CG1-CB 4.22Å; V130-F234 HydrophobicContact CG1-CB 4.14Å; V130-F234 HydrophobicContact CG1-CD1 4.46Å; V130-F234 HydrophobicContact CG1-CG 4.31Å; V130-F234 HydrophobicContact CG2-CB 4.41Å; V130-F234 HydrophobicContact CG2-CD1 3.86Å; V130-F234 HydrophobicContact CG2-CD2 3.72Å; V130-F234 HydrophobicContact CG2-CE1 3.86Å; V130-F234 HydrophobicContact CG2-CE2 3.74Å; V130-F234 HydrophobicContact CG2-CG 3.77Å; V130-F234 HydrophobicContact CG2-CZ 3.8Å
131L95.5Very high94.6Very high25 Ų2571.3 Ų71.313%0.13136%0.357CS..EExtended strand (participates in β ladder)trans-120.7160.4-179.3-53.2-178.4000112L129 V135 V147 I151 I228 W229 S230 D231L129-L131 HydrophobicContact CD1-CD2 4.27Å; L129-L131 HydrophobicContact CG-CD2 4.42Å; L131-V135 HydrophobicContact CB-CG2 3.88Å; L131-V135 HydrophobicContact CD1-CG1 4.24Å; L131-V135 HydrophobicContact CD1-CG2 3.94Å; L131-V147 HydrophobicContact CD1-CG1 4.34Å; L131-I151 HydrophobicContact CD1-CD1 3.41Å; L131-I151 VanDerWaalsContact CD1-CD1 3.41Å; L131-I151 HydrophobicContact CD2-CD1 3.37Å; L131-I151 HydrophobicContact CD2-CG1 3.78Å; L131-I151 HydrophobicContact CD2-CG2 4.28Å; L131-I151 HydrophobicContact CG-CD1 4.03Å; L131-I228 HydrophobicContact CD1-CG2 3.27Å; L131-I228 HydrophobicContact CG-CG2 3.76Å; L131-W229 PolarHBondContact N-O 3.12Å; L131-S230 CarbonylContact O-C 3.52Å; L131-D231 PolarHBondContact O-N 2.66Å
132S95.8Very high94.7Very high59 Ų5978.5 Ų78.541%0.41339%0.388SS..  trans-52.3148.1171.41790000111.8E134 V135S132-E134 PolarHBondContact O-N 2.77Å; S132-E134 PolarHBondContact OG-N 3.48Å; S132-E134 PolarHBondContact OG-OE1 3.46Å; S132-V135 WeakPolarHBondContact O-CG2 3.44Å; S132-V135 PolarHBondContact O-N 3.2Å
133K95Very high95Very high134 Ų13475.1 Ų75.158%0.58337%0.37SS*.G310 helixtrans-56.2-26.5173.8179.8-174.3168.1-1550112.4V135 E136K133-V135 PolarHBondContact O-N 3.32Å; K133-V135 VanDerWaalsContact O-N 3.13Å; K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.25Å; K133-E136 WeakPolarHBondContact O-CG 3.41Å; K133-E136 PolarHBondContact O-N 2.79Å
134E94.6Very high95.2Very high138 Ų13866.4 Ų66.465%0.64534%0.337SS*.G310 helixtrans-56.8-24.2176.3-70.3152.4-123.600114S132 E136 S137S132-E134 PolarHBondContact O-N 2.77Å; S132-E134 PolarHBondContact OG-N 3.48Å; S132-E134 PolarHBondContact OG-OE1 3.46Å; E134-E136 PolarHBondContact O-N 2.77Å; E134-E136 VanDerWaalsContact O-N 3.1Å; E134-S137 PolarHBondContact O-N 3.16Å; E134-S137 PolarHBondContact O-OG 3.49Å
135V95Very high95.4Very high15 Ų1567 Ų679%0.09134%0.341CS..G310 helixtrans-61.3-22175.1-179.50000111.8L131 S132 K133 L138 V147 I194 F198L131-V135 HydrophobicContact CB-CG2 3.88Å; L131-V135 HydrophobicContact CD1-CG1 4.24Å; L131-V135 HydrophobicContact CD1-CG2 3.94Å; S132-V135 WeakPolarHBondContact O-CG2 3.44Å; S132-V135 PolarHBondContact O-N 3.2Å; K133-V135 PolarHBondContact O-N 3.32Å; K133-V135 VanDerWaalsContact O-N 3.13Å; V135-L138 HydrophobicContact CB-CD1 4.4Å; V135-L138 HydrophobicContact CG1-CD1 4.04Å; V135-V147 HydrophobicContact CG2-CG1 4.28Å; V135-I194 HydrophobicContact CG1-CD1 4.17Å; V135-I194 WeakPolarHBondContact O-CD1 3.4Å; V135-I194 WeakPolarHBondContact O-CG1 3.21Å; V135-F198 HydrophobicContact CG1-CE2 4.12Å; V135-F198 HydrophobicContact CG1-CZ 3.98Å
136E95.1Very high95.7Very high5 Ų568.1 Ų68.12%0.02334%0.336CS..G310 helixtrans-72.2-25176.6-56.4-167.1140.200113.7K133 E134 Y188 K189 D192 I194 S230 S232K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.25Å; K133-E136 WeakPolarHBondContact O-CG 3.41Å; K133-E136 PolarHBondContact O-N 2.79Å; E134-E136 PolarHBondContact O-N 2.77Å; E134-E136 VanDerWaalsContact O-N 3.1Å; E136-Y188 WeakPolarHBondContact OE1-CA 3.33Å; E136-Y188 WeakPolarHBondContact OE1-CB 3.33Å; E136-K189 PolarHBondContact OE1-N 2.85Å; E136-D192 CarbonylContact O-C 3.44Å; E136-D192 PolarHBondContact O-N 3.21Å; E136-I194 PolarHBondContact O-N 3.14Å; E136-S230 WeakPolarHBondContact OE1-CB 3.47Å; E136-S230 PolarHBondContact OE1-OG 2.67Å; E136-S232 PolarHBondContact OE1-OG 3.11Å; E136-S232 PolarHBondContact OE2-OG 3.23Å
137S95.8Very high95.8Very high63 Ų6363.5 Ų63.544%0.44132%0.317SS..G310 helixtrans-98.10.7-177.961.10000114.4E134 K139E134-S137 PolarHBondContact O-N 3.16Å; E134-S137 PolarHBondContact O-OG 3.49Å; S137-K139 PolarHBondContact O-N 3.17Å
138L95.2Very high95.8Very high36 Ų3662.3 Ų62.319%0.18831%0.31CS..  trans-61.4122.2176.2-67174.4000111.1V135 D143 V147 G193 I194 A197 F198V135-L138 HydrophobicContact CB-CD1 4.4Å; V135-L138 HydrophobicContact CG1-CD1 4.04Å; L138-D143 HydrophobicContact CD2-CB 4.26Å; L138-V147 HydrophobicContact CD1-CG2 4.03Å; L138-G193 CarbonylContact O-C 3.46Å; L138-I194 PolarHBondContact O-N 3.33Å; L138-A197 HydrophobicContact CB-CB 4.29Å; L138-A197 VanDerWaalsContact O-CB 3.23Å; L138-A197 WeakPolarHBondContact O-CB 3.41Å; L138-F198 HydrophobicContact CD1-CE2 4.04Å; L138-F198 HydrophobicContact CD1-CZ 4.3Å
139K95.2Very high95.8Very high166 Ų16667.2 Ų67.272%0.72233%0.33SS*.  trans-98.7-33.6-177.3-62.8179.7-176.4174.40114.3S137S137-K139 PolarHBondContact O-N 3.17Å
140K96.8Very high95.8Very high150 Ų15070.7 Ų70.765%0.65236%0.36SS*.  trans-102.8140.4-174.8-59.8-85.3-172.5171.50111.1K142 D143 A144K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 2.87Å; K140-D143 WeakPolarHBondContact CB-OD2 3.34Å; K140-D143 PolarHBondContact O-N 3.41Å; K140-A144 PolarHBondContact O-N 2.72Å
141T97.3Very high95.7Very high49 Ų4969.4 Ų69.430%0.30135%0.351SS..Hα-helixtrans-65-30.2177-57.80000113D143 A144 V145 A197 I201T141-D143 VanDerWaalsContact C-N 3.27Å; T141-D143 PolarHBondContact O-N 3.34Å; T141-A144 PolarHBondContact O-N 3.26Å; T141-V145 HydrophobicContact CG2-CG2 4.42Å; T141-V145 WeakPolarHBondContact O-CG2 3.34Å; T141-V145 PolarHBondContact O-N 3.49Å; T141-A197 WeakPolarHBondContact CA-O 3.46Å; T141-A197 VanDerWaalsContact CB-O 3.3Å; T141-A197 WeakPolarHBondContact CB-O 3.45Å; T141-A197 WeakPolarHBondContact CG2-O 3.47Å; T141-A197 PolarHBondContact OG1-O 3.13Å; T141-I201 HydrophobicContact CG2-CD1 4.11Å; T141-I201 HydrophobicContact CG2-CG1 3.73Å
142K96.9Very high95.6Very high159 Ų15975.5 Ų75.569%0.69137%0.373SS*.Hα-helixtrans-55.6-42.7174.4-172.2176.4-178.1178.70111.5K140 V145 K146K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 2.87Å; K142-V145 PolarHBondContact O-N 3.09Å; K142-K146 PolarHBondContact O-N 2.98Å
143D96Very high95.6Very high50 Ų5072.7 Ų72.727%0.26735%0.353SS..Hα-helixtrans-79.9-35.7-176.7-53.6-49.9000112L138 K140 T141 V145 K146 V147L138-D143 HydrophobicContact CD2-CB 4.26Å; K140-D143 WeakPolarHBondContact CB-OD2 3.34Å; K140-D143 PolarHBondContact O-N 3.41Å; T141-D143 VanDerWaalsContact C-N 3.27Å; T141-D143 PolarHBondContact O-N 3.34Å; D143-V145 VanDerWaalsContact C-N 3.27Å; D143-V145 PolarHBondContact O-N 3.22Å; D143-K146 WeakPolarHBondContact O-CB 3.4Å; D143-K146 PolarHBondContact O-N 3.32Å; D143-K146 VanDerWaalsContact O-N 3.14Å; D143-K146 IonicContact OD1-NZ 2.61Å; D143-K146 PolarHBondContact OD1-NZ 3.1Å; D143-V147 WeakPolarHBondContact O-CG2 3.3Å; D143-V147 PolarHBondContact O-N 3.37Å
144A96Very high95.6Very high0 Ų068.7 Ų68.70%033%0.334CS..Hα-helixtrans-56.7-40.1166.900000112.3K140 T141 V147 L148 A197 F198 I201K140-A144 PolarHBondContact O-N 2.72Å; T141-A144 PolarHBondContact O-N 3.26Å; A144-V147 PolarHBondContact O-N 2.96Å; A144-L148 WeakPolarHBondContact O-CD1 3.41Å; A144-L148 VanDerWaalsContact O-CG 3.26Å; A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.18Å; A144-A197 HydrophobicContact CB-CB 4.1Å; A144-F198 HydrophobicContact CB-CD1 4.07Å; A144-F198 HydrophobicContact CB-CD2 3.78Å; A144-F198 HydrophobicContact CB-CE1 3.89Å; A144-F198 HydrophobicContact CB-CE2 3.58Å; A144-F198 HydrophobicContact CB-CG 4.03Å; A144-F198 HydrophobicContact CB-CZ 3.65Å; A144-I201 HydrophobicContact CB-CD1 4.1Å
145V96.7Very high95.6Very high31 Ų3163.7 Ų63.719%0.18831%0.314CS..Hα-helixtrans-66-40.9174.31680000112.1T141 K142 D143 L148 K149 W154 I201T141-V145 HydrophobicContact CG2-CG2 4.42Å; T141-V145 WeakPolarHBondContact O-CG2 3.34Å; T141-V145 PolarHBondContact O-N 3.49Å; K142-V145 PolarHBondContact O-N 3.09Å; D143-V145 VanDerWaalsContact C-N 3.27Å; D143-V145 PolarHBondContact O-N 3.22Å; V145-L148 PolarHBondContact O-N 3.13Å; V145-K149 HydrophobicContact CG1-CD 4.36Å; V145-K149 WeakPolarHBondContact O-CG 3.47Å; V145-K149 PolarHBondContact O-N 3.39Å; V145-W154 HydrophobicContact CB-CZ3 4.31Å; V145-W154 HydrophobicContact CG1-CE3 4.32Å; V145-W154 HydrophobicContact CG1-CH2 3.81Å; V145-W154 HydrophobicContact CG1-CZ3 3.67Å; V145-W154 HydrophobicContact CG2-CH2 4.27Å; V145-W154 HydrophobicContact CG2-CZ3 4.01Å; V145-I201 HydrophobicContact CG2-CD1 3.78Å; V145-I201 HydrophobicContact CG2-CG1 4.3Å
146K96.7Very high95.6Very high119 Ų11963 Ų6352%0.51731%0.309SS..Hα-helixtrans-57.8-49.6173.8-70.4174.5-176161.60111.1K142 D143 L148 K149 A150K142-K146 PolarHBondContact O-N 2.98Å; D143-K146 WeakPolarHBondContact O-CB 3.4Å; D143-K146 PolarHBondContact O-N 3.32Å; D143-K146 VanDerWaalsContact O-N 3.14Å; D143-K146 IonicContact OD1-NZ 2.61Å; D143-K146 PolarHBondContact OD1-NZ 3.1Å; K146-L148 PolarHBondContact O-N 3.31Å; K146-K149 WeakPolarHBondContact O-CB 3.42Å; K146-K149 PolarHBondContact O-N 2.95Å; K146-K149 VanDerWaalsContact O-N 3.13Å; K146-A150 PolarHBondContact O-N 3.07Å
147V95.7Very high95.7Very high38 Ų3862.7 Ų62.723%0.2331%0.308CS..Hα-helixtrans-58.1-48.2178.91700000111L131 V135 L138 D143 A144 K149 A150 I151L131-V147 HydrophobicContact CD1-CG1 4.34Å; V135-V147 HydrophobicContact CG2-CG1 4.28Å; L138-V147 HydrophobicContact CD1-CG2 4.03Å; D143-V147 WeakPolarHBondContact O-CG2 3.3Å; D143-V147 PolarHBondContact O-N 3.37Å; A144-V147 PolarHBondContact O-N 2.96Å; V147-K149 VanDerWaalsContact C-N 3.26Å; V147-K149 PolarHBondContact O-N 2.95Å; V147-A150 PolarHBondContact O-N 3.38Å; V147-I151 HydrophobicContact CG1-CD1 3.48Å; V147-I151 VanDerWaalsContact CG1-CD1 3.48Å; V147-I151 HydrophobicContact CG1-CG1 4.46Å; V147-I151 VanDerWaalsContact O-CD1 3.24Å; V147-I151 WeakPolarHBondContact O-CD1 3.37Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.46Å; V147-I151 PolarHBondContact O-N 3.12Å
148L95.3Very high95.7Very high2 Ų263.7 Ų63.71%0.0131%0.306CS..Hα-helixtrans-62.9-28.4177.7-70.7161.8000114.2A144 V145 K146 A153 W154 I157 F198 I201 I204 I228A144-L148 WeakPolarHBondContact O-CD1 3.41Å; A144-L148 VanDerWaalsContact O-CG 3.26Å; A144-L148 WeakPolarHBondContact O-CG 3.41Å; A144-L148 PolarHBondContact O-N 3.18Å; V145-L148 PolarHBondContact O-N 3.13Å; K146-L148 PolarHBondContact O-N 3.31Å; L148-A153 HydrophobicContact CD2-CB 4.44Å; L148-A153 PolarHBondContact O-N 3.17Å; L148-A153 VanDerWaalsContact O-N 3.08Å; L148-W154 HydrophobicContact CB-CE3 4.46Å; L148-W154 PolarHBondContact O-N 2.81Å; L148-W154 VanDerWaalsContact O-N 3.13Å; L148-I157 HydrophobicContact CB-CD1 4.16Å; L148-I157 HydrophobicContact CD1-CD1 3.72Å; L148-I157 HydrophobicContact CD2-CD1 4.11Å; L148-I157 HydrophobicContact CG-CD1 4.22Å; L148-F198 HydrophobicContact CD1-CD1 4.02Å; L148-F198 HydrophobicContact CD1-CE1 3.69Å; L148-F198 HydrophobicContact CD2-CE1 4.17Å; L148-F198 HydrophobicContact CG-CE1 3.91Å; L148-I201 HydrophobicContact CD1-CD1 3.73Å; L148-I204 HydrophobicContact CD1-CD1 3.49Å; L148-I204 VanDerWaalsContact CD1-CD1 3.49Å; L148-I204 HydrophobicContact CD2-CD1 4.39Å; L148-I228 HydrophobicContact CD2-CD1 3.72Å
149K95.5Very high95.7Very high115 Ų11562.9 Ų62.950%0.530%0.301SS..Hα-helixtrans-74.9-45.5171.7-75180175.9-170.70111.8V145 K146 V147 I151 R152 W154V145-K149 HydrophobicContact CG1-CD 4.36Å; V145-K149 WeakPolarHBondContact O-CG 3.47Å; V145-K149 PolarHBondContact O-N 3.39Å; K146-K149 WeakPolarHBondContact O-CB 3.42Å; K146-K149 PolarHBondContact O-N 2.95Å; K146-K149 VanDerWaalsContact O-N 3.13Å; V147-K149 VanDerWaalsContact C-N 3.26Å; V147-K149 PolarHBondContact O-N 2.95Å; K149-I151 VanDerWaalsContact C-N 3.3Å; K149-I151 PolarHBondContact O-N 3.35Å; K149-R152 WeakPolarHBondContact O-CA 3.44Å; K149-R152 PolarHBondContact O-N 3.15Å; K149-W154 HydrophobicContact CG-CB 3.91Å; K149-W154 HydrophobicContact CG-CD2 3.86Å; K149-W154 HydrophobicContact CG-CE3 4.12Å; K149-W154 HydrophobicContact CG-CG 3.76Å
150A95.3Very high95.8Very high81 Ų8155 Ų5567%0.66927%0.267SS*.Hα-helixtrans-58-41.8178.400000112.2K146 V147 R152K146-A150 PolarHBondContact O-N 3.07Å; V147-A150 PolarHBondContact O-N 3.38Å; A150-R152 PolarHBondContact O-N 3.42Å
151I94.2Very high95.8Very high23 Ų2352.9 Ų52.912%0.11826%0.255CS..THydrogen-bonded Turntrans-77.63.3177.5-50.8151.6000112.5L129 L131 V147 K149 A153L129-I151 HydrophobicContact CD1-CG2 3.6Å; L129-I151 HydrophobicContact CD2-CG2 3.4Å; L129-I151 VanDerWaalsContact CD2-CG2 3.4Å; L129-I151 HydrophobicContact CG-CG2 4.02Å; L131-I151 HydrophobicContact CD1-CD1 3.41Å; L131-I151 VanDerWaalsContact CD1-CD1 3.41Å; L131-I151 HydrophobicContact CD2-CD1 3.37Å; L131-I151 HydrophobicContact CD2-CG1 3.78Å; L131-I151 HydrophobicContact CD2-CG2 4.28Å; L131-I151 HydrophobicContact CG-CD1 4.03Å; V147-I151 HydrophobicContact CG1-CD1 3.48Å; V147-I151 VanDerWaalsContact CG1-CD1 3.48Å; V147-I151 HydrophobicContact CG1-CG1 4.46Å; V147-I151 VanDerWaalsContact O-CD1 3.24Å; V147-I151 WeakPolarHBondContact O-CD1 3.37Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.46Å; V147-I151 PolarHBondContact O-N 3.12Å; K149-I151 VanDerWaalsContact C-N 3.3Å; K149-I151 PolarHBondContact O-N 3.35Å; I151-A153 PolarHBondContact O-N 2.81Å; I151-A153 VanDerWaalsContact O-N 3.08Å
152R94.4Very high95.7Very high152 Ų15257.3 Ų57.357%0.57428%0.277SS*.THydrogen-bonded Turntrans59.320.8-179.8-52.9166.1177.2179.7-0.6113.9R123 K149 A150 P155R123-R152 HydrophobicContact CB-CB 4.1Å; R123-R152 WeakPolarHBondContact O-CD 3.43Å; K149-R152 WeakPolarHBondContact O-CA 3.44Å; K149-R152 PolarHBondContact O-N 3.15Å; A150-R152 PolarHBondContact O-N 3.42Å; R152-P155 WeakPolarHBondContact O-CD 3.46Å
