A0A077YZH9_TRITR Loading...

Xaa Pro aminopeptidase 1

AlphaFold DB , UniProt , Accession A0A077YZH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 625 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
1M58Low75.3Confident96 Ų9654.9 Ų54.947%0.47335%0.351SS..  0133.80-160.5-172.8-64.700108E5 M6 L9 F52M1-E5 HydrophobicContact CG-CB 4.05Å; M1-E5 HydrophobicContact CG-CG 4.13Å; M1-E5 WeakPolarHBondContact CG-OE2 3.44Å; M1-E5 HydrophobicContact SD-CG 4.4Å; M1-M6 HydrophobicContact SD-CB 3.67Å; M1-M6 HydrophobicContact SD-CG 4.33Å; M1-L9 HydrophobicContact CE-CD1 4.1Å; M1-L9 HydrophobicContact SD-CD1 3.95Å; M1-F52 WeakPolarHBondContact CE-O 2.87Å
2A61.9Low76.7Confident62 Ų6259 Ų5951%0.51236%0.359SS..  trans-71.6142.6175.500000109.6S4 E5 M6A2-S4 PolarHBondContact O-N 2.72Å; A2-E5 WeakPolarHBondContact O-CB 3.21Å; A2-E5 PolarHBondContact O-N 2.75Å; A2-M6 PolarHBondContact O-N 3.35Å
3G61.7Low77.9Confident20 Ų2054.5 Ų54.521%0.20633%0.331CS..Hα-helixtrans-53.5-33.6-174.100000114.4E5 M6 C7 H95G3-E5 PolarHBondContact O-N 3.25Å; G3-M6 PolarHBondContact O-N 3.19Å; G3-C7 PolarHBondContact O-N 3.35Å; G3-C7 VanDerWaalsContact O-N 3.12Å; G3-C7 PolarHBondContact O-SG 3.44Å; G3-H95 WeakPolarHBondContact CA-NE2 3.31Å
4S67.2Low78.9Confident91 Ų9153.4 Ų53.464%0.63632%0.318SS*.Hα-helixtrans-65-35.7177.757.40000114A2 T8A2-S4 PolarHBondContact O-N 2.72Å; S4-T8 PolarHBondContact O-N 3.01Å; S4-T8 PolarHBondContact O-OG1 3.36Å
5E77.1Confident79.9Confident113 Ų11354 Ų5453%0.52833%0.332SS..Hα-helixtrans-71.5-42.1-179.6-173.1176.9-160.800110.5M1 A2 G3 T8 L9M1-E5 HydrophobicContact CG-CB 4.05Å; M1-E5 HydrophobicContact CG-CG 4.13Å; M1-E5 WeakPolarHBondContact CG-OE2 3.44Å; M1-E5 HydrophobicContact SD-CG 4.4Å; A2-E5 WeakPolarHBondContact O-CB 3.21Å; A2-E5 PolarHBondContact O-N 2.75Å; G3-E5 PolarHBondContact O-N 3.25Å; E5-T8 WeakPolarHBondContact O-CB 3.32Å; E5-T8 PolarHBondContact O-N 2.78Å; E5-L9 PolarHBondContact O-N 2.93Å
6M74.4Confident80.8Confident2 Ų251.8 Ų51.81%0.0132%0.318CS..Hα-helixtrans-63.7-48.1177-177.5-156.979.500112.6M1 A2 G3 T8 L9 L10 H95 D97 W98M1-M6 HydrophobicContact SD-CB 3.67Å; M1-M6 HydrophobicContact SD-CG 4.33Å; A2-M6 PolarHBondContact O-N 3.35Å; G3-M6 PolarHBondContact O-N 3.19Å; M6-T8 PolarHBondContact O-N 2.83Å; M6-L9 PolarHBondContact O-N 3Å; M6-L10 PolarHBondContact O-N 2.92Å; M6-H95 HydrophobicContact CE-CB 4.42Å; M6-H95 HydrophobicContact SD-CB 3.49Å; M6-H95 WeakPolarHBondContact SD-CB 3.22Å; M6-D97 HydrophobicContact CE-CB 3.77Å; M6-D97 WeakPolarHBondContact CE-OD2 2.98Å; M6-W98 PolarHBondContact SD-NE1 3.44Å
7C76.1Confident81.7Confident65 Ų6548.8 Ų48.844%0.43930%0.3SS..Hα-helixtrans-58.7-34.2176.4-650000111.4G3 A11G3-C7 PolarHBondContact O-N 3.35Å; G3-C7 VanDerWaalsContact O-N 3.12Å; G3-C7 PolarHBondContact O-SG 3.44Å; C7-A11 WeakPolarHBondContact O-CB 3.47Å; C7-A11 PolarHBondContact O-N 3.34Å
8T86.5Confident82.5Confident72 Ų7249.9 Ų49.944%0.44230%0.301SS..Hα-helixtrans-67.7-40.2175.8-56.30000111.8S4 E5 M6 K12S4-T8 PolarHBondContact O-N 3.01Å; S4-T8 PolarHBondContact O-OG1 3.36Å; E5-T8 WeakPolarHBondContact O-CB 3.32Å; E5-T8 PolarHBondContact O-N 2.78Å; M6-T8 PolarHBondContact O-N 2.83Å; T8-K12 HydrophobicContact CG2-CD 4.49Å; T8-K12 VanDerWaalsContact O-CG 3.31Å; T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 2.75Å; T8-K12 VanDerWaalsContact O-N 3.15Å
9L89.2Confident83.1Confident14 Ų1450.3 Ų50.37%0.07330%0.301CS..Hα-helixtrans-66.4-46.2177.4-70.3175.9000112.2M1 E5 M6 K12 L13 F52 L53 I162M1-L9 HydrophobicContact CE-CD1 4.1Å; M1-L9 HydrophobicContact SD-CD1 3.95Å; E5-L9 PolarHBondContact O-N 2.93Å; M6-L9 PolarHBondContact O-N 3Å; L9-K12 PolarHBondContact O-N 2.77Å; L9-L13 PolarHBondContact O-N 2.92Å; L9-F52 HydrophobicContact CD1-CE1 4.39Å; L9-F52 HydrophobicContact CD1-CE2 4.49Å; L9-F52 HydrophobicContact CD1-CZ 4.22Å; L9-F52 HydrophobicContact CD2-CE1 3.84Å; L9-F52 HydrophobicContact CD2-CE2 4.33Å; L9-F52 HydrophobicContact CD2-CZ 3.49Å; L9-F52 VanDerWaalsContact CD2-CZ 3.49Å; L9-L53 HydrophobicContact CB-CD2 4.4Å; L9-I162 WeakPolarHBondContact O-CD1 3.47Å
10L86.8Confident83.6Confident11 Ų1152.1 Ų52.16%0.05832%0.322CS..Hα-helixtrans-63-43.2177.7-69.1176.5000111.6M6 K12 L13 R14 F63 A78 W98M6-L10 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-L13 VanDerWaalsContact O-N 3.14Å; L10-R14 WeakPolarHBondContact O-CD 3.3Å; L10-R14 VanDerWaalsContact O-CG 3.27Å; L10-R14 WeakPolarHBondContact O-CG 3.49Å; L10-R14 PolarHBondContact O-N 2.96Å; L10-F63 HydrophobicContact CD2-CE1 4.2Å; L10-F63 HydrophobicContact CD2-CZ 3.67Å; L10-A78 HydrophobicContact CD1-CB 4Å; L10-W98 HydrophobicContact CD1-CZ2 4.47Å; L10-W98 HydrophobicContact CD2-CZ2 4.12Å
11A89.3Confident84.1Confident58 Ų5858.3 Ų58.348%0.47935%0.347SS..Hα-helixtrans-58.7-40.3175.400000112.6C7 A15C7-A11 WeakPolarHBondContact O-CB 3.47Å; C7-A11 PolarHBondContact O-N 3.34Å; A11-A15 PolarHBondContact O-N 2.86Å; A11-A15 VanDerWaalsContact O-N 3.08Å
12K92.6Very high85.7Confident104 Ų10456.1 Ų56.145%0.45234%0.337SS..Hα-helixtrans-66.4-42.1174.8-72.6173.9179-179.90112T8 L9 L10 A15 V16 I162T8-K12 HydrophobicContact CG2-CD 4.49Å; T8-K12 VanDerWaalsContact O-CG 3.31Å; T8-K12 WeakPolarHBondContact O-CG 3.48Å; T8-K12 PolarHBondContact O-N 2.75Å; T8-K12 VanDerWaalsContact O-N 3.15Å; L9-K12 PolarHBondContact O-N 2.77Å; L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.22Å; K12-A15 WeakPolarHBondContact O-CB 3.5Å; K12-A15 PolarHBondContact O-N 2.89Å; K12-V16 PolarHBondContact O-N 3.45Å; K12-V16 VanDerWaalsContact O-N 3.16Å; K12-I162 HydrophobicContact CB-CB 4.09Å; K12-I162 HydrophobicContact CB-CD1 4.34Å; K12-I162 HydrophobicContact CB-CG2 3.75Å
13L92.6Very high87.3Confident0 Ų053.3 Ų53.30%031%0.313CS..Hα-helixtrans-60.8-46.5177.9-175.461.8000111L9 L10 A15 V16 M17 Y30 L53 F63 D65 L158 I162L9-L13 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-L13 VanDerWaalsContact O-N 3.14Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 3.07Å; L13-V16 HydrophobicContact CD1-CG2 4.18Å; L13-V16 WeakPolarHBondContact O-CG2 3.42Å; L13-V16 PolarHBondContact O-N 3.21Å; L13-V16 VanDerWaalsContact O-N 3.16Å; L13-M17 HydrophobicContact CG-SD 4.37Å; L13-M17 WeakPolarHBondContact O-CG 3.24Å; L13-M17 PolarHBondContact O-N 2.7Å; L13-Y30 HydrophobicContact CD1-CD1 4.3Å; L13-L53 HydrophobicContact CD2-CD1 4.03Å; L13-F63 HydrophobicContact CD2-CE1 3.98Å; L13-D65 HydrophobicContact CD2-CB 4.41Å; L13-L158 HydrophobicContact CD1-CB 3.8Å; L13-I162 HydrophobicContact CB-CD1 3.94Å; L13-I162 HydrophobicContact CD1-CD1 4.43Å
14R91.2Very high88.7Confident39 Ų3957 Ų5715%0.14733%0.333CS..Hα-helixtrans-63-35.3177.2-66.8164.5-176.1-171.6-16.4112.6L10 M17 Q18 D65 T67 D76L10-R14 WeakPolarHBondContact O-CD 3.3Å; L10-R14 VanDerWaalsContact O-CG 3.27Å; L10-R14 WeakPolarHBondContact O-CG 3.49Å; L10-R14 PolarHBondContact O-N 2.96Å; R14-M17 WeakPolarHBondContact O-CB 3.47Å; R14-M17 PolarHBondContact O-N 3.47Å; R14-Q18 WeakPolarHBondContact O-CG 3.33Å; R14-D65 VanDerWaalsContact CG-OD2 3.25Å; R14-D65 WeakPolarHBondContact CG-OD2 3.4Å; R14-D65 IonicContact CZ-OD1 2.73Å; R14-D65 IonicContact CZ-OD2 2.99Å; R14-D65 VanDerWaalsContact NE-CG 3.31Å; R14-D65 IonicContact NE-OD1 3.39Å; R14-D65 PolarHBondContact NE-OD1 3.17Å; R14-D65 IonicContact NE-OD2 2.77Å; R14-D65 PolarHBondContact NE-OD2 3.36Å; R14-D65 IonicContact NH2-OD1 3.62Å; R14-D65 PolarHBondContact NH2-OD1 3.25Å; R14-T67 WeakPolarHBondContact CD-OG1 3.5Å; R14-T67 WeakPolarHBondContact CG-OG1 3.42Å; R14-T67 PolarHBondContact NE-OG1 3.46Å; R14-D76 IonicContact CZ-OD1 2.61Å; R14-D76 IonicContact NH1-OD1 3.61Å; R14-D76 PolarHBondContact NH1-OD1 2.91Å; R14-D76 IonicContact NH2-OD1 2.64Å
15A93.8Very high90Very high63 Ų6355.5 Ų55.552%0.52132%0.316SS..Hα-helixtrans-64-42.3174.700000112A11 K12 L13 Q18 N19A11-A15 PolarHBondContact O-N 2.86Å; A11-A15 VanDerWaalsContact O-N 3.08Å; K12-A15 WeakPolarHBondContact O-CB 3.5Å; K12-A15 PolarHBondContact O-N 2.89Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 3.07Å; A15-Q18 PolarHBondContact O-N 3.47Å; A15-N19 PolarHBondContact O-N 3.19Å
16V95.2Very high90.9Very high18 Ų1856.6 Ų56.611%0.10932%0.319CS..Hα-helixtrans-71.8-29.5178.1-620000112.8K12 L13 Q18 N19 I22 L158 C161 I162K12-V16 PolarHBondContact O-N 3.45Å; K12-V16 VanDerWaalsContact O-N 3.16Å; L13-V16 HydrophobicContact CD1-CG2 4.18Å; L13-V16 WeakPolarHBondContact O-CG2 3.42Å; L13-V16 PolarHBondContact O-N 3.21Å; L13-V16 VanDerWaalsContact O-N 3.16Å; V16-Q18 PolarHBondContact O-N 3.35Å; V16-N19 PolarHBondContact O-N 2.91Å; V16-N19 VanDerWaalsContact O-N 3.14Å; V16-I22 HydrophobicContact CB-CD1 4.1Å; V16-I22 HydrophobicContact CG1-CD1 3.94Å; V16-L158 HydrophobicContact CG2-CB 3.89Å; V16-L158 HydrophobicContact CG2-CD1 4.44Å; V16-L158 HydrophobicContact CG2-CD2 4.45Å; V16-L158 HydrophobicContact CG2-CG 4.49Å; V16-C161 HydrophobicContact CG1-CB 4.29Å; V16-I162 HydrophobicContact CG1-CG2 3.94Å; V16-I162 HydrophobicContact CG2-CG2 4.12Å
17M95.1Very high91.9Very high2 Ų256.5 Ų56.51%0.0132%0.319CS..Hα-helixtrans-60.7-21.1171.7-73167.559.200113.8L13 R14 L27 L158L13-M17 HydrophobicContact CG-SD 4.37Å; L13-M17 WeakPolarHBondContact O-CG 3.24Å; L13-M17 PolarHBondContact O-N 2.7Å; R14-M17 WeakPolarHBondContact O-CB 3.47Å; R14-M17 PolarHBondContact O-N 3.47Å; M17-L27 HydrophobicContact CB-CB 4.16Å; M17-L27 HydrophobicContact CB-CD1 4.48Å; M17-L27 HydrophobicContact CE-CB 4.15Å; M17-L27 HydrophobicContact CG-CB 4.42Å; M17-L27 HydrophobicContact CG-CD1 4.26Å; M17-L27 PolarHBondContact O-N 3.26Å; M17-L158 HydrophobicContact CG-CD1 3.76Å
18Q95.5Very high92.8Very high69 Ų6954.4 Ų54.432%0.32230%0.303SS..THydrogen-bonded Turntrans-102.4-2.7-179.8-62.3-62.8-45.200113R14 A15 V16 A20 L27R14-Q18 WeakPolarHBondContact O-CG 3.33Å; A15-Q18 PolarHBondContact O-N 3.47Å; V16-Q18 PolarHBondContact O-N 3.35Å; Q18-A20 PolarHBondContact O-N 3.33Å; Q18-L27 PolarHBondContact NE2-O 3.02Å
19N94.8Very high93.1Very high57 Ų5751 Ų5131%0.30528%0.282SS..  trans-88.4108.5-174.4-173.7-13.2000111.8A15 V16 E21 I22 V23A15-N19 PolarHBondContact O-N 3.19Å; V16-N19 PolarHBondContact O-N 2.91Å; V16-N19 VanDerWaalsContact O-N 3.14Å; N19-E21 PolarHBondContact O-N 3.24Å; N19-E21 VanDerWaalsContact O-N 3.09Å; N19-E21 WeakPolarHBondContact OD1-CB 3.42Å; N19-E21 PolarHBondContact OD1-N 3.09Å; N19-I22 HydrophobicContact CB-CB 4.37Å; N19-I22 HydrophobicContact CB-CD1 4.1Å; N19-I22 HydrophobicContact CB-CG1 4.22Å; N19-I22 WeakPolarHBondContact ND2-CD1 3.4Å; N19-I22 PolarHBondContact O-N 3.31Å; N19-V23 WeakPolarHBondContact O-CG2 3.24Å; N19-V23 PolarHBondContact O-N 3.4Å
20A92.5Very high93.4Very high86 Ų8650.4 Ų50.471%0.71128%0.279SS*.THydrogen-bonded Turntrans-63.7-12.1-179.600000115.1Q18Q18-A20 PolarHBondContact O-N 3.33Å
21E93.8Very high93.7Very high182 Ų18250 Ų5085%0.8528%0.277SS*.THydrogen-bonded Turntrans-82.7-21.3172-61.4-175.7161.300112.7N19N19-E21 PolarHBondContact O-N 3.24Å; N19-E21 VanDerWaalsContact O-N 3.09Å; N19-E21 WeakPolarHBondContact OD1-CB 3.42Å; N19-E21 PolarHBondContact OD1-N 3.09Å
22I92.7Very high93.9Very high50 Ų5047.3 Ų47.326%0.25626%0.255SS..THydrogen-bonded Turntrans-105.5-42.1-174.6-57.3177.1000110.8V16 N19 A156 L158V16-I22 HydrophobicContact CB-CD1 4.1Å; V16-I22 HydrophobicContact CG1-CD1 3.94Å; N19-I22 HydrophobicContact CB-CB 4.37Å; N19-I22 HydrophobicContact CB-CD1 4.1Å; N19-I22 HydrophobicContact CB-CG1 4.22Å; N19-I22 WeakPolarHBondContact ND2-CD1 3.4Å; N19-I22 PolarHBondContact O-N 3.31Å; I22-A156 HydrophobicContact CG2-CB 4.39Å; I22-L158 HydrophobicContact CG2-CD2 3.48Å; I22-L158 VanDerWaalsContact CG2-CD2 3.48Å
23V94.9Very high93.9Very high4 Ų443.1 Ų43.12%0.02424%0.238CC..SBendtrans-106.1143.5-179.1-64.40000111.2N19 E25 L27 V154 L158N19-V23 WeakPolarHBondContact O-CG2 3.24Å; N19-V23 PolarHBondContact O-N 3.4Å; V23-E25 WeakPolarHBondContact CB-O 3.19Å; V23-E25 WeakPolarHBondContact CG2-O 3.28Å; V23-E25 PolarHBondContact O-N 3.05Å; V23-L27 HydrophobicContact CB-CG 4.45Å; V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.21Å; V23-V154 HydrophobicContact CG1-CG1 4.07Å; V23-L158 HydrophobicContact CG1-CD1 3.98Å; V23-L158 HydrophobicContact CG1-CD2 3.82Å
24P92.2Very high93.6Very high96 Ų9643.7 Ų43.762%0.62324%0.242SC*.SBendtrans-65.5-26.7179.127.3-35.4000112.7I152P24-I152 HydrophobicContact CG-CD1 3.88Å
25E94.7Very high93.3Very high61 Ų6142.6 Ų42.629%0.28524%0.243SC..SBendtrans-153.8158.3171.856.2-178.6-176.200108.8V23 V124 R150 I152V23-E25 WeakPolarHBondContact CB-O 3.19Å; V23-E25 WeakPolarHBondContact CG2-O 3.28Å; V23-E25 PolarHBondContact O-N 3.05Å; E25-V124 HydrophobicContact CG-CG1 4.03Å; E25-V124 VanDerWaalsContact OE1-CG1 3.26Å; E25-V124 WeakPolarHBondContact OE1-CG1 3.3Å; E25-R150 IonicContact OE1-CZ 2.66Å; E25-R150 IonicContact OE1-NH1 2.77Å; E25-R150 PolarHBondContact OE1-NH1 3.39Å; E25-R150 IonicContact OE1-NH2 3.95Å; E25-R150 PolarHBondContact OE1-NH2 3.4Å; E25-R150 IonicContact OE2-CZ 3.49Å; E25-R150 IonicContact OE2-NH1 3.21Å; E25-R150 PolarHBondContact OE2-NH1 2.8Å; E25-R150 IonicContact OE2-NH2 2.82Å; E25-R150 PolarHBondContact OE2-NH2 2.91Å; E25-I152 HydrophobicContact CG-CD1 3.49Å; E25-I152 VanDerWaalsContact CG-CD1 3.49Å; E25-I152 WeakPolarHBondContact OE1-CD1 3.41Å; E25-I152 WeakPolarHBondContact OE1-CG2 3.49Å
26K95.3Very high93.3Very high135 Ų13539.7 Ų39.759%0.58722%0.219SC*.  trans-61.1137.9179.4-68.4178170.5-170.30110.6
27L95Very high93.3Very high0 Ų039.8 Ų39.80%022%0.221CC..  trans-106.2135.1-177.2-49.5176.3000110.9M17 Q18 V23 Y30 V124 I152 V154 L158M17-L27 HydrophobicContact CB-CB 4.16Å; M17-L27 HydrophobicContact CB-CD1 4.48Å; M17-L27 HydrophobicContact CE-CB 4.15Å; M17-L27 HydrophobicContact CG-CB 4.42Å; M17-L27 HydrophobicContact CG-CD1 4.26Å; M17-L27 PolarHBondContact O-N 3.26Å; Q18-L27 PolarHBondContact NE2-O 3.02Å; V23-L27 HydrophobicContact CB-CG 4.45Å; V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.21Å; L27-Y30 HydrophobicContact CD1-CD2 3.89Å; L27-V124 HydrophobicContact CD2-CG1 3.79Å; L27-I152 HydrophobicContact CD2-CD1 3.71Å; L27-I152 HydrophobicContact CD2-CG1 4.08Å; L27-V154 HydrophobicContact CD1-CG2 4.14Å; L27-V154 HydrophobicContact CD2-CG2 4.35Å; L27-L158 HydrophobicContact CD1-CD1 3.78Å
28D94.1Very high93.4Very high22 Ų2240 Ų4012%0.11822%0.222CC..SBendtrans-86.4-27.3171.1-57.3-68.9000111.5T67 L119 F120 S123 V124D28-T67 PolarHBondContact O-N 2.83Å; D28-L119 HydrophobicContact CB-CD2 4.27Å; D28-F120 WeakPolarHBondContact OD1-CZ 3.46Å; D28-S123 WeakPolarHBondContact OD2-CA 3.26Å; D28-S123 WeakPolarHBondContact OD2-CB 3.5Å; D28-V124 PolarHBondContact N-O 2.84Å; D28-V124 PolarHBondContact OD2-N 3.06Å
29A93.8Very high93.2Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-144155.2171.600000113.3I64 D65 D66 L115 L119 V124 V125 G126A29-I64 HydrophobicContact CB-CG2 3.88Å; A29-D65 WeakPolarHBondContact CA-O 3.4Å; A29-D65 VanDerWaalsContact CB-O 3.32Å; A29-D65 WeakPolarHBondContact CB-O 3.36Å; A29-D66 HydrophobicContact CB-CB 4.45Å; A29-L115 HydrophobicContact CB-CD2 4.21Å; A29-L119 HydrophobicContact CB-CD1 4Å; A29-L119 HydrophobicContact CB-CD2 4.44Å; A29-V124 PolarHBondContact N-O 3.08Å; A29-V125 HydrophobicContact CB-CG1 4.31Å; A29-V125 HydrophobicContact CB-CG2 4.26Å; A29-V125 WeakPolarHBondContact O-CA 3.31Å; A29-G126 PolarHBondContact O-N 2.87Å
30Y94.9Very high93Very high2 Ų239.5 Ų39.51%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-131.6131.4174.8-169.5-113.9000111.6L13 L27 V32 D65 G126 V154 L158L13-Y30 HydrophobicContact CD1-CD1 4.3Å; L27-Y30 HydrophobicContact CD1-CD2 3.89Å; Y30-V32 HydrophobicContact CD1-CG2 3.69Å; Y30-V32 HydrophobicContact CE1-CG2 3.8Å; Y30-D65 PolarHBondContact N-O 3.1Å; Y30-D65 PolarHBondContact O-N 3.22Å; Y30-G126 WeakPolarHBondContact CA-O 3.22Å; Y30-G126 VanDerWaalsContact CD2-C 3.5Å; Y30-G126 WeakPolarHBondContact CD2-O 3.48Å; Y30-V154 HydrophobicContact CE2-CB 4.33Å; Y30-V154 HydrophobicContact CE2-CG2 4.49Å; Y30-L158 HydrophobicContact CD1-CB 4.23Å; Y30-L158 HydrophobicContact CD1-CD1 4.2Å; Y30-L158 HydrophobicContact CD1-CG 4.48Å; Y30-L158 HydrophobicContact CD2-CD1 3.67Å; Y30-L158 HydrophobicContact CD2-CG 4.26Å; Y30-L158 HydrophobicContact CE1-CB 3.73Å; Y30-L158 HydrophobicContact CE1-CD1 4.22Å; Y30-L158 HydrophobicContact CE1-CG 4.03Å; Y30-L158 HydrophobicContact CE2-CB 4.42Å; Y30-L158 HydrophobicContact CE2-CD1 3.7Å; Y30-L158 HydrophobicContact CE2-CG 3.79Å; Y30-L158 HydrophobicContact CG-CD1 3.92Å; Y30-L158 PolarHBondContact OH-N 3.14Å
31I94.6Very high92.5Very high1 Ų138 Ų381%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-97.2128.7180-59.8170.9000109.5P33 F63 I64 L111 L115 V125 G126 I127 L140 L151I31-P33 HydrophobicContact CG2-CG 4.37Å; I31-P33 WeakPolarHBondContact O-CD 3.43Å; I31-F63 WeakPolarHBondContact CA-O 3.26Å; I31-I64 HydrophobicContact CG1-CG1 4.45Å; I31-L111 HydrophobicContact CD1-CD2 4.15Å; I31-L115 HydrophobicContact CD1-CD1 4.37Å; I31-V125 HydrophobicContact CD1-CG1 3.67Å; I31-V125 HydrophobicContact CG1-CG1 3.81Å; I31-G126 PolarHBondContact N-O 3.41Å; I31-I127 HydrophobicContact CB-CB 4.24Å; I31-I127 HydrophobicContact CB-CD1 4.05Å; I31-I127 HydrophobicContact CB-CG1 4.13Å; I31-I127 HydrophobicContact CG2-CD1 3.83Å; I31-I127 HydrophobicContact CG2-CG1 4.34Å; I31-L140 HydrophobicContact CD1-CD2 3.43Å; I31-L140 VanDerWaalsContact CD1-CD2 3.43Å; I31-L151 HydrophobicContact CD1-CD1 4.03Å
32V93.4Very high92.2Very high3 Ų330.6 Ų30.62%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-117.199174.5-1720000109.7Y30 R49 R50 L53 F63 V159Y30-V32 HydrophobicContact CD1-CG2 3.69Å; Y30-V32 HydrophobicContact CE1-CG2 3.8Å; V32-R49 HydrophobicContact CG1-CB 4.14Å; V32-R50 HydrophobicContact CG1-CB 4.12Å; V32-L53 HydrophobicContact CG1-CD1 4.39Å; V32-L53 HydrophobicContact CG2-CD1 3.99Å; V32-F63 HydrophobicContact CB-CB 4.34Å; V32-F63 HydrophobicContact CB-CD1 4.11Å; V32-F63 HydrophobicContact CG2-CD1 3.91Å; V32-F63 PolarHBondContact N-O 3Å; V32-F63 PolarHBondContact O-N 2.91Å; V32-F63 VanDerWaalsContact O-N 3.11Å; V32-V159 HydrophobicContact CG1-CG2 4.01Å; V32-V159 HydrophobicContact CG2-CG2 3.87Å
33P90.7Very high92.2Very high15 Ų1528.7 Ų28.710%0.09716%0.157CC..EExtended strand (participates in β ladder)trans-67.8166.7171.1-19.134000112.4I31 I127 V131 C132I31-P33 HydrophobicContact CG2-CG 4.37Å; I31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-I127 HydrophobicContact CG-CD1 3.93Å; P33-I127 HydrophobicContact CG-CG1 4.31Å; P33-V131 WeakPolarHBondContact CB-O 3.36Å; P33-V131 HydrophobicContact CG-CG2 4.39Å; P33-V131 WeakPolarHBondContact CG-O 3.46Å; P33-C132 HydrophobicContact CG-CB 4.31Å
34S86.6Confident92.1Very high13 Ų1328.5 Ų28.59%0.09116%0.156CC..SBendtrans-87-18.5175-68.60000114.8R50 G61S34-R50 PolarHBondContact OG-NE 2.94Å; S34-R50 VanDerWaalsContact OG-NE 3.09Å; S34-R50 PolarHBondContact OG-NH2 3.43Å; S34-G61 WeakPolarHBondContact CB-O 3.38Å; S34-G61 PolarHBondContact N-O 2.99Å; S34-G61 PolarHBondContact OG-N 3.21Å; S34-G61 VanDerWaalsContact OG-N 3.13Å; S34-G61 PolarHBondContact OG-O 2.81Å
35G84.9Confident92.2Very high15 Ų1528.6 Ų28.616%0.15515%0.151CC..  trans-76.6172.5-173.400000113.7
36D93.5Very high92.2Very high3 Ų325.8 Ų25.82%0.01614%0.138CC..  trans-105.6-168.3170.767.16.8000110.9H38 N39 S40 T43 D47D36-H38 PolarHBondContact O-N 2.87Å; D36-H38 VanDerWaalsContact O-N 3.16Å; D36-H38 WeakPolarHBondContact OD1-CA 3.46Å; D36-H38 PolarHBondContact OD1-N 3.42Å; D36-N39 PolarHBondContact O-N 3Å; D36-N39 PolarHBondContact OD1-N 3.3Å; D36-S40 VanDerWaalsContact CG-OG 3.28Å; D36-S40 PolarHBondContact OD1-N 2.86Å; D36-S40 PolarHBondContact OD1-OG 2.89Å; D36-S40 WeakPolarHBondContact OD2-CB 3.23Å; D36-S40 PolarHBondContact OD2-OG 3.43Å; D36-T43 HydrophobicContact CB-CG2 4.02Å; D36-D47 HydrophobicContact CB-CB 4.03Å
37A96.4Very high92.2Very high19 Ų1920.1 Ų20.116%0.15711%0.114CC..THydrogen-bonded Turntrans-65.9-14-179.700000114.8Y130 Y234 N297A37-Y130 VanDerWaalsContact CA-O 3.27Å; A37-Y130 WeakPolarHBondContact CA-O 3.36Å; A37-Y234 WeakPolarHBondContact CB-OH 3.34Å; A37-Y234 PolarHBondContact O-OH 3.45Å; A37-N297 PolarHBondContact O-ND2 3.09Å
38H96.4Very high92.1Very high8 Ų823.6 Ų23.64%0.03713%0.127CC..THydrogen-bonded Turntrans-114.25.9-173.8-61.3-83.9000112.9D36 S40 S209 L211 F232 A233 Y234 Y271D36-H38 PolarHBondContact O-N 2.87Å; D36-H38 VanDerWaalsContact O-N 3.16Å; D36-H38 WeakPolarHBondContact OD1-CA 3.46Å; D36-H38 PolarHBondContact OD1-N 3.42Å; H38-S40 PolarHBondContact O-N 3.28Å; H38-S209 WeakPolarHBondContact CB-O 3.36Å; H38-S209 PolarHBondContact ND1-O 3.21Å; H38-L211 HydrophobicContact CB-CD1 4.26Å; H38-L211 HydrophobicContact CB-CD2 3.84Å; H38-L211 HydrophobicContact CB-CG 3.67Å; H38-L211 VanDerWaalsContact CE1-CD2 3.48Å; H38-L211 WeakPolarHBondContact CE1-CD2 3.22Å; H38-L211 WeakPolarHBondContact ND1-CD2 3.42Å; H38-F232 AromaticContact CD2-CD1 3.7Å; H38-F232 AromaticContact NE2-CD1 3.78Å; H38-A233 PolarHBondContact CE1-O 3Å; H38-Y234 AromaticContact CE1-CD1 3.92Å; H38-Y234 AromaticContact CE1-CD2 3.75Å; H38-Y234 AromaticContact CE1-CE1 3.48Å; H38-Y234 VanDerWaalsContact CE1-CE1 3.48Å; H38-Y234 WeakPolarHBondContact CE1-CE1 3.27Å; H38-Y234 AromaticContact CE1-CE2 3.31Å; H38-Y234 WeakPolarHBondContact CE1-CE2 3.37Å; H38-Y234 AromaticContact CE1-CZ 3.15Å; H38-Y234 AromaticContact ND1-CE1 3.59Å; H38-Y234 AromaticContact ND1-CZ 3.65Å; H38-Y234 AromaticContact NE2-CE2 3.78Å; H38-Y234 AromaticContact NE2-CZ 3.74Å; H38-Y271 AromaticContact CE1-CE2 3.88Å; H38-Y271 AromaticContact NE2-CE2 3.48Å; H38-Y271 WeakPolarHBondContact NE2-CE2 3.42Å; H38-Y271 AromaticContact NE2-CZ 3.51Å; H38-Y271 PolarHBondContact NE2-OH 3.29Å
39N91.1Very high92Very high90 Ų9023.3 Ų23.348%0.48112%0.124SC..  trans5736-174.9-165.645.2000112.5D36D36-N39 PolarHBondContact O-N 3Å; D36-N39 PolarHBondContact OD1-N 3.3Å
40S91.2Very high91.9Very high24 Ų2423.8 Ų23.817%0.16813%0.126CC..  trans-65.8142.2176.8-50.50000111.1D36 H38 Y42D36-S40 VanDerWaalsContact CG-OG 3.28Å; D36-S40 PolarHBondContact OD1-N 2.86Å; D36-S40 PolarHBondContact OD1-OG 2.89Å; D36-S40 WeakPolarHBondContact OD2-CB 3.23Å; D36-S40 PolarHBondContact OD2-OG 3.43Å; H38-S40 PolarHBondContact O-N 3.28Å; S40-Y42 WeakPolarHBondContact CB-O 3.39Å
41E82.9Confident91.7Very high55 Ų5525 Ų2526%0.25713%0.134SC..SBendtrans-73.2-49.2174.8177.7168.7-144.600112.4R60 H501E41-R60 IonicContact OE1-NH2 2.97Å; E41-R60 PolarHBondContact OE1-NH2 2.85Å; E41-H501 VanDerWaalsContact CD-ND1 3.32Å; E41-H501 IonicContact OE1-ND1 2.84Å; E41-H501 WeakPolarHBondContact OE2-CB 3.43Å; E41-H501 IonicContact OE2-CE1 3.44Å; E41-H501 IonicContact OE2-CG 3.37Å; E41-H501 IonicContact OE2-ND1 2.79Å; E41-H501 PolarHBondContact OE2-ND1 2.87Å
42Y87.1Confident91.5Very high26 Ų2627 Ų2710%0.10214%0.143CC..SBendtrans-90.1131.8166.2-65.5-72.8000108.5S40 I225 Y227 F384 V500S40-Y42 WeakPolarHBondContact CB-O 3.39Å; Y42-I225 WeakPolarHBondContact O-CG2 3.33Å; Y42-Y227 HydrophobicContact CD1-CD2 4.48Å; Y42-F384 HydrophobicContact CE2-CB 4.33Å; Y42-F384 WeakPolarHBondContact OH-CB 3.38Å; Y42-V500 HydrophobicContact CE2-CG1 4.49Å
43T91.9Very high91.3Very high10 Ų1026.8 Ų26.86%0.06114%0.142CC..  trans-112.7148.6179.255.70000111.4D36 R48D36-T43 HydrophobicContact CB-CG2 4.02Å; T43-R48 PolarHBondContact O-NE 2.97Å; T43-R48 PolarHBondContact O-NH2 2.86Å
44A94.3Very high91.2Very high1 Ų126.3 Ų26.31%0.00814%0.139CC..  trans-58.1153.6169.200000110.7C46 D47 R48 P171 I225 F232A44-C46 PolarHBondContact O-N 2.84Å; A44-C46 VanDerWaalsContact O-N 3.16Å; A44-D47 PolarHBondContact O-N 2.8Å; A44-R48 PolarHBondContact O-N 3Å; A44-P171 HydrophobicContact CB-CG 3.65Å; A44-I225 HydrophobicContact CB-CD1 4.21Å; A44-F232 HydrophobicContact CB-CE2 4.29Å; A44-F232 HydrophobicContact CB-CZ 3.85Å
45L92.7Very high91.3Very high98 Ų9826.8 Ų26.851%0.51315%0.146SC..G310 helixtrans-56.7-35.6-176.8-66.3177.1000112.6D47 R48 W163 P168L45-D47 PolarHBondContact O-N 2.69Å; L45-R48 PolarHBondContact O-N 3.45Å; L45-W163 VanDerWaalsContact O-CH2 3.32Å; L45-W163 WeakPolarHBondContact O-CH2 3.24Å; L45-P168 HydrophobicContact CB-CB 3.97Å; L45-P168 HydrophobicContact CB-CG 3.95Å
46C94.6Very high91.5Very high2 Ų226 Ų261%0.01414%0.138CC..G310 helixtrans-65.1-20177.258.30000114.1A44 W163 R167 P168A44-C46 PolarHBondContact O-N 2.84Å; A44-C46 VanDerWaalsContact O-N 3.16Å; C46-W163 WeakPolarHBondContact O-CZ3 3.35Å; C46-R167 VanDerWaalsContact O-CZ 3.31Å; C46-R167 PolarHBondContact O-NE 2.8Å; C46-R167 PolarHBondContact O-NH2 3.26Å; C46-P168 HydrophobicContact CB-CB 4.4Å; C46-P168 WeakPolarHBondContact CB-O 3.44Å
47D95.1Very high91.3Very high15 Ų1528.9 Ų28.98%0.0816%0.156CC..G310 helixtrans-101.6-2.6-178.7-65-52000113.2D36 A44 L45 R49 R167D36-D47 HydrophobicContact CB-CB 4.03Å; A44-D47 PolarHBondContact O-N 2.8Å; L45-D47 PolarHBondContact O-N 2.69Å; D47-R49 PolarHBondContact O-N 3.36Å; D47-R49 IonicContact OD1-CZ 3.44Å; D47-R49 IonicContact OD1-NH1 3.2Å; D47-R49 PolarHBondContact OD1-NH1 3.46Å; D47-R49 IonicContact OD1-NH2 2.7Å; D47-R49 PolarHBondContact OD1-NH2 2.88Å; D47-R167 IonicContact OD1-NH2 3.14Å; D47-R167 PolarHBondContact OD1-NH2 3.32Å
48R92.8Very high90.6Very high73 Ų7328 Ų2828%0.27515%0.149SC..  trans-76.343.6178.1-63.7-175.2-174.7-172.30.2113.4T43 A44 L45 R50 S51 F52T43-R48 PolarHBondContact O-NE 2.97Å; T43-R48 PolarHBondContact O-NH2 2.86Å; A44-R48 PolarHBondContact O-N 3Å; L45-R48 PolarHBondContact O-N 3.45Å; R48-R50 PolarHBondContact O-N 2.89Å; R48-S51 WeakPolarHBondContact O-CA 3.42Å; R48-S51 WeakPolarHBondContact O-CB 3.45Å; R48-S51 PolarHBondContact O-N 3.4Å; R48-F52 PolarHBondContact O-N 3.22Å
49R93Very high89.5Confident16 Ų1628.6 Ų28.66%0.0615%0.154CC..Hα-helixtrans-55.1-45.5-176.4-67.7169.2179.7101-4.6113.1V32 D47 S51 F52 L53 N157 V159 D160 W163V32-R49 HydrophobicContact CG1-CB 4.14Å; D47-R49 PolarHBondContact O-N 3.36Å; D47-R49 IonicContact OD1-CZ 3.44Å; D47-R49 IonicContact OD1-NH1 3.2Å; D47-R49 PolarHBondContact OD1-NH1 3.46Å; D47-R49 IonicContact OD1-NH2 2.7Å; D47-R49 PolarHBondContact OD1-NH2 2.88Å; R49-S51 VanDerWaalsContact C-N 3.35Å; R49-S51 PolarHBondContact O-N 2.98Å; R49-F52 WeakPolarHBondContact O-CB 3.37Å; R49-F52 PolarHBondContact O-N 3.4Å; R49-L53 PolarHBondContact O-N 3.29Å; R49-N157 VanDerWaalsContact CD-ND2 3.32Å; R49-N157 WeakPolarHBondContact CD-ND2 3.3Å; R49-N157 WeakPolarHBondContact CD-OD1 3.23Å; R49-N157 VanDerWaalsContact NE-CG 3.29Å; R49-N157 PolarHBondContact NE-ND2 3.47Å; R49-N157 PolarHBondContact NE-OD1 3.44Å; R49-V159 HydrophobicContact CB-CB 4.03Å; R49-V159 HydrophobicContact CB-CG1 3.87Å; R49-V159 HydrophobicContact CB-CG2 4.2Å; R49-V159 HydrophobicContact CG-CB 4.13Å; R49-V159 HydrophobicContact CG-CG1 4.16Å; R49-D160 IonicContact CZ-OD1 3.14Å; R49-D160 IonicContact CZ-OD2 3.12Å; R49-D160 IonicContact NE-OD1 2.78Å; R49-D160 PolarHBondContact NE-OD1 2.9Å; R49-D160 IonicContact NE-OD2 2.76Å; R49-D160 PolarHBondContact NE-OD2 3.36Å; R49-D160 IonicContact NH2-OD1 3.88Å; R49-D160 IonicContact NH2-OD2 3.32Å; R49-D160 PolarHBondContact NH2-OD2 2.96Å; R49-W163 HydrophobicContact CG-CE3 4.37Å; R49-W163 HydrophobicContact CG-CZ3 4.09Å
50R91.4Very high88Confident11 Ų1129 Ų294%0.04215%0.149CC..Hα-helixtrans-65.1-37.1175.8167.7-78.7-44.1-153.8-2.8112V32 S34 R48 F52 L53 T54 F56 G58 L80V32-R50 HydrophobicContact CG1-CB 4.12Å; S34-R50 PolarHBondContact OG-NE 2.94Å; S34-R50 VanDerWaalsContact OG-NE 3.09Å; S34-R50 PolarHBondContact OG-NH2 3.43Å; R48-R50 PolarHBondContact O-N 2.89Å; R50-F52 VanDerWaalsContact C-N 3.34Å; R50-L53 PolarHBondContact O-N 2.89Å; R50-T54 HydrophobicContact CG-CG2 4.25Å; R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 WeakPolarHBondContact O-CG2 3.44Å; R50-T54 PolarHBondContact O-N 3.01Å; R50-T54 PolarHBondContact O-OG1 2.64Å; R50-F56 PolarHBondContact NH1-O 2.83Å; R50-G58 PolarHBondContact NH1-O 2.95Å; R50-G58 PolarHBondContact NH2-O 3.12Å; R50-L80 HydrophobicContact CG-CD1 4.19Å
51S90.3Very high85.9Confident26 Ų2628.3 Ų28.318%0.18215%0.145CC..Hα-helixtrans-66.2-38.9174-173.70000111.6R48 R49 G55 F56R48-S51 WeakPolarHBondContact O-CA 3.42Å; R48-S51 WeakPolarHBondContact O-CB 3.45Å; R48-S51 PolarHBondContact O-N 3.4Å; R49-S51 VanDerWaalsContact C-N 3.35Å; R49-S51 PolarHBondContact O-N 2.98Å; S51-G55 WeakPolarHBondContact O-CA 3.4Å; S51-G55 PolarHBondContact O-N 3.2Å; S51-F56 WeakPolarHBondContact CA-O 2.83Å
52F91.3Very high84.4Confident43 Ų4329.7 Ų29.719%0.18915%0.148CC..Hα-helixtrans-61-41.9175.7167.1-103.3000112.1M1 L9 R48 R49 R50 V159 I162 W163M1-F52 WeakPolarHBondContact CE-O 2.87Å; L9-F52 HydrophobicContact CD1-CE1 4.39Å; L9-F52 HydrophobicContact CD1-CE2 4.49Å; L9-F52 HydrophobicContact CD1-CZ 4.22Å; L9-F52 HydrophobicContact CD2-CE1 3.84Å; L9-F52 HydrophobicContact CD2-CE2 4.33Å; L9-F52 HydrophobicContact CD2-CZ 3.49Å; L9-F52 VanDerWaalsContact CD2-CZ 3.49Å; R48-F52 PolarHBondContact O-N 3.22Å; R49-F52 WeakPolarHBondContact O-CB 3.37Å; R49-F52 PolarHBondContact O-N 3.4Å; R50-F52 VanDerWaalsContact C-N 3.34Å; F52-V159 HydrophobicContact CD1-CG1 3.7Å; F52-V159 HydrophobicContact CE1-CG1 4.18Å; F52-I162 HydrophobicContact CE1-CD1 4.48Å; F52-I162 HydrophobicContact CE1-CG1 4.41Å; F52-W163 HydrophobicContact CB-CD2 4.28Å; F52-W163 HydrophobicContact CB-CE3 4.31Å; F52-W163 HydrophobicContact CB-CH2 4.03Å; F52-W163 HydrophobicContact CB-CZ2 4Å; F52-W163 HydrophobicContact CB-CZ3 4.2Å; F52-W163 HydrophobicContact CD1-CB 4.28Å; F52-W163 HydrophobicContact CD1-CD2 4.04Å; F52-W163 HydrophobicContact CD1-CE3 4.34Å; F52-W163 HydrophobicContact CD1-CG 4.04Å; F52-W163 AromaticContact CD2-CD1 3.7Å; F52-W163 AromaticContact CD2-CD2 3.99Å; F52-W163 HydrophobicContact CD2-CD2 3.99Å; F52-W163 AromaticContact CD2-CE2 3.62Å; F52-W163 HydrophobicContact CD2-CG 4.05Å; F52-W163 HydrophobicContact CD2-CZ2 4.14Å; F52-W163 AromaticContact CD2-NE1 3.47Å; F52-W163 HydrophobicContact CE1-CB 3.82Å; F52-W163 HydrophobicContact CE1-CD2 4.37Å; F52-W163 AromaticContact CE1-CG 3.88Å; F52-W163 HydrophobicContact CE1-CG 3.88Å; F52-W163 AromaticContact CE2-CD1 3.37Å; F52-W163 HydrophobicContact CE2-CD2 4.34Å; F52-W163 AromaticContact CE2-CG 3.9Å; F52-W163 HydrophobicContact CE2-CG 3.9Å; F52-W163 AromaticContact CE2-NE1 3.57Å; F52-W163 AromaticContact CG-CD2 3.82Å; F52-W163 HydrophobicContact CG-CD2 3.82Å; F52-W163 AromaticContact CG-CE2 3.81Å; F52-W163 HydrophobicContact CG-CE3 4.24Å; F52-W163 HydrophobicContact CG-CG 4.11Å; F52-W163 HydrophobicContact CG-CZ2 4.2Å; F52-W163 HydrophobicContact CZ-CB 3.97Å; F52-W163 AromaticContact CZ-CD1 3.62Å; F52-W163 AromaticContact CZ-CG 3.8Å; F52-W163 HydrophobicContact CZ-CG 3.8Å
53L89.5Confident82.7Confident0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-73.9-39.7179-69.6178000113.9L9 L13 V32 R49 R50 F63 V159 I162L9-L53 HydrophobicContact CB-CD2 4.4Å; L13-L53 HydrophobicContact CD2-CD1 4.03Å; V32-L53 HydrophobicContact CG1-CD1 4.39Å; V32-L53 HydrophobicContact CG2-CD1 3.99Å; R49-L53 PolarHBondContact O-N 3.29Å; R50-L53 PolarHBondContact O-N 2.89Å; L53-F63 HydrophobicContact CD1-CD1 4.16Å; L53-F63 HydrophobicContact CD1-CE1 4.22Å; L53-V159 HydrophobicContact CD1-CG1 4.22Å; L53-V159 HydrophobicContact CD1-CG2 3.71Å; L53-V159 HydrophobicContact CD2-CG1 4.16Å; L53-V159 HydrophobicContact CG-CG1 3.97Å; L53-V159 HydrophobicContact CG-CG2 4.39Å; L53-I162 HydrophobicContact CD2-CD1 3.86Å