153A94.2Very high95.7Very high0 Ų050.7 Ų50.70%025%0.251CS..  trans-83.5-11.417600000113.3L148 I151 D156 I228L148-A153 HydrophobicContact CD2-CB 4.44Å; L148-A153 PolarHBondContact O-N 3.17Å; L148-A153 VanDerWaalsContact O-N 3.08Å; I151-A153 PolarHBondContact O-N 2.81Å; I151-A153 VanDerWaalsContact O-N 3.08Å; A153-D156 WeakPolarHBondContact O-CB 3.16Å; A153-D156 PolarHBondContact O-N 2.84Å; A153-D156 VanDerWaalsContact O-N 3.12Å; A153-I228 HydrophobicContact CB-CD1 4.49Å
154W95.3Very high95.7Very high50 Ų5052.6 Ų52.619%0.18926%0.258CS..Hα-helixtrans-53-37.3178.3-167.1-109000115.8V145 L148 K149 D156 I157 Q158 Y161V145-W154 HydrophobicContact CB-CZ3 4.31Å; V145-W154 HydrophobicContact CG1-CE3 4.32Å; V145-W154 HydrophobicContact CG1-CH2 3.81Å; V145-W154 HydrophobicContact CG1-CZ3 3.67Å; V145-W154 HydrophobicContact CG2-CH2 4.27Å; V145-W154 HydrophobicContact CG2-CZ3 4.01Å; L148-W154 HydrophobicContact CB-CE3 4.46Å; L148-W154 PolarHBondContact O-N 2.81Å; L148-W154 VanDerWaalsContact O-N 3.13Å; K149-W154 HydrophobicContact CG-CB 3.91Å; K149-W154 HydrophobicContact CG-CD2 3.86Å; K149-W154 HydrophobicContact CG-CE3 4.12Å; K149-W154 HydrophobicContact CG-CG 3.76Å; W154-D156 PolarHBondContact O-N 2.75Å; W154-I157 HydrophobicContact CE3-CB 4.35Å; W154-I157 HydrophobicContact CE3-CD1 3.98Å; W154-I157 HydrophobicContact CE3-CG2 4.39Å; W154-I157 HydrophobicContact CH2-CG2 4.47Å; W154-I157 HydrophobicContact CZ3-CD1 4.26Å; W154-I157 HydrophobicContact CZ3-CG2 4.13Å; W154-I157 WeakPolarHBondContact O-CA 3.37Å; W154-I157 WeakPolarHBondContact O-CB 3.41Å; W154-I157 PolarHBondContact O-N 2.86Å; W154-Q158 VanDerWaalsContact CD1-CD 3.41Å; W154-Q158 HydrophobicContact CG-CG 4.43Å; W154-Q158 PolarHBondContact O-N 3.36Å; W154-Y161 HydrophobicContact CH2-CE2 4.49Å
155P95.3Very high95.7Very high33 Ų3361 Ų6121%0.21429%0.29CS..Hα-helixtrans-58.3-31.3176.1-26.137000113.9R120 R152 I157 K159R120-P155 HydrophobicContact CB-CB 4.19Å; R120-P155 WeakPolarHBondContact CD-O 3.34Å; R152-P155 WeakPolarHBondContact O-CD 3.46Å; P155-I157 VanDerWaalsContact C-N 3.3Å; P155-K159 WeakPolarHBondContact O-CB 3.43Å; P155-K159 PolarHBondContact O-N 3.3Å; P155-K159 VanDerWaalsContact O-N 3.08Å
156D95.7Very high95.7Very high0 Ų064.4 Ų64.40%030%0.302CS..Hα-helixtrans-70.8-28.1176-160.760.7000112.6H119 R120 A153 W154 K159 G183 P184 L226H119-D156 WeakPolarHBondContact CA-OD1 3.4Å; H119-D156 IonicContact CE1-OD2 3.36Å; H119-D156 PolarHBondContact CE1-OD2 2.94Å; H119-D156 IonicContact CG-OD1 2.67Å; H119-D156 IonicContact CG-OD2 3.03Å; H119-D156 VanDerWaalsContact ND1-CG 3.29Å; H119-D156 IonicContact ND1-OD1 2.81Å; H119-D156 PolarHBondContact ND1-OD1 3.26Å; H119-D156 VanDerWaalsContact ND1-OD1 3.16Å; H119-D156 IonicContact ND1-OD2 3.43Å; H119-D156 PolarHBondContact ND1-OD2 3.01Å; R120-D156 HydrophobicContact CB-CB 4.49Å; R120-D156 PolarHBondContact N-OD1 3.07Å; A153-D156 WeakPolarHBondContact O-CB 3.16Å; A153-D156 PolarHBondContact O-N 2.84Å; A153-D156 VanDerWaalsContact O-N 3.12Å; W154-D156 PolarHBondContact O-N 2.75Å; D156-K159 WeakPolarHBondContact O-CB 3.28Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.7Å; D156-K159 PolarHBondContact OD1-NZ 3.43Å; D156-K159 IonicContact OD2-NZ 2.86Å; D156-G183 WeakPolarHBondContact OD2-CA 3.12Å; D156-P184 WeakPolarHBondContact OD2-CD 3.33Å; D156-L226 HydrophobicContact CB-CD2 4.07Å
157I96Very high95.7Very high0 Ų063.5 Ų63.50%030%0.295CS..Hα-helixtrans-82.4-40.7176.5-61.6165.7000110.4L148 W154 P155 K159 V160 Y161 P184 I201 I204L148-I157 HydrophobicContact CB-CD1 4.16Å; L148-I157 HydrophobicContact CD1-CD1 3.72Å; L148-I157 HydrophobicContact CD2-CD1 4.11Å; L148-I157 HydrophobicContact CG-CD1 4.22Å; W154-I157 HydrophobicContact CE3-CB 4.35Å; W154-I157 HydrophobicContact CE3-CD1 3.98Å; W154-I157 HydrophobicContact CE3-CG2 4.39Å; W154-I157 HydrophobicContact CH2-CG2 4.47Å; W154-I157 HydrophobicContact CZ3-CD1 4.26Å; W154-I157 HydrophobicContact CZ3-CG2 4.13Å; W154-I157 WeakPolarHBondContact O-CA 3.37Å; W154-I157 WeakPolarHBondContact O-CB 3.41Å; W154-I157 PolarHBondContact O-N 2.86Å; P155-I157 VanDerWaalsContact C-N 3.3Å; I157-K159 VanDerWaalsContact C-N 3.25Å; I157-K159 PolarHBondContact O-N 2.84Å; I157-V160 WeakPolarHBondContact O-CA 3.38Å; I157-V160 VanDerWaalsContact O-CB 3.28Å; I157-V160 WeakPolarHBondContact O-CB 3.49Å; I157-V160 PolarHBondContact O-N 2.82Å; I157-Y161 HydrophobicContact CG2-CD2 4Å; I157-Y161 HydrophobicContact CG2-CE2 3.74Å; I157-Y161 WeakPolarHBondContact O-CD2 3.41Å; I157-Y161 PolarHBondContact O-N 2.81Å; I157-Y161 VanDerWaalsContact O-N 3.07Å; I157-P184 HydrophobicContact CD1-CG 4.36Å; I157-P184 HydrophobicContact CG1-CG 4.18Å; I157-I201 HydrophobicContact CD1-CG2 4.38Å; I157-I201 HydrophobicContact CG2-CG2 3.93Å; I157-I204 HydrophobicContact CD1-CD1 3.89Å; I157-I204 HydrophobicContact CD1-CG1 4.39Å
158Q95.6Very high95.8Very high83 Ų8366 Ų6639%0.38832%0.32SS..Hα-helixtrans-57.2-40.7171.1-70.2175.2-67.200111.3W154 V160 Y161 N162W154-Q158 VanDerWaalsContact CD1-CD 3.41Å; W154-Q158 HydrophobicContact CG-CG 4.43Å; W154-Q158 PolarHBondContact O-N 3.36Å; Q158-V160 PolarHBondContact O-N 3.42Å; Q158-Y161 PolarHBondContact O-N 2.87Å; Q158-N162 PolarHBondContact O-N 3.13Å; Q158-N162 PolarHBondContact O-OD1 2.67Å
159K96Very high95.8Very high20 Ų2068.8 Ų68.89%0.08735%0.349CS..Hα-helixtrans-56.9-29.7170.5-178.6-155.774.4-174.30113.1G118 P155 D156 I157 S163 K181G118-K159 WeakPolarHBondContact O-CD 3.15Å; G118-K159 PolarHBondContact O-NZ 2.9Å; P155-K159 WeakPolarHBondContact O-CB 3.43Å; P155-K159 PolarHBondContact O-N 3.3Å; P155-K159 VanDerWaalsContact O-N 3.08Å; D156-K159 WeakPolarHBondContact O-CB 3.28Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.7Å; D156-K159 PolarHBondContact OD1-NZ 3.43Å; D156-K159 IonicContact OD2-NZ 2.86Å; I157-K159 VanDerWaalsContact C-N 3.25Å; I157-K159 PolarHBondContact O-N 2.84Å; K159-S163 VanDerWaalsContact O-CB 3.3Å; K159-S163 WeakPolarHBondContact O-CB 3.27Å; K159-S163 PolarHBondContact O-OG 2.8Å; K159-K181 HydrophobicContact CD-CD 4.26Å; K159-K181 HydrophobicContact CG-CD 4.04Å
160V97.2Very high95.9Very high0 Ų071.3 Ų71.30%036%0.36CS..Hα-helixtrans-74.4-51173.5179.10000111I157 Q158 N162 S163 Q164 Q180 K181 P202I157-V160 WeakPolarHBondContact O-CA 3.38Å; I157-V160 VanDerWaalsContact O-CB 3.28Å; I157-V160 WeakPolarHBondContact O-CB 3.49Å; I157-V160 PolarHBondContact O-N 2.82Å; Q158-V160 PolarHBondContact O-N 3.42Å; V160-N162 PolarHBondContact O-N 2.93Å; V160-S163 PolarHBondContact O-N 3.26Å; V160-S163 PolarHBondContact O-OG 3.14Å; V160-Q164 PolarHBondContact O-N 3.12Å; V160-Q180 HydrophobicContact CG1-CB 4.11Å; V160-Q180 HydrophobicContact CG1-CG 4.09Å; V160-K181 WeakPolarHBondContact CG1-O 3.48Å; V160-P202 HydrophobicContact CG1-CB 4Å
161Y95.9Very high96Very high106 Ų10668.4 Ų68.442%0.41634%0.338SS..Hα-helixtrans-51.5-53.2177-80.2-80.5000111.3W154 I157 Q158 S163 Q164 P202W154-Y161 HydrophobicContact CH2-CE2 4.49Å; I157-Y161 HydrophobicContact CG2-CD2 4Å; I157-Y161 HydrophobicContact CG2-CE2 3.74Å; I157-Y161 WeakPolarHBondContact O-CD2 3.41Å; I157-Y161 PolarHBondContact O-N 2.81Å; I157-Y161 VanDerWaalsContact O-N 3.07Å; Q158-Y161 PolarHBondContact O-N 2.87Å; Y161-S163 PolarHBondContact O-N 3.34Å; Y161-Q164 WeakPolarHBondContact O-CG 3.38Å; Y161-Q164 PolarHBondContact O-N 3Å; Y161-Q164 VanDerWaalsContact O-N 3.15Å; Y161-P202 HydrophobicContact CD1-CG 4.3Å; Y161-P202 HydrophobicContact CE1-CG 3.69Å; Y161-P202 HydrophobicContact CE2-CG 4.24Å; Y161-P202 VanDerWaalsContact OH-CD 3.27Å; Y161-P202 WeakPolarHBondContact OH-CD 3.32Å
162N96.5Very high96.1Very high142 Ų14272.4 Ų72.476%0.75936%0.355SS*.THydrogen-bonded Turntrans-67-7.1-179.5-60.116.1000113.8Q158 V160Q158-N162 PolarHBondContact O-N 3.13Å; Q158-N162 PolarHBondContact O-OD1 2.67Å; V160-N162 PolarHBondContact O-N 2.93Å
163S96.4Very high96.2Very high20 Ų2072.3 Ų72.314%0.1436%0.363CS..THydrogen-bonded Turntrans-102.90.517974.80000114.2K159 V160 Y161 R165 K181K159-S163 VanDerWaalsContact O-CB 3.3Å; K159-S163 WeakPolarHBondContact O-CB 3.27Å; K159-S163 PolarHBondContact O-OG 2.8Å; V160-S163 PolarHBondContact O-N 3.26Å; V160-S163 PolarHBondContact O-OG 3.14Å; Y161-S163 PolarHBondContact O-N 3.34Å; S163-R165 PolarHBondContact O-N 3.06Å; S163-K181 WeakPolarHBondContact OG-CB 3.38Å; S163-K181 PolarHBondContact OG-N 2.91Å
164Q95.6Very high96.3Very high89 Ų8979.9 Ų79.942%0.41639%0.391SS..  trans-68.6115.7178.6-68.2-169.24.800110.4V160 Y161 I179 Q180V160-Q164 PolarHBondContact O-N 3.12Å; Y161-Q164 WeakPolarHBondContact O-CG 3.38Å; Y161-Q164 PolarHBondContact O-N 3Å; Y161-Q164 VanDerWaalsContact O-N 3.15Å; Q164-I179 WeakPolarHBondContact CA-O 3.23Å; Q164-Q180 HydrophobicContact CG-CB 3.95Å
165R96.4Very high96.4Very high178 Ų17885.6 Ų85.667%0.67243%0.425SS*.EExtended strand (participates in β ladder)trans-145.216417762.5-175.8179.7173.81.3111.9S163 R178 I179S163-R165 PolarHBondContact O-N 3.06Å; R165-R178 CarbonylContact O-C 3.53Å; R165-R178 WeakPolarHBondContact O-CA 3.27Å; R165-I179 HydrophobicContact CG-CD1 3.98Å; R165-I179 HydrophobicContact CG-CG1 3.73Å; R165-I179 PolarHBondContact N-O 3.05Å; R165-I179 WeakPolarHBondContact O-CG1 3.11Å; R165-I179 PolarHBondContact O-N 3.42Å
166F96.8Very high96.4Very high102 Ų10290.6 Ų90.645%0.44744%0.44SS..EExtended strand (participates in β ladder)trans-67.5145.1173.2-67.2-60.9000111.4R177 R178F166-R177 CarbonylContact C-O 3.57Å; F166-R177 WeakPolarHBondContact CA-O 3.33Å; F166-R177 HydrophobicContact CD1-CG 3.69Å; F166-R177 HydrophobicContact CE1-CG 3.84Å; F166-R178 HydrophobicContact CD1-CG 4.28Å; F166-R178 HydrophobicContact CE1-CG 4.32Å
167R97.1Very high96.5Very high99 Ų9998 Ų9837%0.37447%0.468SS..PPolyproline II helixtrans-71.1132.2172.7-174.9178.4-72.6-104.7-0.8109.8R176 R177 I179R167-R176 WeakPolarHBondContact CB-O 3.45Å; R167-R176 WeakPolarHBondContact CD-O 3.37Å; R167-R176 PolarHBondContact NE-O 3.3Å; R167-R176 VanDerWaalsContact NE-O 3.1Å; R167-R177 PolarHBondContact N-O 3.45Å; R167-I179 HydrophobicContact CB-CG2 4.06Å; R167-I179 HydrophobicContact CG-CG2 4.27Å
168A96.8Very high96.5Very high91 Ų91106.6 Ų106.675%0.75250%0.5SS*.PPolyproline II helixtrans-65.9149.2171.700000112.3
169G96.5Very high96.5Very high60 Ų60105.1 Ų105.162%0.61949%0.494SS*.G310 helixtrans67.5-169.7175.900000116G171 K172G169-G171 PolarHBondContact O-N 2.91Å; G169-K172 PolarHBondContact O-N 3.09Å; G169-K172 VanDerWaalsContact O-N 3.13Å
170K97Very high96.5Very high169 Ų169108.1 Ų108.174%0.73551%0.509SS*.G310 helixtrans-63.20.3-173.8-57.8-174.3-178.5-176.50115K172 M173 R174K170-K172 PolarHBondContact O-N 3.27Å; K170-M173 HydrophobicContact CB-SD 4.49Å; K170-M173 WeakPolarHBondContact O-CG 3.39Å; K170-R174 WeakPolarHBondContact O-CG 3.47Å
171G96.1Very high96.5Very high20 Ų20114 Ų11421%0.20653%0.534CS..G310 helixtrans-68-24168.600000113.2G169 M173 R174G169-G171 PolarHBondContact O-N 2.91Å; G171-M173 PolarHBondContact O-N 3.1Å; G171-R174 PolarHBondContact O-N 3.07Å; G171-R174 VanDerWaalsContact O-N 3.15Å
172K96.6Very high96.5Very high107 Ų107115.6 Ų115.647%0.46554%0.54SS..THydrogen-bonded Turntrans-60.1-45.8-178-161.6-171.3-62.6-179.60112.3G169 K170 R174 R177G169-K172 PolarHBondContact O-N 3.09Å; G169-K172 VanDerWaalsContact O-N 3.13Å; K170-K172 PolarHBondContact O-N 3.27Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.34Å; K172-R177 HydrophobicContact CG-CB 4.44Å; K172-R177 HydrophobicContact CG-CG 3.97Å
173M97.1Very high96.5Very high149 Ų149108.8 Ų108.873%0.73450%0.503SS*.THydrogen-bonded Turntrans-78.6-3.5177.273.3-168.3-64.200114.5K170 G171K170-M173 HydrophobicContact CB-SD 4.49Å; K170-M173 WeakPolarHBondContact O-CG 3.39Å; G171-M173 PolarHBondContact O-N 3.1Å
174R96.6Very high96.5Very high160 Ų160107.9 Ų107.960%0.60450%0.497SS*.THydrogen-bonded Turntrans-115.255.4-175-63.9-177.4179.1-170.5-1.7111.3K170 G171 K172 R176K170-R174 WeakPolarHBondContact O-CG 3.47Å; G171-R174 PolarHBondContact O-N 3.07Å; G171-R174 VanDerWaalsContact O-N 3.15Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 3.34Å; R174-R176 WeakPolarHBondContact O-CG 3.29Å; R174-R176 PolarHBondContact O-N 3.48Å; R174-R176 PolarHBondContact O-NH1 3.02Å
175N96.8Very high96.6Very high169 Ų169103.6 Ų103.690%0.90448%0.477SS*.THydrogen-bonded Turntrans51.328.1177.1-61.5-11.1000115.3
176R96.5Very high96.6Very high139 Ų13995.3 Ų95.353%0.52545%0.446SS..  trans-134.635.2-178.6-61.7168.9-170.293-7.6111.4R167 R174 R178R167-R176 WeakPolarHBondContact CB-O 3.45Å; R167-R176 WeakPolarHBondContact CD-O 3.37Å; R167-R176 PolarHBondContact NE-O 3.3Å; R167-R176 VanDerWaalsContact NE-O 3.1Å; R174-R176 WeakPolarHBondContact O-CG 3.29Å; R174-R176 PolarHBondContact O-N 3.48Å; R174-R176 PolarHBondContact O-NH1 3.02Å; R176-R178 PolarHBondContact O-N 3.3Å
177R96.8Very high96.6Very high156 Ų15690.5 Ų90.559%0.58943%0.425SS*.  trans-55.6-43.1-170.5-177.8167.3-178.2179.6-0.1114.3F166 R167 K172F166-R177 CarbonylContact C-O 3.57Å; F166-R177 WeakPolarHBondContact CA-O 3.33Å; F166-R177 HydrophobicContact CD1-CG 3.69Å; F166-R177 HydrophobicContact CE1-CG 3.84Å; R167-R177 PolarHBondContact N-O 3.45Å; K172-R177 HydrophobicContact CG-CB 4.44Å; K172-R177 HydrophobicContact CG-CG 3.97Å
178R95.8Very high96.6Very high180 Ų18087 Ų8768%0.67941%0.412SS*.EExtended strand (participates in β ladder)trans-107.8151.4-179.9-68.3-179.9175.7153.1-1.4112R165 F166 R176R165-R178 CarbonylContact O-C 3.53Å; R165-R178 WeakPolarHBondContact O-CA 3.27Å; F166-R178 HydrophobicContact CD1-CG 4.28Å; F166-R178 HydrophobicContact CE1-CG 4.32Å; R176-R178 PolarHBondContact O-N 3.3Å
179I96.5Very high96.6Very high51 Ų5187 Ų8726%0.26240%0.395SS..EExtended strand (participates in β ladder)trans-130.3151.4168.855.6170.1000109.7Q164 R165 R167Q164-I179 WeakPolarHBondContact CA-O 3.23Å; R165-I179 HydrophobicContact CG-CD1 3.98Å; R165-I179 HydrophobicContact CG-CG1 3.73Å; R165-I179 PolarHBondContact N-O 3.05Å; R165-I179 WeakPolarHBondContact O-CG1 3.11Å; R165-I179 PolarHBondContact O-N 3.42Å; R167-I179 HydrophobicContact CB-CG2 4.06Å; R167-I179 HydrophobicContact CG-CG2 4.27Å
180Q96.2Very high96.6Very high84 Ų8489.8 Ų89.839%0.39339%0.39SS..  trans-152.9158.5176.363.6-175.9-1200109.9V160 Q164V160-Q180 HydrophobicContact CG1-CB 4.11Å; V160-Q180 HydrophobicContact CG1-CG 4.09Å; Q164-Q180 HydrophobicContact CG-CB 3.95Å
181K96.5Very high96.4Very high122 Ų12285 Ų8553%0.5337%0.372SS..  trans-63.6162.9171.8-71.4177.1178.6-1790110.6K159 V160 S163K159-K181 HydrophobicContact CD-CD 4.26Å; K159-K181 HydrophobicContact CG-CD 4.04Å; V160-K181 WeakPolarHBondContact CG1-O 3.48Å; S163-K181 WeakPolarHBondContact OG-CB 3.38Å; S163-K181 PolarHBondContact OG-N 2.91Å
182R96.1Very high96.4Very high140 Ų14087.2 Ų87.253%0.52838%0.38SS..  trans-91.6133.8170.8-62.8-61.7-172.9171-0109.1P219R182-P219 HydrophobicContact CG-CB 4.46Å
183G95.7Very high96.2Very high0 Ų082.7 Ų82.70%036%0.363CS..  trans-93.2-158.5172.700000111.5H119 D156 G203 R225H119-G183 PolarHBondContact CE1-O 2.7Å; D156-G183 WeakPolarHBondContact OD2-CA 3.12Å; G183-G203 PolarHBondContact N-O 3.21Å; G183-R225 PolarHBondContact O-NE 2.98Å; G183-R225 VanDerWaalsContact O-NE 3.14Å; G183-R225 PolarHBondContact O-NH2 3.09Å
184P96.6Very high96.2Very high0 Ų075.7 Ų75.70%033%0.329CS..  trans-61.5159.4-177.824.9-33.5000112.5D156 I157 I204 T205 R225 L226 I228D156-P184 WeakPolarHBondContact OD2-CD 3.33Å; I157-P184 HydrophobicContact CD1-CG 4.36Å; I157-P184 HydrophobicContact CG1-CG 4.18Å; P184-I204 HydrophobicContact CG-CD1 4.4Å; P184-I204 HydrophobicContact CG-CG1 4.18Å; P184-I204 WeakPolarHBondContact O-CA 3.5Å; P184-T205 PolarHBondContact O-N 2.64Å; P184-T205 VanDerWaalsContact O-N 3.13Å; P184-R225 PolarHBondContact O-NH2 3.14Å; P184-L226 CarbonylContact C-O 3.5Å; P184-L226 WeakPolarHBondContact CA-O 3.45Å; P184-L226 HydrophobicContact CB-CD2 4.08Å; P184-L226 HydrophobicContact CB-CG 4.05Å; P184-I228 HydrophobicContact CB-CD1 3.75Å; P184-I228 HydrophobicContact CB-CG1 4.12Å; P184-I228 HydrophobicContact CG-CD1 4.17Å
185I97.2Very high96.1Very high0 Ų069.6 Ų69.60%031%0.311CS..EExtended strand (participates in β ladder)trans-107.5126.1168.7-165.2165.9000109.1I187 T205 I207 K216 L217 R225 L226 A227 I228I185-I187 HydrophobicContact CG1-CG1 4.25Å; I185-I187 HydrophobicContact CG2-CD1 4.19Å; I185-I187 HydrophobicContact CG2-CG1 4.4Å; I185-T205 CarbonylContact C-O 3.58Å; I185-T205 WeakPolarHBondContact CA-O 3.36Å; I185-T205 HydrophobicContact CD1-CG2 4.39Å; I185-T205 HydrophobicContact CG1-CG2 4.37Å; I185-T205 WeakPolarHBondContact CG1-O 3.44Å; I185-I207 HydrophobicContact CD1-CD1 3.38Å; I185-I207 HydrophobicContact CD1-CG1 3.9Å; I185-I207 HydrophobicContact CG1-CD1 4.28Å; I185-I207 HydrophobicContact CG1-CG1 4.3Å; I185-K216 HydrophobicContact CD1-CB 4.03Å; I185-L217 HydrophobicContact CD1-CD2 4.11Å; I185-R225 HydrophobicContact CB-CG 4.23Å; I185-R225 HydrophobicContact CG2-CB 4.49Å; I185-R225 HydrophobicContact CG2-CG 3.88Å; I185-L226 PolarHBondContact N-O 3.29Å; I185-A227 HydrophobicContact CG2-CB 3.61Å; I185-A227 WeakPolarHBondContact O-CA 3.35Å; I185-I228 PolarHBondContact O-N 2.86Å
186V97.1Very high96Very high4 Ų470.3 Ų70.32%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-101.4121.9178.1179.40000107.9I194 F198 I204 T205 L206 I207 I228V186-I194 HydrophobicContact CG1-CD1 3.68Å; V186-F198 HydrophobicContact CG2-CD1 4.11Å; V186-F198 HydrophobicContact CG2-CE1 4.21Å; V186-I204 HydrophobicContact CG2-CG2 3.95Å; V186-T205 PolarHBondContact N-O 3.09Å; V186-L206 HydrophobicContact CB-CD2 4.06Å; V186-L206 HydrophobicContact CG1-CD2 4.19Å; V186-I207 PolarHBondContact O-N 2.99Å; V186-I228 WeakPolarHBondContact CA-O 3.45Å; V186-I228 HydrophobicContact CG2-CB 4.32Å; V186-I228 HydrophobicContact CG2-CD1 4.34Å
187I97.6Very high96Very high0 Ų063.7 Ų63.70%028%0.276CS..EExtended strand (participates in β ladder)trans-118.7118.6-173-55.9173.8000109.2I185 I207 V209 L212 L217 A227 I228 W229 S230 A233I185-I187 HydrophobicContact CG1-CG1 4.25Å; I185-I187 HydrophobicContact CG2-CD1 4.19Å; I185-I187 HydrophobicContact CG2-CG1 4.4Å; I187-I207 WeakPolarHBondContact CA-O 3.43Å; I187-V209 HydrophobicContact CG2-CG2 4.09Å; I187-L212 HydrophobicContact CD1-CD2 4.06Å; I187-L212 HydrophobicContact CG2-CD2 4.02Å; I187-L217 HydrophobicContact CD1-CD2 4.06Å; I187-A227 HydrophobicContact CD1-CB 4.19Å; I187-I228 PolarHBondContact N-O 3.49Å; I187-W229 HydrophobicContact CB-CD2 4.26Å; I187-W229 HydrophobicContact CB-CE3 3.8Å; I187-W229 HydrophobicContact CB-CZ3 4.07Å; I187-W229 HydrophobicContact CD1-CD2 4.1Å; I187-W229 HydrophobicContact CD1-CE3 4.01Å; I187-W229 HydrophobicContact CD1-CH2 3.54Å; I187-W229 HydrophobicContact CD1-CZ2 3.63Å; I187-W229 HydrophobicContact CD1-CZ3 3.74Å; I187-W229 HydrophobicContact CG2-CE3 3.59Å; I187-W229 HydrophobicContact CG2-CH2 4.36Å; I187-W229 HydrophobicContact CG2-CZ3 3.5Å; I187-S230 PolarHBondContact O-N 3.37Å; I187-A233 HydrophobicContact CG2-CB 4.43Å; I187-A233 WeakPolarHBondContact O-CB 3.5Å
188Y97.3Very high96Very high25 Ų2556.4 Ų56.410%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-130.5162.7-17261.5-89000111.3E136 K190 D191 I194 L206 I207 N208 V209E136-Y188 WeakPolarHBondContact OE1-CA 3.33Å; E136-Y188 WeakPolarHBondContact OE1-CB 3.33Å; Y188-K190 WeakPolarHBondContact CD2-O 3.48Å; Y188-D191 HydrophobicContact CD2-CB 4.44Å; Y188-D191 HydrophobicContact CE2-CB 3.79Å; Y188-I194 HydrophobicContact CD1-CD1 4.3Å; Y188-I194 HydrophobicContact CD1-CG2 4.1Å; Y188-I194 HydrophobicContact CD2-CG2 4.05Å; Y188-I194 HydrophobicContact CE1-CG2 4.39Å; Y188-I194 HydrophobicContact CE2-CG2 4.33Å; Y188-I194 HydrophobicContact CG-CD1 4.35Å; Y188-I194 HydrophobicContact CG-CG2 3.91Å; Y188-L206 HydrophobicContact CD1-CD2 4.08Å; Y188-L206 HydrophobicContact CE1-CB 4.03Å; Y188-L206 HydrophobicContact CE1-CD2 3.79Å; Y188-I207 VanDerWaalsContact CD1-O 3.3Å; Y188-I207 WeakPolarHBondContact CD1-O 3.34Å; Y188-I207 WeakPolarHBondContact CE1-O 3.41Å; Y188-I207 PolarHBondContact N-O 2.72Å; Y188-I207 VanDerWaalsContact N-O 3.09Å; Y188-N208 HydrophobicContact CE2-CB 4.14Å; Y188-N208 CarbonylContact O-C 3.58Å; Y188-N208 WeakPolarHBondContact O-CA 3.34Å; Y188-V209 WeakPolarHBondContact O-CG2 3.36Å; Y188-V209 PolarHBondContact O-N 2.94Å
189K96.6Very high96Very high92 Ų9257 Ų5740%0.425%0.251SS..SBendtrans-99.1-44.1178.7173.1175.6168.4-166.70112.6E136 N208 V209 S232E136-K189 PolarHBondContact OE1-N 2.85Å; K189-N208 PolarHBondContact O-ND2 3.26Å; K189-V209 HydrophobicContact CB-CG2 4.4Å; K189-S232 WeakPolarHBondContact CB-OG 3.36Å; K189-S232 VanDerWaalsContact CD-O 3.27Å; K189-S232 WeakPolarHBondContact CD-O 3.28Å
190K95.2Very high96Very high119 Ų11960.8 Ų60.852%0.51727%0.272SS..SBendtrans-123.9144.6178.8-167.9176175.5-121.30109.2Y188 D192Y188-K190 WeakPolarHBondContact CD2-O 3.48Å; K190-D192 WeakPolarHBondContact CD-OD1 3.39Å; K190-D192 WeakPolarHBondContact CD-OD2 3.2Å; K190-D192 WeakPolarHBondContact CE-OD1 3.32Å; K190-D192 WeakPolarHBondContact CG-OD1 3.45Å; K190-D192 IonicContact NZ-OD1 2.59Å; K190-D192 PolarHBondContact NZ-OD1 3.04Å; K190-D192 IonicContact NZ-OD2 3.06Å; K190-D192 PolarHBondContact NZ-OD2 3.3Å
191D94.6Very high96Very high68 Ų6857.1 Ų57.136%0.36426%0.255SS..  trans-104.488.8178.9-169.56.3000109.4Y188 G193 I194 S195Y188-D191 HydrophobicContact CD2-CB 4.44Å; Y188-D191 HydrophobicContact CE2-CB 3.79Å; D191-G193 VanDerWaalsContact C-N 3.35Å; D191-I194 WeakPolarHBondContact OD1-CG2 3.42Å; D191-I194 PolarHBondContact OD1-N 3.39Å; D191-S195 VanDerWaalsContact CG-OG 3.24Å; D191-S195 WeakPolarHBondContact OD1-CB 3.48Å; D191-S195 PolarHBondContact OD1-N 2.9Å; D191-S195 PolarHBondContact OD1-OG 3.32Å; D191-S195 VanDerWaalsContact OD1-OG 3.09Å; D191-S195 WeakPolarHBondContact OD2-CB 3.26Å; D191-S195 PolarHBondContact OD2-OG 2.83Å
192D94.1Very high95.9Very high67 Ų6752.4 Ų52.436%0.35824%0.236SC..SBendtrans-99.316.8179.7-70.7-24.3000112.2E136 K190E136-D192 CarbonylContact O-C 3.44Å; E136-D192 PolarHBondContact O-N 3.21Å; K190-D192 WeakPolarHBondContact CD-OD1 3.39Å; K190-D192 WeakPolarHBondContact CD-OD2 3.2Å; K190-D192 WeakPolarHBondContact CE-OD1 3.32Å; K190-D192 WeakPolarHBondContact CG-OD1 3.45Å; K190-D192 IonicContact NZ-OD1 2.59Å; K190-D192 PolarHBondContact NZ-OD1 3.04Å; K190-D192 IonicContact NZ-OD2 3.06Å; K190-D192 PolarHBondContact NZ-OD2 3.3Å
193G94.2Very high95.9Very high12 Ų1246 Ų4612%0.12421%0.214CC..SBendtrans141-24-178.200000113.4L138 D191 S195 R196 A197L138-G193 CarbonylContact O-C 3.46Å; D191-G193 VanDerWaalsContact C-N 3.35Å; G193-S195 PolarHBondContact O-N 3.03Å; G193-S195 VanDerWaalsContact O-N 3.09Å; G193-R196 PolarHBondContact O-N 2.96Å; G193-A197 PolarHBondContact O-N 3.07Å
194I95.5Very high95.9Very high1 Ų147 Ų471%0.00522%0.219CC..Hα-helixtrans-51.2-37.2-175.6-165.6177.9000113.4V135 E136 L138 V186 Y188 D191 R196 A197 F198 L206V135-I194 HydrophobicContact CG1-CD1 4.17Å; V135-I194 WeakPolarHBondContact O-CD1 3.4Å; V135-I194 WeakPolarHBondContact O-CG1 3.21Å; E136-I194 PolarHBondContact O-N 3.14Å; L138-I194 PolarHBondContact O-N 3.33Å; V186-I194 HydrophobicContact CG1-CD1 3.68Å; Y188-I194 HydrophobicContact CD1-CD1 4.3Å; Y188-I194 HydrophobicContact CD1-CG2 4.1Å; Y188-I194 HydrophobicContact CD2-CG2 4.05Å; Y188-I194 HydrophobicContact CE1-CG2 4.39Å; Y188-I194 HydrophobicContact CE2-CG2 4.33Å; Y188-I194 HydrophobicContact CG-CD1 4.35Å; Y188-I194 HydrophobicContact CG-CG2 3.91Å; D191-I194 WeakPolarHBondContact OD1-CG2 3.42Å; D191-I194 PolarHBondContact OD1-N 3.39Å; I194-R196 PolarHBondContact O-N 2.85Å; I194-A197 PolarHBondContact O-N 2.86Å; I194-F198 HydrophobicContact CD1-CD2 4.43Å; I194-F198 HydrophobicContact CD1-CE2 4.29Å; I194-F198 HydrophobicContact CG1-CD2 3.48Å; I194-F198 VanDerWaalsContact CG1-CD2 3.48Å; I194-F198 HydrophobicContact CG1-CE2 3.65Å; I194-F198 HydrophobicContact CG1-CG 4.48Å; I194-F198 WeakPolarHBondContact O-CD2 3.36Å; I194-F198 PolarHBondContact O-N 3.17Å; I194-L206 HydrophobicContact CG1-CD2 4.36Å
195S94.8Very high95.9Very high32 Ų3247.8 Ų47.822%0.22422%0.224CC..Hα-helixtrans-64.7-40.9177.466.10000112.8D191 G193 R199D191-S195 VanDerWaalsContact CG-OG 3.24Å; D191-S195 WeakPolarHBondContact OD1-CB 3.48Å; D191-S195 PolarHBondContact OD1-N 2.9Å; D191-S195 PolarHBondContact OD1-OG 3.32Å; D191-S195 VanDerWaalsContact OD1-OG 3.09Å; D191-S195 WeakPolarHBondContact OD2-CB 3.26Å; D191-S195 PolarHBondContact OD2-OG 2.83Å; G193-S195 PolarHBondContact O-N 3.03Å; G193-S195 VanDerWaalsContact O-N 3.09Å; S195-R199 WeakPolarHBondContact O-CB 3.21Å; S195-R199 VanDerWaalsContact O-CG 3.27Å; S195-R199 WeakPolarHBondContact O-CG 3.31Å; S195-R199 PolarHBondContact O-N 3.14Å; S195-R199 VanDerWaalsContact O-N 3.07Å
196R95.3Very high95.9Very high184 Ų18449.1 Ų49.169%0.69423%0.231SC*.Hα-helixtrans-69.7-40.3177.2-64-175.4-179.5-169.30.8111.4G193 I194G193-R196 PolarHBondContact O-N 2.96Å; I194-R196 PolarHBondContact O-N 2.85Å
197A96.7Very high95.9Very high0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-66.5-45.4-18000000112.8L138 T141 A144 G193 I194L138-A197 HydrophobicContact CB-CB 4.29Å; L138-A197 VanDerWaalsContact O-CB 3.23Å; L138-A197 WeakPolarHBondContact O-CB 3.41Å; T141-A197 WeakPolarHBondContact CA-O 3.46Å; T141-A197 VanDerWaalsContact CB-O 3.3Å; T141-A197 WeakPolarHBondContact CB-O 3.45Å; T141-A197 WeakPolarHBondContact CG2-O 3.47Å; T141-A197 PolarHBondContact OG1-O 3.13Å; A144-A197 HydrophobicContact CB-CB 4.1Å; G193-A197 PolarHBondContact O-N 3.07Å; I194-A197 PolarHBondContact O-N 2.86Å
198F96.8Very high95.8Very high3 Ų351 Ų511%0.01324%0.241CC..Hα-helixtrans-91.9-20.6-173.6-74.2-100000115V135 L138 A144 L148 V186 I194 N200 I201 I204 L206V135-F198 HydrophobicContact CG1-CE2 4.12Å; V135-F198 HydrophobicContact CG1-CZ 3.98Å; L138-F198 HydrophobicContact CD1-CE2 4.04Å; L138-F198 HydrophobicContact CD1-CZ 4.3Å; A144-F198 HydrophobicContact CB-CD1 4.07Å; A144-F198 HydrophobicContact CB-CD2 3.78Å; A144-F198 HydrophobicContact CB-CE1 3.89Å; A144-F198 HydrophobicContact CB-CE2 3.58Å; A144-F198 HydrophobicContact CB-CG 4.03Å; A144-F198 HydrophobicContact CB-CZ 3.65Å; L148-F198 HydrophobicContact CD1-CD1 4.02Å; L148-F198 HydrophobicContact CD1-CE1 3.69Å; L148-F198 HydrophobicContact CD2-CE1 4.17Å; L148-F198 HydrophobicContact CG-CE1 3.91Å; V186-F198 HydrophobicContact CG2-CD1 4.11Å; V186-F198 HydrophobicContact CG2-CE1 4.21Å; I194-F198 HydrophobicContact CD1-CD2 4.43Å; I194-F198 HydrophobicContact CD1-CE2 4.29Å; I194-F198 HydrophobicContact CG1-CD2 3.48Å; I194-F198 VanDerWaalsContact CG1-CD2 3.48Å; I194-F198 HydrophobicContact CG1-CE2 3.65Å; I194-F198 HydrophobicContact CG1-CG 4.48Å; I194-F198 WeakPolarHBondContact O-CD2 3.36Å; I194-F198 PolarHBondContact O-N 3.17Å; F198-N200 PolarHBondContact O-N 3.13Å; F198-N200 VanDerWaalsContact O-N 3.1Å; F198-I201 HydrophobicContact CD1-CD1 4.24Å; F198-I201 PolarHBondContact O-N 2.87Å; F198-I201 VanDerWaalsContact O-N 3.12Å; F198-I204 HydrophobicContact CB-CG2 4.42Å; F198-I204 HydrophobicContact CD1-CD1 4.01Å; F198-I204 HydrophobicContact CD1-CG2 4.42Å; F198-L206 HydrophobicContact CB-CD1 4.05Å; F198-L206 HydrophobicContact CB-CD2 4.07Å; F198-L206 HydrophobicContact CB-CG 4.31Å
199R95.2Very high95.7Very high193 Ų19350 Ų5073%0.72824%0.237SC*.THydrogen-bonded Turntrans-56.8-31.4-171.963.5-177-172.6166.26.4115.4S195 L206S195-R199 WeakPolarHBondContact O-CB 3.21Å; S195-R199 VanDerWaalsContact O-CG 3.27Å; S195-R199 WeakPolarHBondContact O-CG 3.31Å; S195-R199 PolarHBondContact O-N 3.14Å; S195-R199 VanDerWaalsContact O-N 3.07Å; R199-L206 HydrophobicContact CB-CD1 4.36Å
200N96Very high95.6Very high131 Ų13152.2 Ų52.270%0.70125%0.247SC*.THydrogen-bonded Turntrans-88.1-5.7-174.9-157.635.9000113.4F198 P202F198-N200 PolarHBondContact O-N 3.13Å; F198-N200 VanDerWaalsContact O-N 3.1Å; N200-P202 WeakPolarHBondContact O-CD 3.26Å