54T88.3Confident80.7Confident4 Ų428 Ų283%0.02514%0.14CC..Hα-helixtrans-106.5-22.3-164.166.70000113.8R50 F56 L80 W98R50-T54 HydrophobicContact CG-CG2 4.25Å; R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 WeakPolarHBondContact O-CG2 3.44Å; R50-T54 PolarHBondContact O-N 3.01Å; R50-T54 PolarHBondContact O-OG1 2.64Å; T54-F56 PolarHBondContact O-N 2.73Å; T54-F56 WeakPolarHBondContact OG1-CB 3.36Å; T54-F56 PolarHBondContact OG1-N 3.18Å; T54-L80 HydrophobicContact CG2-CD1 3.87Å; T54-W98 HydrophobicContact CG2-CD2 4.37Å; T54-W98 HydrophobicContact CG2-CE3 4.07Å; T54-W98 HydrophobicContact CG2-CH2 3.1Å; T54-W98 HydrophobicContact CG2-CZ2 3.49Å; T54-W98 VanDerWaalsContact CG2-CZ2 3.49Å; T54-W98 HydrophobicContact CG2-CZ3 3.35Å
55G88.3Confident78.3Confident23 Ų2327.9 Ų27.924%0.23714%0.14CC..  trans74-5.7-164.900000114.9S51S51-G55 WeakPolarHBondContact O-CA 3.4Å; S51-G55 PolarHBondContact O-N 3.2Å
56F89.5Confident75.7Confident0 Ų023.5 Ų23.50%012%0.117CC..  trans-82.4123.3177.9169.4-116.3000111.7R50 S51 T54 R60 L80 Y86 Q89 A90 Q93 L94R50-F56 PolarHBondContact NH1-O 2.83Å; S51-F56 WeakPolarHBondContact CA-O 2.83Å; T54-F56 PolarHBondContact O-N 2.73Å; T54-F56 WeakPolarHBondContact OG1-CB 3.36Å; T54-F56 PolarHBondContact OG1-N 3.18Å; F56-R60 WeakPolarHBondContact CE1-O 3.5Å; F56-L80 HydrophobicContact CB-CD1 4.26Å; F56-L80 HydrophobicContact CD1-CD1 3.64Å; F56-L80 HydrophobicContact CD1-CD2 3.71Å; F56-L80 HydrophobicContact CD1-CG 4.34Å; F56-L80 HydrophobicContact CE1-CD1 4.47Å; F56-L80 HydrophobicContact CE1-CD2 3.89Å; F56-L80 HydrophobicContact CG-CD1 4.33Å; F56-L80 HydrophobicContact CG-CD2 4.45Å; F56-Y86 HydrophobicContact CE2-CD1 4.35Å; F56-Y86 HydrophobicContact CE2-CG 4.36Å; F56-Y86 HydrophobicContact CZ-CD1 4.18Å; F56-Y86 HydrophobicContact CZ-CD2 4.37Å; F56-Y86 AromaticContact CZ-CG 3.84Å; F56-Y86 HydrophobicContact CZ-CG 3.84Å; F56-Q89 HydrophobicContact CD2-CG 4.39Å; F56-Q89 HydrophobicContact CE2-CB 4.42Å; F56-Q89 HydrophobicContact CE2-CG 4.06Å; F56-A90 HydrophobicContact CD2-CB 3.89Å; F56-A90 HydrophobicContact CE2-CB 3.8Å; F56-A90 HydrophobicContact CG-CB 4.5Å; F56-A90 HydrophobicContact CZ-CB 4.34Å; F56-Q93 VanDerWaalsContact CD2-OE1 3.32Å; F56-L94 HydrophobicContact CB-CD2 3.86Å; F56-L94 HydrophobicContact CB-CG 4.37Å
57T88.3Confident72.9Confident62 Ų6225 Ų2538%0.3813%0.126SC..  trans-106.12.4-168.261.10000115.4Q89 Q93T57-Q89 PolarHBondContact OG1-NE2 3.06Å; T57-Q93 PolarHBondContact OG1-NE2 3.3Å; T57-Q93 PolarHBondContact OG1-OE1 3.39Å
58G82.8Confident69.8Low1 Ų132.1 Ų32.11%0.0115%0.153CC..  trans-61.4156.1178.300000112.5R50 R60 Y86R50-G58 PolarHBondContact NH1-O 2.95Å; R50-G58 PolarHBondContact NH2-O 3.12Å; G58-R60 VanDerWaalsContact C-N 3.27Å; G58-R60 PolarHBondContact O-N 3.1Å; G58-Y86 VanDerWaalsContact CA-CE1 3.41Å
59S73.4Confident66.8Low21 Ų2129.7 Ų29.715%0.14715%0.151CC..SBendtrans-71.7-21.3-177.464.70000113.5Y86S59-Y86 PolarHBondContact N-OH 3.38Å; S59-Y86 PolarHBondContact OG-OH 2.99Å
60R58.3Low64Low98 Ų9838.4 Ų38.437%0.3719%0.193SC..  trans-118.7125.9-176.4-60.9-176.2-175-178.16.2112E41 F56 G58 T82 V83 Y86E41-R60 IonicContact OE1-NH2 2.97Å; E41-R60 PolarHBondContact OE1-NH2 2.85Å; F56-R60 WeakPolarHBondContact CE1-O 3.5Å; G58-R60 VanDerWaalsContact C-N 3.27Å; G58-R60 PolarHBondContact O-N 3.1Å; R60-T82 PolarHBondContact O-OG1 3.48Å; R60-V83 HydrophobicContact CB-CG2 4.05Å; R60-Y86 HydrophobicContact CB-CD2 4.14Å; R60-Y86 HydrophobicContact CB-CE2 3.99Å; R60-Y86 HydrophobicContact CG-CE2 4.29Å
61G47.1Very low61.3Low10 Ų1049.5 Ų49.510%0.10323%0.234CC..  trans178.5157.7167.100000113.9S34 W81S34-G61 WeakPolarHBondContact CB-O 3.38Å; S34-G61 PolarHBondContact N-O 2.99Å; S34-G61 PolarHBondContact OG-N 3.21Å; S34-G61 VanDerWaalsContact OG-N 3.13Å; S34-G61 PolarHBondContact OG-O 2.81Å; G61-W81 CarbonylContact C-O 3.39Å; G61-W81 WeakPolarHBondContact CA-O 3.49Å
62R52.1Low58.7Low83 Ų8351.2 Ų51.231%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-131.4132.5177.3-64176.1179.5151.8-3109L80 W81 F136R62-L80 WeakPolarHBondContact O-CA 3.45Å; R62-W81 HydrophobicContact CB-CB 4.5Å; R62-W81 PolarHBondContact N-O 3.47Å; R62-W81 PolarHBondContact O-N 2.9Å; R62-F136 VanDerWaalsContact NH2-CD2 3.31Å
63F52.4Low56.1Low0 Ų059 Ų590%028%0.275CS..EExtended strand (participates in β ladder)trans-109.4145.6177.8164.4-123.3000111.7L10 L13 I31 V32 L53 D65 A78 A79 W98L10-F63 HydrophobicContact CD2-CE1 4.2Å; L10-F63 HydrophobicContact CD2-CZ 3.67Å; L13-F63 HydrophobicContact CD2-CE1 3.98Å; I31-F63 WeakPolarHBondContact CA-O 3.26Å; V32-F63 HydrophobicContact CB-CB 4.34Å; V32-F63 HydrophobicContact CB-CD1 4.11Å; V32-F63 HydrophobicContact CG2-CD1 3.91Å; V32-F63 PolarHBondContact N-O 3Å; V32-F63 PolarHBondContact O-N 2.91Å; V32-F63 VanDerWaalsContact O-N 3.11Å; L53-F63 HydrophobicContact CD1-CD1 4.16Å; L53-F63 HydrophobicContact CD1-CE1 4.22Å; F63-D65 HydrophobicContact CE1-CB 3.72Å; F63-D65 HydrophobicContact CE2-CB 4.28Å; F63-D65 HydrophobicContact CZ-CB 3.4Å; F63-D65 VanDerWaalsContact CZ-CB 3.4Å; F63-D65 VanDerWaalsContact CZ-N 3.34Å; F63-A78 HydrophobicContact CE2-CB 3.6Å; F63-A78 HydrophobicContact CZ-CB 4.12Å; F63-A79 WeakPolarHBondContact CA-O 3.43Å; F63-A79 VanDerWaalsContact CD2-O 3.3Å; F63-A79 WeakPolarHBondContact CD2-O 3.39Å; F63-W98 HydrophobicContact CB-CH2 4.45Å; F63-W98 HydrophobicContact CB-CZ3 4.15Å; F63-W98 AromaticContact CD1-CH2 3.93Å; F63-W98 HydrophobicContact CD1-CH2 3.93Å; F63-W98 HydrophobicContact CD1-CZ3 4.37Å; F63-W98 AromaticContact CD2-CE3 3.98Å; F63-W98 HydrophobicContact CD2-CE3 3.98Å; F63-W98 AromaticContact CD2-CH2 3.19Å; F63-W98 HydrophobicContact CD2-CH2 3.19Å; F63-W98 HydrophobicContact CD2-CZ2 4.49Å; F63-W98 AromaticContact CD2-CZ3 2.89Å; F63-W98 HydrophobicContact CD2-CZ3 2.89Å; F63-W98 AromaticContact CE1-CH2 3.84Å; F63-W98 HydrophobicContact CE1-CH2 3.84Å; F63-W98 HydrophobicContact CE2-CE3 4.04Å; F63-W98 AromaticContact CE2-CH2 3.04Å; F63-W98 HydrophobicContact CE2-CH2 3.04Å; F63-W98 HydrophobicContact CE2-CZ2 4.07Å; F63-W98 AromaticContact CE2-CZ3 3.1Å; F63-W98 HydrophobicContact CE2-CZ3 3.1Å; F63-W98 AromaticContact CG-CH2 3.59Å; F63-W98 HydrophobicContact CG-CH2 3.59Å; F63-W98 AromaticContact CG-CZ3 3.57Å; F63-W98 HydrophobicContact CG-CZ3 3.57Å; F63-W98 AromaticContact CZ-CH2 3.39Å; F63-W98 HydrophobicContact CZ-CH2 3.39Å; F63-W98 HydrophobicContact CZ-CZ2 4.2Å; F63-W98 AromaticContact CZ-CZ3 3.96Å; F63-W98 HydrophobicContact CZ-CZ3 3.96Å
64I49.5Very low53.5Low0 Ų067.7 Ų67.70%032%0.316CS..EExtended strand (participates in β ladder)trans-123.7126.1161.9-46.6179.7000110.3A29 I31 A79 W81 L111 W114 L115A29-I64 HydrophobicContact CB-CG2 3.88Å; I31-I64 HydrophobicContact CG1-CG1 4.45Å; I64-A79 PolarHBondContact N-O 3.27Å; I64-A79 VanDerWaalsContact N-O 3.08Å; I64-A79 PolarHBondContact O-N 3.5Å; I64-A79 VanDerWaalsContact O-N 3.13Å; I64-W81 HydrophobicContact CB-CZ3 4.4Å; I64-W81 HydrophobicContact CD1-CH2 3.88Å; I64-W81 HydrophobicContact CD1-CZ3 3.75Å; I64-W81 HydrophobicContact CG1-CH2 4.43Å; I64-W81 HydrophobicContact CG1-CZ3 3.8Å; I64-L111 HydrophobicContact CD1-CD1 3.19Å; I64-L111 HydrophobicContact CD1-CG 3.65Å; I64-L111 HydrophobicContact CG1-CD1 3.52Å; I64-L111 HydrophobicContact CG1-CG 4.33Å; I64-W114 HydrophobicContact CB-CH2 4.48Å; I64-W114 HydrophobicContact CB-CZ3 3.81Å; I64-W114 HydrophobicContact CD1-CE3 3.61Å; I64-W114 HydrophobicContact CD1-CZ3 3.75Å; I64-W114 HydrophobicContact CG1-CZ3 4.34Å; I64-W114 HydrophobicContact CG2-CZ3 3.81Å; I64-L115 HydrophobicContact CD1-CD1 3.82Å; I64-L115 HydrophobicContact CD1-CD2 3.54Å; I64-L115 HydrophobicContact CD1-CG 3.42Å; I64-L115 VanDerWaalsContact CD1-CG 3.42Å; I64-L115 HydrophobicContact CG1-CD2 4.48Å; I64-L115 HydrophobicContact CG2-CD2 3.71Å
65D44.4Very low51.4Low0 Ų074.3 Ų74.30%034%0.344CS..EExtended strand (participates in β ladder)trans-94114.4157.8-159.3-10.7000107.9L13 R14 A29 Y30 F63 T67L13-D65 HydrophobicContact CD2-CB 4.41Å; R14-D65 VanDerWaalsContact CG-OD2 3.25Å; R14-D65 WeakPolarHBondContact CG-OD2 3.4Å; R14-D65 IonicContact CZ-OD1 2.73Å; R14-D65 IonicContact CZ-OD2 2.99Å; R14-D65 VanDerWaalsContact NE-CG 3.31Å; R14-D65 IonicContact NE-OD1 3.39Å; R14-D65 PolarHBondContact NE-OD1 3.17Å; R14-D65 IonicContact NE-OD2 2.77Å; R14-D65 PolarHBondContact NE-OD2 3.36Å; R14-D65 IonicContact NH2-OD1 3.62Å; R14-D65 PolarHBondContact NH2-OD1 3.25Å; A29-D65 WeakPolarHBondContact CA-O 3.4Å; A29-D65 VanDerWaalsContact CB-O 3.32Å; A29-D65 WeakPolarHBondContact CB-O 3.36Å; Y30-D65 PolarHBondContact N-O 3.1Å; Y30-D65 PolarHBondContact O-N 3.22Å; F63-D65 HydrophobicContact CE1-CB 3.72Å; F63-D65 HydrophobicContact CE2-CB 4.28Å; F63-D65 HydrophobicContact CZ-CB 3.4Å; F63-D65 VanDerWaalsContact CZ-CB 3.4Å; F63-D65 VanDerWaalsContact CZ-N 3.34Å; D65-T67 PolarHBondContact OD1-OG1 2.99Å
66D36.6Very low50Low5 Ų578.6 Ų78.63%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-106.5117.5171.267-42.1000108.9A29 N77 W114 L119A29-D66 HydrophobicContact CB-CB 4.45Å; D66-N77 WeakPolarHBondContact OD1-CB 3.49Å; D66-W114 HydrophobicContact CB-CH2 4.16Å; D66-W114 HydrophobicContact CB-CZ3 4.28Å; D66-W114 WeakPolarHBondContact OD1-CH2 2.97Å; D66-L119 HydrophobicContact CB-CD2 4.09Å
67T36.4Very low49.1Very low34 Ų3479.9 Ų79.921%0.20937%0.368CS..  trans-155.475.2173.59.30000110.5R14 D28 D65R14-T67 WeakPolarHBondContact CD-OG1 3.5Å; R14-T67 WeakPolarHBondContact CG-OG1 3.42Å; R14-T67 PolarHBondContact NE-OG1 3.46Å; D28-T67 PolarHBondContact O-N 2.83Å; D65-T67 PolarHBondContact OD1-OG1 2.99Å
68Y30.7Very low48.9Very low164 Ų16477 Ų7764%0.64335%0.351SS*.  trans-167.4131.4134.2-132.5-108.9000111.8F120Y68-F120 VanDerWaalsContact O-CE1 3.26Å; Y68-F120 WeakPolarHBondContact O-CE1 3.25Å
69G29.1Very low49.3Very low23 Ų2377 Ų7724%0.23735%0.35CS..  trans-177.5130.5168.800000106.1R71 L72G69-R71 PolarHBondContact O-N 3.17Å; G69-L72 PolarHBondContact O-N 3.18Å
70E33.5Very low50.1Low199 Ų19976 Ų7693%0.9334%0.343SS*.THydrogen-bonded Turntrans-57.8-7.9-175.5-72.8-166146.300114.1
71R35.6Very low51.8Low243 Ų24371.6 Ų71.692%0.91733%0.327SS*.THydrogen-bonded Turntrans-83.8-10170-85.9-176.4164.7-175-2.5116G69G69-R71 PolarHBondContact O-N 3.17Å
72L35.4Very low53.8Low63 Ų6371.1 Ų71.133%0.3332%0.322SS..  trans-124.543.1-171.8-74.1170.3000114.1G69 Q74G69-L72 PolarHBondContact O-N 3.18Å; L72-Q74 PolarHBondContact O-N 2.8Å
73K36Very low55.4Low206 Ų20668.3 Ų68.390%0.89631%0.314SS*.THydrogen-bonded Turntrans-66.911.7158-78.9-170.2178.3178.20113.5
74Q35.9Very low56.8Low183 Ų18369.1 Ų69.186%0.85532%0.322SS*.THydrogen-bonded Turntrans-131.6-4.7-171.5-114.9176.4-0.300117.3L72L72-Q74 PolarHBondContact O-N 2.8Å
75K45.1Very low58.6Low142 Ų14269.9 Ų69.962%0.61733%0.326SS*.  trans-146.5114.8170-71.2-169.8176.5179.60112N77K75-N77 VanDerWaalsContact C-N 3.34Å; K75-N77 WeakPolarHBondContact CB-OD1 3.44Å; K75-N77 PolarHBondContact O-N 2.79Å; K75-N77 VanDerWaalsContact O-N 3.08Å
76D57.7Low60.7Low114 Ų11470 Ų7061%0.6133%0.327SS*.  trans-69.490.5163.5-70.1-44.6000107.9R14R14-D76 IonicContact CZ-OD1 2.61Å; R14-D76 IonicContact NH1-OD1 3.61Å; R14-D76 PolarHBondContact NH1-OD1 2.91Å; R14-D76 IonicContact NH2-OD1 2.64Å
77N70.8Confident63.2Low26 Ų2671.7 Ų71.714%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-87124.6-178-78.4-15.2000109.2D66 K75 W114 E118D66-N77 WeakPolarHBondContact OD1-CB 3.49Å; K75-N77 VanDerWaalsContact C-N 3.34Å; K75-N77 WeakPolarHBondContact CB-OD1 3.44Å; K75-N77 PolarHBondContact O-N 2.79Å; K75-N77 VanDerWaalsContact O-N 3.08Å; N77-W114 HydrophobicContact CB-CZ2 4.46Å; N77-E118 PolarHBondContact ND2-OE2 3.16Å
78A83.3Confident65.7Low2 Ų271.3 Ų71.32%0.01733%0.33CS..EExtended strand (participates in β ladder)trans-132.4116.7174.600000106.8L10 F63 W98 T99L10-A78 HydrophobicContact CD1-CB 4Å; F63-A78 HydrophobicContact CE2-CB 3.6Å; F63-A78 HydrophobicContact CZ-CB 4.12Å; A78-W98 HydrophobicContact CB-CD2 4.04Å; A78-W98 HydrophobicContact CB-CE3 4.05Å; A78-W98 HydrophobicContact CB-CH2 4.27Å; A78-W98 HydrophobicContact CB-CZ2 4.26Å; A78-W98 HydrophobicContact CB-CZ3 4.25Å; A78-W98 CarbonylContact O-C 3.55Å; A78-W98 WeakPolarHBondContact O-CA 3.39Å; A78-T99 PolarHBondContact O-N 3.32Å
79A91.2Very high68.5Low0 Ų064.1 Ų64.10%030%0.302CS..EExtended strand (participates in β ladder)trans-123130.1-170.400000112.5F63 I64 W81 T99 M101 W114F63-A79 WeakPolarHBondContact CA-O 3.43Å; F63-A79 VanDerWaalsContact CD2-O 3.3Å; F63-A79 WeakPolarHBondContact CD2-O 3.39Å; I64-A79 PolarHBondContact N-O 3.27Å; I64-A79 VanDerWaalsContact N-O 3.08Å; I64-A79 PolarHBondContact O-N 3.5Å; I64-A79 VanDerWaalsContact O-N 3.13Å; A79-W81 HydrophobicContact CB-CE3 4.33Å; A79-W81 HydrophobicContact CB-CH2 3.72Å; A79-W81 HydrophobicContact CB-CZ3 3.41Å; A79-W81 VanDerWaalsContact CB-CZ3 3.41Å; A79-T99 CarbonylContact C-O 3.6Å; A79-T99 WeakPolarHBondContact CA-O 3.44Å; A79-M101 HydrophobicContact CB-CE 3.93Å; A79-M101 HydrophobicContact CB-CG 4.22Å; A79-W114 HydrophobicContact CB-CH2 3.98Å; A79-W114 HydrophobicContact CB-CZ2 3.81Å
80L92Very high71.5Confident0 Ų063 Ų630%029%0.29CS..EExtended strand (participates in β ladder)trans-114.2115.9179.3-173.8136.8000111.2R50 T54 F56 R62 T82 L94 W98 T99 L100 M101R50-L80 HydrophobicContact CG-CD1 4.19Å; T54-L80 HydrophobicContact CG2-CD1 3.87Å; F56-L80 HydrophobicContact CB-CD1 4.26Å; F56-L80 HydrophobicContact CD1-CD1 3.64Å; F56-L80 HydrophobicContact CD1-CD2 3.71Å; F56-L80 HydrophobicContact CD1-CG 4.34Å; F56-L80 HydrophobicContact CE1-CD1 4.47Å; F56-L80 HydrophobicContact CE1-CD2 3.89Å; F56-L80 HydrophobicContact CG-CD1 4.33Å; F56-L80 HydrophobicContact CG-CD2 4.45Å; R62-L80 WeakPolarHBondContact O-CA 3.45Å; L80-T82 HydrophobicContact CD2-CG2 4.23Å; L80-L94 HydrophobicContact CB-CD1 4.17Å; L80-L94 HydrophobicContact CD1-CD2 4.23Å; L80-L94 HydrophobicContact CD2-CD1 4.28Å; L80-W98 HydrophobicContact CB-CE3 4Å; L80-W98 HydrophobicContact CB-CZ3 4.23Å; L80-T99 PolarHBondContact N-O 3.46Å; L80-L100 HydrophobicContact CD2-CD1 4.17Å; L80-M101 PolarHBondContact O-N 2.89Å
81W92.2Very high74.2Confident6 Ų656.8 Ų56.82%0.02327%0.269CS..EExtended strand (participates in β ladder)trans-83.3135.3167.7-75.3-105.1000110.2G61 R62 I64 A79 M101 P109 L111 W114G61-W81 CarbonylContact C-O 3.39Å; G61-W81 WeakPolarHBondContact CA-O 3.49Å; R62-W81 HydrophobicContact CB-CB 4.5Å; R62-W81 PolarHBondContact N-O 3.47Å; R62-W81 PolarHBondContact O-N 2.9Å; I64-W81 HydrophobicContact CB-CZ3 4.4Å; I64-W81 HydrophobicContact CD1-CH2 3.88Å; I64-W81 HydrophobicContact CD1-CZ3 3.75Å; I64-W81 HydrophobicContact CG1-CH2 4.43Å; I64-W81 HydrophobicContact CG1-CZ3 3.8Å; A79-W81 HydrophobicContact CB-CE3 4.33Å; A79-W81 HydrophobicContact CB-CH2 3.72Å; A79-W81 HydrophobicContact CB-CZ3 3.41Å; A79-W81 VanDerWaalsContact CB-CZ3 3.41Å; W81-M101 VanDerWaalsContact CA-O 3.32Å; W81-M101 WeakPolarHBondContact CA-O 3.29Å; W81-M101 HydrophobicContact CB-CB 4.29Å; W81-M101 HydrophobicContact CD2-CB 3.5Å; W81-M101 HydrophobicContact CD2-CG 3.71Å; W81-M101 VanDerWaalsContact CE2-CB 3.46Å; W81-M101 VanDerWaalsContact CE2-CG 3.47Å; W81-M101 HydrophobicContact CE3-CB 4.18Å; W81-M101 HydrophobicContact CE3-CG 4Å; W81-M101 HydrophobicContact CG-CB 3.55Å; W81-M101 HydrophobicContact CG-CG 4.31Å; W81-M101 HydrophobicContact CH2-CE 3.95Å; W81-M101 HydrophobicContact CH2-CG 3.82Å; W81-M101 HydrophobicContact CZ2-CB 4.07Å; W81-M101 HydrophobicContact CZ2-CE 3.95Å; W81-M101 HydrophobicContact CZ2-CG 3.54Å; W81-M101 HydrophobicContact CZ2-SD 4.04Å; W81-M101 HydrophobicContact CZ3-CG 4.05Å; W81-P109 PolarHBondContact NE1-O 3.41Å; W81-L111 HydrophobicContact CD2-CD1 3.79Å; W81-L111 HydrophobicContact CE3-CD1 3.53Å; W81-L111 HydrophobicContact CG-CD1 4.49Å; W81-L111 HydrophobicContact CH2-CD1 4.13Å; W81-L111 HydrophobicContact CZ2-CD1 4.34Å; W81-L111 HydrophobicContact CZ3-CD1 3.72Å; W81-W114 HydrophobicContact CH2-CB 3.88Å; W81-W114 AromaticContact CH2-CD2 3.5Å; W81-W114 HydrophobicContact CH2-CD2 3.5Å; W81-W114 AromaticContact CH2-CE3 3.63Å; W81-W114 HydrophobicContact CH2-CE3 3.63Å; W81-W114 AromaticContact CH2-CG 3.63Å; W81-W114 HydrophobicContact CH2-CG 3.63Å; W81-W114 HydrophobicContact CH2-CZ3 4.3Å; W81-W114 HydrophobicContact CZ2-CB 3.56Å; W81-W114 HydrophobicContact CZ2-CD2 4.1Å; W81-W114 HydrophobicContact CZ2-CE3 4.5Å; W81-W114 AromaticContact CZ2-CG 3.7Å; W81-W114 HydrophobicContact CZ2-CG 3.7Å; W81-W114 HydrophobicContact CZ3-CE3 4.44Å