201I96Very high95.5Very high7 Ų749.7 Ų49.74%0.03625%0.248CC..SBendtrans-81.8119.6179.7-52.7176.8000108.8T141 A144 V145 L148 I157 F198 G203 I204T141-I201 HydrophobicContact CG2-CD1 4.11Å; T141-I201 HydrophobicContact CG2-CG1 3.73Å; A144-I201 HydrophobicContact CB-CD1 4.1Å; V145-I201 HydrophobicContact CG2-CD1 3.78Å; V145-I201 HydrophobicContact CG2-CG1 4.3Å; L148-I201 HydrophobicContact CD1-CD1 3.73Å; I157-I201 HydrophobicContact CD1-CG2 4.38Å; I157-I201 HydrophobicContact CG2-CG2 3.93Å; F198-I201 HydrophobicContact CD1-CD1 4.24Å; F198-I201 PolarHBondContact O-N 2.87Å; F198-I201 VanDerWaalsContact O-N 3.12Å; I201-G203 PolarHBondContact O-N 3.1Å; I201-I204 HydrophobicContact CB-CD1 3.72Å; I201-I204 HydrophobicContact CB-CG1 4.03Å; I201-I204 HydrophobicContact CD1-CD1 4.07Å; I201-I204 HydrophobicContact CG1-CD1 4.48Å; I201-I204 HydrophobicContact CG2-CD1 3.57Å; I201-I204 HydrophobicContact CG2-CG1 3.88Å; I201-I204 PolarHBondContact O-N 2.78Å
202P95.6Very high95.5Very high23 Ų2347.2 Ų47.215%0.14924%0.235CC..THydrogen-bonded Turntrans-57.2135-173.3-29.838.7000114.2V160 Y161 N200 I204V160-P202 HydrophobicContact CG1-CB 4Å; Y161-P202 HydrophobicContact CD1-CG 4.3Å; Y161-P202 HydrophobicContact CE1-CG 3.69Å; Y161-P202 HydrophobicContact CE2-CG 4.24Å; Y161-P202 VanDerWaalsContact OH-CD 3.27Å; Y161-P202 WeakPolarHBondContact OH-CD 3.32Å; N200-P202 WeakPolarHBondContact O-CD 3.26Å; P202-I204 PolarHBondContact O-N 2.99Å; P202-I204 VanDerWaalsContact O-N 3.15Å
203G95.1Very high95.6Very high6 Ų646.4 Ų46.46%0.06223%0.23CC..THydrogen-bonded Turntrans78.5-16174.900000115.8G183 I201 R225G183-G203 PolarHBondContact N-O 3.21Å; I201-G203 PolarHBondContact O-N 3.1Å; G203-R225 PolarHBondContact O-NH2 3.11Å
204I96.6Very high95.7Very high20 Ų2045.8 Ų45.810%0.10323%0.225CC..  trans-60.9148.3171.6-59.4-162000109.4L148 I157 P184 V186 F198 I201 P202L148-I204 HydrophobicContact CD1-CD1 3.49Å; L148-I204 VanDerWaalsContact CD1-CD1 3.49Å; L148-I204 HydrophobicContact CD2-CD1 4.39Å; I157-I204 HydrophobicContact CD1-CD1 3.89Å; I157-I204 HydrophobicContact CD1-CG1 4.39Å; P184-I204 HydrophobicContact CG-CD1 4.4Å; P184-I204 HydrophobicContact CG-CG1 4.18Å; P184-I204 WeakPolarHBondContact O-CA 3.5Å; V186-I204 HydrophobicContact CG2-CG2 3.95Å; F198-I204 HydrophobicContact CB-CG2 4.42Å; F198-I204 HydrophobicContact CD1-CD1 4.01Å; F198-I204 HydrophobicContact CD1-CG2 4.42Å; I201-I204 HydrophobicContact CB-CD1 3.72Å; I201-I204 HydrophobicContact CB-CG1 4.03Å; I201-I204 HydrophobicContact CD1-CD1 4.07Å; I201-I204 HydrophobicContact CG1-CD1 4.48Å; I201-I204 HydrophobicContact CG2-CD1 3.57Å; I201-I204 HydrophobicContact CG2-CG1 3.88Å; I201-I204 PolarHBondContact O-N 2.78Å; P202-I204 PolarHBondContact O-N 2.99Å; P202-I204 VanDerWaalsContact O-N 3.15Å
205T96.7Very high95.8Very high16 Ų1648.1 Ų48.110%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-134131.3173.5-580000109.6P184 I185 V186 K216 R225P184-T205 PolarHBondContact O-N 2.64Å; P184-T205 VanDerWaalsContact O-N 3.13Å; I185-T205 CarbonylContact C-O 3.58Å; I185-T205 WeakPolarHBondContact CA-O 3.36Å; I185-T205 HydrophobicContact CD1-CG2 4.39Å; I185-T205 HydrophobicContact CG1-CG2 4.37Å; I185-T205 WeakPolarHBondContact CG1-O 3.44Å; V186-T205 PolarHBondContact N-O 3.09Å; T205-K216 HydrophobicContact CG2-CB 4.24Å; T205-K216 HydrophobicContact CG2-CD 3.66Å; T205-K216 HydrophobicContact CG2-CG 3.95Å; T205-R225 PolarHBondContact OG1-NH1 3.38Å; T205-R225 PolarHBondContact OG1-NH2 3.17Å
206L96.6Very high95.8Very high28 Ų2850.4 Ų50.415%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-99.1138.3-179.6-75.7155.7000110.6V186 Y188 I194 F198 R199 K216V186-L206 HydrophobicContact CB-CD2 4.06Å; V186-L206 HydrophobicContact CG1-CD2 4.19Å; Y188-L206 HydrophobicContact CD1-CD2 4.08Å; Y188-L206 HydrophobicContact CE1-CB 4.03Å; Y188-L206 HydrophobicContact CE1-CD2 3.79Å; I194-L206 HydrophobicContact CG1-CD2 4.36Å; F198-L206 HydrophobicContact CB-CD1 4.05Å; F198-L206 HydrophobicContact CB-CD2 4.07Å; F198-L206 HydrophobicContact CB-CG 4.31Å; R199-L206 HydrophobicContact CB-CD1 4.36Å; L206-K216 PolarHBondContact O-NZ 3.34Å
207I96.7Very high95.9Very high6 Ų641.7 Ų41.73%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-145137.4171.7-58.4-173.3000111.6I185 V186 I187 Y188 L212 K216I185-I207 HydrophobicContact CD1-CD1 3.38Å; I185-I207 HydrophobicContact CD1-CG1 3.9Å; I185-I207 HydrophobicContact CG1-CD1 4.28Å; I185-I207 HydrophobicContact CG1-CG1 4.3Å; V186-I207 PolarHBondContact O-N 2.99Å; I187-I207 WeakPolarHBondContact CA-O 3.43Å; Y188-I207 VanDerWaalsContact CD1-O 3.3Å; Y188-I207 WeakPolarHBondContact CD1-O 3.34Å; Y188-I207 WeakPolarHBondContact CE1-O 3.41Å; Y188-I207 PolarHBondContact N-O 2.72Å; Y188-I207 VanDerWaalsContact N-O 3.09Å; I207-L212 HydrophobicContact CG2-CD2 3.91Å; I207-K216 HydrophobicContact CD1-CB 3.58Å; I207-K216 HydrophobicContact CD1-CD 3.49Å; I207-K216 VanDerWaalsContact CD1-CD 3.49Å; I207-K216 HydrophobicContact CD1-CG 4.2Å; I207-K216 HydrophobicContact CG1-CB 4.41Å; I207-K216 HydrophobicContact CG1-CD 3.48Å; I207-K216 VanDerWaalsContact CG1-CD 3.48Å
208N96.6Very high95.9Very high39 Ų3941.7 Ų41.721%0.20921%0.21CC..EExtended strand (participates in β ladder)trans-79.2134.3163.1-170.9-66.9000111.8Y188 K189 K210 A211Y188-N208 HydrophobicContact CE2-CB 4.14Å; Y188-N208 CarbonylContact O-C 3.58Å; Y188-N208 WeakPolarHBondContact O-CA 3.34Å; K189-N208 PolarHBondContact O-ND2 3.26Å; N208-K210 PolarHBondContact O-N 2.98Å; N208-K210 VanDerWaalsContact O-N 3.07Å; N208-K210 WeakPolarHBondContact OD1-CB 3.18Å; N208-K210 WeakPolarHBondContact OD1-CG 3.5Å; N208-K210 PolarHBondContact OD1-N 2.95Å; N208-A211 CarbonylContact O-C 3.04Å; N208-A211 WeakPolarHBondContact O-CA 3.47Å; N208-A211 PolarHBondContact O-N 2.83Å
209V95.7Very high95.9Very high2 Ų242.8 Ų42.81%0.01222%0.217CC..G310 helixtrans-53.5-33.5-178.1-149.90000113.9I187 Y188 K189 A211 L212 W229 A233 L237 L240I187-V209 HydrophobicContact CG2-CG2 4.09Å; Y188-V209 WeakPolarHBondContact O-CG2 3.36Å; Y188-V209 PolarHBondContact O-N 2.94Å; K189-V209 HydrophobicContact CB-CG2 4.4Å; V209-A211 PolarHBondContact O-N 3.04Å; V209-L212 HydrophobicContact CG1-CD1 4.01Å; V209-L212 HydrophobicContact CG1-CG 4.49Å; V209-L212 WeakPolarHBondContact O-CG 2.99Å; V209-W229 HydrophobicContact CG1-CZ3 4.41Å; V209-A233 VanDerWaalsContact CG2-CA 3.5Å; V209-A233 HydrophobicContact CG2-CB 3.25Å; V209-L237 HydrophobicContact CG1-CD2 3.8Å; V209-L237 HydrophobicContact CG1-CG 4.38Å; V209-L240 HydrophobicContact CB-CD1 3.93Å; V209-L240 HydrophobicContact CG1-CD1 3.54Å; V209-L240 WeakPolarHBondContact O-CD1 3.43Å
210K93.7Very high95.9Very high139 Ų13935.8 Ų35.860%0.60421%0.205SC*.G310 helixtrans-62-25.1177.4-60.8177.4-174176.20112.3N208N208-K210 PolarHBondContact O-N 2.98Å; N208-K210 VanDerWaalsContact O-N 3.07Å; N208-K210 WeakPolarHBondContact OD1-CB 3.18Å; N208-K210 WeakPolarHBondContact OD1-CG 3.5Å; N208-K210 PolarHBondContact OD1-N 2.95Å
211A93.3Very high95.9Very high67 Ų6729.6 Ų29.655%0.55417%0.172SC*.G310 helixtrans-124.239.7-171.900000113.1N208 V209 N213N208-A211 CarbonylContact O-C 3.04Å; N208-A211 WeakPolarHBondContact O-CA 3.47Å; N208-A211 PolarHBondContact O-N 2.83Å; V209-A211 PolarHBondContact O-N 3.04Å; A211-N213 PolarHBondContact O-N 2.91Å
212L94.9Very high95.9Very high16 Ų1635 Ų358%0.08420%0.197CC..  trans-56129.2174.7-71.4170000111.9I101 I105 I187 I207 V209 L217 W229 L237 Y241I101-L212 HydrophobicContact CG2-CB 4.17Å; I105-L212 HydrophobicContact CD1-CD1 3.75Å; I105-L212 HydrophobicContact CG1-CD1 4.34Å; I187-L212 HydrophobicContact CD1-CD2 4.06Å; I187-L212 HydrophobicContact CG2-CD2 4.02Å; I207-L212 HydrophobicContact CG2-CD2 3.91Å; V209-L212 HydrophobicContact CG1-CD1 4.01Å; V209-L212 HydrophobicContact CG1-CG 4.49Å; V209-L212 WeakPolarHBondContact O-CG 2.99Å; L212-L217 HydrophobicContact CB-CD1 4.28Å; L212-L217 HydrophobicContact CD2-CD1 4.31Å; L212-W229 HydrophobicContact CD1-CH2 4.47Å; L212-L237 HydrophobicContact CD1-CD2 4.05Å; L212-Y241 HydrophobicContact CD1-CE2 4.11Å
213N95.2Very high95.8Very high49 Ų4934.8 Ų34.826%0.26219%0.194SC..  trans-124.6123.3-170.6-178.3-33.1000110.7M21 A211 L215 K216 L217M21-N213 WeakPolarHBondContact CE-OD1 3.41Å; A211-N213 PolarHBondContact O-N 2.91Å; N213-L215 VanDerWaalsContact C-N 3.35Å; N213-L215 PolarHBondContact O-N 3.29Å; N213-L215 WeakPolarHBondContact OD1-CB 3.27Å; N213-L215 PolarHBondContact OD1-N 3.2Å; N213-K216 HydrophobicContact CB-CB 4.48Å; N213-K216 HydrophobicContact CB-CD 4.4Å; N213-K216 HydrophobicContact CB-CG 4.46Å; N213-K216 PolarHBondContact O-N 3.09Å; N213-K216 VanDerWaalsContact O-N 3.07Å; N213-L217 PolarHBondContact O-N 2.74Å
214L96.8Very high95.9Very high0 Ų034.5 Ų34.50%019%0.191CC..Hα-helixtrans-58.7-40.5-177.2-168.766.7000113.5L14 V17 H18 M21 A100 I101 A104 K216 L217 A218L14-L214 HydrophobicContact CD1-CD1 4.01Å; L14-L214 HydrophobicContact CG-CD1 4.04Å; V17-L214 HydrophobicContact CB-CD2 3.93Å; V17-L214 HydrophobicContact CG1-CD2 3.51Å; H18-L214 HydrophobicContact CB-CD2 4.09Å; M21-L214 HydrophobicContact SD-CB 4.05Å; A100-L214 HydrophobicContact CB-CD1 4.16Å; A100-L214 HydrophobicContact CB-CD2 3.72Å; A100-L214 WeakPolarHBondContact O-CD1 3.27Å; I101-L214 HydrophobicContact CG1-CB 4.1Å; I101-L214 HydrophobicContact CG1-CD1 4.33Å; A104-L214 HydrophobicContact CB-CD1 3.62Å; L214-K216 PolarHBondContact O-N 3.25Å; L214-K216 VanDerWaalsContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 3.07Å; L214-A218 PolarHBondContact O-N 2.77Å
215L97Very high95.9Very high49 Ų4933.7 Ų33.726%0.25719%0.187SC..Hα-helixtrans-63.2-23.1179.5-58.4-177.9000112.7M21 R22 N213M21-L215 HydrophobicContact CB-CD2 4.22Å; M21-L215 HydrophobicContact CE-CD1 4.41Å; M21-L215 HydrophobicContact CE-CG 4.2Å; M21-L215 HydrophobicContact CG-CD1 4.09Å; M21-L215 HydrophobicContact CG-CD2 4.2Å; M21-L215 HydrophobicContact CG-CG 3.98Å; M21-L215 HydrophobicContact SD-CG 4.06Å; R22-L215 HydrophobicContact CB-CD2 4.03Å; N213-L215 VanDerWaalsContact C-N 3.35Å; N213-L215 PolarHBondContact O-N 3.29Å; N213-L215 WeakPolarHBondContact OD1-CB 3.27Å; N213-L215 PolarHBondContact OD1-N 3.2Å
216K96.4Very high95.9Very high81 Ų8132.9 Ų32.935%0.35218%0.182SC..Hα-helixtrans-93.4-34.9175.9-69.5-177.5169.5-175.60112.2I185 T205 L206 I207 N213 L214 P219 R225I185-K216 HydrophobicContact CD1-CB 4.03Å; T205-K216 HydrophobicContact CG2-CB 4.24Å; T205-K216 HydrophobicContact CG2-CD 3.66Å; T205-K216 HydrophobicContact CG2-CG 3.95Å; L206-K216 PolarHBondContact O-NZ 3.34Å; I207-K216 HydrophobicContact CD1-CB 3.58Å; I207-K216 HydrophobicContact CD1-CD 3.49Å; I207-K216 VanDerWaalsContact CD1-CD 3.49Å; I207-K216 HydrophobicContact CD1-CG 4.2Å; I207-K216 HydrophobicContact CG1-CB 4.41Å; I207-K216 HydrophobicContact CG1-CD 3.48Å; I207-K216 VanDerWaalsContact CG1-CD 3.48Å; N213-K216 HydrophobicContact CB-CB 4.48Å; N213-K216 HydrophobicContact CB-CD 4.4Å; N213-K216 HydrophobicContact CB-CG 4.46Å; N213-K216 PolarHBondContact O-N 3.09Å; N213-K216 VanDerWaalsContact O-N 3.07Å; L214-K216 PolarHBondContact O-N 3.25Å; L214-K216 VanDerWaalsContact O-N 3.16Å; K216-P219 WeakPolarHBondContact O-CD 3.33Å; K216-P219 WeakPolarHBondContact O-CG 3.33Å; K216-R225 WeakPolarHBondContact O-CD 3.41Å; K216-R225 PolarHBondContact O-NH1 3.32Å
217L96.8Very high95.9Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-75.8-39.3178.1-73.5171.5000113I101 A104 I105 I185 I187 L212 N213 L214 P219 R225I101-L217 HydrophobicContact CG2-CD1 4.13Å; A104-L217 HydrophobicContact CB-CB 3.98Å; A104-L217 HydrophobicContact CB-CD1 4.36Å; I105-L217 HydrophobicContact CG1-CD1 4Å; I185-L217 HydrophobicContact CD1-CD2 4.11Å; I187-L217 HydrophobicContact CD1-CD2 4.06Å; L212-L217 HydrophobicContact CB-CD1 4.28Å; L212-L217 HydrophobicContact CD2-CD1 4.31Å; N213-L217 PolarHBondContact O-N 2.74Å; L214-L217 PolarHBondContact O-N 3.07Å; L217-P219 VanDerWaalsContact C-CD 3.43Å; L217-P219 WeakPolarHBondContact O-CD 3.5Å; L217-R225 WeakPolarHBondContact O-CB 3.21Å
218A97.1Very high95.9Very high0 Ų031.5 Ų31.50%018%0.175CC..SBendtrans-124.366.5176.100000112L14 H18 L214 G220 G221 H222L14-A218 HydrophobicContact CD1-CB 4.03Å; L14-A218 HydrophobicContact CD2-CB 3.76Å; L14-A218 HydrophobicContact CG-CB 4.38Å; H18-A218 PolarHBondContact CD2-O 2.95Å; H18-A218 PolarHBondContact NE2-O 3.38Å; L214-A218 PolarHBondContact O-N 2.77Å; A218-G220 PolarHBondContact O-N 3Å; A218-G220 VanDerWaalsContact O-N 3.11Å; A218-G221 PolarHBondContact O-N 3.37Å; A218-H222 CarbonylContact C-O 3.49Å; A218-H222 WeakPolarHBondContact CA-O 3.04Å; A218-H222 WeakPolarHBondContact CB-O 3.49Å
219P96.3Very high96Very high26 Ų2629.7 Ų29.717%0.16917%0.165CC..THydrogen-bonded Turntrans-58.1116.8-178.8-23.333000112.3R182 K216 L217R182-P219 HydrophobicContact CG-CB 4.46Å; K216-P219 WeakPolarHBondContact O-CD 3.33Å; K216-P219 WeakPolarHBondContact O-CG 3.33Å; L217-P219 VanDerWaalsContact C-CD 3.43Å; L217-P219 WeakPolarHBondContact O-CD 3.5Å
220G94.9Very high96Very high47 Ų4729.8 Ų29.849%0.48517%0.166SC..THydrogen-bonded Turntrans92.60.3-178.800000114.6H18 A218 H222H18-G220 VanDerWaalsContact CE1-C 3.43Å; H18-G220 VanDerWaalsContact CE1-CA 3.5Å; H18-G220 WeakPolarHBondContact CE1-CA 3.04Å; H18-G220 PolarHBondContact NE2-N 3.04Å; A218-G220 PolarHBondContact O-N 3Å; A218-G220 VanDerWaalsContact O-N 3.11Å; G220-H222 VanDerWaalsContact C-N 3.33Å
221G95.7Very high96.1Very high0 Ų025.2 Ų25.20%015%0.148CC..SBendtrans92.4-12.8-172.200000113.4L11 L14 N15 H18 A218 M223L11-G221 WeakPolarHBondContact CD1-O 3.33Å; L14-G221 WeakPolarHBondContact CD2-O 3.44Å; N15-G221 WeakPolarHBondContact OD1-CA 3.43Å; N15-G221 PolarHBondContact OD1-O 3.31Å; N15-G221 VanDerWaalsContact OD1-O 3.04Å; H18-G221 PolarHBondContact CE1-N 3.28Å; H18-G221 PolarHBondContact NE2-N 3.49Å; A218-G221 PolarHBondContact O-N 3.37Å; G221-M223 PolarHBondContact O-N 3.46Å
222H96.7Very high96.3Very high122 Ų12222.5 Ų22.557%0.56513%0.125SC*.  trans-77.8118.3173.9-54.4-76.9000110.4R117 A218 G220R117-H222 VanDerWaalsContact CD-O 3.27Å; R117-H222 WeakPolarHBondContact CD-O 3.33Å; R117-H222 HydrophobicContact CG-CB 4.32Å; R117-H222 PolarHBondContact NE-O 3.04Å; A218-H222 CarbonylContact C-O 3.49Å; A218-H222 WeakPolarHBondContact CA-O 3.04Å; A218-H222 WeakPolarHBondContact CB-O 3.49Å; G220-H222 VanDerWaalsContact C-N 3.33Å