82T89.7Confident76.7Confident1 Ų150.5 Ų50.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-149.7169.8167.6-165.40000110.3R60 L80 Y86 Y87 A90 L100 M101 E103R60-T82 PolarHBondContact O-OG1 3.48Å; L80-T82 HydrophobicContact CD2-CG2 4.23Å; T82-Y86 VanDerWaalsContact OG1-CB 3.27Å; T82-Y86 WeakPolarHBondContact OG1-CB 3.34Å; T82-Y87 HydrophobicContact CG2-CD1 4.21Å; T82-Y87 WeakPolarHBondContact O-CE1 3.27Å; T82-A90 HydrophobicContact CG2-CB 4.07Å; T82-L100 HydrophobicContact CG2-CD1 3.85Å; T82-M101 PolarHBondContact N-O 3.25Å; T82-M101 VanDerWaalsContact N-O 3.12Å; T82-E103 VanDerWaalsContact O-CB 3.25Å; T82-E103 WeakPolarHBondContact O-CB 3.32Å; T82-E103 PolarHBondContact O-N 2.98Å
83V85Confident79.3Confident24 Ų2450.6 Ų50.615%0.14525%0.247CC..  trans-97.4168.1-175.7-68.40000112.2R60 I85 Y86 Y87R60-V83 HydrophobicContact CB-CG2 4.05Å; V83-I85 VanDerWaalsContact C-N 3.29Å; V83-I85 HydrophobicContact CG2-CD1 4.09Å; V83-I85 HydrophobicContact CG2-CG1 3.6Å; V83-I85 PolarHBondContact O-N 3.16Å; V83-I85 VanDerWaalsContact O-N 3.1Å; V83-Y86 HydrophobicContact CG2-CD2 4.11Å; V83-Y86 PolarHBondContact O-N 3.43Å; V83-Y87 VanDerWaalsContact O-CD1 3.29Å; V83-Y87 WeakPolarHBondContact O-CD1 3.03Å; V83-Y87 WeakPolarHBondContact O-CE1 3.24Å
84G83.4Confident81.8Confident16 Ų1641.9 Ų41.917%0.16521%0.21CC..G310 helixtrans-45.4-44-173.400000116.1Y86 Y87G84-Y86 PolarHBondContact O-N 3.07Å; G84-Y87 VanDerWaalsContact CA-CZ 3.47Å; G84-Y87 PolarHBondContact O-N 2.86Å
85I85.8Confident84.2Confident16 Ų1635.7 Ų35.78%0.08218%0.181CC..G310 helixtrans-57.2-17.7177.855.9166.7000114.8V83 I397 H398 H488V83-I85 VanDerWaalsContact C-N 3.29Å; V83-I85 HydrophobicContact CG2-CD1 4.09Å; V83-I85 HydrophobicContact CG2-CG1 3.6Å; V83-I85 PolarHBondContact O-N 3.16Å; V83-I85 VanDerWaalsContact O-N 3.1Å; I85-I397 HydrophobicContact CB-CB 4.23Å; I85-I397 HydrophobicContact CB-CD1 4.45Å; I85-I397 HydrophobicContact CB-CG2 4.18Å; I85-I397 HydrophobicContact CG2-CB 4.3Å; I85-I397 HydrophobicContact CG2-CD1 4.12Å; I85-I397 HydrophobicContact CG2-CG2 3.84Å; I85-H398 VanDerWaalsContact CD1-CE1 3.45Å; I85-H398 WeakPolarHBondContact CD1-CE1 3.34Å; I85-H488 HydrophobicContact CG2-CB 3.65Å
86Y89Confident86.1Confident3 Ų337.4 Ų37.41%0.01219%0.188CC..G310 helixtrans-118.90.7-175-69.9-53.4000114.8F56 G58 S59 R60 T82 V83 G84 L88 Q89 A90 H398F56-Y86 HydrophobicContact CE2-CD1 4.35Å; F56-Y86 HydrophobicContact CE2-CG 4.36Å; F56-Y86 HydrophobicContact CZ-CD1 4.18Å; F56-Y86 HydrophobicContact CZ-CD2 4.37Å; F56-Y86 AromaticContact CZ-CG 3.84Å; F56-Y86 HydrophobicContact CZ-CG 3.84Å; G58-Y86 VanDerWaalsContact CA-CE1 3.41Å; S59-Y86 PolarHBondContact N-OH 3.38Å; S59-Y86 PolarHBondContact OG-OH 2.99Å; R60-Y86 HydrophobicContact CB-CD2 4.14Å; R60-Y86 HydrophobicContact CB-CE2 3.99Å; R60-Y86 HydrophobicContact CG-CE2 4.29Å; T82-Y86 VanDerWaalsContact OG1-CB 3.27Å; T82-Y86 WeakPolarHBondContact OG1-CB 3.34Å; V83-Y86 HydrophobicContact CG2-CD2 4.11Å; V83-Y86 PolarHBondContact O-N 3.43Å; G84-Y86 PolarHBondContact O-N 3.07Å; Y86-L88 PolarHBondContact O-N 3.06Å; Y86-Q89 PolarHBondContact O-N 2.88Å; Y86-A90 VanDerWaalsContact O-CB 3.27Å; Y86-A90 WeakPolarHBondContact O-CB 3.43Å; Y86-A90 PolarHBondContact O-N 3.08Å; Y86-H398 HydrophobicContact CE1-CB 3.67Å; Y86-H398 AromaticContact CE1-ND1 3.98Å; Y86-H398 AromaticContact CZ-ND1 3.51Å; Y86-H398 PolarHBondContact OH-ND1 2.92Å
87Y89.7Confident87.2Confident41 Ų4135.2 Ų35.216%0.16118%0.177CC..Hα-helixtrans-56.3-50.7-177.4-67.1-12.8000112.6T82 V83 G84 A90 S91 K102 E103 L105T82-Y87 HydrophobicContact CG2-CD1 4.21Å; T82-Y87 WeakPolarHBondContact O-CE1 3.27Å; V83-Y87 VanDerWaalsContact O-CD1 3.29Å; V83-Y87 WeakPolarHBondContact O-CD1 3.03Å; V83-Y87 WeakPolarHBondContact O-CE1 3.24Å; G84-Y87 VanDerWaalsContact CA-CZ 3.47Å; G84-Y87 PolarHBondContact O-N 2.86Å; Y87-A90 PolarHBondContact O-N 2.97Å; Y87-S91 WeakPolarHBondContact O-CB 3.25Å; Y87-S91 PolarHBondContact O-N 2.88Å; Y87-K102 HydrophobicContact CD1-CB 3.97Å; Y87-K102 HydrophobicContact CD1-CD 4.34Å; Y87-K102 HydrophobicContact CD1-CG 3.77Å; Y87-K102 HydrophobicContact CD2-CB 4.45Å; Y87-K102 HydrophobicContact CD2-CD 4.03Å; Y87-K102 HydrophobicContact CD2-CG 4.3Å; Y87-K102 VanDerWaalsContact CE1-CA 3.47Å; Y87-K102 HydrophobicContact CE1-CB 3.52Å; Y87-K102 HydrophobicContact CE1-CG 3.89Å; Y87-K102 HydrophobicContact CE2-CB 4.06Å; Y87-K102 HydrophobicContact CE2-CD 4.31Å; Y87-K102 HydrophobicContact CE2-CG 4.41Å; Y87-K102 HydrophobicContact CG-CB 4.41Å; Y87-K102 HydrophobicContact CG-CD 4.04Å; Y87-K102 HydrophobicContact CG-CG 3.99Å; Y87-E103 PolarHBondContact OH-O 2.95Å; Y87-L105 HydrophobicContact CE2-CD1 4.35Å; Y87-L105 HydrophobicContact CE2-CD2 4.29Å; Y87-L105 HydrophobicContact CE2-CG 4.3Å
88L88.7Confident87.9Confident26 Ų2634.7 Ų34.714%0.13617%0.173CC..Hα-helixtrans-68.1-42-178.1-172.655.7000111Y86 S91 K92 I396Y86-L88 PolarHBondContact O-N 3.06Å; L88-S91 PolarHBondContact O-N 3.25Å; L88-S91 PolarHBondContact O-OG 3.19Å; L88-K92 WeakPolarHBondContact O-CG 3.25Å; L88-K92 PolarHBondContact O-N 3.42Å; L88-I396 HydrophobicContact CB-CG1 4.29Å; L88-I396 HydrophobicContact CD2-CG1 3.55Å; L88-I396 HydrophobicContact CG-CG1 3.81Å
89Q90.1Very high88.3Confident12 Ų1237.5 Ų37.56%0.05619%0.19CC..Hα-helixtrans-59.7-49.8175.4-178.9-179.6-15.200111.7F56 T57 Y86 S91 K92 Q93 I396F56-Q89 HydrophobicContact CD2-CG 4.39Å; F56-Q89 HydrophobicContact CE2-CB 4.42Å; F56-Q89 HydrophobicContact CE2-CG 4.06Å; T57-Q89 PolarHBondContact OG1-NE2 3.06Å; Y86-Q89 PolarHBondContact O-N 2.88Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 3.14Å; Q89-K92 PolarHBondContact O-N 3.18Å; Q89-K92 VanDerWaalsContact O-N 3.1Å; Q89-Q93 HydrophobicContact CG-CG 4.21Å; Q89-Q93 WeakPolarHBondContact O-CB 3.47Å; Q89-Q93 WeakPolarHBondContact O-CG 3.4Å; Q89-Q93 PolarHBondContact O-N 3.03Å; Q89-I396 HydrophobicContact CB-CG2 4.04Å
90A90.5Very high88.3Confident0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-62.3-40.3-179.300000111.3F56 T82 Y86 Y87 K92 Q93 L94 L100F56-A90 HydrophobicContact CD2-CB 3.89Å; F56-A90 HydrophobicContact CE2-CB 3.8Å; F56-A90 HydrophobicContact CG-CB 4.5Å; F56-A90 HydrophobicContact CZ-CB 4.34Å; T82-A90 HydrophobicContact CG2-CB 4.07Å; Y86-A90 VanDerWaalsContact O-CB 3.27Å; Y86-A90 WeakPolarHBondContact O-CB 3.43Å; Y86-A90 PolarHBondContact O-N 3.08Å; Y87-A90 PolarHBondContact O-N 2.97Å; A90-K92 PolarHBondContact O-N 3.02Å; A90-Q93 PolarHBondContact O-N 3.15Å; A90-L94 HydrophobicContact CB-CD1 4.15Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.17Å; A90-L94 PolarHBondContact O-N 2.77Å; A90-L100 HydrophobicContact CB-CD1 3.56Å; A90-L100 HydrophobicContact CB-CD2 3.94Å; A90-L100 HydrophobicContact CB-CG 4.4Å
91S90.7Very high88.3Confident68 Ų6840.3 Ų40.348%0.47620%0.204SC..Hα-helixtrans-62.1-26.1176.375.20000113.9Y87 L88 Q89Y87-S91 WeakPolarHBondContact O-CB 3.25Å; Y87-S91 PolarHBondContact O-N 2.88Å; L88-S91 PolarHBondContact O-N 3.25Å; L88-S91 PolarHBondContact O-OG 3.19Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 3.14Å
92K89.1Confident88.2Confident111 Ų11144 Ų4448%0.48322%0.221SC..Hα-helixtrans-90.1-32177.9-68.1-177.7-179.7-173.20113L88 Q89 A90 I396L88-K92 WeakPolarHBondContact O-CG 3.25Å; L88-K92 PolarHBondContact O-N 3.42Å; Q89-K92 PolarHBondContact O-N 3.18Å; Q89-K92 VanDerWaalsContact O-N 3.1Å; A90-K92 PolarHBondContact O-N 3.02Å; K92-I396 HydrophobicContact CD-CD1 4.22Å
93Q89.2Confident88.1Confident65 Ų6548 Ų4830%0.30424%0.239SC..Hα-helixtrans-92.4-31.3-174.2-71.2-174.8-24.700114F56 T57 Q89 A90F56-Q93 VanDerWaalsContact CD2-OE1 3.32Å; T57-Q93 PolarHBondContact OG1-NE2 3.3Å; T57-Q93 PolarHBondContact OG1-OE1 3.39Å; Q89-Q93 HydrophobicContact CG-CG 4.21Å; Q89-Q93 WeakPolarHBondContact O-CB 3.47Å; Q89-Q93 WeakPolarHBondContact O-CG 3.4Å; Q89-Q93 PolarHBondContact O-N 3.03Å; A90-Q93 PolarHBondContact O-N 3.15Å
94L88Confident87.9Confident24 Ų2450.4 Ų50.413%0.12627%0.269CS..SBendtrans-72.8139.5-179-70.6175.1000111.3F56 L80 A90 W98 L100F56-L94 HydrophobicContact CB-CD2 3.86Å; F56-L94 HydrophobicContact CB-CG 4.37Å; L80-L94 HydrophobicContact CB-CD1 4.17Å; L80-L94 HydrophobicContact CD1-CD2 4.23Å; L80-L94 HydrophobicContact CD2-CD1 4.28Å; A90-L94 HydrophobicContact CB-CD1 4.15Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.17Å; A90-L94 PolarHBondContact O-N 2.77Å; L94-W98 HydrophobicContact CB-CB 4.12Å; L94-W98 HydrophobicContact CD1-CB 4.28Å; L94-W98 HydrophobicContact CD2-CB 4.13Å; L94-W98 HydrophobicContact CD2-CD2 4.22Å; L94-W98 HydrophobicContact CD2-CE3 4.43Å; L94-W98 HydrophobicContact CD2-CG 4.03Å; L94-W98 HydrophobicContact CG-CB 4.42Å; L94-L100 HydrophobicContact CD1-CB 4.08Å; L94-L100 HydrophobicContact CD1-CD1 4.04Å
95H86.9Confident88.1Confident52 Ų5253.1 Ų53.124%0.24128%0.28CS..  trans-69.6153.8168.8-172.4-102.2000110.3G3 M6 D97 W98G3-H95 WeakPolarHBondContact CA-NE2 3.31Å; M6-H95 HydrophobicContact CE-CB 4.42Å; M6-H95 HydrophobicContact SD-CB 3.49Å; M6-H95 WeakPolarHBondContact SD-CB 3.22Å; H95-D97 IonicContact CE1-OD2 2.86Å; H95-D97 PolarHBondContact CE1-OD2 2.79Å; H95-D97 IonicContact ND1-OD2 3.18Å; H95-D97 PolarHBondContact ND1-OD2 2.97Å; H95-D97 PolarHBondContact O-N 3.41Å; H95-W98 WeakPolarHBondContact O-CB 3.17Å; H95-W98 PolarHBondContact O-N 3.18Å
96K84.8Confident88.2Confident178 Ų17858.8 Ų58.877%0.77432%0.32SS*.THydrogen-bonded Turntrans-58.3-18.3-17662.2171.7-175.6177.30116W98K96-W98 VanDerWaalsContact C-N 3.28Å
97D81.2Confident88.3Confident68 Ų6864.8 Ų64.836%0.36435%0.353SS..THydrogen-bonded Turntrans-84.8-8.3179-51.1-36.4000111.8M6 H95M6-D97 HydrophobicContact CE-CB 3.77Å; M6-D97 WeakPolarHBondContact CE-OD2 2.98Å; H95-D97 IonicContact CE1-OD2 2.86Å; H95-D97 PolarHBondContact CE1-OD2 2.79Å; H95-D97 IonicContact ND1-OD2 3.18Å; H95-D97 PolarHBondContact ND1-OD2 2.97Å; H95-D97 PolarHBondContact O-N 3.41Å
98W86.2Confident88.4Confident15 Ų1564.2 Ų64.26%0.05735%0.353CS..EExtended strand (participates in β ladder)trans-86.1134.1170.5-73.181.4000111M6 L10 T54 F63 A78 L80 L94 H95 K96M6-W98 PolarHBondContact SD-NE1 3.44Å; L10-W98 HydrophobicContact CD1-CZ2 4.47Å; L10-W98 HydrophobicContact CD2-CZ2 4.12Å; T54-W98 HydrophobicContact CG2-CD2 4.37Å; T54-W98 HydrophobicContact CG2-CE3 4.07Å; T54-W98 HydrophobicContact CG2-CH2 3.1Å; T54-W98 HydrophobicContact CG2-CZ2 3.49Å; T54-W98 VanDerWaalsContact CG2-CZ2 3.49Å; T54-W98 HydrophobicContact CG2-CZ3 3.35Å; F63-W98 HydrophobicContact CB-CH2 4.45Å; F63-W98 HydrophobicContact CB-CZ3 4.15Å; F63-W98 AromaticContact CD1-CH2 3.93Å; F63-W98 HydrophobicContact CD1-CH2 3.93Å; F63-W98 HydrophobicContact CD1-CZ3 4.37Å; F63-W98 AromaticContact CD2-CE3 3.98Å; F63-W98 HydrophobicContact CD2-CE3 3.98Å; F63-W98 AromaticContact CD2-CH2 3.19Å; F63-W98 HydrophobicContact CD2-CH2 3.19Å; F63-W98 HydrophobicContact CD2-CZ2 4.49Å; F63-W98 AromaticContact CD2-CZ3 2.89Å; F63-W98 HydrophobicContact CD2-CZ3 2.89Å; F63-W98 AromaticContact CE1-CH2 3.84Å; F63-W98 HydrophobicContact CE1-CH2 3.84Å; F63-W98 HydrophobicContact CE2-CE3 4.04Å; F63-W98 AromaticContact CE2-CH2 3.04Å; F63-W98 HydrophobicContact CE2-CH2 3.04Å; F63-W98 HydrophobicContact CE2-CZ2 4.07Å; F63-W98 AromaticContact CE2-CZ3 3.1Å; F63-W98 HydrophobicContact CE2-CZ3 3.1Å; F63-W98 AromaticContact CG-CH2 3.59Å; F63-W98 HydrophobicContact CG-CH2 3.59Å; F63-W98 AromaticContact CG-CZ3 3.57Å; F63-W98 HydrophobicContact CG-CZ3 3.57Å; F63-W98 AromaticContact CZ-CH2 3.39Å; F63-W98 HydrophobicContact CZ-CH2 3.39Å; F63-W98 HydrophobicContact CZ-CZ2 4.2Å; F63-W98 AromaticContact CZ-CZ3 3.96Å; F63-W98 HydrophobicContact CZ-CZ3 3.96Å; A78-W98 HydrophobicContact CB-CD2 4.04Å; A78-W98 HydrophobicContact CB-CE3 4.05Å; A78-W98 HydrophobicContact CB-CH2 4.27Å; A78-W98 HydrophobicContact CB-CZ2 4.26Å; A78-W98 HydrophobicContact CB-CZ3 4.25Å; A78-W98 CarbonylContact O-C 3.55Å; A78-W98 WeakPolarHBondContact O-CA 3.39Å; L80-W98 HydrophobicContact CB-CE3 4Å; L80-W98 HydrophobicContact CB-CZ3 4.23Å; L94-W98 HydrophobicContact CB-CB 4.12Å; L94-W98 HydrophobicContact CD1-CB 4.28Å; L94-W98 HydrophobicContact CD2-CB 4.13Å; L94-W98 HydrophobicContact CD2-CD2 4.22Å; L94-W98 HydrophobicContact CD2-CE3 4.43Å; L94-W98 HydrophobicContact CD2-CG 4.03Å; L94-W98 HydrophobicContact CG-CB 4.42Å; H95-W98 WeakPolarHBondContact O-CB 3.17Å; H95-W98 PolarHBondContact O-N 3.18Å; K96-W98 VanDerWaalsContact C-N 3.28Å
99T90Very high88.6Confident62 Ų6264.9 Ų64.938%0.3836%0.359SS..EExtended strand (participates in β ladder)trans-89.3113.8168.7-57.50000109.3A78 A79 L80 M101A78-T99 PolarHBondContact O-N 3.32Å; A79-T99 CarbonylContact C-O 3.6Å; A79-T99 WeakPolarHBondContact CA-O 3.44Å; L80-T99 PolarHBondContact N-O 3.46Å; T99-M101 HydrophobicContact CG2-CE 3.67Å; T99-M101 HydrophobicContact CG2-SD 4.11Å; T99-M101 PolarHBondContact O-N 3.21Å
100L91.5Very high88.6Confident41 Ų4166.3 Ų66.322%0.21537%0.371CS..EExtended strand (participates in β ladder)trans-78.7118.4173.2176.459000110.3L80 T82 A90 L94 K102L80-L100 HydrophobicContact CD2-CD1 4.17Å; T82-L100 HydrophobicContact CG2-CD1 3.85Å; A90-L100 HydrophobicContact CB-CD1 3.56Å; A90-L100 HydrophobicContact CB-CD2 3.94Å; A90-L100 HydrophobicContact CB-CG 4.4Å; L94-L100 HydrophobicContact CD1-CB 4.08Å; L94-L100 HydrophobicContact CD1-CD1 4.04Å; L100-K102 HydrophobicContact CD2-CG 4.44Å; L100-K102 HydrophobicContact CG-CG 4.25Å
101M92.9Very high88.6Confident18 Ų1867 Ų679%0.08937%0.374CS..EExtended strand (participates in β ladder)trans-101.9112.9175.9-59.2-71.7-168.400109.5A79 L80 W81 T82 T99 E103 T108 W114A79-M101 HydrophobicContact CB-CE 3.93Å; A79-M101 HydrophobicContact CB-CG 4.22Å; L80-M101 PolarHBondContact O-N 2.89Å; W81-M101 VanDerWaalsContact CA-O 3.32Å; W81-M101 WeakPolarHBondContact CA-O 3.29Å; W81-M101 HydrophobicContact CB-CB 4.29Å; W81-M101 HydrophobicContact CD2-CB 3.5Å; W81-M101 HydrophobicContact CD2-CG 3.71Å; W81-M101 VanDerWaalsContact CE2-CB 3.46Å; W81-M101 VanDerWaalsContact CE2-CG 3.47Å; W81-M101 HydrophobicContact CE3-CB 4.18Å; W81-M101 HydrophobicContact CE3-CG 4Å; W81-M101 HydrophobicContact CG-CB 3.55Å; W81-M101 HydrophobicContact CG-CG 4.31Å; W81-M101 HydrophobicContact CH2-CE 3.95Å; W81-M101 HydrophobicContact CH2-CG 3.82Å; W81-M101 HydrophobicContact CZ2-CB 4.07Å; W81-M101 HydrophobicContact CZ2-CE 3.95Å; W81-M101 HydrophobicContact CZ2-CG 3.54Å; W81-M101 HydrophobicContact CZ2-SD 4.04Å; W81-M101 HydrophobicContact CZ3-CG 4.05Å; T82-M101 PolarHBondContact N-O 3.25Å; T82-M101 VanDerWaalsContact N-O 3.12Å; T99-M101 HydrophobicContact CG2-CE 3.67Å; T99-M101 HydrophobicContact CG2-SD 4.11Å; T99-M101 PolarHBondContact O-N 3.21Å; M101-E103 PolarHBondContact O-N 2.98Å; M101-T108 HydrophobicContact CB-CG2 4.05Å; M101-W114 HydrophobicContact CE-CD2 4.29Å; M101-W114 HydrophobicContact CE-CG 3.99Å; M101-W114 HydrophobicContact CE-CZ2 4.46Å