223M94.1Very high96.3Very high18 Ų1821.8 Ų21.89%0.08912%0.121CC..  trans-72173.8170.763.7175.756.100111.7L9 L11 L14 A107 L113 R117 G221L9-M223 HydrophobicContact CB-SD 4.39Å; L11-M223 HydrophobicContact CB-CE 3.9Å; L11-M223 HydrophobicContact CD1-CE 4.12Å; L11-M223 HydrophobicContact CD1-CG 4.42Å; L14-M223 HydrophobicContact CD1-CB 4.17Å; L14-M223 HydrophobicContact CD1-CE 4.05Å; A107-M223 HydrophobicContact CB-CB 3.64Å; A107-M223 HydrophobicContact CB-CG 3.91Å; A107-M223 HydrophobicContact CB-SD 3.86Å; L113-M223 HydrophobicContact CD1-CG 4.24Å; L113-M223 HydrophobicContact CD1-SD 3.84Å; R117-M223 WeakPolarHBondContact CD-O 3.19Å; G221-M223 PolarHBondContact O-N 3.46Å
224G95.7Very high96.4Very high0 Ų020.7 Ų20.70%011%0.114CC..  trans80.265.2-176.800000113.2A107 R117A107-G224 WeakPolarHBondContact O-CA 3.3Å; R117-G224 WeakPolarHBondContact CB-O 3.17Å; R117-G224 WeakPolarHBondContact CD-O 3.44Å; R117-G224 PolarHBondContact NH1-O 3.42Å
225R96.5Very high96.2Very high2 Ų228.9 Ų28.91%0.00815%0.145CC..  trans-94.1136.5167.2-171.9160.5-169.2-168-5.9110.2T108 R117 G183 P184 I185 G203 T205 K216 L217 A227T108-R225 WeakPolarHBondContact CB-O 3.27Å; T108-R225 VanDerWaalsContact CG2-O 3.28Å; T108-R225 WeakPolarHBondContact CG2-O 3.47Å; R117-R225 VanDerWaalsContact NH1-CA 3.27Å; R117-R225 VanDerWaalsContact NH1-CB 3.29Å; G183-R225 PolarHBondContact O-NE 2.98Å; G183-R225 VanDerWaalsContact O-NE 3.14Å; G183-R225 PolarHBondContact O-NH2 3.09Å; P184-R225 PolarHBondContact O-NH2 3.14Å; I185-R225 HydrophobicContact CB-CG 4.23Å; I185-R225 HydrophobicContact CG2-CB 4.49Å; I185-R225 HydrophobicContact CG2-CG 3.88Å; G203-R225 PolarHBondContact O-NH2 3.11Å; T205-R225 PolarHBondContact OG1-NH1 3.38Å; T205-R225 PolarHBondContact OG1-NH2 3.17Å; K216-R225 WeakPolarHBondContact O-CD 3.41Å; K216-R225 PolarHBondContact O-NH1 3.32Å; L217-R225 WeakPolarHBondContact O-CB 3.21Å; R225-A227 PolarHBondContact O-N 3.31Å
226L96.9Very high96.1Very high0 Ų027.6 Ų27.60%014%0.138CC..  trans-59.8104.4167.917455.7000108.4V114 H119 V121 L127 D156 P184 I185V114-L226 HydrophobicContact CG1-CB 3.97Å; H119-L226 HydrophobicContact CB-CB 4.04Å; H119-L226 PolarHBondContact CD2-N 2.98Å; V121-L226 HydrophobicContact CG1-CB 4.41Å; V121-L226 HydrophobicContact CG1-CD1 3.78Å; V121-L226 HydrophobicContact CG1-CD2 3.92Å; V121-L226 HydrophobicContact CG1-CG 4.24Å; L127-L226 HydrophobicContact CD2-CD1 3.83Å; D156-L226 HydrophobicContact CB-CD2 4.07Å; P184-L226 CarbonylContact C-O 3.5Å; P184-L226 WeakPolarHBondContact CA-O 3.45Å; P184-L226 HydrophobicContact CB-CD2 4.08Å; P184-L226 HydrophobicContact CB-CG 4.05Å; I185-L226 PolarHBondContact N-O 3.29Å
227A97.1Very high96Very high1 Ų123.7 Ų23.71%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-107.5127.6-179.100000110.1T108 I185 I187 R225 W229T108-A227 HydrophobicContact CG2-CB 3.89Å; I185-A227 HydrophobicContact CG2-CB 3.61Å; I185-A227 WeakPolarHBondContact O-CA 3.35Å; I187-A227 HydrophobicContact CD1-CB 4.19Å; R225-A227 PolarHBondContact O-N 3.31Å; A227-W229 HydrophobicContact CB-CZ2 4.41Å
228I96.9Very high95.8Very high3 Ų326 Ų262%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-106.3112.7175.2-54.9-178.5000105.7L129 L131 L148 A153 P184 I185 V186 I187L129-I228 HydrophobicContact CD2-CG1 3.98Å; L131-I228 HydrophobicContact CD1-CG2 3.27Å; L131-I228 HydrophobicContact CG-CG2 3.76Å; L148-I228 HydrophobicContact CD2-CD1 3.72Å; A153-I228 HydrophobicContact CB-CD1 4.49Å; P184-I228 HydrophobicContact CB-CD1 3.75Å; P184-I228 HydrophobicContact CB-CG1 4.12Å; P184-I228 HydrophobicContact CG-CD1 4.17Å; I185-I228 PolarHBondContact O-N 2.86Å; V186-I228 WeakPolarHBondContact CA-O 3.45Å; V186-I228 HydrophobicContact CG2-CB 4.32Å; V186-I228 HydrophobicContact CG2-CD1 4.34Å; I187-I228 PolarHBondContact N-O 3.49Å
229W97.5Very high95.6Very high1 Ų132.7 Ų32.70%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-100.3140.1-179.2-5987.1000109.8F5 I105 L129 V130 L131 I187 V209 L212 A227 F234 L237F5-W229 HydrophobicContact CZ-CZ2 4.13Å; I105-W229 HydrophobicContact CG1-CH2 4.45Å; I105-W229 HydrophobicContact CG2-CH2 3.99Å; I105-W229 HydrophobicContact CG2-CZ2 3.97Å; L129-W229 PolarHBondContact O-N 3.13Å; V130-W229 CarbonylContact C-O 3.59Å; V130-W229 WeakPolarHBondContact CA-O 3.41Å; V130-W229 HydrophobicContact CG2-CB 4.35Å; L131-W229 PolarHBondContact N-O 3.12Å; I187-W229 HydrophobicContact CB-CD2 4.26Å; I187-W229 HydrophobicContact CB-CE3 3.8Å; I187-W229 HydrophobicContact CB-CZ3 4.07Å; I187-W229 HydrophobicContact CD1-CD2 4.1Å; I187-W229 HydrophobicContact CD1-CE3 4.01Å; I187-W229 HydrophobicContact CD1-CH2 3.54Å; I187-W229 HydrophobicContact CD1-CZ2 3.63Å; I187-W229 HydrophobicContact CD1-CZ3 3.74Å; I187-W229 HydrophobicContact CG2-CE3 3.59Å; I187-W229 HydrophobicContact CG2-CH2 4.36Å; I187-W229 HydrophobicContact CG2-CZ3 3.5Å; V209-W229 HydrophobicContact CG1-CZ3 4.41Å; L212-W229 HydrophobicContact CD1-CH2 4.47Å; A227-W229 HydrophobicContact CB-CZ2 4.41Å; W229-F234 HydrophobicContact CB-CB 4.3Å; W229-F234 HydrophobicContact CB-CD2 4.02Å; W229-F234 HydrophobicContact CD2-CD2 4.11Å; W229-F234 AromaticContact CG-CD2 3.88Å; W229-F234 HydrophobicContact CG-CD2 3.88Å; W229-F234 HydrophobicContact CG-CE2 4.47Å; W229-L237 HydrophobicContact CE3-CD1 4.17Å; W229-L237 HydrophobicContact CH2-CD1 3.9Å; W229-L237 HydrophobicContact CH2-CD2 4.03Å; W229-L237 HydrophobicContact CH2-CG 4.48Å; W229-L237 HydrophobicContact CZ2-CD1 4.46Å; W229-L237 HydrophobicContact CZ3-CD1 3.73Å; W229-L237 HydrophobicContact CZ3-CD2 3.83Å; W229-L237 HydrophobicContact CZ3-CG 4.06Å
230S96.9Very high95.4Very high5 Ų531.9 Ų31.94%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-74.2149.2156.667.20000109.4L131 E136 I187 S232 A233 F234L131-S230 CarbonylContact O-C 3.52Å; E136-S230 WeakPolarHBondContact OE1-CB 3.47Å; E136-S230 PolarHBondContact OE1-OG 2.67Å; I187-S230 PolarHBondContact O-N 3.37Å; S230-S232 PolarHBondContact O-N 2.86Å; S230-S232 PolarHBondContact OG-OG 2.63Å; S230-A233 WeakPolarHBondContact O-CA 3.19Å; S230-A233 WeakPolarHBondContact O-CB 3.5Å; S230-A233 PolarHBondContact O-N 2.84Å; S230-A233 WeakPolarHBondContact OG-CB 3.5Å; S230-A233 PolarHBondContact OG-N 3.09Å; S230-A233 VanDerWaalsContact OG-N 3.14Å; S230-F234 WeakPolarHBondContact O-CB 3.34Å; S230-F234 PolarHBondContact O-N 2.81Å
231D96Very high95.3Very high43 Ų4330 Ų3023%0.2314%0.135CC..Hα-helixtrans-53-44.3173.3166.480.5000111.3V130 L131 A233 F234 R235V130-D231 HydrophobicContact CG1-CB 4.22Å; L131-D231 PolarHBondContact O-N 2.66Å; D231-A233 PolarHBondContact O-N 3.07Å; D231-F234 PolarHBondContact O-N 2.97Å; D231-F234 VanDerWaalsContact O-N 3.14Å; D231-R235 VanDerWaalsContact CG-NE 3.26Å; D231-R235 WeakPolarHBondContact O-CG 3.5Å; D231-R235 PolarHBondContact O-N 2.8Å; D231-R235 IonicContact OD1-CZ 3.45Å; D231-R235 VanDerWaalsContact OD1-CZ 3.24Å; D231-R235 IonicContact OD1-NE 2.66Å; D231-R235 PolarHBondContact OD1-NE 2.91Å; D231-R235 IonicContact OD1-NH2 3.44Å; D231-R235 PolarHBondContact OD1-NH2 3.44Å; D231-R235 IonicContact OD2-CZ 3.85Å; D231-R235 IonicContact OD2-NE 3.77Å; D231-R235 PolarHBondContact OD2-NE 3.02Å; D231-R235 IonicContact OD2-NH2 2.66Å; D231-R235 PolarHBondContact OD2-NH2 3.35Å
232S95.9Very high95.2Very high10 Ų1030.1 Ų30.17%0.0714%0.136CC..Hα-helixtrans-62.4-32179.487.10000112.2E136 K189 S230E136-S232 PolarHBondContact OE1-OG 3.11Å; E136-S232 PolarHBondContact OE2-OG 3.23Å; K189-S232 WeakPolarHBondContact CB-OG 3.36Å; K189-S232 VanDerWaalsContact CD-O 3.27Å; K189-S232 WeakPolarHBondContact CD-O 3.28Å; S230-S232 PolarHBondContact O-N 2.86Å; S230-S232 PolarHBondContact OG-OG 2.63Å
233A96.5Very high94.9Very high0 Ų026.3 Ų26.30%012%0.121CC..Hα-helixtrans-75-44.3173.200000112.6I187 V209 S230 D231 Q236I187-A233 HydrophobicContact CG2-CB 4.43Å; I187-A233 WeakPolarHBondContact O-CB 3.5Å; V209-A233 VanDerWaalsContact CG2-CA 3.5Å; V209-A233 HydrophobicContact CG2-CB 3.25Å; S230-A233 WeakPolarHBondContact O-CA 3.19Å; S230-A233 WeakPolarHBondContact O-CB 3.5Å; S230-A233 PolarHBondContact O-N 2.84Å; S230-A233 WeakPolarHBondContact OG-CB 3.5Å; S230-A233 PolarHBondContact OG-N 3.09Å; S230-A233 VanDerWaalsContact OG-N 3.14Å; D231-A233 PolarHBondContact O-N 3.07Å; A233-Q236 WeakPolarHBondContact O-CB 3.2Å; A233-Q236 PolarHBondContact O-N 3.09Å; A233-Q236 VanDerWaalsContact O-N 3.09Å
234F96.1Very high94.5Very high27 Ų2734.6 Ų34.612%0.11815%0.152CC..Hα-helixtrans-61.4-48.5-177.8-161.9-114.4000111.2M1 P2 F5 P128 V130 W229 S230 D231 Q236 L237M1-F234 HydrophobicContact SD-CE1 4.27Å; M1-F234 HydrophobicContact SD-CZ 3.67Å; P2-F234 VanDerWaalsContact CD-CZ 3.42Å; P2-F234 HydrophobicContact CG-CD1 3.97Å; P2-F234 HydrophobicContact CG-CD2 4.39Å; P2-F234 HydrophobicContact CG-CE1 3.88Å; P2-F234 HydrophobicContact CG-CE2 4.3Å; P2-F234 HydrophobicContact CG-CG 4.25Å; P2-F234 HydrophobicContact CG-CZ 4.06Å; F5-F234 HydrophobicContact CD2-CE2 4.44Å; F5-F234 HydrophobicContact CE2-CD2 4.27Å; F5-F234 AromaticContact CE2-CE2 3.46Å; F5-F234 HydrophobicContact CE2-CE2 3.46Å; F5-F234 VanDerWaalsContact CE2-CE2 3.46Å; F5-F234 HydrophobicContact CE2-CZ 4.03Å; F5-F234 AromaticContact CZ-CE2 3.79Å; F5-F234 HydrophobicContact CZ-CE2 3.79Å; P128-F234 HydrophobicContact CB-CE2 4.08Å; P128-F234 HydrophobicContact CG-CE2 4.22Å; P128-F234 HydrophobicContact CG-CZ 4.34Å; V130-F234 HydrophobicContact CG1-CB 4.14Å; V130-F234 HydrophobicContact CG1-CD1 4.46Å; V130-F234 HydrophobicContact CG1-CG 4.31Å; V130-F234 HydrophobicContact CG2-CB 4.41Å; V130-F234 HydrophobicContact CG2-CD1 3.86Å; V130-F234 HydrophobicContact CG2-CD2 3.72Å; V130-F234 HydrophobicContact CG2-CE1 3.86Å; V130-F234 HydrophobicContact CG2-CE2 3.74Å; V130-F234 HydrophobicContact CG2-CG 3.77Å; V130-F234 HydrophobicContact CG2-CZ 3.8Å; W229-F234 HydrophobicContact CB-CB 4.3Å; W229-F234 HydrophobicContact CB-CD2 4.02Å; W229-F234 HydrophobicContact CD2-CD2 4.11Å; W229-F234 AromaticContact CG-CD2 3.88Å; W229-F234 HydrophobicContact CG-CD2 3.88Å; W229-F234 HydrophobicContact CG-CE2 4.47Å; S230-F234 WeakPolarHBondContact O-CB 3.34Å; S230-F234 PolarHBondContact O-N 2.81Å; D231-F234 PolarHBondContact O-N 2.97Å; D231-F234 VanDerWaalsContact O-N 3.14Å; F234-Q236 PolarHBondContact O-N 3.13Å; F234-L237 HydrophobicContact CD2-CD1 4.22Å; F234-L237 WeakPolarHBondContact O-CB 3.19Å; F234-L237 PolarHBondContact O-N 3.48Å; F234-L237 VanDerWaalsContact O-N 3.14Å
235R94.3Very high94.2Very high171 Ų17144.5 Ų44.565%0.64520%0.195SC*.THydrogen-bonded Turntrans-62.7-20174.4-63.7-176.3-162.5-155.65.6113.9D231D231-R235 VanDerWaalsContact CG-NE 3.26Å; D231-R235 WeakPolarHBondContact O-CG 3.5Å; D231-R235 PolarHBondContact O-N 2.8Å; D231-R235 IonicContact OD1-CZ 3.45Å; D231-R235 VanDerWaalsContact OD1-CZ 3.24Å; D231-R235 IonicContact OD1-NE 2.66Å; D231-R235 PolarHBondContact OD1-NE 2.91Å; D231-R235 IonicContact OD1-NH2 3.44Å; D231-R235 PolarHBondContact OD1-NH2 3.44Å; D231-R235 IonicContact OD2-CZ 3.85Å; D231-R235 IonicContact OD2-NE 3.77Å; D231-R235 PolarHBondContact OD2-NE 3.02Å; D231-R235 IonicContact OD2-NH2 2.66Å; D231-R235 PolarHBondContact OD2-NH2 3.35Å
236Q94.2Very high93.9Very high22 Ų2248.2 Ų48.210%0.10322%0.218CC..Hα-helixtrans-81-15178.4-172.3163.158.400113.1A233 F234 D238 K239 L240A233-Q236 WeakPolarHBondContact O-CB 3.2Å; A233-Q236 PolarHBondContact O-N 3.09Å; A233-Q236 VanDerWaalsContact O-N 3.09Å; F234-Q236 PolarHBondContact O-N 3.13Å; Q236-D238 PolarHBondContact O-N 3.15Å; Q236-K239 PolarHBondContact O-N 3.48Å; Q236-L240 HydrophobicContact CG-CD1 3.81Å; Q236-L240 HydrophobicContact CG-CG 4.01Å; Q236-L240 WeakPolarHBondContact O-CG 3.43Å; Q236-L240 PolarHBondContact O-N 3.48Å; Q236-L240 VanDerWaalsContact O-N 3.13Å
237L94.7Very high93.5Very high0 Ų049.7 Ų49.70%023%0.232CC..Hα-helixtrans-60.9-45.7-177.2-73.6172.6000113.1P2 V4 F5 I105 V209 L212 W229 F234 K239 L240 Y241P2-L237 HydrophobicContact CB-CB 3.85Å; P2-L237 HydrophobicContact CB-CD1 4.23Å; P2-L237 HydrophobicContact CG-CB 4.25Å; P2-L237 HydrophobicContact CG-CD1 4.19Å; V4-L237 HydrophobicContact CG1-CB 4.22Å; V4-L237 HydrophobicContact CG1-CD1 4.11Å; V4-L237 HydrophobicContact CG1-CD2 4.48Å; F5-L237 HydrophobicContact CE2-CD1 3.8Å; F5-L237 HydrophobicContact CZ-CD1 4.42Å; I105-L237 HydrophobicContact CD1-CD2 4.44Å; V209-L237 HydrophobicContact CG1-CD2 3.8Å; V209-L237 HydrophobicContact CG1-CG 4.38Å; L212-L237 HydrophobicContact CD1-CD2 4.05Å; W229-L237 HydrophobicContact CE3-CD1 4.17Å; W229-L237 HydrophobicContact CH2-CD1 3.9Å; W229-L237 HydrophobicContact CH2-CD2 4.03Å; W229-L237 HydrophobicContact CH2-CG 4.48Å; W229-L237 HydrophobicContact CZ2-CD1 4.46Å; W229-L237 HydrophobicContact CZ3-CD1 3.73Å; W229-L237 HydrophobicContact CZ3-CD2 3.83Å; W229-L237 HydrophobicContact CZ3-CG 4.06Å; F234-L237 HydrophobicContact CD2-CD1 4.22Å; F234-L237 WeakPolarHBondContact O-CB 3.19Å; F234-L237 PolarHBondContact O-N 3.48Å; F234-L237 VanDerWaalsContact O-N 3.14Å; L237-K239 VanDerWaalsContact C-N 3.34Å; L237-K239 PolarHBondContact O-N 2.77Å; L237-L240 WeakPolarHBondContact O-CA 3.45Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.07Å; L237-Y241 HydrophobicContact CD2-CD2 4.28Å; L237-Y241 HydrophobicContact CD2-CE2 4.1Å; L237-Y241 PolarHBondContact O-N 3.16Å
238D92.7Very high93.2Very high47 Ų4750.2 Ų50.225%0.25124%0.236SC..Hα-helixtrans-63.5-39.9179.8-64.4-48.7000111.6P2 A3 Q236 L240 G242 T243P2-D238 VanDerWaalsContact CA-OD1 3.26Å; P2-D238 WeakPolarHBondContact CA-OD1 3.16Å; P2-D238 WeakPolarHBondContact CA-OD2 2.96Å; P2-D238 WeakPolarHBondContact CB-OD1 3.31Å; A3-D238 PolarHBondContact N-OD1 2.95Å; Q236-D238 PolarHBondContact O-N 3.15Å; D238-L240 PolarHBondContact O-N 3.35Å; D238-G242 VanDerWaalsContact O-CA 3.28Å; D238-G242 WeakPolarHBondContact O-CA 3.48Å; D238-G242 PolarHBondContact O-N 3.37Å; D238-T243 HydrophobicContact CB-CG2 4.26Å
239K92Very high92.8Very high141 Ų14156 Ų5661%0.61327%0.271SS*.Hα-helixtrans-65.1-24.1173.7-60-165.6178.7-166.20113Q236 L237Q236-K239 PolarHBondContact O-N 3.48Å; L237-K239 VanDerWaalsContact C-N 3.34Å; L237-K239 PolarHBondContact O-N 2.77Å
240L92.9Very high92.2Very high9 Ų961.7 Ų61.75%0.04730%0.296CS..Hα-helixtrans-92.4-26.1-178.3-78.8171000114.5V209 Q236 L237 D238 K250 K251V209-L240 HydrophobicContact CB-CD1 3.93Å; V209-L240 HydrophobicContact CG1-CD1 3.54Å; V209-L240 WeakPolarHBondContact O-CD1 3.43Å; Q236-L240 HydrophobicContact CG-CD1 3.81Å; Q236-L240 HydrophobicContact CG-CG 4.01Å; Q236-L240 WeakPolarHBondContact O-CG 3.43Å; Q236-L240 PolarHBondContact O-N 3.48Å; Q236-L240 VanDerWaalsContact O-N 3.13Å; L237-L240 WeakPolarHBondContact O-CA 3.45Å; L237-L240 WeakPolarHBondContact O-CB 3.37Å; L237-L240 PolarHBondContact O-N 3.07Å; D238-L240 PolarHBondContact O-N 3.35Å; L240-K250 HydrophobicContact CD2-CB 4.08Å; L240-K250 HydrophobicContact CD2-CD 3.87Å; L240-K250 HydrophobicContact CD2-CG 4.02Å; L240-K251 WeakPolarHBondContact O-CD 3.35Å; L240-K251 WeakPolarHBondContact O-CE 3.35Å; L240-K251 PolarHBondContact O-NZ 3Å
241Y92.8Very high91.9Very high9 Ų963.1 Ų63.14%0.03530%0.302CS..Hα-helixtrans-125.1-9.3-174-68.8-90.1000114.1V4 I101 C102 I105 L212 L237 S248 F254 L256V4-Y241 HydrophobicContact CG2-CD1 4.32Å; V4-Y241 HydrophobicContact CG2-CD2 4.4Å; V4-Y241 HydrophobicContact CG2-CG 4.09Å; I101-Y241 HydrophobicContact CG2-CE1 4.36Å; I101-Y241 WeakPolarHBondContact CG2-OH 3.46Å; C102-Y241 WeakPolarHBondContact SG-CD1 3.41Å; I105-Y241 HydrophobicContact CD1-CE1 4.35Å; I105-Y241 HydrophobicContact CD1-CE2 3.84Å; L212-Y241 HydrophobicContact CD1-CE2 4.11Å; L237-Y241 HydrophobicContact CD2-CD2 4.28Å; L237-Y241 HydrophobicContact CD2-CE2 4.1Å; L237-Y241 PolarHBondContact O-N 3.16Å; Y241-S248 WeakPolarHBondContact O-CB 3.41Å; Y241-F254 AromaticContact CD1-CE1 3.91Å; Y241-F254 HydrophobicContact CD1-CE1 3.91Å; Y241-L256 WeakPolarHBondContact O-CD2 3.32Å
242G91.9Very high91.6Very high1 Ų166.7 Ų66.71%0.0133%0.33CS..  trans84.1173.2-173.700000111.8D238 T246 S248 L256D238-G242 VanDerWaalsContact O-CA 3.28Å; D238-G242 WeakPolarHBondContact O-CA 3.48Å; D238-G242 PolarHBondContact O-N 3.37Å; G242-T246 CarbonylContact C-O 3.5Å; G242-T246 VanDerWaalsContact CA-O 3.24Å; G242-T246 WeakPolarHBondContact CA-O 3.47Å; G242-S248 VanDerWaalsContact N-CB 3.32Å; G242-L256 WeakPolarHBondContact O-CD1 3.37Å
243T92Very high91.2Very high43 Ų4369.2 Ų69.226%0.26436%0.357SS..  trans-104-168.4166.571.20000109.9A3 D238 K245 T246A3-T243 HydrophobicContact CB-CG2 4.43Å; D238-T243 HydrophobicContact CB-CG2 4.26Å; T243-K245 VanDerWaalsContact C-N 3.33Å; T243-K245 PolarHBondContact OG1-N 2.79Å; T243-T246 PolarHBondContact N-O 3.42Å; T243-T246 PolarHBondContact OG1-N 3.26Å; T243-T246 PolarHBondContact OG1-OG1 2.84Å
244R85.8Confident91.1Very high192 Ų19269.9 Ų69.973%0.72536%0.36SS*.SBendtrans-72.6-26.8168.5-69.3-173.5178.5-160.8-3112.8T6T6-R244 PolarHBondContact OG1-NE 3.27Å; T6-R244 PolarHBondContact OG1-NH2 3.44Å
245K88Confident90.9Very high208 Ų20874.5 Ų74.590%0.90438%0.382SS*.SBendtrans-94.1-33.1-179.4-64.7-172.1177-172.50112.7T243T243-K245 VanDerWaalsContact C-N 3.33Å; T243-K245 PolarHBondContact OG1-N 2.79Å
246T90.3Very high90.8Very high80 Ų8067.1 Ų67.149%0.49136%0.355SS..SBendtrans-116.9130-173.952.60000111.7G242 T243G242-T246 CarbonylContact C-O 3.5Å; G242-T246 VanDerWaalsContact CA-O 3.24Å; G242-T246 WeakPolarHBondContact CA-O 3.47Å; T243-T246 PolarHBondContact N-O 3.42Å; T243-T246 PolarHBondContact OG1-N 3.26Å; T243-T246 PolarHBondContact OG1-OG1 2.84Å
247G88.8Confident90.8Very high30 Ų3067.1 Ų67.131%0.30936%0.357SS..  trans-60163.6170.300000112.5V249G247-V249 PolarHBondContact O-N 3.28Å
248S90.4Very high90.7Very high12 Ų1274.5 Ų74.58%0.08440%0.395CS..  trans-76.8126.3-175.8890000112.4Y241 G242 K250 K251 F254Y241-S248 WeakPolarHBondContact O-CB 3.41Å; G242-S248 VanDerWaalsContact N-CB 3.32Å; S248-K250 VanDerWaalsContact C-N 3.27Å; S248-K250 PolarHBondContact O-N 3Å; S248-K251 PolarHBondContact O-N 3Å; S248-K251 VanDerWaalsContact OG-CB 3.26Å; S248-K251 WeakPolarHBondContact OG-CB 3.2Å; S248-K251 PolarHBondContact OG-N 2.83Å; S248-K251 PolarHBondContact OG-O 2.77Å; S248-F254 PolarHBondContact N-O 3.39Å
249V89Confident90.7Very high125 Ų12574.6 Ų74.676%0.75840%0.402SS*.THydrogen-bonded Turntrans-60.2-35.9-179.3-173.60000112.2G247G247-V249 PolarHBondContact O-N 3.28Å
250K85.5Confident90.7Very high120 Ų12078.1 Ų78.152%0.52242%0.418SS..THydrogen-bonded Turntrans-95.1-10.2-172.6-62.3-128.2-179.4-162.50115.7L240 S248L240-K250 HydrophobicContact CD2-CB 4.08Å; L240-K250 HydrophobicContact CD2-CD 3.87Å; L240-K250 HydrophobicContact CD2-CG 4.02Å; S248-K250 VanDerWaalsContact C-N 3.27Å; S248-K250 PolarHBondContact O-N 3Å
251K89.3Confident90.7Very high36 Ų3682.6 Ų82.616%0.15744%0.44CS..SBendtrans-131.199-177.8-55161.7-176.5147.20108.1L240 S248 G253 F254L240-K251 WeakPolarHBondContact O-CD 3.35Å; L240-K251 WeakPolarHBondContact O-CE 3.35Å; L240-K251 PolarHBondContact O-NZ 3Å; S248-K251 PolarHBondContact O-N 3Å; S248-K251 VanDerWaalsContact OG-CB 3.26Å; S248-K251 WeakPolarHBondContact OG-CB 3.2Å; S248-K251 PolarHBondContact OG-N 2.83Å; S248-K251 PolarHBondContact OG-O 2.77Å; K251-G253 PolarHBondContact O-N 3.01Å; K251-F254 HydrophobicContact CB-CB 3.81Å; K251-F254 HydrophobicContact CB-CG 4.49Å; K251-F254 HydrophobicContact CD-CD1 4.23Å; K251-F254 HydrophobicContact CD-CG 4.47Å; K251-F254 VanDerWaalsContact O-CB 3.31Å; K251-F254 WeakPolarHBondContact O-CB 3.43Å; K251-F254 PolarHBondContact O-N 3.18Å; K251-F254 VanDerWaalsContact O-N 3.08Å
252S90.1Very high90.7Very high117 Ų11789.3 Ų89.382%0.81848%0.482SS*.THydrogen-bonded Turntrans-48137.3176.3-177.40000111.5R98 F254R98-S252 PolarHBondContact NH1-O 3.43Å; S252-F254 PolarHBondContact O-N 2.83Å; S252-F254 VanDerWaalsContact O-N 3.17Å
253G88.4Confident90.7Very high63 Ų6391.4 Ų91.465%0.64949%0.492SS*.THydrogen-bonded Turntrans63.110.7-178.500000116.4K251K251-G253 PolarHBondContact O-N 3.01Å
254F93.3Very high90.7Very high14 Ų1495 Ų956%0.06152%0.516CS..  trans-99.4123.6-177-172.3-102.7000113.6R98 Y241 S248 K251 S252R98-F254 HydrophobicContact CB-CD2 3.98Å; R98-F254 HydrophobicContact CB-CE2 3.4Å; R98-F254 HydrophobicContact CB-CZ 3.81Å; R98-F254 VanDerWaalsContact CD-CD2 3.44Å; R98-F254 HydrophobicContact CG-CD2 4.31Å; R98-F254 HydrophobicContact CG-CE2 4.2Å; Y241-F254 AromaticContact CD1-CE1 3.91Å; Y241-F254 HydrophobicContact CD1-CE1 3.91Å; S248-F254 PolarHBondContact N-O 3.39Å; K251-F254 HydrophobicContact CB-CB 3.81Å; K251-F254 HydrophobicContact CB-CG 4.49Å; K251-F254 HydrophobicContact CD-CD1 4.23Å; K251-F254 HydrophobicContact CD-CG 4.47Å; K251-F254 VanDerWaalsContact O-CB 3.31Å; K251-F254 WeakPolarHBondContact O-CB 3.43Å; K251-F254 PolarHBondContact O-N 3.18Å; K251-F254 VanDerWaalsContact O-N 3.08Å; S252-F254 PolarHBondContact O-N 2.83Å; S252-F254 VanDerWaalsContact O-N 3.17Å
255H92.6Very high91.1Very high124 Ų12489.6 Ų89.657%0.57450%0.502SS*.  trans-114.6155.5169.6-64.293.2000110.1
256L93.1Very high91.4Very high16 Ų1684.6 Ų84.68%0.08449%0.485CS..PPolyproline II helixtrans-63.3141.1173.2-70-178.4000110.5A3 V4 T7 Y241 G242 I258A3-L256 HydrophobicContact CB-CD1 3.59Å; V4-L256 HydrophobicContact CB-CD2 4.34Å; V4-L256 HydrophobicContact CG2-CD2 4.24Å; T7-L256 HydrophobicContact CG2-CB 4.22Å; T7-L256 HydrophobicContact CG2-CD1 4.45Å; T7-L256 HydrophobicContact CG2-CD2 3.86Å; T7-L256 HydrophobicContact CG2-CG 4.42Å; Y241-L256 WeakPolarHBondContact O-CD2 3.32Å; G242-L256 WeakPolarHBondContact O-CD1 3.37Å; L256-I258 PolarHBondContact O-N 3.44Å
257P93.3Very high91.6Very high23 Ų2382.4 Ų82.415%0.14948%0.478CS..PPolyproline II helixtrans-63129.6176.9-22.332.6000112.9P8 Y99P8-P257 WeakPolarHBondContact CD-O 3.41Å; Y99-P257 HydrophobicContact CD1-CG 4.1Å; Y99-P257 HydrophobicContact CD2-CB 3.66Å; Y99-P257 HydrophobicContact CD2-CG 3.5Å; Y99-P257 VanDerWaalsContact CD2-CG 3.5Å; Y99-P257 HydrophobicContact CE1-CB 4.2Å; Y99-P257 HydrophobicContact CE1-CG 4.27Å; Y99-P257 HydrophobicContact CE2-CB 3.32Å; Y99-P257 HydrophobicContact CE2-CG 3.73Å; Y99-P257 HydrophobicContact CG-CB 4.23Å; Y99-P257 HydrophobicContact CG-CG 3.68Å
258I91.7Very high91.9Very high155 Ų15589.7 Ų89.780%0.79550%0.496SS*.PPolyproline II helixtrans-75.6139.8176.6-56.6173.7000109.4L256L256-I258 PolarHBondContact O-N 3.44Å
259A93Very high92Very high48 Ų4892.4 Ų92.440%0.39751%0.509SS..PPolyproline II helixtrans-77.2133.4173.100000110.2P8 M261P8-A259 HydrophobicContact CG-CB 3.92Å; A259-M261 VanDerWaalsContact CB-O 3.27Å; A259-M261 WeakPolarHBondContact CB-O 3.21Å; A259-M261 PolarHBondContact O-N 3.39Å
260K93Very high92.2Very high216 Ų21691.3 Ų91.394%0.93950%0.499SS*.SBendtrans-70.4-17174.7-71.9-165.9171.9-163.50113.5
261M92Very high92.5Very high103 Ų10393 Ų9351%0.50751%0.508SS..SBendtrans-128.7141.1175.8-66.4-179.971.600108.5A259 L266 L269A259-M261 VanDerWaalsContact CB-O 3.27Å; A259-M261 WeakPolarHBondContact CB-O 3.21Å; A259-M261 PolarHBondContact O-N 3.39Å; M261-L266 HydrophobicContact CE-CD2 3.69Å; M261-L269 HydrophobicContact CE-CD1 4.3Å
262T92.3Very high92.8Very high150 Ų15092.9 Ų92.992%0.9251%0.512SS*.SBendtrans-73.8-41.6179.846.50000112.2
263N92.2Very high93Very high44 Ų4497.3 Ų97.324%0.23551%0.51CS..  trans-122127176.7-178.814.8000110D265 L269N263-D265 VanDerWaalsContact C-N 3.35Å; N263-D265 PolarHBondContact ND2-O 2.67Å; N263-D265 WeakPolarHBondContact OD1-CB 3.36Å; N263-D265 PolarHBondContact OD1-N 3.24Å; N263-L269 HydrophobicContact CB-CD1 4.34Å; N263-L269 HydrophobicContact CB-CD2 4.4Å; N263-L269 HydrophobicContact CB-CG 4.44Å
264P92.1Very high93.3Very high118 Ų118100.8 Ų100.877%0.76651%0.509SS*.SBendtrans-77.8-15.3173.432.1-36.4000114L266P264-L266 PolarHBondContact O-N 3.22Å; P264-L266 VanDerWaalsContact O-N 3.09Å
265D94.6Very high93.3Very high79 Ų79102.6 Ų102.642%0.42252%0.522SS..  trans-78.691.8177.6-178.30.3000111N263 G267 R268 L269N263-D265 VanDerWaalsContact C-N 3.35Å; N263-D265 PolarHBondContact ND2-O 2.67Å; N263-D265 WeakPolarHBondContact OD1-CB 3.36Å; N263-D265 PolarHBondContact OD1-N 3.24Å; D265-G267 PolarHBondContact O-N 3.35Å; D265-G267 WeakPolarHBondContact OD1-CA 3.15Å; D265-G267 PolarHBondContact OD1-N 2.95Å; D265-R268 HydrophobicContact CB-CB 4.21Å; D265-R268 PolarHBondContact O-N 3.48Å; D265-R268 PolarHBondContact OD1-N 2.96Å; D265-R268 VanDerWaalsContact OD2-CB 3.23Å; D265-R268 WeakPolarHBondContact OD2-CB 3.47Å; D265-L269 WeakPolarHBondContact O-CG 3.47Å; D265-L269 PolarHBondContact O-N 3.25Å
266L93.7Very high93.3Very high104 Ų10499.4 Ų99.455%0.54551%0.513SS..Hα-helixtrans-61.5-30.9172.7-67.8176000112.7M261 P264 L269 L270M261-L266 HydrophobicContact CE-CD2 3.69Å; P264-L266 PolarHBondContact O-N 3.22Å; P264-L266 VanDerWaalsContact O-N 3.09Å; L266-L269 PolarHBondContact O-N 3.3Å; L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.38Å; L266-L270 PolarHBondContact O-N 3.02Å
267G95Very high93.4Very high33 Ų33102.9 Ų102.934%0.3454%0.539SS..Hα-helixtrans-62.6-50.2178.700000110.5D265 L269 L270 H271D265-G267 PolarHBondContact O-N 3.35Å; D265-G267 WeakPolarHBondContact OD1-CA 3.15Å; D265-G267 PolarHBondContact OD1-N 2.95Å; G267-L269 VanDerWaalsContact C-N 3.34Å; G267-L269 PolarHBondContact O-N 3.06Å; G267-L270 PolarHBondContact O-N 2.66Å; G267-H271 PolarHBondContact O-N 3.36Å; G267-H271 VanDerWaalsContact O-N 3.13Å; G267-H271 PolarHBondContact O-ND1 3.44Å
268R94.7Very high93.4Very high184 Ų184107.5 Ų107.569%0.69457%0.566SS**Hα-helixtrans-62.3-36.8174.9179.7173.2179.7165.42.4113.4D265 C272D265-R268 HydrophobicContact CB-CB 4.21Å; D265-R268 PolarHBondContact O-N 3.48Å; D265-R268 PolarHBondContact OD1-N 2.96Å; D265-R268 VanDerWaalsContact OD2-CB 3.23Å; D265-R268 WeakPolarHBondContact OD2-CB 3.47Å; R268-C272 PolarHBondContact O-N 3.06Å
269L93.5Very high93.4Very high68 Ų68105.5 Ų105.536%0.35656%0.557SS.*Hα-helixtrans-69-38.6177.4-70.4173.8000112.5M261 N263 D265 L266 G267 C272M261-L269 HydrophobicContact CE-CD1 4.3Å; N263-L269 HydrophobicContact CB-CD1 4.34Å; N263-L269 HydrophobicContact CB-CD2 4.4Å; N263-L269 HydrophobicContact CB-CG 4.44Å; D265-L269 WeakPolarHBondContact O-CG 3.47Å; D265-L269 PolarHBondContact O-N 3.25Å; L266-L269 PolarHBondContact O-N 3.3Å; G267-L269 VanDerWaalsContact C-N 3.34Å; G267-L269 PolarHBondContact O-N 3.06Å; L269-C272 PolarHBondContact O-SG 2.94Å
270L92Very high93.4Very high103 Ų103111.9 Ų111.954%0.53958%0.576SS.*Hα-helixtrans-74.5-28.9-179.8-70.7169.1000113.3L266 G267 V275L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 VanDerWaalsContact O-CG 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.38Å; L266-L270 PolarHBondContact O-N 3.02Å; G267-L270 PolarHBondContact O-N 2.66Å; L270-V275 WeakPolarHBondContact O-CG1 3.43Å
271H93.2Very high93.1Very high154 Ų154106.9 Ų106.971%0.71357%0.568SS**THydrogen-bonded Turntrans-97.910.6178.5-60.289.2000113.3G267G267-H271 PolarHBondContact O-N 3.36Å; G267-H271 VanDerWaalsContact O-N 3.13Å; G267-H271 PolarHBondContact O-ND1 3.44Å
272C94.7Very high92.9Very high35 Ų35110.3 Ų110.324%0.23658%0.575CS.*SBendtrans-67.4156173.681.70000110.3R268 L269 E274 V275 S276R268-C272 PolarHBondContact O-N 3.06Å; L269-C272 PolarHBondContact O-SG 2.94Å; C272-E274 VanDerWaalsContact C-N 3.26Å; C272-E274 VanDerWaalsContact CB-OE2 3.28Å; C272-E274 WeakPolarHBondContact CB-OE2 3.27Å; C272-E274 PolarHBondContact O-N 2.98Å; C272-E274 PolarHBondContact SG-OE2 3.4Å; C272-V275 PolarHBondContact O-N 3.21Å; C272-V275 VanDerWaalsContact SG-CG2 3.56Å; C272-S276 VanDerWaalsContact O-CB 3.28Å; C272-S276 WeakPolarHBondContact O-CB 3.24Å; C272-S276 PolarHBondContact O-N 3.49Å; C272-S276 PolarHBondContact O-OG 3.4Å
273R95.6Very high92.5Very high210 Ų210111 Ų11179%0.79256%0.561SS**Hα-helixtrans-62.6-37.8-173.1-177.5178.3177.2177.8-1.1111.4S276 S277R273-S276 PolarHBondContact O-N 2.96Å; R273-S277 VanDerWaalsContact O-CB 3.27Å; R273-S277 WeakPolarHBondContact O-CB 3.5Å; R273-S277 PolarHBondContact O-N 2.76Å; R273-S277 PolarHBondContact O-OG 3.19Å