102K90.5Very high88.7Confident83 Ų8364.4 Ų64.436%0.36136%0.356SS..EExtended strand (participates in β ladder)trans-89.590.8-174.1-68.1-176.8-176.6178.40111.1Y87 L100 G104 L105 T108Y87-K102 HydrophobicContact CD1-CB 3.97Å; Y87-K102 HydrophobicContact CD1-CD 4.34Å; Y87-K102 HydrophobicContact CD1-CG 3.77Å; Y87-K102 HydrophobicContact CD2-CB 4.45Å; Y87-K102 HydrophobicContact CD2-CD 4.03Å; Y87-K102 HydrophobicContact CD2-CG 4.3Å; Y87-K102 VanDerWaalsContact CE1-CA 3.47Å; Y87-K102 HydrophobicContact CE1-CB 3.52Å; Y87-K102 HydrophobicContact CE1-CG 3.89Å; Y87-K102 HydrophobicContact CE2-CB 4.06Å; Y87-K102 HydrophobicContact CE2-CD 4.31Å; Y87-K102 HydrophobicContact CE2-CG 4.41Å; Y87-K102 HydrophobicContact CG-CB 4.41Å; Y87-K102 HydrophobicContact CG-CD 4.04Å; Y87-K102 HydrophobicContact CG-CG 3.99Å; L100-K102 HydrophobicContact CD2-CG 4.44Å; L100-K102 HydrophobicContact CG-CG 4.25Å; K102-G104 PolarHBondContact O-N 3.36Å; K102-L105 HydrophobicContact CB-CD1 3.64Å; K102-L105 HydrophobicContact CB-CG 4.1Å; K102-L105 HydrophobicContact CD-CD1 3.86Å; K102-L105 HydrophobicContact CG-CD1 4.42Å; K102-L105 PolarHBondContact O-N 3.15Å; K102-T108 WeakPolarHBondContact O-CB 3.42Å; K102-T108 WeakPolarHBondContact O-CG2 3.29Å; K102-T108 PolarHBondContact O-OG1 2.75Å
103E86.3Confident88.9Confident84 Ų8464.2 Ų64.239%0.39336%0.357SS..THydrogen-bonded Turntrans-64124.8-172-174.1175-167.300113.1T82 Y87 M101T82-E103 VanDerWaalsContact O-CB 3.25Å; T82-E103 WeakPolarHBondContact O-CB 3.32Å; T82-E103 PolarHBondContact O-N 2.98Å; Y87-E103 PolarHBondContact OH-O 2.95Å; M101-E103 PolarHBondContact O-N 2.98Å
104G82.1Confident89Confident76 Ų7662 Ų6278%0.78435%0.346SS*.THydrogen-bonded Turntrans103.8-7.2179.200000114.2K102K102-G104 PolarHBondContact O-N 3.36Å
105L86.9Confident89.2Confident73 Ų7360.9 Ų60.938%0.38234%0.34SS..SBendtrans-78.4146.5164.4-54.4-175.2000110.1Y87 K102 D107 T108Y87-L105 HydrophobicContact CE2-CD1 4.35Å; Y87-L105 HydrophobicContact CE2-CD2 4.29Å; Y87-L105 HydrophobicContact CE2-CG 4.3Å; K102-L105 HydrophobicContact CB-CD1 3.64Å; K102-L105 HydrophobicContact CB-CG 4.1Å; K102-L105 HydrophobicContact CD-CD1 3.86Å; K102-L105 HydrophobicContact CG-CD1 4.42Å; K102-L105 PolarHBondContact O-N 3.15Å; L105-D107 VanDerWaalsContact CB-OD1 3.23Å; L105-D107 WeakPolarHBondContact CB-OD1 3.39Å; L105-D107 PolarHBondContact O-N 3.44Å; L105-T108 PolarHBondContact O-N 2.99Å
106S88.2Confident89.5Confident134 Ų13459.7 Ų59.794%0.93734%0.34SS*.THydrogen-bonded Turntrans-68.3-22.2-175.350.40000114
107D91Very high89.8Confident129 Ų12957.3 Ų57.369%0.6934%0.335SS*.THydrogen-bonded Turntrans-94.4-11.3179.361.7-29.4000113.5L105L105-D107 VanDerWaalsContact CB-OD1 3.23Å; L105-D107 WeakPolarHBondContact CB-OD1 3.39Å; L105-D107 PolarHBondContact O-N 3.44Å
108T91.4Very high90.2Very high29 Ų2957.3 Ų57.318%0.17833%0.333CS..SBendtrans-85119.8176.3-58.90000110.1M101 K102 L105M101-T108 HydrophobicContact CB-CG2 4.05Å; K102-T108 WeakPolarHBondContact O-CB 3.42Å; K102-T108 WeakPolarHBondContact O-CG2 3.29Å; K102-T108 PolarHBondContact O-OG1 2.75Å; L105-T108 PolarHBondContact O-N 2.99Å
109P92.5Very high90.4Very high40 Ų4057.4 Ų57.426%0.2634%0.335SS..PPolyproline II helixtrans-65.6145.5174.828.2-34.2000111.1W81 E113 W114W81-P109 PolarHBondContact NE1-O 3.41Å; P109-E113 HydrophobicContact CB-CB 4.12Å; P109-W114 HydrophobicContact CB-CB 4.36Å; P109-W114 HydrophobicContact CG-CB 4.21Å
110S90.7Very high90.5Very high43 Ų4359 Ų5930%0.30134%0.337SS..PPolyproline II helixtrans-63159.3166.866.50000111S112 E113 W114S110-S112 PolarHBondContact O-N 2.72Å; S110-S112 PolarHBondContact OG-OG 3.07Å; S110-E113 VanDerWaalsContact CB-OE2 3.3Å; S110-E113 WeakPolarHBondContact CB-OE2 3.5Å; S110-E113 PolarHBondContact N-OE2 2.8Å; S110-E113 PolarHBondContact O-N 2.85Å; S110-E113 VanDerWaalsContact O-N 3.07Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.26Å; S110-E113 PolarHBondContact OG-N 3.49Å; S110-E113 PolarHBondContact OG-OE2 3.42Å; S110-W114 PolarHBondContact O-N 2.79Å
111L90.4Very high90.6Very high14 Ų1464.6 Ų64.67%0.07336%0.362CS..Hα-helixtrans-49.9-45.2177.3-166.380.4000112.5I31 I64 W81 L115 F136 L140I31-L111 HydrophobicContact CD1-CD2 4.15Å; I64-L111 HydrophobicContact CD1-CD1 3.19Å; I64-L111 HydrophobicContact CD1-CG 3.65Å; I64-L111 HydrophobicContact CG1-CD1 3.52Å; I64-L111 HydrophobicContact CG1-CG 4.33Å; W81-L111 HydrophobicContact CD2-CD1 3.79Å; W81-L111 HydrophobicContact CE3-CD1 3.53Å; W81-L111 HydrophobicContact CG-CD1 4.49Å; W81-L111 HydrophobicContact CH2-CD1 4.13Å; W81-L111 HydrophobicContact CZ2-CD1 4.34Å; W81-L111 HydrophobicContact CZ3-CD1 3.72Å; L111-L115 HydrophobicContact CG-CD1 4.38Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.49Å; L111-F136 HydrophobicContact CD2-CE2 4.29Å; L111-F136 HydrophobicContact CD2-CZ 3.84Å; L111-L140 HydrophobicContact CD2-CD1 4.15Å; L111-L140 HydrophobicContact CD2-CD2 3.84Å
112S93Very high90.7Very high14 Ų1465.8 Ų65.810%0.09838%0.378CS..Hα-helixtrans-68.1-38.9179.846.20000113.2S110 A116 K143S110-S112 PolarHBondContact O-N 2.72Å; S110-S112 PolarHBondContact OG-OG 3.07Å; S112-A116 VanDerWaalsContact O-CB 3.27Å; S112-A116 WeakPolarHBondContact O-CB 3.32Å; S112-A116 PolarHBondContact O-N 2.84Å; S112-K143 WeakPolarHBondContact OG-CD 3.47Å
113E93.6Very high90.9Very high106 Ų10661.9 Ų61.950%0.49536%0.361SS..Hα-helixtrans-68.9-40.9178.6-73.1161.2155.400110.6P109 S110 A116 N117P109-E113 HydrophobicContact CB-CB 4.12Å; S110-E113 VanDerWaalsContact CB-OE2 3.3Å; S110-E113 WeakPolarHBondContact CB-OE2 3.5Å; S110-E113 PolarHBondContact N-OE2 2.8Å; S110-E113 PolarHBondContact O-N 2.85Å; S110-E113 VanDerWaalsContact O-N 3.07Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.26Å; S110-E113 PolarHBondContact OG-N 3.49Å; S110-E113 PolarHBondContact OG-OE2 3.42Å; E113-A116 PolarHBondContact O-N 3.12Å; E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 VanDerWaalsContact O-N 3.11Å; E113-N117 PolarHBondContact O-ND2 2.92Å; E113-N117 VanDerWaalsContact O-ND2 3.15Å
114W92Very high91.4Very high19 Ų1958.3 Ų58.37%0.07235%0.345CS..Hα-helixtrans-63.9-49.4176.2-172.982.8000111.6I64 D66 N77 A79 W81 M101 P109 S110 A116 N117 E118I64-W114 HydrophobicContact CB-CH2 4.48Å; I64-W114 HydrophobicContact CB-CZ3 3.81Å; I64-W114 HydrophobicContact CD1-CE3 3.61Å; I64-W114 HydrophobicContact CD1-CZ3 3.75Å; I64-W114 HydrophobicContact CG1-CZ3 4.34Å; I64-W114 HydrophobicContact CG2-CZ3 3.81Å; D66-W114 HydrophobicContact CB-CH2 4.16Å; D66-W114 HydrophobicContact CB-CZ3 4.28Å; D66-W114 WeakPolarHBondContact OD1-CH2 2.97Å; N77-W114 HydrophobicContact CB-CZ2 4.46Å; A79-W114 HydrophobicContact CB-CH2 3.98Å; A79-W114 HydrophobicContact CB-CZ2 3.81Å; W81-W114 HydrophobicContact CH2-CB 3.88Å; W81-W114 AromaticContact CH2-CD2 3.5Å; W81-W114 HydrophobicContact CH2-CD2 3.5Å; W81-W114 AromaticContact CH2-CE3 3.63Å; W81-W114 HydrophobicContact CH2-CE3 3.63Å; W81-W114 AromaticContact CH2-CG 3.63Å; W81-W114 HydrophobicContact CH2-CG 3.63Å; W81-W114 HydrophobicContact CH2-CZ3 4.3Å; W81-W114 HydrophobicContact CZ2-CB 3.56Å; W81-W114 HydrophobicContact CZ2-CD2 4.1Å; W81-W114 HydrophobicContact CZ2-CE3 4.5Å; W81-W114 AromaticContact CZ2-CG 3.7Å; W81-W114 HydrophobicContact CZ2-CG 3.7Å; W81-W114 HydrophobicContact CZ3-CE3 4.44Å; M101-W114 HydrophobicContact CE-CD2 4.29Å; M101-W114 HydrophobicContact CE-CG 3.99Å; M101-W114 HydrophobicContact CE-CZ2 4.46Å; P109-W114 HydrophobicContact CB-CB 4.36Å; P109-W114 HydrophobicContact CG-CB 4.21Å; S110-W114 PolarHBondContact O-N 2.79Å; W114-A116 VanDerWaalsContact C-N 3.29Å; W114-A116 PolarHBondContact O-N 3.27Å; W114-N117 PolarHBondContact O-N 2.9Å; W114-E118 HydrophobicContact CD2-CG 3.77Å; W114-E118 VanDerWaalsContact CE2-CG 3.49Å; W114-E118 HydrophobicContact CE3-CG 4.13Å; W114-E118 HydrophobicContact CG-CG 4.34Å; W114-E118 HydrophobicContact CH2-CG 4.12Å; W114-E118 HydrophobicContact CZ2-CG 3.71Å; W114-E118 HydrophobicContact CZ3-CG 4.28Å; W114-E118 WeakPolarHBondContact O-CG 3.4Å; W114-E118 PolarHBondContact O-N 3.37Å
115L92.1Very high92.1Very high0 Ų054.7 Ų54.70%031%0.308CS..Hα-helixtrans-56.4-42.8175.3-77.9171000112.6A29 I31 I64 L111 N117 E118 L119 V125 L144A29-L115 HydrophobicContact CB-CD2 4.21Å; I31-L115 HydrophobicContact CD1-CD1 4.37Å; I64-L115 HydrophobicContact CD1-CD1 3.82Å; I64-L115 HydrophobicContact CD1-CD2 3.54Å; I64-L115 HydrophobicContact CD1-CG 3.42Å; I64-L115 VanDerWaalsContact CD1-CG 3.42Å; I64-L115 HydrophobicContact CG1-CD2 4.48Å; I64-L115 HydrophobicContact CG2-CD2 3.71Å; L111-L115 HydrophobicContact CG-CD1 4.38Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.49Å; L115-N117 PolarHBondContact O-N 3.03Å; L115-E118 PolarHBondContact O-N 2.88Å; L115-L119 HydrophobicContact CD2-CD1 3.73Å; L115-L119 HydrophobicContact CD2-CG 4.34Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.48Å; L115-V125 HydrophobicContact CD1-CG1 4.46Å; L115-V125 HydrophobicContact CD2-CG2 4.4Å; L115-L144 HydrophobicContact CB-CD2 3.65Å; L115-L144 HydrophobicContact CD1-CD1 3.95Å; L115-L144 HydrophobicContact CD1-CD2 3.79Å; L115-L144 HydrophobicContact CD1-CG 4.46Å; L115-L144 HydrophobicContact CG-CD2 4.38Å
116A92.5Very high92.5Very high28 Ų2851.2 Ų51.223%0.23129%0.29CS..Hα-helixtrans-65.3-26.1178.200000113.5S112 E113 W114 S147S112-A116 VanDerWaalsContact O-CB 3.27Å; S112-A116 WeakPolarHBondContact O-CB 3.32Å; S112-A116 PolarHBondContact O-N 2.84Å; E113-A116 PolarHBondContact O-N 3.12Å; W114-A116 VanDerWaalsContact C-N 3.29Å; W114-A116 PolarHBondContact O-N 3.27Å; A116-S147 WeakPolarHBondContact CB-OG 3.27Å
117N91.7Very high92.9Very high127 Ų12744.8 Ų44.868%0.67925%0.245SC*.Hα-helixtrans-86-34.2178-70.6-26000112.6E113 W114 L115E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 VanDerWaalsContact O-N 3.11Å; E113-N117 PolarHBondContact O-ND2 2.92Å; E113-N117 VanDerWaalsContact O-ND2 3.15Å; W114-N117 PolarHBondContact O-N 2.9Å; L115-N117 PolarHBondContact O-N 3.03Å
118E87.8Confident93.1Very high69 Ų6939 Ų3932%0.32221%0.214SC..Hα-helixtrans-88.4-31.8-176.9-61.1-58.914000113.2N77 W114 L115N77-E118 PolarHBondContact ND2-OE2 3.16Å; W114-E118 HydrophobicContact CD2-CG 3.77Å; W114-E118 VanDerWaalsContact CE2-CG 3.49Å; W114-E118 HydrophobicContact CE3-CG 4.13Å; W114-E118 HydrophobicContact CG-CG 4.34Å; W114-E118 HydrophobicContact CH2-CG 4.12Å; W114-E118 HydrophobicContact CZ2-CG 3.71Å; W114-E118 HydrophobicContact CZ3-CG 4.28Å; W114-E118 WeakPolarHBondContact O-CG 3.4Å; W114-E118 PolarHBondContact O-N 3.37Å; L115-E118 PolarHBondContact O-N 2.88Å
119L91.2Very high93.4Very high17 Ų1738 Ų389%0.08921%0.208CC..SBendtrans-95.9159.7-176.6-60.1-177.6000112.9D28 A29 D66 L115 V125 I149D28-L119 HydrophobicContact CB-CD2 4.27Å; A29-L119 HydrophobicContact CB-CD1 4Å; A29-L119 HydrophobicContact CB-CD2 4.44Å; D66-L119 HydrophobicContact CB-CD2 4.09Å; L115-L119 HydrophobicContact CD2-CD1 3.73Å; L115-L119 HydrophobicContact CD2-CG 4.34Å; L115-L119 VanDerWaalsContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.48Å; L119-V125 HydrophobicContact CD1-CG2 3.61Å; L119-I149 HydrophobicContact CB-CD1 3.89Å; L119-I149 HydrophobicContact CD1-CD1 4.5Å; L119-I149 HydrophobicContact CD1-CG2 4.46Å
120F91.6Very high93.6Very high96 Ų9639.8 Ų39.842%0.42121%0.21SC..PPolyproline II helixtrans-91.5159.8178.359.8-88.5000111.7D28 Y68 G122 S123D28-F120 WeakPolarHBondContact OD1-CZ 3.46Å; Y68-F120 VanDerWaalsContact O-CE1 3.26Å; Y68-F120 WeakPolarHBondContact O-CE1 3.25Å; F120-G122 PolarHBondContact O-N 2.76Å; F120-S123 WeakPolarHBondContact CD1-OG 3.35Å; F120-S123 WeakPolarHBondContact CD2-OG 3.5Å; F120-S123 WeakPolarHBondContact CE1-OG 3.3Å; F120-S123 WeakPolarHBondContact CE2-OG 3.49Å; F120-S123 VanDerWaalsContact CG-OG 3.28Å; F120-S123 WeakPolarHBondContact CG-OG 3.19Å; F120-S123 VanDerWaalsContact CZ-OG 3.3Å; F120-S123 WeakPolarHBondContact CZ-OG 3.47Å; F120-S123 PolarHBondContact N-OG 3.37Å; F120-S123 VanDerWaalsContact O-CB 3.3Å; F120-S123 WeakPolarHBondContact O-CB 3.49Å; F120-S123 PolarHBondContact O-N 3.37Å; F120-S123 PolarHBondContact O-OG 3.05Å
121E93.7Very high93.7Very high158 Ų15838.3 Ų38.374%0.73820%0.199SC*.THydrogen-bonded Turntrans-59.5128.1173.1-69-174.3177.700110.6
122G95.2Very high93.8Very high43 Ų4337.9 Ų37.944%0.44320%0.198SC..THydrogen-bonded Turntrans93.9-3.8-175.500000114.5F120 S148F120-G122 PolarHBondContact O-N 2.76Å; G122-S148 VanDerWaalsContact CA-O 3.29Å; G122-S148 WeakPolarHBondContact CA-O 3.39Å; G122-S148 PolarHBondContact N-O 3.48Å
123S95.9Very high93.7Very high0 Ų038.1 Ų38.10%020%0.199CC..  trans-59.6150.7175.3-67.90000112.9D28 F120 R150D28-S123 WeakPolarHBondContact OD2-CA 3.26Å; D28-S123 WeakPolarHBondContact OD2-CB 3.5Å; F120-S123 WeakPolarHBondContact CD1-OG 3.35Å; F120-S123 WeakPolarHBondContact CD2-OG 3.5Å; F120-S123 WeakPolarHBondContact CE1-OG 3.3Å; F120-S123 WeakPolarHBondContact CE2-OG 3.49Å; F120-S123 VanDerWaalsContact CG-OG 3.28Å; F120-S123 WeakPolarHBondContact CG-OG 3.19Å; F120-S123 VanDerWaalsContact CZ-OG 3.3Å; F120-S123 WeakPolarHBondContact CZ-OG 3.47Å; F120-S123 PolarHBondContact N-OG 3.37Å; F120-S123 VanDerWaalsContact O-CB 3.3Å; F120-S123 WeakPolarHBondContact O-CB 3.49Å; F120-S123 PolarHBondContact O-N 3.37Å; F120-S123 PolarHBondContact O-OG 3.05Å; S123-R150 PolarHBondContact O-N 3.46Å
124V96.4Very high93.7Very high9 Ų933.2 Ų33.26%0.05518%0.176CC..EExtended strand (participates in β ladder)trans-112.9122-179.7-174.80000110.4E25 L27 D28 A29 I152E25-V124 HydrophobicContact CG-CG1 4.03Å; E25-V124 VanDerWaalsContact OE1-CG1 3.26Å; E25-V124 WeakPolarHBondContact OE1-CG1 3.3Å; L27-V124 HydrophobicContact CD2-CG1 3.79Å; D28-V124 PolarHBondContact N-O 2.84Å; D28-V124 PolarHBondContact OD2-N 3.06Å; A29-V124 PolarHBondContact N-O 3.08Å; V124-I152 HydrophobicContact CG1-CD1 3.66Å; V124-I152 HydrophobicContact CG1-CG1 3.88Å; V124-I152 HydrophobicContact CG1-CG2 4.15Å
125V96.3Very high93.5Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-107.7124.6176.5-174.30000108.8A29 I31 L115 L119 L144 I149 R150 L151 I152A29-V125 HydrophobicContact CB-CG1 4.31Å; A29-V125 HydrophobicContact CB-CG2 4.26Å; A29-V125 WeakPolarHBondContact O-CA 3.31Å; I31-V125 HydrophobicContact CD1-CG1 3.67Å; I31-V125 HydrophobicContact CG1-CG1 3.81Å; L115-V125 HydrophobicContact CD1-CG1 4.46Å; L115-V125 HydrophobicContact CD2-CG2 4.4Å; L119-V125 HydrophobicContact CD1-CG2 3.61Å; V125-L144 HydrophobicContact CG2-CD1 4.41Å; V125-I149 HydrophobicContact CG2-CG2 3.55Å; V125-R150 PolarHBondContact N-O 3.13Å; V125-L151 HydrophobicContact CB-CD1 4.03Å; V125-L151 HydrophobicContact CG1-CD1 3.82Å; V125-L151 CarbonylContact O-C 3.55Å; V125-L151 WeakPolarHBondContact O-CA 3.5Å; V125-I152 PolarHBondContact O-N 2.81Å
126G96.3Very high93.5Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-97.4147.6176.200000112.8A29 Y30 I31A29-G126 PolarHBondContact O-N 2.87Å; Y30-G126 WeakPolarHBondContact CA-O 3.22Å; Y30-G126 VanDerWaalsContact CD2-C 3.5Å; Y30-G126 WeakPolarHBondContact CD2-O 3.48Å; I31-G126 PolarHBondContact N-O 3.41Å
127I95.6Very high93.6Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-147.6143169.1-171.1169.5000109.8I31 P33 P129 C132 F136 F137 L151 I152 P153 V154I31-I127 HydrophobicContact CB-CB 4.24Å; I31-I127 HydrophobicContact CB-CD1 4.05Å; I31-I127 HydrophobicContact CB-CG1 4.13Å; I31-I127 HydrophobicContact CG2-CD1 3.83Å; I31-I127 HydrophobicContact CG2-CG1 4.34Å; P33-I127 HydrophobicContact CG-CD1 3.93Å; P33-I127 HydrophobicContact CG-CG1 4.31Å; I127-P129 WeakPolarHBondContact O-CD 3.44Å; I127-C132 HydrophobicContact CD1-CB 3.58Å; I127-C132 HydrophobicContact CG1-CB 4.21Å; I127-F136 HydrophobicContact CD1-CD1 4.41Å; I127-F136 HydrophobicContact CD1-CE1 3.77Å; I127-F137 HydrophobicContact CG2-CD2 3.61Å; I127-F137 HydrophobicContact CG2-CE2 3.42Å; I127-F137 VanDerWaalsContact CG2-CE2 3.42Å; I127-L151 HydrophobicContact CB-CD1 4.32Å; I127-L151 HydrophobicContact CG2-CD1 3.83Å; I127-L151 HydrophobicContact CG2-CD2 4.37Å; I127-L151 HydrophobicContact CG2-CG 4.13Å; I127-I152 PolarHBondContact N-O 3.36Å; I127-I152 VanDerWaalsContact N-O 3.12Å; I127-P153 WeakPolarHBondContact O-CA 3.46Å; I127-V154 PolarHBondContact O-N 3.38Å
128D95.8Very high93.7Very high8 Ų831 Ų314%0.04316%0.16CC..  trans-70117.9172.1171.8-2.6000110.3Y130 V131 C132 V154 N157D128-Y130 PolarHBondContact O-N 3Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.34Å; D128-Y130 PolarHBondContact OD1-N 2.81Å; D128-V131 HydrophobicContact CB-CG2 3.66Å; D128-V131 PolarHBondContact O-N 3.49Å; D128-C132 PolarHBondContact O-SG 3.37Å; D128-V154 WeakPolarHBondContact CA-O 3.27Å; D128-N157 WeakPolarHBondContact OD2-CB 3.37Å; D128-N157 PolarHBondContact OD2-ND2 3.31Å
129P96.8Very high94Very high7 Ų731.3 Ų31.35%0.04517%0.165CC..THydrogen-bonded Turntrans-71.4-14.6-174.833.5-38.6000113.6I127 P153 V154 Y298 A299I127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-P153 HydrophobicContact CB-CB 3.83Å; P129-P153 HydrophobicContact CG-CB 3.92Å; P129-V154 WeakPolarHBondContact CD-O 3.26Å; P129-Y298 HydrophobicContact CB-CD1 4Å; P129-Y298 PolarHBondContact O-N 3.27Å; P129-A299 HydrophobicContact CB-CB 3.95Å; P129-A299 HydrophobicContact CG-CB 4.1Å; P129-A299 PolarHBondContact O-N 3.01Å
130Y96.8Very high94.2Very high77 Ų7730.7 Ų30.730%0.30216%0.161SC..THydrogen-bonded Turntrans-80.5-29.9175.7-74.1-82.8000112A37 D128 N297 A299A37-Y130 VanDerWaalsContact CA-O 3.27Å; A37-Y130 WeakPolarHBondContact CA-O 3.36Å; D128-Y130 PolarHBondContact O-N 3Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.34Å; D128-Y130 PolarHBondContact OD1-N 2.81Å; Y130-N297 WeakPolarHBondContact O-CB 3.13Å; Y130-A299 HydrophobicContact CD1-CB 3.74Å; Y130-A299 HydrophobicContact CD2-CB 3.95Å; Y130-A299 HydrophobicContact CE1-CB 3.62Å; Y130-A299 HydrophobicContact CE2-CB 3.84Å; Y130-A299 HydrophobicContact CG-CB 3.9Å
131V94.1Very high94.5Very high12 Ų1228 Ų287%0.07315%0.154CC..SBendtrans-104.720.6-175.7-590000113.7P33 D128P33-V131 WeakPolarHBondContact CB-O 3.36Å; P33-V131 HydrophobicContact CG-CG2 4.39Å; P33-V131 WeakPolarHBondContact CG-O 3.46Å; D128-V131 HydrophobicContact CB-CG2 3.66Å; D128-V131 PolarHBondContact O-N 3.49Å
132C91.7Very high94.7Very high6 Ų623.8 Ų23.84%0.04114%0.143CC..SBendtrans-134.7136.2171.763.50000110.8P33 I127 D128 F136 N297 Y298P33-C132 HydrophobicContact CG-CB 4.31Å; I127-C132 HydrophobicContact CD1-CB 3.58Å; I127-C132 HydrophobicContact CG1-CB 4.21Å; D128-C132 PolarHBondContact O-SG 3.37Å; C132-F136 HydrophobicContact CB-CD1 4.06Å; C132-N297 CarbonylContact O-C 3.44Å; C132-N297 VanDerWaalsContact O-CA 3.23Å; C132-N297 WeakPolarHBondContact O-CA 3.16Å; C132-Y298 PolarHBondContact O-N 3.24Å
133S91.3Very high94.7Very high18 Ų1825.6 Ų25.613%0.12614%0.138CC..BIsolated β-bridgetrans-69.5151.6178.259.80000111.3D135 F136 F137S133-D135 VanDerWaalsContact C-N 3.3Å; S133-D135 WeakPolarHBondContact CB-OD1 3.33Å; S133-D135 PolarHBondContact O-N 3.02Å; S133-D135 PolarHBondContact OG-OD1 3.42Å; S133-F136 PolarHBondContact O-N 2.95Å; S133-F136 WeakPolarHBondContact OG-CB 3.38Å; S133-F137 PolarHBondContact O-N 3.27Å
134S92.3Very high94.8Very high3 Ų325.6 Ų25.62%0.02114%0.138CC..Hα-helixtrans-60.8-39.5-176.268.80000113.1F137 L138 P294 T296 Y301S134-F137 PolarHBondContact O-N 2.88Å; S134-L138 WeakPolarHBondContact O-CB 3.49Å; S134-L138 WeakPolarHBondContact O-CG 3.49Å; S134-L138 PolarHBondContact O-N 2.8Å; S134-P294 PolarHBondContact OG-O 3.49Å; S134-T296 WeakPolarHBondContact CB-O 3.42Å; S134-T296 PolarHBondContact N-O 3.44Å; S134-Y301 WeakPolarHBondContact OG-CD2 3.46Å
135D89.4Confident94.8Very high34 Ų3428.1 Ų28.118%0.18216%0.16CC..Hα-helixtrans-64.9-41.7178.872.5-44.5000112.3S133 D139 R512S133-D135 VanDerWaalsContact C-N 3.3Å; S133-D135 WeakPolarHBondContact CB-OD1 3.33Å; S133-D135 PolarHBondContact O-N 3.02Å; S133-D135 PolarHBondContact OG-OD1 3.42Å; D135-D139 VanDerWaalsContact O-CB 3.28Å; D135-D139 WeakPolarHBondContact O-CB 3.22Å; D135-D139 PolarHBondContact O-N 3.41Å; D135-R512 IonicContact OD2-CZ 2.73Å; D135-R512 IonicContact OD2-NH1 3.45Å; D135-R512 PolarHBondContact OD2-NH1 3.2Å; D135-R512 IonicContact OD2-NH2 3.42Å; D135-R512 PolarHBondContact OD2-NH2 3.49Å
136F90.4Very high94.9Very high18 Ų1836.1 Ų36.18%0.07920%0.195CC..Hα-helixtrans-66-46.5176.7171.4-103.2000110.8R62 L111 I127 C132 S133 L138 L140R62-F136 VanDerWaalsContact NH2-CD2 3.31Å; L111-F136 HydrophobicContact CD2-CE2 4.29Å; L111-F136 HydrophobicContact CD2-CZ 3.84Å; I127-F136 HydrophobicContact CD1-CD1 4.41Å; I127-F136 HydrophobicContact CD1-CE1 3.77Å; C132-F136 HydrophobicContact CB-CD1 4.06Å; S133-F136 PolarHBondContact O-N 2.95Å; S133-F136 WeakPolarHBondContact OG-CB 3.38Å; F136-L138 PolarHBondContact O-N 2.9Å; F136-L140 HydrophobicContact CE1-CD2 4.1Å; F136-L140 HydrophobicContact CE2-CD2 4.43Å; F136-L140 HydrophobicContact CZ-CD2 3.79Å; F136-L140 VanDerWaalsContact O-CB 3.24Å; F136-L140 WeakPolarHBondContact O-CB 3.33Å; F136-L140 PolarHBondContact O-N 2.98Å
137F95Very high94.9Very high4 Ų438.1 Ų38.12%0.01821%0.208CC..Hα-helixtrans-60.1-46.9178.8-173.3-78.1000111.2I127 S133 S134 S141 L151 Y298I127-F137 HydrophobicContact CG2-CD2 3.61Å; I127-F137 HydrophobicContact CG2-CE2 3.42Å; I127-F137 VanDerWaalsContact CG2-CE2 3.42Å; S133-F137 PolarHBondContact O-N 3.27Å; S134-F137 PolarHBondContact O-N 2.88Å; F137-S141 WeakPolarHBondContact O-CB 3.49Å; F137-S141 PolarHBondContact O-N 2.69Å; F137-L151 HydrophobicContact CD1-CD2 4.33Å; F137-L151 HydrophobicContact CD2-CD2 3.83Å; F137-L151 HydrophobicContact CD2-CG 4.41Å; F137-L151 HydrophobicContact CE1-CD2 4.26Å; F137-L151 HydrophobicContact CE2-CD2 3.78Å; F137-L151 HydrophobicContact CE2-CG 3.87Å; F137-L151 HydrophobicContact CG-CD2 4.11Å; F137-L151 HydrophobicContact CZ-CD2 3.99Å; F137-L151 HydrophobicContact CZ-CG 3.98Å; F137-Y298 HydrophobicContact CB-CD2 3.74Å; F137-Y298 HydrophobicContact CB-CE2 4.38Å; F137-Y298 HydrophobicContact CB-CG 3.83Å; F137-Y298 AromaticContact CD1-CD1 3.89Å; F137-Y298 HydrophobicContact CD1-CD1 3.89Å; F137-Y298 AromaticContact CD1-CD2 3.57Å; F137-Y298 HydrophobicContact CD1-CD2 3.57Å; F137-Y298 AromaticContact CD1-CE1 3.69Å; F137-Y298 HydrophobicContact CD1-CE1 3.69Å; F137-Y298 AromaticContact CD1-CE2 3.35Å; F137-Y298 HydrophobicContact CD1-CE2 3.35Å; F137-Y298 AromaticContact CD1-CG 3.83Å; F137-Y298 HydrophobicContact CD1-CG 3.83Å; F137-Y298 AromaticContact CD1-CZ 3.41Å; F137-Y298 VanDerWaalsContact CD1-CZ 3.41Å; F137-Y298 AromaticContact CD2-CD1 3.77Å; F137-Y298 HydrophobicContact CD2-CD1 3.77Å; F137-Y298 HydrophobicContact CD2-CD2 4.43Å; F137-Y298 HydrophobicContact CD2-CE1 4.21Å; F137-Y298 AromaticContact CD2-CG 3.89Å; F137-Y298 HydrophobicContact CD2-CG 3.89Å; F137-Y298 AromaticContact CE1-CD1 4Å; F137-Y298 HydrophobicContact CE1-CD1 4Å; F137-Y298 HydrophobicContact CE1-CD2 4.32Å; F137-Y298 AromaticContact CE1-CE1 3.44Å; F137-Y298 HydrophobicContact CE1-CE1 3.44Å; F137-Y298 VanDerWaalsContact CE1-CE1 3.44Å; F137-Y298 AromaticContact CE1-CE2 3.81Å; F137-Y298 HydrophobicContact CE1-CE2 3.81Å; F137-Y298 HydrophobicContact CE1-CG 4.4Å; F137-Y298 AromaticContact CE1-CZ 3.33Å; F137-Y298 AromaticContact CE2-CD1 3.86Å; F137-Y298 HydrophobicContact CE2-CD1 3.86Å; F137-Y298 AromaticContact CE2-CE1 3.97Å; F137-Y298 HydrophobicContact CE2-CE1 3.97Å; F137-Y298 HydrophobicContact CE2-CG 4.44Å; F137-Y298 AromaticContact CG-CD1 3.8Å; F137-Y298 HydrophobicContact CG-CD1 3.8Å; F137-Y298 AromaticContact CG-CD2 3.65Å; F137-Y298 HydrophobicContact CG-CD2 3.65Å; F137-Y298 HydrophobicContact CG-CE1 4.1Å; F137-Y298 AromaticContact CG-CE2 3.96Å; F137-Y298 HydrophobicContact CG-CE2 3.96Å; F137-Y298 AromaticContact CG-CG 3.56Å; F137-Y298 HydrophobicContact CG-CG 3.56Å; F137-Y298 AromaticContact CZ-CD1 3.99Å; F137-Y298 HydrophobicContact CZ-CD1 3.99Å; F137-Y298 AromaticContact CZ-CE1 3.6Å; F137-Y298 HydrophobicContact CZ-CE1 3.6Å; F137-Y298 AromaticContact CZ-CZ 4Å
138L95.2Very high94.9Very high71 Ų7141.2 Ų41.237%0.37223%0.23SC..Hα-helixtrans-67.5-43.4-178.1-69.6172.2000112.6S134 F136 S142 Y298 Y301S134-L138 WeakPolarHBondContact O-CB 3.49Å; S134-L138 WeakPolarHBondContact O-CG 3.49Å; S134-L138 PolarHBondContact O-N 2.8Å; F136-L138 PolarHBondContact O-N 2.9Å; L138-S142 VanDerWaalsContact O-CB 3.28Å; L138-S142 WeakPolarHBondContact O-CB 3.27Å; L138-S142 PolarHBondContact O-N 2.95Å; L138-Y298 HydrophobicContact CD2-CE2 4.13Å; L138-Y298 HydrophobicContact CG-CE2 4.41Å; L138-Y301 HydrophobicContact CD1-CE1 3.82Å; L138-Y301 WeakPolarHBondContact CD1-OH 3.44Å; L138-Y301 HydrophobicContact CG-CE1 4.5Å
139D93.9Very high95Very high77 Ų7741 Ų4141%0.41223%0.229SC..Hα-helixtrans-61.5-47.9176176.866.4000111.1D135 S142 K143D135-D139 VanDerWaalsContact O-CB 3.28Å; D135-D139 WeakPolarHBondContact O-CB 3.22Å; D135-D139 PolarHBondContact O-N 3.41Å; D139-S142 PolarHBondContact O-N 2.92Å; D139-K143 VanDerWaalsContact CG-NZ 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.48Å; D139-K143 PolarHBondContact O-N 2.94Å; D139-K143 WeakPolarHBondContact OD1-CE 3.39Å; D139-K143 IonicContact OD1-NZ 2.69Å; D139-K143 PolarHBondContact OD1-NZ 2.92Å; D139-K143 VanDerWaalsContact OD1-NZ 3.12Å; D139-K143 WeakPolarHBondContact OD2-CE 3.28Å; D139-K143 IonicContact OD2-NZ 3.92Å; D139-K143 PolarHBondContact OD2-NZ 3.39Å
140L95Very high95Very high4 Ų446.3 Ų46.32%0.02125%0.248CC..Hα-helixtrans-65.2-45.9179.4-177.660.8000112I31 L111 F136 S142 K143 L144 L151I31-L140 HydrophobicContact CD1-CD2 3.43Å; I31-L140 VanDerWaalsContact CD1-CD2 3.43Å; L111-L140 HydrophobicContact CD2-CD1 4.15Å; L111-L140 HydrophobicContact CD2-CD2 3.84Å; F136-L140 HydrophobicContact CE1-CD2 4.1Å; F136-L140 HydrophobicContact CE2-CD2 4.43Å; F136-L140 HydrophobicContact CZ-CD2 3.79Å; F136-L140 VanDerWaalsContact O-CB 3.24Å; F136-L140 WeakPolarHBondContact O-CB 3.33Å; F136-L140 PolarHBondContact O-N 2.98Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 3.29Å; L140-K143 PolarHBondContact O-N 2.92Å; L140-L144 HydrophobicContact CD1-CD1 3.93Å; L140-L144 HydrophobicContact CD1-CD2 4.49Å; L140-L144 HydrophobicContact CD1-CG 3.96Å; L140-L144 HydrophobicContact CD2-CD1 4.43Å; L140-L144 HydrophobicContact CG-CD1 3.83Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CB 3.34Å; L140-L144 WeakPolarHBondContact O-CG 3.47Å; L140-L144 PolarHBondContact O-N 3.31Å; L140-L151 HydrophobicContact CB-CD2 4.15Å; L140-L151 HydrophobicContact CD2-CD1 4.34Å; L140-L151 HydrophobicContact CD2-CD2 3.94Å; L140-L151 HydrophobicContact CG-CD2 4.03Å
141S97.1Very high95.1Very high39 Ų3943.3 Ų43.327%0.27324%0.237SC..Hα-helixtrans-57.8-45.9177.7-176.70000111.4F137 K143 L144 A145F137-S141 WeakPolarHBondContact O-CB 3.49Å; F137-S141 PolarHBondContact O-N 2.69Å; S141-K143 PolarHBondContact O-N 2.85Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 3.03Å
142S97.5Very high95.2Very high70 Ų7043.6 Ų43.649%0.4924%0.238SC..Hα-helixtrans-60.6-41.8176175.20000112.8L138 D139 L140L138-S142 VanDerWaalsContact O-CB 3.28Å; L138-S142 WeakPolarHBondContact O-CB 3.27Å; L138-S142 PolarHBondContact O-N 2.95Å; D139-S142 PolarHBondContact O-N 2.92Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 3.29Å
143K96.8Very high95.5Very high80 Ų8046 Ų4635%0.34825%0.254SS..Hα-helixtrans-69.4-43.6178.5-72.6170.7178.5167.10112.2S112 D139 L140 S141 K146S112-K143 WeakPolarHBondContact OG-CD 3.47Å; D139-K143 VanDerWaalsContact CG-NZ 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.48Å; D139-K143 PolarHBondContact O-N 2.94Å; D139-K143 WeakPolarHBondContact OD1-CE 3.39Å; D139-K143 IonicContact OD1-NZ 2.69Å; D139-K143 PolarHBondContact OD1-NZ 2.92Å; D139-K143 VanDerWaalsContact OD1-NZ 3.12Å; D139-K143 WeakPolarHBondContact OD2-CE 3.28Å; D139-K143 IonicContact OD2-NZ 3.92Å; D139-K143 PolarHBondContact OD2-NZ 3.39Å; L140-K143 PolarHBondContact O-N 2.92Å; S141-K143 PolarHBondContact O-N 2.85Å; K143-K146 WeakPolarHBondContact O-CB 3.48Å; K143-K146 PolarHBondContact O-N 2.79Å
144L96.8Very high95.7Very high1 Ų145.2 Ų45.21%0.00525%0.248CC..Hα-helixtrans-67.6-35.8178.9-69.6177.7000112.8L115 V125 L140 S141 K146 S147 I149 L151L115-L144 HydrophobicContact CB-CD2 3.65Å; L115-L144 HydrophobicContact CD1-CD1 3.95Å; L115-L144 HydrophobicContact CD1-CD2 3.79Å; L115-L144 HydrophobicContact CD1-CG 4.46Å; L115-L144 HydrophobicContact CG-CD2 4.38Å; V125-L144 HydrophobicContact CG2-CD1 4.41Å; L140-L144 HydrophobicContact CD1-CD1 3.93Å; L140-L144 HydrophobicContact CD1-CD2 4.49Å; L140-L144 HydrophobicContact CD1-CG 3.96Å; L140-L144 HydrophobicContact CD2-CD1 4.43Å; L140-L144 HydrophobicContact CG-CD1 3.83Å; L140-L144 HydrophobicContact CG-CG 4.25Å; L140-L144 WeakPolarHBondContact O-CB 3.34Å; L140-L144 WeakPolarHBondContact O-CG 3.47Å; L140-L144 PolarHBondContact O-N 3.31Å; S141-L144 PolarHBondContact O-N 2.97Å; L144-K146 PolarHBondContact O-N 3Å; L144-K146 VanDerWaalsContact O-N 3.15Å; L144-S147 PolarHBondContact O-N 3.16Å; L144-I149 CarbonylContact C-O 2.91Å; L144-I149 VanDerWaalsContact C-O 3.3Å; L144-I149 HydrophobicContact CB-CB 4.12Å; L144-I149 HydrophobicContact CB-CG2 4.16Å; L144-I149 HydrophobicContact CD1-CG2 4.32Å; L144-I149 HydrophobicContact CD2-CD1 4.48Å; L144-I149 HydrophobicContact CD2-CG2 4.26Å; L144-I149 HydrophobicContact CG-CG2 4.48Å; L144-I149 PolarHBondContact O-N 2.9Å; L144-I149 VanDerWaalsContact O-N 3.14Å; L144-L151 HydrophobicContact CD1-CB 4.18Å; L144-L151 HydrophobicContact CD1-CD1 4.44Å
145A97.4Very high95.7Very high62 Ų6249.3 Ų49.351%0.51228%0.275SS..Hα-helixtrans-59.7-26.7177.500000113.1S141 S147 S148 I149S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 3.03Å; A145-S147 PolarHBondContact O-N 3.01Å; A145-S148 PolarHBondContact O-N 2.62Å; A145-S148 VanDerWaalsContact O-N 3.14Å; A145-I149 PolarHBondContact N-O 2.88Å
146K97.1Very high95.9Very high168 Ų16849.7 Ų49.773%0.7328%0.283SS*.THydrogen-bonded Turntrans-65.8-23.1175.4-63.9176.5-176.5176.70113.2K143 L144K143-K146 WeakPolarHBondContact O-CB 3.48Å; K143-K146 PolarHBondContact O-N 2.79Å; L144-K146 PolarHBondContact O-N 3Å; L144-K146 VanDerWaalsContact O-N 3.15Å
147S96.2Very high96.1Very high41 Ų4149.5 Ų49.529%0.28728%0.282SS..THydrogen-bonded Turntrans-104.919176.1-54.30000111.9A116 L144 A145 I149A116-S147 WeakPolarHBondContact CB-OG 3.27Å; L144-S147 PolarHBondContact O-N 3.16Å; A145-S147 PolarHBondContact O-N 3.01Å; S147-I149 PolarHBondContact O-N 3.27Å; S147-I149 VanDerWaalsContact O-N 3.15Å
148S97.1Very high96.2Very high65 Ų6549.3 Ų49.346%0.45528%0.281SS..THydrogen-bonded Turntrans57.625.3-176.6-56.20000114.1G122 A145G122-S148 VanDerWaalsContact CA-O 3.29Å; G122-S148 WeakPolarHBondContact CA-O 3.39Å; G122-S148 PolarHBondContact N-O 3.48Å; A145-S148 PolarHBondContact O-N 2.62Å; A145-S148 VanDerWaalsContact O-N 3.14Å