274E94.6Very high92.1Very high135 Ų135113.9 Ų113.963%0.63157%0.574SS**Hα-helixtrans-66.7-35.3-176.8-5475.8-167.600112.3C272 S277C272-E274 VanDerWaalsContact C-N 3.26Å; C272-E274 VanDerWaalsContact CB-OE2 3.28Å; C272-E274 WeakPolarHBondContact CB-OE2 3.27Å; C272-E274 PolarHBondContact O-N 2.98Å; C272-E274 PolarHBondContact SG-OE2 3.4Å; E274-S277 PolarHBondContact O-OG 3.08Å
275V93.5Very high91.4Very high53 Ų53114.1 Ų114.132%0.32156%0.564SS.*Hα-helixtrans-80.8-46.7173.2171.10000110L270 C272 S277 V278 L279L270-V275 WeakPolarHBondContact O-CG1 3.43Å; C272-V275 PolarHBondContact O-N 3.21Å; C272-V275 VanDerWaalsContact SG-CG2 3.56Å; V275-S277 VanDerWaalsContact C-N 3.31Å; V275-S277 PolarHBondContact O-N 3.29Å; V275-V278 PolarHBondContact O-N 3.25Å; V275-L279 HydrophobicContact CG1-CD1 3.68Å; V275-L279 HydrophobicContact CG1-CG 4.03Å; V275-L279 WeakPolarHBondContact O-CG 3.4Å; V275-L279 PolarHBondContact O-N 3.24Å
276S91.7Very high90.3Very high56 Ų56116.2 Ų116.239%0.39258%0.575SS.*Hα-helixtrans-66.4-28.8-174.1-550000113.7C272 R273C272-S276 VanDerWaalsContact O-CB 3.28Å; C272-S276 WeakPolarHBondContact O-CB 3.24Å; C272-S276 PolarHBondContact O-N 3.49Å; C272-S276 PolarHBondContact O-OG 3.4Å; R273-S276 PolarHBondContact O-N 2.96Å
277S94.2Very high89.3Confident90 Ų90117 Ų11763%0.62958%0.576SS**THydrogen-bonded Turntrans-72.8-27176.861.10000113.7R273 E274 V275R273-S277 VanDerWaalsContact O-CB 3.27Å; R273-S277 WeakPolarHBondContact O-CB 3.5Å; R273-S277 PolarHBondContact O-N 2.76Å; R273-S277 PolarHBondContact O-OG 3.19Å; E274-S277 PolarHBondContact O-OG 3.08Å; V275-S277 VanDerWaalsContact C-N 3.31Å; V275-S277 PolarHBondContact O-N 3.29Å
278V94.6Very high88.3Confident119 Ų119124.7 Ų124.772%0.72160%0.595SS**THydrogen-bonded Turntrans-95-24-178.6-176.60000111.6V275 K280V275-V278 PolarHBondContact O-N 3.25Å; V278-K280 PolarHBondContact O-N 2.87Å
279L92Very high87.3Confident114 Ų114120.8 Ų120.860%0.59759%0.593SS**SBendtrans-65.2126.4177.4-78.2176.9000112V275V275-L279 HydrophobicContact CG1-CD1 3.68Å; V275-L279 HydrophobicContact CG1-CG 4.03Å; V275-L279 WeakPolarHBondContact O-CG 3.4Å; V275-L279 PolarHBondContact O-N 3.24Å
280K91.3Very high86.4Confident182 Ų182120 Ų12079%0.79160%0.601SS**PPolyproline II helixtrans-61.5144.1170.8-65.2-179.4-179.3178.60110.1V278 R282V278-K280 PolarHBondContact O-N 2.87Å; K280-R282 PolarHBondContact O-N 3.35Å
281S88Confident85.6Confident110 Ų110121 Ų12177%0.76961%0.614SS**PPolyproline II helixtrans-53.5139.6176.559.50000111.7R283S281-R283 PolarHBondContact O-N 3.44Å
282R86.9Confident84.8Confident176 Ų176122.9 Ų122.966%0.66462%0.62SS**PPolyproline II helixtrans-60.1121.3-176.2-179.5174.7170170.9-6.3109.9K280 M284K280-R282 PolarHBondContact O-N 3.35Å; R282-M284 VanDerWaalsContact C-N 3.26Å; R282-M284 HydrophobicContact CG-SD 3.89Å; R282-M284 PolarHBondContact O-N 2.88Å
283R85.5Confident84.3Confident165 Ų165126.6 Ų126.662%0.62364%0.642SS**  trans-70.775-179.7-68.4-177.3176.4-179.1-2.9112.1S281 H285 L286S281-R283 PolarHBondContact O-N 3.44Å; R283-H285 PolarHBondContact O-N 3.16Å; R283-H285 VanDerWaalsContact O-N 3.14Å; R283-L286 HydrophobicContact CB-CD1 3.92Å; R283-L286 HydrophobicContact CB-CG 4.26Å; R283-L286 PolarHBondContact O-N 3.42Å; R283-L286 VanDerWaalsContact O-N 3.14Å
284M83.4Confident83.9Confident103 Ų103126.4 Ų126.451%0.50765%0.646SS.*G310 helixtrans-58-28.1-177.6-65.2-57.9-73.100113.5R282 L286 Q287 R288R282-M284 VanDerWaalsContact C-N 3.26Å; R282-M284 HydrophobicContact CG-SD 3.89Å; R282-M284 PolarHBondContact O-N 2.88Å; M284-L286 VanDerWaalsContact C-N 3.3Å; M284-L286 PolarHBondContact O-N 2.99Å; M284-Q287 PolarHBondContact O-N 3.43Å; M284-Q287 VanDerWaalsContact O-N 3.13Å; M284-R288 PolarHBondContact O-N 3.48Å
285H77.1Confident83.7Confident123 Ų123126 Ų12657%0.56964%0.643SS**G310 helixtrans-64.3-29.7178.668-100.3000113.5R283 Q287 R288R283-H285 PolarHBondContact O-N 3.16Å; R283-H285 VanDerWaalsContact O-N 3.14Å; H285-Q287 PolarHBondContact O-N 3.32Å; H285-R288 PolarHBondContact O-N 2.92Å
286L71.6Confident83.6Confident123 Ų123127.1 Ų127.164%0.64465%0.647SS**G310 helixtrans-71-21.6175.9-67.4173.6000112.5R283 M284R283-L286 HydrophobicContact CB-CD1 3.92Å; R283-L286 HydrophobicContact CB-CG 4.26Å; R283-L286 PolarHBondContact O-N 3.42Å; R283-L286 VanDerWaalsContact O-N 3.14Å; M284-L286 VanDerWaalsContact C-N 3.3Å; M284-L286 PolarHBondContact O-N 2.99Å
287Q72.1Confident83.5Confident122 Ų122126.1 Ų126.157%0.5764%0.639SS**G310 helixtrans-93.9-8.5176.2-64.6-168.3-22.600112.9M284 H285 P289M284-Q287 PolarHBondContact O-N 3.43Å; M284-Q287 VanDerWaalsContact O-N 3.13Å; H285-Q287 PolarHBondContact O-N 3.32Å; Q287-P289 VanDerWaalsContact O-CD 3.3Å; Q287-P289 WeakPolarHBondContact O-CD 3.24Å
288R75.2Confident83.2Confident194 Ų194129 Ų12973%0.73265%0.647SS**SBendtrans-79.9112.3167.6-69.5-179.5176.9176.7-1.1107.3M284 H285 G290M284-R288 PolarHBondContact O-N 3.48Å; H285-R288 PolarHBondContact O-N 2.92Å; R288-G290 PolarHBondContact O-N 3.14Å
289P73.4Confident83Confident101 Ų101132.3 Ų132.366%0.65665%0.651SS**  trans-58.1129.8171.125.5-32.8000108.1Q287Q287-P289 VanDerWaalsContact O-CD 3.3Å; Q287-P289 WeakPolarHBondContact O-CD 3.24Å
290G74.1Confident82.9Confident51 Ų51129.2 Ų129.253%0.52664%0.635SS.*  trans-59.7177.3171.900000111.7R288 K292R288-G290 PolarHBondContact O-N 3.14Å; G290-K292 PolarHBondContact O-N 3.41Å
291P74.5Confident82.7Confident126 Ų126124.2 Ų124.282%0.81862%0.617SS**  trans-54.8110176.723.4-33.4000110.4V293P291-V293 PolarHBondContact O-N 2.93Å
292K76.2Confident82.9Confident193 Ų193125.8 Ų125.884%0.83961%0.612SS**SBendtrans-61.6-17.2-173.5-64.9-176.7179-179.80114G290G290-K292 PolarHBondContact O-N 3.41Å
293V83.9Confident83.1Confident112 Ų112118.2 Ų118.268%0.67959%0.587SS**SBendtrans-127.2122.7-178.4-177.30000109.4P291 K295P291-V293 PolarHBondContact O-N 2.93Å; V293-K295 PolarHBondContact O-N 3.37Å; V293-K295 VanDerWaalsContact O-N 3.14Å
294K87.9Confident83.4Confident206 Ų206112.7 Ų112.790%0.89657%0.569SS**  trans-71.7101.8173.7-174.2177.6-178.9179.70109.3N296K294-N296 PolarHBondContact O-N 3.34Å
295K89.6Confident83.8Confident127 Ų127110.8 Ų110.855%0.55256%0.561SS**  trans-62.5126.1174.1-65.5-175.9177.8-176.10109.6V293 P297 A303V293-K295 PolarHBondContact O-N 3.37Å; V293-K295 VanDerWaalsContact O-N 3.14Å; K295-P297 WeakPolarHBondContact O-CD 3.24Å; K295-A303 HydrophobicContact CB-CB 3.93Å
296N91.4Very high84.5Confident77 Ų77113.9 Ų113.941%0.41257%0.573SS.*  trans-73.8118.5175.3-179.2-20000109.6K294 L298 K299 N300K294-N296 PolarHBondContact O-N 3.34Å; N296-L298 VanDerWaalsContact C-N 3.31Å; N296-L298 PolarHBondContact O-N 2.86Å; N296-L298 WeakPolarHBondContact OD1-CB 3.29Å; N296-L298 PolarHBondContact OD1-N 2.59Å; N296-K299 HydrophobicContact CB-CB 4.4Å; N296-K299 PolarHBondContact O-N 3.23Å; N296-K299 VanDerWaalsContact O-N 3.15Å; N296-N300 WeakPolarHBondContact O-CB 3.38Å; N296-N300 PolarHBondContact O-N 3.26Å
297P90.5Very high85.5Confident35 Ų35114.2 Ų114.223%0.22758%0.575CS.*G310 helixtrans-64.4-32.9-177.526.5-34.5000113.1K295 K299 N300 A303 L304 L307K295-P297 WeakPolarHBondContact O-CD 3.24Å; P297-K299 PolarHBondContact O-N 3.49Å; P297-N300 CarbonylContact O-C 3.54Å; P297-N300 PolarHBondContact O-N 3.44Å; P297-A303 HydrophobicContact CB-CB 4.41Å; P297-L304 HydrophobicContact CB-CB 4.13Å; P297-L304 HydrophobicContact CB-CD1 4.16Å; P297-L307 HydrophobicContact CB-CD1 3.92Å; P297-L307 HydrophobicContact CG-CD1 3.9Å
298L88.3Confident86.4Confident151 Ų151111.2 Ų111.279%0.79156%0.562SS**G310 helixtrans-65.7-23.8177.5-56.7178.4000112.7N296N296-L298 VanDerWaalsContact C-N 3.31Å; N296-L298 PolarHBondContact O-N 2.86Å; N296-L298 WeakPolarHBondContact OD1-CB 3.29Å; N296-L298 PolarHBondContact OD1-N 2.59Å
299K89.8Confident87.2Confident188 Ų188107.2 Ų107.282%0.81756%0.562SS**G310 helixtrans-101.5-11.5176.3-63.1-168.6176.5-171.30113.7N296 P297N296-K299 HydrophobicContact CB-CB 4.4Å; N296-K299 PolarHBondContact O-N 3.23Å; N296-K299 VanDerWaalsContact O-N 3.15Å; P297-K299 PolarHBondContact O-N 3.49Å
300N90Very high88Confident49 Ų49109 Ų10926%0.26256%0.559SS.*  trans-136.3105.2-173.4-172.8-65.6000110.9N296 P297 Q302 A303 L304N296-N300 WeakPolarHBondContact O-CB 3.38Å; N296-N300 PolarHBondContact O-N 3.26Å; P297-N300 CarbonylContact O-C 3.54Å; P297-N300 PolarHBondContact O-N 3.44Å; N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 3.2Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.44Å; N300-Q302 PolarHBondContact OD1-N 3.38Å; N300-A303 HydrophobicContact CB-CB 4.1Å; N300-A303 WeakPolarHBondContact O-CB 3.26Å; N300-A303 PolarHBondContact O-N 3.46Å; N300-A303 PolarHBondContact OD1-N 2.98Å; N300-L304 PolarHBondContact O-N 3.33Å
301L88.2Confident88.8Confident76 Ų76106.9 Ų106.940%0.39854%0.537SS..Hα-helixtrans-58.1-36.2-175.9-175.462.8000113.3A303 L304 L305L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 3.43Å; L301-L304 HydrophobicContact CD1-CD2 4.4Å; L301-L304 PolarHBondContact O-N 3.28Å; L301-L305 HydrophobicContact CD1-CD1 4.29Å; L301-L305 HydrophobicContact CD1-CG 4.18Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.28Å; L301-L305 WeakPolarHBondContact O-CB 3.29Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.44Å; L301-L305 PolarHBondContact O-N 3.33Å
302Q90.8Very high89.5Confident144 Ų144104.7 Ų104.767%0.67352%0.518SS*.Hα-helixtrans-65.6-37.9176.4-64.2176.9-16.900111.8N300 K306N300-Q302 VanDerWaalsContact C-N 3.29Å; N300-Q302 PolarHBondContact O-N 3.2Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.44Å; N300-Q302 PolarHBondContact OD1-N 3.38Å; Q302-K306 WeakPolarHBondContact O-CB 3.31Å; Q302-K306 PolarHBondContact O-N 3.05Å; Q302-K306 VanDerWaalsContact O-N 3.14Å
303A91.2Very high90.1Very high16 Ų1697.1 Ų97.113%0.13250%0.495CS..Hα-helixtrans-71.1-33.8174.900000112K295 P297 N300 L301 L307K295-A303 HydrophobicContact CB-CB 3.93Å; P297-A303 HydrophobicContact CB-CB 4.41Å; N300-A303 HydrophobicContact CB-CB 4.1Å; N300-A303 WeakPolarHBondContact O-CB 3.26Å; N300-A303 PolarHBondContact O-N 3.46Å; N300-A303 PolarHBondContact OD1-N 2.98Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 3.43Å; A303-L307 WeakPolarHBondContact O-CG 3.27Å; A303-L307 PolarHBondContact O-N 3.08Å
304L92.6Very high90.3Very high49 Ų4995 Ų9526%0.25748%0.478SS..Hα-helixtrans-65.6-51173-174.861.2000111.8P297 N300 L301 K306 L307 N308 A311P297-L304 HydrophobicContact CB-CB 4.13Å; P297-L304 HydrophobicContact CB-CD1 4.16Å; N300-L304 PolarHBondContact O-N 3.33Å; L301-L304 HydrophobicContact CD1-CD2 4.4Å; L301-L304 PolarHBondContact O-N 3.28Å; L304-K306 PolarHBondContact O-N 3.24Å; L304-L307 PolarHBondContact O-N 3.37Å; L304-N308 PolarHBondContact O-N 2.74Å; L304-A311 HydrophobicContact CD1-CB 4.29Å; L304-A311 HydrophobicContact CD2-CB 3.79Å; L304-A311 HydrophobicContact CG-CB 3.68Å
305L92.4Very high90.3Very high63 Ų6390.2 Ų90.233%0.3346%0.457SS..Hα-helixtrans-61.9-31.1179.7-69170.6000112.7L301 L307 L312L301-L305 HydrophobicContact CD1-CD1 4.29Å; L301-L305 HydrophobicContact CD1-CG 4.18Å; L301-L305 HydrophobicContact CG-CD1 3.93Å; L301-L305 HydrophobicContact CG-CG 4.28Å; L301-L305 WeakPolarHBondContact O-CB 3.29Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.44Å; L301-L305 PolarHBondContact O-N 3.33Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 PolarHBondContact O-N 3.34Å; L305-L312 HydrophobicContact CD1-CD1 4.37Å; L305-L312 HydrophobicContact CD2-CB 3.77Å; L305-L312 HydrophobicContact CD2-CD1 4Å; L305-L312 HydrophobicContact CD2-CG 4.46Å
306K90.7Very high90.2Very high188 Ų18889.7 Ų89.782%0.81746%0.456SS*.Hα-helixtrans-69.5-23.7173.3-174.8169.2-177.9175.30113.5Q302 L304Q302-K306 WeakPolarHBondContact O-CB 3.31Å; Q302-K306 PolarHBondContact O-N 3.05Å; Q302-K306 VanDerWaalsContact O-N 3.14Å; L304-K306 PolarHBondContact O-N 3.24Å
307L92.5Very high90.1Very high131 Ų13193 Ų9369%0.68647%0.467SS*.Hα-helixtrans-98.6-34.5179.4-68.8174000112.9P297 A303 L304 L305P297-L307 HydrophobicContact CB-CD1 3.92Å; P297-L307 HydrophobicContact CG-CD1 3.9Å; A303-L307 WeakPolarHBondContact O-CG 3.27Å; A303-L307 PolarHBondContact O-N 3.08Å; L304-L307 PolarHBondContact O-N 3.37Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 PolarHBondContact O-N 3.34Å
308N91.6Very high90.1Very high58 Ų5897.4 Ų97.431%0.3148%0.483SS..  trans-139.3106.1-177.9-178.72.2000110.2L304 F310 A311L304-N308 PolarHBondContact O-N 2.74Å; N308-F310 VanDerWaalsContact C-N 3.28Å; N308-F310 PolarHBondContact O-N 3.3Å; N308-F310 VanDerWaalsContact OD1-CB 3.31Å; N308-F310 WeakPolarHBondContact OD1-CB 3.17Å; N308-F310 PolarHBondContact OD1-N 2.93Å; N308-A311 HydrophobicContact CB-CB 4.25Å; N308-A311 WeakPolarHBondContact O-CB 3.2Å; N308-A311 PolarHBondContact O-N 3.03Å
309P91.2Very high90.2Very high111 Ų11194.4 Ų94.472%0.72147%0.465SS*.THydrogen-bonded Turntrans-67-28177.627.8-34.1000112.7A311P309-A311 PolarHBondContact O-N 3.17Å
310F91.2Very high90.2Very high138 Ų13888.1 Ų88.161%0.60545%0.448SS*.THydrogen-bonded Turntrans-68.9-19.9178.5-177.8-105000113.1N308 L312 G313 E314N308-F310 VanDerWaalsContact C-N 3.28Å; N308-F310 PolarHBondContact O-N 3.3Å; N308-F310 VanDerWaalsContact OD1-CB 3.31Å; N308-F310 WeakPolarHBondContact OD1-CB 3.17Å; N308-F310 PolarHBondContact OD1-N 2.93Å; F310-L312 PolarHBondContact O-N 2.77Å; F310-G313 PolarHBondContact O-N 3.22Å; F310-E314 HydrophobicContact CD1-CB 4.02Å; F310-E314 HydrophobicContact CE1-CB 3.78Å; F310-E314 HydrophobicContact CE1-CG 4.08Å; F310-E314 HydrophobicContact CZ-CB 4.49Å; F310-E314 PolarHBondContact O-N 3.37Å
311A90.8Very high90.2Very high7 Ų790 Ų906%0.05846%0.458CS..Hα-helixtrans-58.6-24-178.800000113.9L304 N308 P309 K315L304-A311 HydrophobicContact CD1-CB 4.29Å; L304-A311 HydrophobicContact CD2-CB 3.79Å; L304-A311 HydrophobicContact CG-CB 3.68Å; N308-A311 HydrophobicContact CB-CB 4.25Å; N308-A311 WeakPolarHBondContact O-CB 3.2Å; N308-A311 PolarHBondContact O-N 3.03Å; P309-A311 PolarHBondContact O-N 3.17Å; A311-K315 WeakPolarHBondContact O-CB 3.37Å; A311-K315 PolarHBondContact O-N 2.87Å
312L89Confident90.4Very high79 Ų7989.2 Ų89.241%0.41446%0.462SS..Hα-helixtrans-68-52.8171-160.276.1000110.8L305 F310 E314 K315 H316L305-L312 HydrophobicContact CD1-CD1 4.37Å; L305-L312 HydrophobicContact CD2-CB 3.77Å; L305-L312 HydrophobicContact CD2-CD1 4Å; L305-L312 HydrophobicContact CD2-CG 4.46Å; F310-L312 PolarHBondContact O-N 2.77Å; L312-E314 PolarHBondContact O-N 3.46Å; L312-K315 WeakPolarHBondContact O-CB 3.36Å; L312-K315 PolarHBondContact O-N 2.84Å; L312-H316 PolarHBondContact O-CD2 2.91Å; L312-H316 PolarHBondContact O-N 3.11Å
313G88.4Confident90.3Very high34 Ų3490.3 Ų90.335%0.35146%0.46SS..Hα-helixtrans-61.2-43.5179.100000112.5F310 K315 H316 F317F310-G313 PolarHBondContact O-N 3.22Å; G313-K315 VanDerWaalsContact C-N 3.31Å; G313-K315 PolarHBondContact O-N 2.9Å; G313-H316 PolarHBondContact O-N 3.36Å; G313-H316 VanDerWaalsContact O-N 3.15Å; G313-F317 WeakPolarHBondContact O-CB 3.45Å; G313-F317 PolarHBondContact O-N 3.28Å
314E88.9Confident90.2Very high69 Ų6992.6 Ų92.632%0.32248%0.479SS..Hα-helixtrans-58.7-41.6175.3-162.2-161.7144.400112F310 L312 F317 K318F310-E314 HydrophobicContact CD1-CB 4.02Å; F310-E314 HydrophobicContact CE1-CB 3.78Å; F310-E314 HydrophobicContact CE1-CG 4.08Å; F310-E314 HydrophobicContact CZ-CB 4.49Å; F310-E314 PolarHBondContact O-N 3.37Å; L312-E314 PolarHBondContact O-N 3.46Å; E314-F317 PolarHBondContact O-N 3.19Å; E314-K318 HydrophobicContact CG-CD 4.46Å; E314-K318 WeakPolarHBondContact O-CB 3.49Å; E314-K318 WeakPolarHBondContact O-CG 3.18Å; E314-K318 PolarHBondContact O-N 3.36Å; E314-K318 WeakPolarHBondContact OE1-CE 3.44Å; E314-K318 IonicContact OE1-NZ 2.86Å; E314-K318 PolarHBondContact OE1-NZ 3.11Å
315K86.9Confident90.1Very high104 Ų10494.7 Ų94.745%0.45249%0.49SS..Hα-helixtrans-65.1-43.7174.8-175.5-176177.4-173.10111.5A311 L312 G313 K318 M319A311-K315 WeakPolarHBondContact O-CB 3.37Å; A311-K315 PolarHBondContact O-N 2.87Å; L312-K315 WeakPolarHBondContact O-CB 3.36Å; L312-K315 PolarHBondContact O-N 2.84Å; G313-K315 VanDerWaalsContact C-N 3.31Å; G313-K315 PolarHBondContact O-N 2.9Å; K315-K318 PolarHBondContact O-N 2.92Å; K315-M319 HydrophobicContact CG-SD 4.3Å; K315-M319 WeakPolarHBondContact O-CB 3.42Å; K315-M319 VanDerWaalsContact O-CG 3.3Å; K315-M319 WeakPolarHBondContact O-CG 3.47Å; K315-M319 PolarHBondContact O-N 2.96Å
316H88.8Confident89.8Confident117 Ų11798.4 Ų98.454%0.54250%0.503SS..Hα-helixtrans-62.1-43.8175.8-74.6-68.5000111.9L312 G313 M319 A320L312-H316 PolarHBondContact O-CD2 2.91Å; L312-H316 PolarHBondContact O-N 3.11Å; G313-H316 PolarHBondContact O-N 3.36Å; G313-H316 VanDerWaalsContact O-N 3.15Å; H316-M319 PolarHBondContact O-N 3.19Å; H316-A320 WeakPolarHBondContact O-CB 3.49Å; H316-A320 PolarHBondContact O-N 3.19Å
317F89.3Confident89.6Confident147 Ų14793.9 Ų93.965%0.64549%0.488SS*.Hα-helixtrans-61.6-47.9176.8-171.2-95.1000111.8G313 E314 M319 A320 L321G313-F317 WeakPolarHBondContact O-CB 3.45Å; G313-F317 PolarHBondContact O-N 3.28Å; E314-F317 PolarHBondContact O-N 3.19Å; F317-M319 VanDerWaalsContact C-N 3.32Å; F317-M319 PolarHBondContact O-N 2.98Å; F317-A320 PolarHBondContact O-N 3.34Å; F317-L321 HydrophobicContact CE1-CD1 4.17Å; F317-L321 WeakPolarHBondContact O-CB 3.28Å; F317-L321 PolarHBondContact O-N 3.39Å
318K89.3Confident89.2Confident127 Ų12789.2 Ų89.255%0.55247%0.471SS*.Hα-helixtrans-59.1-39.7174.4-76.8173.1170.9172.90112.5E314 K315 A322E314-K318 HydrophobicContact CG-CD 4.46Å; E314-K318 WeakPolarHBondContact O-CB 3.49Å; E314-K318 WeakPolarHBondContact O-CG 3.18Å; E314-K318 PolarHBondContact O-N 3.36Å; E314-K318 WeakPolarHBondContact OE1-CE 3.44Å; E314-K318 IonicContact OE1-NZ 2.86Å; E314-K318 PolarHBondContact OE1-NZ 3.11Å; K315-K318 PolarHBondContact O-N 2.92Å; K318-A322 WeakPolarHBondContact O-CB 3.31Å; K318-A322 PolarHBondContact O-N 2.93Å
319M89.7Confident88.8Confident87 Ų8793.4 Ų93.443%0.42949%0.487SS..Hα-helixtrans-68.1-38.7175.4-74.1-179.569.100112.9K315 H316 F317 R323K315-M319 HydrophobicContact CG-SD 4.3Å; K315-M319 WeakPolarHBondContact O-CB 3.42Å; K315-M319 VanDerWaalsContact O-CG 3.3Å; K315-M319 WeakPolarHBondContact O-CG 3.47Å; K315-M319 PolarHBondContact O-N 2.96Å; H316-M319 PolarHBondContact O-N 3.19Å; F317-M319 VanDerWaalsContact C-N 3.32Å; F317-M319 PolarHBondContact O-N 2.98Å; M319-R323 VanDerWaalsContact O-CG 3.31Å; M319-R323 WeakPolarHBondContact O-CG 3.31Å; M319-R323 PolarHBondContact O-N 3.09Å
320A91Very high88.3Confident56 Ų5692.7 Ų92.746%0.46348%0.477SS..Hα-helixtrans-64.6-46175.500000111.4H316 F317 A322 R323 A324H316-A320 WeakPolarHBondContact O-CB 3.49Å; H316-A320 PolarHBondContact O-N 3.19Å; F317-A320 PolarHBondContact O-N 3.34Å; A320-A322 PolarHBondContact O-N 3.41Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.13Å; A320-A324 PolarHBondContact O-N 3.15Å
321L90.7Very high87.7Confident90 Ų9094 Ų9447%0.47148%0.482SS..Hα-helixtrans-62.4-42.2177.3-169.1149.8000111.8F317 R323 A324 I325F317-L321 HydrophobicContact CE1-CD1 4.17Å; F317-L321 WeakPolarHBondContact O-CB 3.28Å; F317-L321 PolarHBondContact O-N 3.39Å; L321-R323 PolarHBondContact O-N 3.34Å; L321-A324 PolarHBondContact O-N 3.43Å; L321-I325 HydrophobicContact CD2-CD1 3.63Å; L321-I325 HydrophobicContact CD2-CG1 4.44Å; L321-I325 WeakPolarHBondContact O-CG1 3.28Å; L321-I325 PolarHBondContact O-N 3.29Å
322A90.4Very high86.9Confident58 Ų58103 Ų10348%0.47951%0.514SS..Hα-helixtrans-63.8-38.5174.200000113.1K318 A320 I325 K326K318-A322 WeakPolarHBondContact O-CB 3.31Å; K318-A322 PolarHBondContact O-N 2.93Å; A320-A322 PolarHBondContact O-N 3.41Å; A322-I325 PolarHBondContact O-N 3.1Å; A322-K326 PolarHBondContact O-N 3.24Å
323R89.9Confident86.2Confident168 Ų168106.7 Ų106.763%0.63453%0.527SS*.Hα-helixtrans-63.8-43.3172.9-75171.8178.2-178.8-1.9111.4M319 A320 L321 I325 K326 N327M319-R323 VanDerWaalsContact O-CG 3.31Å; M319-R323 WeakPolarHBondContact O-CG 3.31Å; M319-R323 PolarHBondContact O-N 3.09Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.13Å; L321-R323 PolarHBondContact O-N 3.34Å; R323-I325 PolarHBondContact O-N 2.96Å; R323-K326 PolarHBondContact O-N 2.89Å; R323-N327 WeakPolarHBondContact O-CB 3.44Å; R323-N327 VanDerWaalsContact O-CG 3.26Å; R323-N327 PolarHBondContact O-N 3.2Å; R323-N327 PolarHBondContact O-OD1 3.32Å
324A89.2Confident85.5Confident63 Ų63107.2 Ų107.252%0.52153%0.528SS..Hα-helixtrans-59.3-46.3176.100000111.8A320 L321 K326 N327 G328A320-A324 PolarHBondContact O-N 3.15Å; L321-A324 PolarHBondContact O-N 3.43Å; A324-K326 PolarHBondContact O-N 2.82Å; A324-N327 PolarHBondContact O-N 2.8Å; A324-G328 PolarHBondContact O-N 2.79Å
325I89.4Confident84.6Confident94 Ų94106.9 Ų106.948%0.48254%0.537SS..Hα-helixtrans-61.8-43.9175.6-66.4171.5000111.6L321 A322 R323 G328 K329L321-I325 HydrophobicContact CD2-CD1 3.63Å; L321-I325 HydrophobicContact CD2-CG1 4.44Å; L321-I325 WeakPolarHBondContact O-CG1 3.28Å; L321-I325 PolarHBondContact O-N 3.29Å; A322-I325 PolarHBondContact O-N 3.1Å; R323-I325 PolarHBondContact O-N 2.96Å; I325-G328 PolarHBondContact O-N 3.15Å; I325-K329 PolarHBondContact O-N 2.76Å
326K88Confident83.3Confident141 Ų141108.5 Ų108.561%0.61355%0.551SS**Hα-helixtrans-62.8-44.3177.9-171.6179.6179.5-176.70111.5A322 R323 A324 G328 K329 L330A322-K326 PolarHBondContact O-N 3.24Å; R323-K326 PolarHBondContact O-N 2.89Å; A324-K326 PolarHBondContact O-N 2.82Å; K326-G328 VanDerWaalsContact C-N 3.34Å; K326-G328 PolarHBondContact O-N 2.97Å; K326-K329 PolarHBondContact O-N 2.92Å; K326-L330 HydrophobicContact CG-CD1 4.24Å; K326-L330 WeakPolarHBondContact O-CG 3.37Å; K326-L330 PolarHBondContact O-N 3.27Å
327N86.4Confident81.9Confident93 Ų93108.6 Ų108.650%0.49755%0.55SS..Hα-helixtrans-65.5-37.2177.2-69.5-0.6000111.6R323 A324 L330 K331R323-N327 WeakPolarHBondContact O-CB 3.44Å; R323-N327 VanDerWaalsContact O-CG 3.26Å; R323-N327 PolarHBondContact O-N 3.2Å; R323-N327 PolarHBondContact O-OD1 3.32Å; A324-N327 PolarHBondContact O-N 2.8Å; N327-L330 PolarHBondContact O-N 2.92Å; N327-K331 WeakPolarHBondContact O-CB 3.32Å; N327-K331 WeakPolarHBondContact O-CG 3.32Å; N327-K331 PolarHBondContact O-N 3.39Å
328G83.8Confident80.3Confident33 Ų33106.9 Ų106.934%0.3455%0.551SS.*Hα-helixtrans-61.9-43171.700000113A324 I325 K326 K331 R332A324-G328 PolarHBondContact O-N 2.79Å; I325-G328 PolarHBondContact O-N 3.15Å; K326-G328 VanDerWaalsContact C-N 3.34Å; K326-G328 PolarHBondContact O-N 2.97Å; G328-K331 PolarHBondContact O-N 3.07Å; G328-R332 WeakPolarHBondContact O-CG 3.37Å; G328-R332 PolarHBondContact O-N 3.41Å
329K82.9Confident78.8Confident146 Ų146108.1 Ų108.164%0.63556%0.564SS**Hα-helixtrans-65.6-38.2173.8-71.9-173.8178.6-172.50112.6I325 K326 K333I325-K329 PolarHBondContact O-N 2.76Å; K326-K329 PolarHBondContact O-N 2.92Å; K329-K333 PolarHBondContact O-N 3.02Å
330L79.6Confident76.9Confident96 Ų96110.2 Ų110.250%0.50357%0.572SS.*Hα-helixtrans-67.3-43.7175.4-73.4168.3000111.8K326 N327 R332 K333 A334K326-L330 HydrophobicContact CG-CD1 4.24Å; K326-L330 WeakPolarHBondContact O-CG 3.37Å; K326-L330 PolarHBondContact O-N 3.27Å; N327-L330 PolarHBondContact O-N 2.92Å; L330-R332 PolarHBondContact O-N 2.79Å; L330-K333 CarbonylContact O-C 3.51Å; L330-K333 PolarHBondContact O-N 3.42Å; L330-A334 WeakPolarHBondContact O-CB 3.24Å; L330-A334 PolarHBondContact O-N 3Å
331K78.8Confident74.3Confident166 Ų166112.2 Ų112.272%0.72259%0.589SS**Hα-helixtrans-60.3-42.9173.5-77.4-169.4174.1-166.50112.2N327 G328 K333 A334 A335N327-K331 WeakPolarHBondContact O-CB 3.32Å; N327-K331 WeakPolarHBondContact O-CG 3.32Å; N327-K331 PolarHBondContact O-N 3.39Å; G328-K331 PolarHBondContact O-N 3.07Å; K331-K333 PolarHBondContact O-N 3.27Å; K331-A334 PolarHBondContact O-N 2.8Å; K331-A335 WeakPolarHBondContact O-CB 3.21Å; K331-A335 PolarHBondContact O-N 3.47Å
332R74.4Confident71.6Confident194 Ų194114 Ų11473%0.73261%0.606SS**Hα-helixtrans-61.8-40.3173.3-73.1179.2-178.8178.40112.4G328 L330 N336G328-R332 WeakPolarHBondContact O-CG 3.37Å; G328-R332 PolarHBondContact O-N 3.41Å; L330-R332 PolarHBondContact O-N 2.79Å; R332-N336 PolarHBondContact O-N 3.41Å; R332-N336 PolarHBondContact O-OD1 3.3Å
333K74Confident69.3Low158 Ų158117.2 Ų117.269%0.68762%0.622SS**Hα-helixtrans-69.4-30.6174.7-78.1-166.7171.9-160.70114K329 L330 K331K329-K333 PolarHBondContact O-N 3.02Å; L330-K333 CarbonylContact O-C 3.51Å; L330-K333 PolarHBondContact O-N 3.42Å; K331-K333 PolarHBondContact O-N 3.27Å
334A73.7Confident66.7Low44 Ų44119.5 Ų119.536%0.36464%0.636SS.*Hα-helixtrans-81.8-33.9178.200000112.2L330 K331 N336 K337 V338L330-A334 WeakPolarHBondContact O-CB 3.24Å; L330-A334 PolarHBondContact O-N 3Å; K331-A334 PolarHBondContact O-N 2.8Å; A334-N336 VanDerWaalsContact C-N 3.33Å; A334-K337 CarbonylContact O-C 3.56Å; A334-K337 WeakPolarHBondContact O-CA 3.39Å; A334-K337 PolarHBondContact O-N 3.24Å; A334-V338 WeakPolarHBondContact O-CB 3.43Å; A334-V338 VanDerWaalsContact O-CG2 3.31Å; A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 2.69Å
335A70Confident64.9Low63 Ų63125.9 Ų125.952%0.52166%0.656SS.*Hα-helixtrans-58.4-47.3170.500000110.3K331 K337K331-A335 WeakPolarHBondContact O-CB 3.21Å; K331-A335 PolarHBondContact O-N 3.47Å; A335-K337 PolarHBondContact O-N 2.69Å
336N60.3Low63.4Low138 Ų138126.2 Ų126.274%0.73867%0.672SS**THydrogen-bonded Turntrans-68.419.2172.6-61.225.3000114.6R332 A334R332-N336 PolarHBondContact O-N 3.41Å; R332-N336 PolarHBondContact O-OD1 3.3Å; A334-N336 VanDerWaalsContact C-N 3.33Å
337K59.1Low62Low119 Ų119130 Ų13052%0.51769%0.689SS.*THydrogen-bonded Turntrans-148.1-27.7-174.2-120.3-171.6167.4-84.10114.4A334 A335 D339 E340A334-K337 CarbonylContact O-C 3.56Å; A334-K337 WeakPolarHBondContact O-CA 3.39Å; A334-K337 PolarHBondContact O-N 3.24Å; A335-K337 PolarHBondContact O-N 2.69Å; K337-D339 PolarHBondContact O-N 3.3Å; K337-E340 IonicContact NZ-OE1 2.71Å; K337-E340 PolarHBondContact NZ-OE1 2.99Å; K337-E340 IonicContact NZ-OE2 3.79Å; K337-E340 WeakPolarHBondContact O-CB 3.19Å; K337-E340 WeakPolarHBondContact O-CG 3.33Å
338V56.5Low60.5Low110 Ų110131.5 Ų131.567%0.66771%0.705SS**  trans-78.84-177.6169.10000112.9A334 E340A334-V338 WeakPolarHBondContact O-CB 3.43Å; A334-V338 VanDerWaalsContact O-CG2 3.31Å; A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 2.69Å; V338-E340 PolarHBondContact O-N 2.83Å
339D56.4Low59.3Low154 Ų154136.6 Ų136.682%0.82473%0.729SS**SBendtrans-64.245.2152.3-46.4-48.8000109.9K337K337-D339 PolarHBondContact O-N 3.3Å
340E50.7Low57.9Low130 Ų130139.1 Ų139.161%0.60774%0.74SS**SBendtrans-133.1-127.6-164.7-90.6175.7-167.900118.6K337 V338K337-E340 IonicContact NZ-OE1 2.71Å; K337-E340 PolarHBondContact NZ-OE1 2.99Å; K337-E340 IonicContact NZ-OE2 3.79Å; K337-E340 WeakPolarHBondContact O-CB 3.19Å; K337-E340 WeakPolarHBondContact O-CG 3.33Å; V338-E340 PolarHBondContact O-N 2.83Å
341A36.5Very low56.9Low99 Ų99141.4 Ų141.482%0.81876%0.758SS**  trans-148.6174.7-149.800000122.7
342P34.8Very low55.4Low128 Ų128146.5 Ų146.583%0.83178%0.78SS**  trans-131.5-179.2-161.740.6-22.2000123.3
343P41.7Very low54.5Low124 Ų124144.2 Ų144.281%0.80578%0.783SS**  trans-142176.9-16644.3-25.8000122.9
344K35.6Very low53.4Low216 Ų216143.4 Ų143.494%0.93979%0.788SS**  trans-160.6-174.6162.6-112.4-179-175.4-175.50119.6
345E50.3Low52.3Low198 Ų198148.9 Ų148.993%0.92581%0.811SS**  trans-99.3-176-142.8-82-177.4169.300127.9
346A58.7Low51.3Low101 Ų101154 Ų15484%0.83583%0.828SS**  trans-151.9179.8-168.700000120.9
347K57.1Low50.7Low219 Ų219155 Ų15595%0.95283%0.834SS**  trans-157.1171.5172-101.7-178-170.4177.10118.4
348C56.3Low50.1Low125 Ų125157.4 Ų157.485%0.84586%0.855SS**  trans-149169.8-163-169.40000117.6
349V57.8Low49.7Very low140 Ų140160.8 Ų160.885%0.84887%0.868SS**  trans-133.9148.2176.6175.10000113.7
350K54.5Low49.2Very low200 Ų200161.3 Ų161.387%0.8787%0.872SS**  trans-133.9156.6178.2-90.6-172.6175.6-175.60112.4
351V58.7Low49.1Very low143 Ų143163.9 Ų163.987%0.86789%0.894SS**  trans169.5134.4135.8166.40000105.5
352K46.7Very low50.2Low274 Ų274169.8 Ų169.8100%1.19190%0.901SS**  cis-129.5018.6-151.1171.4-167.8176.60110.8

Retrieved 352 of 352 residues in 125 ms (Link to these results)

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