149I97.2Very high96.1Very high3 Ų345.9 Ų45.92%0.01526%0.264CS..PPolyproline II helixtrans-98.1135.5175.5-65.1166.3000108.6L119 V125 L144 A145 S147L119-I149 HydrophobicContact CB-CD1 3.89Å; L119-I149 HydrophobicContact CD1-CD1 4.5Å; L119-I149 HydrophobicContact CD1-CG2 4.46Å; V125-I149 HydrophobicContact CG2-CG2 3.55Å; L144-I149 CarbonylContact C-O 2.91Å; L144-I149 VanDerWaalsContact C-O 3.3Å; L144-I149 HydrophobicContact CB-CB 4.12Å; L144-I149 HydrophobicContact CB-CG2 4.16Å; L144-I149 HydrophobicContact CD1-CG2 4.32Å; L144-I149 HydrophobicContact CD2-CD1 4.48Å; L144-I149 HydrophobicContact CD2-CG2 4.26Å; L144-I149 HydrophobicContact CG-CG2 4.48Å; L144-I149 PolarHBondContact O-N 2.9Å; L144-I149 VanDerWaalsContact O-N 3.14Å; A145-I149 PolarHBondContact N-O 2.88Å; S147-I149 PolarHBondContact O-N 3.27Å; S147-I149 VanDerWaalsContact O-N 3.15Å
150R97.5Very high96.2Very high120 Ų12044 Ų4445%0.45325%0.253SS..EExtended strand (participates in β ladder)trans-100.8127.2179.3-63.9-170-64.2121.7-3.9110.9E25 S123 V125 I152E25-R150 IonicContact OE1-CZ 2.66Å; E25-R150 IonicContact OE1-NH1 2.77Å; E25-R150 PolarHBondContact OE1-NH1 3.39Å; E25-R150 IonicContact OE1-NH2 3.95Å; E25-R150 PolarHBondContact OE1-NH2 3.4Å; E25-R150 IonicContact OE2-CZ 3.49Å; E25-R150 IonicContact OE2-NH1 3.21Å; E25-R150 PolarHBondContact OE2-NH1 2.8Å; E25-R150 IonicContact OE2-NH2 2.82Å; E25-R150 PolarHBondContact OE2-NH2 2.91Å; S123-R150 PolarHBondContact O-N 3.46Å; V125-R150 PolarHBondContact N-O 3.13Å; R150-I152 HydrophobicContact CB-CG2 4.47Å
151L97.3Very high96.2Very high13 Ų1346.5 Ų46.57%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-92.9123.1165.7-174.567.8000109.4I31 V125 I127 F137 L140 L144I31-L151 HydrophobicContact CD1-CD1 4.03Å; V125-L151 HydrophobicContact CB-CD1 4.03Å; V125-L151 HydrophobicContact CG1-CD1 3.82Å; V125-L151 CarbonylContact O-C 3.55Å; V125-L151 WeakPolarHBondContact O-CA 3.5Å; I127-L151 HydrophobicContact CB-CD1 4.32Å; I127-L151 HydrophobicContact CG2-CD1 3.83Å; I127-L151 HydrophobicContact CG2-CD2 4.37Å; I127-L151 HydrophobicContact CG2-CG 4.13Å; F137-L151 HydrophobicContact CD1-CD2 4.33Å; F137-L151 HydrophobicContact CD2-CD2 3.83Å; F137-L151 HydrophobicContact CD2-CG 4.41Å; F137-L151 HydrophobicContact CE1-CD2 4.26Å; F137-L151 HydrophobicContact CE2-CD2 3.78Å; F137-L151 HydrophobicContact CE2-CG 3.87Å; F137-L151 HydrophobicContact CG-CD2 4.11Å; F137-L151 HydrophobicContact CZ-CD2 3.99Å; F137-L151 HydrophobicContact CZ-CG 3.98Å; L140-L151 HydrophobicContact CB-CD2 4.15Å; L140-L151 HydrophobicContact CD2-CD1 4.34Å; L140-L151 HydrophobicContact CD2-CD2 3.94Å; L140-L151 HydrophobicContact CG-CD2 4.03Å; L144-L151 HydrophobicContact CD1-CB 4.18Å; L144-L151 HydrophobicContact CD1-CD1 4.44Å
152I97Very high96.1Very high18 Ų1845.6 Ų45.69%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-120.2144.6-179.671.4168.2000112.4P24 E25 L27 V124 V125 I127 R150 V154P24-I152 HydrophobicContact CG-CD1 3.88Å; E25-I152 HydrophobicContact CG-CD1 3.49Å; E25-I152 VanDerWaalsContact CG-CD1 3.49Å; E25-I152 WeakPolarHBondContact OE1-CD1 3.41Å; E25-I152 WeakPolarHBondContact OE1-CG2 3.49Å; L27-I152 HydrophobicContact CD2-CD1 3.71Å; L27-I152 HydrophobicContact CD2-CG1 4.08Å; V124-I152 HydrophobicContact CG1-CD1 3.66Å; V124-I152 HydrophobicContact CG1-CG1 3.88Å; V124-I152 HydrophobicContact CG1-CG2 4.15Å; V125-I152 PolarHBondContact O-N 2.81Å; I127-I152 PolarHBondContact N-O 3.36Å; I127-I152 VanDerWaalsContact N-O 3.12Å; R150-I152 HydrophobicContact CB-CG2 4.47Å; I152-V154 HydrophobicContact CD1-CG2 4.41Å; I152-V154 HydrophobicContact CG1-CG2 4.19Å
153P97.3Very high95.9Very high57 Ų5743.3 Ų43.337%0.3724%0.243SC..EExtended strand (participates in β ladder)trans-73.3131.8169.931.3-33.4000110.4I127 P129I127-P153 WeakPolarHBondContact O-CA 3.46Å; P129-P153 HydrophobicContact CB-CB 3.83Å; P129-P153 HydrophobicContact CG-CB 3.92Å
154V96.9Very high95.4Very high1 Ų143.1 Ų43.11%0.00625%0.252CS..  trans-118.796173.9-175.60000107.9V23 L27 Y30 I127 D128 P129 I152 A156 L158V23-V154 HydrophobicContact CG1-CG1 4.07Å; L27-V154 HydrophobicContact CD1-CG2 4.14Å; L27-V154 HydrophobicContact CD2-CG2 4.35Å; Y30-V154 HydrophobicContact CE2-CB 4.33Å; Y30-V154 HydrophobicContact CE2-CG2 4.49Å; I127-V154 PolarHBondContact O-N 3.38Å; D128-V154 WeakPolarHBondContact CA-O 3.27Å; P129-V154 WeakPolarHBondContact CD-O 3.26Å; I152-V154 HydrophobicContact CD1-CG2 4.41Å; I152-V154 HydrophobicContact CG1-CG2 4.19Å; V154-A156 WeakPolarHBondContact CG1-O 3.27Å; V154-A156 PolarHBondContact O-N 3.08Å; V154-L158 HydrophobicContact CG1-CD2 4.16Å; V154-L158 HydrophobicContact CG1-CG 4.42Å
155P92.6Very high94.9Very high90 Ų9049.9 Ų49.958%0.58429%0.294SS*.SBendtrans-61.3-28-172.4-26.635.5000114.9
156A93.2Very high94.6Very high42 Ų4250.9 Ų50.935%0.34730%0.297SS..SBendtrans-80.6124.1171.300000109.7I22 V154 L158I22-A156 HydrophobicContact CG2-CB 4.39Å; V154-A156 WeakPolarHBondContact CG1-O 3.27Å; V154-A156 PolarHBondContact O-N 3.08Å; A156-L158 PolarHBondContact O-N 3.45Å
157N94.7Very high94.5Very high13 Ų1346.4 Ų46.47%0.0728%0.275CS..  trans-73114.2174.5-164.8-68.8000110.5R49 D128 V159 D160 C161R49-N157 VanDerWaalsContact CD-ND2 3.32Å; R49-N157 WeakPolarHBondContact CD-ND2 3.3Å; R49-N157 WeakPolarHBondContact CD-OD1 3.23Å; R49-N157 VanDerWaalsContact NE-CG 3.29Å; R49-N157 PolarHBondContact NE-ND2 3.47Å; R49-N157 PolarHBondContact NE-OD1 3.44Å; D128-N157 WeakPolarHBondContact OD2-CB 3.37Å; D128-N157 PolarHBondContact OD2-ND2 3.31Å; N157-V159 PolarHBondContact O-N 3.22Å; N157-V159 WeakPolarHBondContact OD1-CB 3.37Å; N157-V159 PolarHBondContact OD1-N 3.24Å; N157-D160 HydrophobicContact CB-CB 4.2Å; N157-D160 WeakPolarHBondContact O-CB 3.34Å; N157-D160 PolarHBondContact O-N 2.99Å; N157-D160 VanDerWaalsContact O-N 3.11Å; N157-D160 PolarHBondContact OD1-N 3.3Å; N157-C161 PolarHBondContact O-N 3.06Å
158L95.6Very high94.4Very high0 Ų046.6 Ų46.60%028%0.276CS..Hα-helixtrans-68.4-23.2-173.9-57.9-170.8000113.2L13 V16 M17 I22 V23 L27 Y30 V154 A156 C161L13-L158 HydrophobicContact CD1-CB 3.8Å; V16-L158 HydrophobicContact CG2-CB 3.89Å; V16-L158 HydrophobicContact CG2-CD1 4.44Å; V16-L158 HydrophobicContact CG2-CD2 4.45Å; V16-L158 HydrophobicContact CG2-CG 4.49Å; M17-L158 HydrophobicContact CG-CD1 3.76Å; I22-L158 HydrophobicContact CG2-CD2 3.48Å; I22-L158 VanDerWaalsContact CG2-CD2 3.48Å; V23-L158 HydrophobicContact CG1-CD1 3.98Å; V23-L158 HydrophobicContact CG1-CD2 3.82Å; L27-L158 HydrophobicContact CD1-CD1 3.78Å; Y30-L158 HydrophobicContact CD1-CB 4.23Å; Y30-L158 HydrophobicContact CD1-CD1 4.2Å; Y30-L158 HydrophobicContact CD1-CG 4.48Å; Y30-L158 HydrophobicContact CD2-CD1 3.67Å; Y30-L158 HydrophobicContact CD2-CG 4.26Å; Y30-L158 HydrophobicContact CE1-CB 3.73Å; Y30-L158 HydrophobicContact CE1-CD1 4.22Å; Y30-L158 HydrophobicContact CE1-CG 4.03Å; Y30-L158 HydrophobicContact CE2-CB 4.42Å; Y30-L158 HydrophobicContact CE2-CD1 3.7Å; Y30-L158 HydrophobicContact CE2-CG 3.79Å; Y30-L158 HydrophobicContact CG-CD1 3.92Å; Y30-L158 PolarHBondContact OH-N 3.14Å; V154-L158 HydrophobicContact CG1-CD2 4.16Å; V154-L158 HydrophobicContact CG1-CG 4.42Å; A156-L158 PolarHBondContact O-N 3.45Å; L158-C161 WeakPolarHBondContact O-CB 3.18Å
159V95Very high94.2Very high0 Ų051.9 Ų51.90%029%0.293CS..Hα-helixtrans-70.5-40174.4-170.80000110.2V32 R49 F52 L53 N157 C161 I162 W163V32-V159 HydrophobicContact CG1-CG2 4.01Å; V32-V159 HydrophobicContact CG2-CG2 3.87Å; R49-V159 HydrophobicContact CB-CB 4.03Å; R49-V159 HydrophobicContact CB-CG1 3.87Å; R49-V159 HydrophobicContact CB-CG2 4.2Å; R49-V159 HydrophobicContact CG-CB 4.13Å; R49-V159 HydrophobicContact CG-CG1 4.16Å; F52-V159 HydrophobicContact CD1-CG1 3.7Å; F52-V159 HydrophobicContact CE1-CG1 4.18Å; L53-V159 HydrophobicContact CD1-CG1 4.22Å; L53-V159 HydrophobicContact CD1-CG2 3.71Å; L53-V159 HydrophobicContact CD2-CG1 4.16Å; L53-V159 HydrophobicContact CG-CG1 3.97Å; L53-V159 HydrophobicContact CG-CG2 4.39Å; N157-V159 PolarHBondContact O-N 3.22Å; N157-V159 WeakPolarHBondContact OD1-CB 3.37Å; N157-V159 PolarHBondContact OD1-N 3.24Å; V159-C161 VanDerWaalsContact C-N 3.25Å; V159-C161 PolarHBondContact O-N 3.18Å; V159-I162 WeakPolarHBondContact O-CG1 3.4Å; V159-I162 PolarHBondContact O-N 3.34Å; V159-I162 VanDerWaalsContact O-N 3.09Å; V159-W163 VanDerWaalsContact O-CB 3.31Å; V159-W163 WeakPolarHBondContact O-CB 3.44Å; V159-W163 PolarHBondContact O-N 2.69Å
160D95.4Very high94Very high36 Ų3655.3 Ų55.319%0.19331%0.311CS..Hα-helixtrans-63.8-34.4179-64.4-9.1000111.1R49 N157 I162 W163 S164 R167R49-D160 IonicContact CZ-OD1 3.14Å; R49-D160 IonicContact CZ-OD2 3.12Å; R49-D160 IonicContact NE-OD1 2.78Å; R49-D160 PolarHBondContact NE-OD1 2.9Å; R49-D160 IonicContact NE-OD2 2.76Å; R49-D160 PolarHBondContact NE-OD2 3.36Å; R49-D160 IonicContact NH2-OD1 3.88Å; R49-D160 IonicContact NH2-OD2 3.32Å; R49-D160 PolarHBondContact NH2-OD2 2.96Å; N157-D160 HydrophobicContact CB-CB 4.2Å; N157-D160 WeakPolarHBondContact O-CB 3.34Å; N157-D160 PolarHBondContact O-N 2.99Å; N157-D160 VanDerWaalsContact O-N 3.11Å; N157-D160 PolarHBondContact OD1-N 3.3Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.05Å; D160-W163 PolarHBondContact O-N 2.9Å; D160-S164 PolarHBondContact O-N 2.82Å; D160-R167 IonicContact OD1-CZ 2.69Å; D160-R167 IonicContact OD1-NE 3.34Å; D160-R167 PolarHBondContact OD1-NE 2.62Å; D160-R167 IonicContact OD2-CZ 3.06Å; D160-R167 IonicContact OD2-NE 2.66Å; D160-R167 IonicContact OD2-NH1 3.59Å; D160-R167 IonicContact OD2-NH2 3.73Å
161C94.4Very high93.8Very high58 Ų5851.2 Ų51.239%0.39230%0.3SS..Hα-helixtrans-58.5-35.7174.2-60.60000113.1V16 N157 L158 V159V16-C161 HydrophobicContact CG1-CB 4.29Å; N157-C161 PolarHBondContact O-N 3.06Å; L158-C161 WeakPolarHBondContact O-CB 3.18Å; V159-C161 VanDerWaalsContact C-N 3.25Å; V159-C161 PolarHBondContact O-N 3.18Å
162I94.7Very high93.4Very high19 Ų1954.5 Ų54.510%0.09733%0.329CS..Hα-helixtrans-98.3-23-177.265.6161.5000113.4L9 K12 L13 V16 F52 L53 V159 D160 S164L9-I162 WeakPolarHBondContact O-CD1 3.47Å; K12-I162 HydrophobicContact CB-CB 4.09Å; K12-I162 HydrophobicContact CB-CD1 4.34Å; K12-I162 HydrophobicContact CB-CG2 3.75Å; L13-I162 HydrophobicContact CB-CD1 3.94Å; L13-I162 HydrophobicContact CD1-CD1 4.43Å; V16-I162 HydrophobicContact CG1-CG2 3.94Å; V16-I162 HydrophobicContact CG2-CG2 4.12Å; F52-I162 HydrophobicContact CE1-CD1 4.48Å; F52-I162 HydrophobicContact CE1-CG1 4.41Å; L53-I162 HydrophobicContact CD2-CD1 3.86Å; V159-I162 WeakPolarHBondContact O-CG1 3.4Å; V159-I162 PolarHBondContact O-N 3.34Å; V159-I162 VanDerWaalsContact O-N 3.09Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.05Å; I162-S164 VanDerWaalsContact C-N 3.31Å
163W93.7Very high93.1Very high22 Ų2254.2 Ų54.28%0.08333%0.33CS..Hα-helixtrans-71.1-32.9172.7-159.6-5.6000110.7L45 C46 R49 F52 V159 D160 S166 R167 P168L45-W163 VanDerWaalsContact O-CH2 3.32Å; L45-W163 WeakPolarHBondContact O-CH2 3.24Å; C46-W163 WeakPolarHBondContact O-CZ3 3.35Å; R49-W163 HydrophobicContact CG-CE3 4.37Å; R49-W163 HydrophobicContact CG-CZ3 4.09Å; F52-W163 HydrophobicContact CB-CD2 4.28Å; F52-W163 HydrophobicContact CB-CE3 4.31Å; F52-W163 HydrophobicContact CB-CH2 4.03Å; F52-W163 HydrophobicContact CB-CZ2 4Å; F52-W163 HydrophobicContact CB-CZ3 4.2Å; F52-W163 HydrophobicContact CD1-CB 4.28Å; F52-W163 HydrophobicContact CD1-CD2 4.04Å; F52-W163 HydrophobicContact CD1-CE3 4.34Å; F52-W163 HydrophobicContact CD1-CG 4.04Å; F52-W163 AromaticContact CD2-CD1 3.7Å; F52-W163 AromaticContact CD2-CD2 3.99Å; F52-W163 HydrophobicContact CD2-CD2 3.99Å; F52-W163 AromaticContact CD2-CE2 3.62Å; F52-W163 HydrophobicContact CD2-CG 4.05Å; F52-W163 HydrophobicContact CD2-CZ2 4.14Å; F52-W163 AromaticContact CD2-NE1 3.47Å; F52-W163 HydrophobicContact CE1-CB 3.82Å; F52-W163 HydrophobicContact CE1-CD2 4.37Å; F52-W163 AromaticContact CE1-CG 3.88Å; F52-W163 HydrophobicContact CE1-CG 3.88Å; F52-W163 AromaticContact CE2-CD1 3.37Å; F52-W163 HydrophobicContact CE2-CD2 4.34Å; F52-W163 AromaticContact CE2-CG 3.9Å; F52-W163 HydrophobicContact CE2-CG 3.9Å; F52-W163 AromaticContact CE2-NE1 3.57Å; F52-W163 AromaticContact CG-CD2 3.82Å; F52-W163 HydrophobicContact CG-CD2 3.82Å; F52-W163 AromaticContact CG-CE2 3.81Å; F52-W163 HydrophobicContact CG-CE3 4.24Å; F52-W163 HydrophobicContact CG-CG 4.11Å; F52-W163 HydrophobicContact CG-CZ2 4.2Å; F52-W163 HydrophobicContact CZ-CB 3.97Å; F52-W163 AromaticContact CZ-CD1 3.62Å; F52-W163 AromaticContact CZ-CG 3.8Å; F52-W163 HydrophobicContact CZ-CG 3.8Å; V159-W163 VanDerWaalsContact O-CB 3.31Å; V159-W163 WeakPolarHBondContact O-CB 3.44Å; V159-W163 PolarHBondContact O-N 2.69Å; D160-W163 PolarHBondContact O-N 2.9Å; W163-S166 VanDerWaalsContact CD1-OG 3.27Å; W163-S166 PolarHBondContact NE1-O 3.38Å; W163-S166 PolarHBondContact O-N 3.3Å; W163-S166 PolarHBondContact O-OG 3.08Å; W163-R167 HydrophobicContact CB-CB 4.22Å; W163-R167 HydrophobicContact CD2-CB 3.76Å; W163-R167 HydrophobicContact CD2-CG 3.78Å; W163-R167 HydrophobicContact CE3-CB 4.21Å; W163-R167 HydrophobicContact CE3-CG 3.71Å; W163-R167 HydrophobicContact CG-CB 3.73Å; W163-R167 HydrophobicContact CG-CG 4.25Å; W163-R167 HydrophobicContact CZ3-CG 4.12Å; W163-P168 HydrophobicContact CZ2-CG 4.15Å
164S86.2Confident92.9Very high77 Ų7758 Ų5854%0.53834%0.343SS..G310 helixtrans52.1-137.1169.5-168.30000111.7D160 I162 S166 R167D160-S164 PolarHBondContact O-N 2.82Å; I162-S164 VanDerWaalsContact C-N 3.31Å; S164-S166 PolarHBondContact O-N 3.14Å; S164-R167 WeakPolarHBondContact O-CB 3.23Å; S164-R167 PolarHBondContact O-N 2.78Å
165T85.9Confident92.9Very high143 Ų14358.2 Ų58.288%0.87734%0.344SS*.G310 helixtrans-69.3-11.5-174.656.50000114.7
166S91.5Very high93Very high83 Ų8355.7 Ų55.758%0.5832%0.324SS*.G310 helixtrans-88.6-3.417766.80000113.5W163 S164W163-S166 VanDerWaalsContact CD1-OG 3.27Å; W163-S166 PolarHBondContact NE1-O 3.38Å; W163-S166 PolarHBondContact O-N 3.3Å; W163-S166 PolarHBondContact O-OG 3.08Å; S164-S166 PolarHBondContact O-N 3.14Å
167R94.9Very high93.2Very high73 Ų7357.8 Ų57.828%0.27533%0.326SS..SBendtrans-64.5127.1172.4-174.5174.5176.6-122.4-4.6109.5C46 D47 D160 W163 S164C46-R167 VanDerWaalsContact O-CZ 3.31Å; C46-R167 PolarHBondContact O-NE 2.8Å; C46-R167 PolarHBondContact O-NH2 3.26Å; D47-R167 IonicContact OD1-NH2 3.14Å; D47-R167 PolarHBondContact OD1-NH2 3.32Å; D160-R167 IonicContact OD1-CZ 2.69Å; D160-R167 IonicContact OD1-NE 3.34Å; D160-R167 PolarHBondContact OD1-NE 2.62Å; D160-R167 IonicContact OD2-CZ 3.06Å; D160-R167 IonicContact OD2-NE 2.66Å; D160-R167 IonicContact OD2-NH1 3.59Å; D160-R167 IonicContact OD2-NH2 3.73Å; W163-R167 HydrophobicContact CB-CB 4.22Å; W163-R167 HydrophobicContact CD2-CB 3.76Å; W163-R167 HydrophobicContact CD2-CG 3.78Å; W163-R167 HydrophobicContact CE3-CB 4.21Å; W163-R167 HydrophobicContact CE3-CG 3.71Å; W163-R167 HydrophobicContact CG-CB 3.73Å; W163-R167 HydrophobicContact CG-CG 4.25Å; W163-R167 HydrophobicContact CZ3-CG 4.12Å; S164-R167 WeakPolarHBondContact O-CB 3.23Å; S164-R167 PolarHBondContact O-N 2.78Å
168P94.7Very high93.4Very high46 Ų4657.2 Ų57.230%0.29932%0.323SS..PPolyproline II helixtrans-54.6147.6174.6-2634.5000111.7L45 C46 W163L45-P168 HydrophobicContact CB-CB 3.97Å; L45-P168 HydrophobicContact CB-CG 3.95Å; C46-P168 HydrophobicContact CB-CB 4.4Å; C46-P168 WeakPolarHBondContact CB-O 3.44Å; W163-P168 HydrophobicContact CZ2-CG 4.15Å
169H92.9Very high93.4Very high176 Ų17658.6 Ų58.682%0.81533%0.333SS*.PPolyproline II helixtrans-66.4153.4174.5-66.1-65.7000111.4
170L91.7Very high93.6Very high74 Ų7462.3 Ų62.339%0.38735%0.352SS..PPolyproline II helixtrans-58.7131.9169.1-166.974.6000108.8F232 H247L170-F232 HydrophobicContact CD1-CD2 3.94Å; L170-F232 HydrophobicContact CD1-CE2 3.64Å; L170-F232 HydrophobicContact CD1-CZ 4.09Å; L170-F232 HydrophobicContact CD2-CD2 4.43Å; L170-F232 HydrophobicContact CG-CD2 4.16Å; L170-F232 HydrophobicContact CG-CE2 4.16Å; L170-H247 VanDerWaalsContact CD2-NE2 3.25Å; L170-H247 WeakPolarHBondContact CD2-NE2 3.11Å
171P93.6Very high93.7Very high35 Ų3566.9 Ų66.923%0.22737%0.372CS..PPolyproline II helixtrans-54.7138.5173.6-2733.1000112.6A44 D224 F232A44-P171 HydrophobicContact CB-CG 3.65Å; P171-D224 HydrophobicContact CB-CB 3.96Å; P171-D224 WeakPolarHBondContact CB-O 3.4Å; P171-D224 VanDerWaalsContact CG-O 3.23Å; P171-D224 WeakPolarHBondContact CG-O 3.25Å; P171-F232 HydrophobicContact CB-CE2 4.46Å; P171-F232 HydrophobicContact CG-CE2 4.15Å
172A90.3Very high93.9Very high82 Ų8265 Ų6568%0.67836%0.358SS*.  trans-118.153.1174.100000109.9
173G90.9Very high94Very high11 Ų1164.1 Ų64.111%0.11335%0.353CS..PPolyproline II helixtrans-63.3145.2-176.900000112.7S223 D224 K250G173-S223 VanDerWaalsContact CA-OG 3.22Å; G173-S223 WeakPolarHBondContact CA-OG 3.49Å; G173-D224 WeakPolarHBondContact CA-OD1 3.14Å; G173-D224 PolarHBondContact N-OD1 2.65Å; G173-K250 WeakPolarHBondContact O-CE 3.34Å; G173-K250 PolarHBondContact O-NZ 2.67Å
174H91.1Very high94.2Very high136 Ų13664.1 Ų64.163%0.6336%0.36SS*.PPolyproline II helixtrans-67.4134178.4-179.265.8000111.1S223H174-S223 PolarHBondContact N-OG 3.43Å
175L97.4Very high94.8Very high6 Ų662.2 Ų62.23%0.03135%0.345CS..PPolyproline II helixtrans-91.9137.1174-54.9-173.5000110.4V220 R221 F231 V246 K250 V251 L255L175-V220 HydrophobicContact CB-CG1 4.21Å; L175-R221 WeakPolarHBondContact CA-O 3.32Å; L175-F231 HydrophobicContact CD1-CD2 4.4Å; L175-F231 HydrophobicContact CD2-CB 3.34Å; L175-F231 HydrophobicContact CD2-CD1 3.77Å; L175-F231 HydrophobicContact CD2-CD2 4.05Å; L175-F231 HydrophobicContact CD2-CG 3.45Å; L175-F231 VanDerWaalsContact CD2-CG 3.45Å; L175-V246 HydrophobicContact CD1-CG2 4.4Å; L175-K250 HydrophobicContact CD1-CB 3.93Å; L175-K250 HydrophobicContact CG-CB 4.05Å; L175-K250 WeakPolarHBondContact CG-O 3.5Å; L175-V251 HydrophobicContact CD1-CG2 4.14Å; L175-L255 HydrophobicContact CB-CD2 3.65Å; L175-L255 HydrophobicContact CD1-CD2 3.93Å; L175-L255 HydrophobicContact CG-CD2 4.45Å
176F95.9Very high95.4Very high37 Ų3757.1 Ų57.116%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-137.2152.717664.5-87.7000111.6V220 R221 L380 Y424F176-V220 WeakPolarHBondContact O-CA 3.45Å; F176-R221 HydrophobicContact CD1-CB 4.15Å; F176-R221 HydrophobicContact CD2-CB 4.12Å; F176-R221 HydrophobicContact CE1-CB 3.58Å; F176-R221 HydrophobicContact CE2-CB 3.55Å; F176-R221 HydrophobicContact CE2-CG 3.99Å; F176-R221 HydrophobicContact CG-CB 4.41Å; F176-R221 HydrophobicContact CZ-CB 3.26Å; F176-R221 HydrophobicContact CZ-CG 4Å; F176-R221 PolarHBondContact N-O 3.18Å; F176-R221 PolarHBondContact O-N 2.73Å; F176-L380 HydrophobicContact CZ-CD1 4.11Å; F176-L380 HydrophobicContact CZ-CD2 4.43Å; F176-Y424 HydrophobicContact CD2-CD1 4.41Å; F176-Y424 AromaticContact CD2-CE1 3.69Å; F176-Y424 HydrophobicContact CD2-CE1 3.69Å; F176-Y424 AromaticContact CE2-CD1 3.8Å; F176-Y424 HydrophobicContact CE2-CD1 3.8Å; F176-Y424 AromaticContact CE2-CE1 3.34Å; F176-Y424 HydrophobicContact CE2-CE1 3.34Å; F176-Y424 HydrophobicContact CZ-CE1 4.09Å
177Q97.1Very high95.7Very high87 Ų8753.3 Ų53.341%0.40729%0.288SS..EExtended strand (participates in β ladder)trans-72.9132.1174.1-177.8-171.8-18.200110.1S179 Y258Q177-S179 PolarHBondContact O-N 2.73Å; Q177-Y258 HydrophobicContact CG-CD1 4.41Å; Q177-Y258 HydrophobicContact CG-CD2 4.39Å; Q177-Y258 HydrophobicContact CG-CE1 3.99Å; Q177-Y258 HydrophobicContact CG-CE2 4Å
178H97.8Very high95.8Very high0 Ų052.9 Ų52.90%029%0.289CS..  trans-84.8103.9164.3-166.4-134.6000108.2F182 N219 R221 Y424H178-F182 VanDerWaalsContact NE2-CB 3.34Å; H178-F182 WeakPolarHBondContact NE2-CB 3.47Å; H178-N219 HydrophobicContact CB-CB 4.41Å; H178-N219 PolarHBondContact N-O 3.49Å; H178-R221 HydrophobicContact CB-CG 4.16Å; H178-R221 PolarHBondContact ND1-NH2 2.77Å; H178-R221 VanDerWaalsContact ND1-NH2 3.2Å; H178-Y424 PolarHBondContact NE2-O 3.29Å
179S97Very high95.9Very high29 Ų2953.4 Ų53.420%0.20329%0.291CS..  trans-62.8156.3-171.651.70000112.4Q177 E181 F182 A183Q177-S179 PolarHBondContact O-N 2.73Å; S179-E181 WeakPolarHBondContact CB-OE1 3.44Å; S179-E181 PolarHBondContact O-N 3.44Å; S179-E181 VanDerWaalsContact OG-CG 3.3Å; S179-E181 WeakPolarHBondContact OG-CG 3.33Å; S179-E181 PolarHBondContact OG-OE1 3.13Å; S179-F182 PolarHBondContact O-N 3.14Å; S179-F182 WeakPolarHBondContact OG-CD2 3.45Å; S179-F182 VanDerWaalsContact OG-CE2 3.29Å; S179-F182 WeakPolarHBondContact OG-CE2 3.25Å; S179-A183 PolarHBondContact O-N 3.35Å
180L98Very high96.2Very high78 Ų7845.1 Ų45.141%0.40825%0.253SS..Hα-helixtrans-64.5-19.4178.6-68.1-180000113.6F182 G184 P186L180-F182 PolarHBondContact O-N 3.16Å; L180-G184 WeakPolarHBondContact O-CA 3.23Å; L180-G184 PolarHBondContact O-N 3.39Å; L180-P186 HydrophobicContact CD1-CG 4.09Å; L180-P186 HydrophobicContact CD2-CB 4.36Å; L180-P186 HydrophobicContact CD2-CG 4.07Å
181E98.1Very high96.5Very high132 Ų13241.6 Ų41.662%0.61723%0.234SC*.Hα-helixtrans-62.3-22.1173.384.5-160.2130.700112.3S179 I326S179-E181 WeakPolarHBondContact CB-OE1 3.44Å; S179-E181 PolarHBondContact O-N 3.44Å; S179-E181 VanDerWaalsContact OG-CG 3.3Å; S179-E181 WeakPolarHBondContact OG-CG 3.33Å; S179-E181 PolarHBondContact OG-OE1 3.13Å; E181-I326 WeakPolarHBondContact O-CG2 3.32Å
182F98.1Very high96.7Very high19 Ų1944.6 Ų44.68%0.08325%0.248CC..Hα-helixtrans-111.5-41.2176.2-51.1-55.2000112.1H178 S179 L180 E327 L378 Y424 D425 M496H178-F182 VanDerWaalsContact NE2-CB 3.34Å; H178-F182 WeakPolarHBondContact NE2-CB 3.47Å; S179-F182 PolarHBondContact O-N 3.14Å; S179-F182 WeakPolarHBondContact OG-CD2 3.45Å; S179-F182 VanDerWaalsContact OG-CE2 3.29Å; S179-F182 WeakPolarHBondContact OG-CE2 3.25Å; L180-F182 PolarHBondContact O-N 3.16Å; F182-E327 WeakPolarHBondContact O-CG 3.36Å; F182-L378 HydrophobicContact CE1-CD1 3.83Å; F182-L378 HydrophobicContact CZ-CD1 3.84Å; F182-L378 HydrophobicContact CZ-CD2 4.34Å; F182-Y424 HydrophobicContact CE2-CG 4.34Å; F182-Y424 WeakPolarHBondContact CG-O 3.48Å; F182-D425 HydrophobicContact CD1-CB 3.63Å; F182-D425 HydrophobicContact CE1-CB 3.77Å; F182-M496 HydrophobicContact CB-CE 3.89Å; F182-M496 WeakPolarHBondContact O-CE 3.44Å
183A97.7Very high97Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-78.1-28.2-175.100000113.7S179 V185 N219 N324S179-A183 PolarHBondContact O-N 3.35Å; A183-V185 PolarHBondContact O-N 3.24Å; A183-N219 WeakPolarHBondContact CB-OD1 3.18Å; A183-N324 PolarHBondContact O-ND2 3.22Å
184G98.1Very high97.4Very high23 Ų2344 Ų4424%0.23723%0.229CC..  trans68.7-25.418000000117.3L180 I326L180-G184 WeakPolarHBondContact O-CA 3.23Å; L180-G184 PolarHBondContact O-N 3.39Å; G184-I326 VanDerWaalsContact CA-CD1 3.46Å
185V98.2Very high97.7Very high36 Ų3638 Ų3822%0.21820%0.201CC..SBendtrans-127.3127.2-177.8-174.60000110.7A183 T189 K190 N219A183-V185 PolarHBondContact O-N 3.24Å; V185-T189 HydrophobicContact CG1-CG2 3.82Å; V185-K190 HydrophobicContact CB-CG 4.37Å; V185-K190 HydrophobicContact CG1-CG 3.93Å; V185-N219 PolarHBondContact O-ND2 2.65Å
186P97.6Very high97.7Very high36 Ų3644.5 Ų44.523%0.23423%0.231CC..  trans-59.8150.3174.6-21.932.5000113.8L180 E188 T189 K190L180-P186 HydrophobicContact CD1-CG 4.09Å; L180-P186 HydrophobicContact CD2-CB 4.36Å; L180-P186 HydrophobicContact CD2-CG 4.07Å; P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 HydrophobicContact CB-CG 4.23Å; P186-E188 WeakPolarHBondContact CB-OE1 3.42Å; P186-E188 VanDerWaalsContact CB-OE2 3.28Å; P186-E188 WeakPolarHBondContact CB-OE2 3.47Å; P186-E188 PolarHBondContact O-N 3.46Å; P186-T189 WeakPolarHBondContact O-CB 3.42Å; P186-T189 PolarHBondContact O-N 3.35Å; P186-K190 PolarHBondContact O-N 2.67Å; P186-K190 VanDerWaalsContact O-N 3.09Å
187W97.8Very high97.7Very high4 Ų446.9 Ų46.92%0.01524%0.242CC..Hα-helixtrans-64.3-36.6-175.768.1-97.6000111.6T189 K190 V191 L217 F218 N219 Y258 M264 V266W187-T189 VanDerWaalsContact C-N 3.3Å; W187-T189 PolarHBondContact O-N 2.88Å; W187-K190 WeakPolarHBondContact O-CB 3.12Å; W187-K190 PolarHBondContact O-N 2.85Å; W187-K190 VanDerWaalsContact O-N 3.16Å; W187-V191 HydrophobicContact CE3-CG2 4.01Å; W187-V191 HydrophobicContact CZ3-CG2 4.33Å; W187-V191 WeakPolarHBondContact O-CG2 3.28Å; W187-V191 PolarHBondContact O-N 3.29Å; W187-L217 WeakPolarHBondContact CA-O 3.44Å; W187-L217 WeakPolarHBondContact CB-O 3.2Å; W187-F218 HydrophobicContact CE3-CD1 4.3Å; W187-F218 HydrophobicContact CE3-CE1 4.5Å; W187-N219 PolarHBondContact N-ND2 3.41Å; W187-Y258 AromaticContact CD1-CE1 3.64Å; W187-Y258 AromaticContact CD1-CZ 3.45Å; W187-Y258 VanDerWaalsContact CD1-CZ 3.45Å; W187-Y258 PolarHBondContact NE1-O 3.32Å; W187-M264 HydrophobicContact CE3-SD 4.39Å; W187-M264 HydrophobicContact CH2-CB 4.12Å; W187-M264 HydrophobicContact CH2-CG 3.83Å; W187-M264 HydrophobicContact CH2-SD 3.95Å; W187-M264 HydrophobicContact CZ3-CG 3.91Å; W187-M264 HydrophobicContact CZ3-SD 3.45Å; W187-M264 WeakPolarHBondContact CZ3-SD 3.19Å; W187-V266 HydrophobicContact CE3-CG2 4.4Å; W187-V266 HydrophobicContact CH2-CG2 3.85Å; W187-V266 HydrophobicContact CZ3-CG2 3.76Å
188E97.2Very high97.8Very high63 Ų6342.8 Ų42.829%0.29422%0.223SC..Hα-helixtrans-63.5-37.817861.3-86.3-153.500111.3P186 V191 L192 M264P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 HydrophobicContact CB-CG 4.23Å; P186-E188 WeakPolarHBondContact CB-OE1 3.42Å; P186-E188 VanDerWaalsContact CB-OE2 3.28Å; P186-E188 WeakPolarHBondContact CB-OE2 3.47Å; P186-E188 PolarHBondContact O-N 3.46Å; E188-V191 PolarHBondContact O-N 2.94Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 3Å; E188-M264 HydrophobicContact CB-SD 4.36Å
189T97.5Very high97.8Very high58 Ų5848.9 Ų48.936%0.35625%0.249SC..Hα-helixtrans-67.4-42.1174.2-56.40000110.7V185 P186 W187 V191 L192 M193V185-T189 HydrophobicContact CG1-CG2 3.82Å; P186-T189 WeakPolarHBondContact O-CB 3.42Å; P186-T189 PolarHBondContact O-N 3.35Å; W187-T189 VanDerWaalsContact C-N 3.3Å; W187-T189 PolarHBondContact O-N 2.88Å; T189-V191 VanDerWaalsContact C-N 3.35Å; T189-V191 PolarHBondContact O-N 3.41Å; T189-L192 PolarHBondContact O-N 2.69Å; T189-M193 HydrophobicContact CG2-SD 4.35Å; T189-M193 VanDerWaalsContact O-CG 3.3Å; T189-M193 WeakPolarHBondContact O-CG 3.33Å; T189-M193 PolarHBondContact O-N 3.37Å
190K98.2Very high97.8Very high2 Ų251.3 Ų51.31%0.00927%0.266CS..Hα-helixtrans-60.9-43.2175.1-66.4178.3173.1-173.10111.5V185 P186 W187 L192 M193 V194 W216 L217 N219V185-K190 HydrophobicContact CB-CG 4.37Å; V185-K190 HydrophobicContact CG1-CG 3.93Å; P186-K190 PolarHBondContact O-N 2.67Å; P186-K190 VanDerWaalsContact O-N 3.09Å; W187-K190 WeakPolarHBondContact O-CB 3.12Å; W187-K190 PolarHBondContact O-N 2.85Å; W187-K190 VanDerWaalsContact O-N 3.16Å; K190-L192 VanDerWaalsContact C-N 3.35Å; K190-L192 PolarHBondContact O-N 2.81Å; K190-M193 WeakPolarHBondContact O-CB 3.26Å; K190-M193 PolarHBondContact O-N 3.07Å; K190-V194 WeakPolarHBondContact O-CG2 3.27Å; K190-V194 PolarHBondContact O-N 2.7Å; K190-W216 HydrophobicContact CB-CH2 4.21Å; K190-W216 HydrophobicContact CB-CZ3 4.04Å; K190-W216 HydrophobicContact CD-CD2 4.15Å; K190-W216 HydrophobicContact CD-CE3 4.03Å; K190-W216 HydrophobicContact CD-CH2 3.84Å; K190-W216 HydrophobicContact CD-CZ2 3.95Å; K190-W216 HydrophobicContact CD-CZ3 3.87Å; K190-W216 WeakPolarHBondContact CD-O 3.49Å; K190-W216 HydrophobicContact CG-CH2 3.84Å; K190-W216 HydrophobicContact CG-CZ2 4.28Å; K190-W216 HydrophobicContact CG-CZ3 4.08Å; K190-W216 PolarHBondContact NZ-O 2.82Å; K190-L217 HydrophobicContact CB-CD1 3.96Å; K190-N219 PolarHBondContact NZ-OD1 3.09Å
191V98.3Very high97.7Very high0 Ų049.2 Ų49.20%026%0.257CS..Hα-helixtrans-58.8-45.9174.6169.40000111.2W187 E188 T189 M193 V194 Q195 L217 L237 V242 M264W187-V191 HydrophobicContact CE3-CG2 4.01Å; W187-V191 HydrophobicContact CZ3-CG2 4.33Å; W187-V191 WeakPolarHBondContact O-CG2 3.28Å; W187-V191 PolarHBondContact O-N 3.29Å; E188-V191 PolarHBondContact O-N 2.94Å; T189-V191 VanDerWaalsContact C-N 3.35Å; T189-V191 PolarHBondContact O-N 3.41Å; V191-M193 VanDerWaalsContact C-N 3.34Å; V191-M193 PolarHBondContact O-N 3.16Å; V191-V194 PolarHBondContact O-N 2.58Å; V191-Q195 HydrophobicContact CG1-CG 4.29Å; V191-Q195 WeakPolarHBondContact O-CG 2.98Å; V191-Q195 PolarHBondContact O-N 2.73Å; V191-L217 HydrophobicContact CG2-CD1 3.87Å; V191-L217 HydrophobicContact CG2-CD2 4.35Å; V191-L217 HydrophobicContact CG2-CG 4.09Å; V191-L237 HydrophobicContact CG1-CD2 4.18Å; V191-V242 HydrophobicContact CG1-CG2 3.83Å; V191-M264 HydrophobicContact CB-CE 4.47Å; V191-M264 HydrophobicContact CB-SD 4.06Å; V191-M264 HydrophobicContact CG1-CE 3.89Å; V191-M264 HydrophobicContact CG1-SD 3.74Å; V191-M264 HydrophobicContact CG2-SD 4.47Å
192L97.5Very high97.7Very high97 Ų9751 Ų5151%0.50826%0.262SS..Hα-helixtrans-61.4-41.1177.7-69.8170.7000112.2E188 T189 K190 V194 Q195 E196 M264E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 3Å; T189-L192 PolarHBondContact O-N 2.69Å; K190-L192 VanDerWaalsContact C-N 3.35Å; K190-L192 PolarHBondContact O-N 2.81Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 3.42Å; L192-Q195 PolarHBondContact O-N 3.14Å; L192-E196 WeakPolarHBondContact O-CB 3.45Å; L192-E196 PolarHBondContact O-N 3.49Å; L192-M264 HydrophobicContact CD2-CE 4.18Å; L192-M264 HydrophobicContact CG-CE 4.36Å
193M97.7Very high97.7Very high80 Ų8050.2 Ų50.239%0.39426%0.259SS..Hα-helixtrans-60.8-42.5175-68166.963.300111.8T189 K190 V191 E196 K197 M319T189-M193 HydrophobicContact CG2-SD 4.35Å; T189-M193 VanDerWaalsContact O-CG 3.3Å; T189-M193 WeakPolarHBondContact O-CG 3.33Å; T189-M193 PolarHBondContact O-N 3.37Å; K190-M193 WeakPolarHBondContact O-CB 3.26Å; K190-M193 PolarHBondContact O-N 3.07Å; V191-M193 VanDerWaalsContact C-N 3.34Å; V191-M193 PolarHBondContact O-N 3.16Å; M193-E196 PolarHBondContact O-N 2.9Å; M193-K197 PolarHBondContact O-N 2.9Å; M193-K197 VanDerWaalsContact O-N 3.12Å; M193-M319 HydrophobicContact CB-CE 4.31Å; M193-M319 HydrophobicContact CB-SD 4.38Å
194V98.3Very high97.7Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-66.4-44.7176.7175.30000111.1K190 V191 L192 E196 K197 M198 L206 L217 L237 P315 V316 M319K190-V194 WeakPolarHBondContact O-CG2 3.27Å; K190-V194 PolarHBondContact O-N 2.7Å; V191-V194 PolarHBondContact O-N 2.58Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 3.42Å; V194-E196 VanDerWaalsContact C-N 3.3Å; V194-E196 PolarHBondContact O-N 2.92Å; V194-K197 WeakPolarHBondContact O-CB 3.15Å; V194-K197 PolarHBondContact O-N 3.5Å; V194-K197 VanDerWaalsContact O-N 3.12Å; V194-M198 HydrophobicContact CG1-SD 4.27Å; V194-M198 WeakPolarHBondContact O-CG 3.34Å; V194-M198 PolarHBondContact O-N 3.42Å; V194-L206 HydrophobicContact CG1-CD2 3.55Å; V194-L217 HydrophobicContact CG2-CD1 4.03Å; V194-L237 HydrophobicContact CB-CD1 4.1Å; V194-L237 HydrophobicContact CG1-CD1 3.51Å; V194-P315 HydrophobicContact CG1-CG 4.07Å; V194-V316 HydrophobicContact CG2-CG2 3.85Å; V194-M319 HydrophobicContact CG2-CE 4.48Å; V194-M319 HydrophobicContact CG2-SD 3.8Å
195Q97.9Very high97.7Very high11 Ų1152 Ų525%0.05126%0.261CS..Hα-helixtrans-61.6-36.5176.1-74175.8-30.400112.3V191 L192 M198 K199 T238V191-Q195 HydrophobicContact CG1-CG 4.29Å; V191-Q195 WeakPolarHBondContact O-CG 2.98Å; V191-Q195 PolarHBondContact O-N 2.73Å; L192-Q195 PolarHBondContact O-N 3.14Å; Q195-M198 HydrophobicContact CG-SD 4.45Å; Q195-M198 WeakPolarHBondContact O-CB 3.29Å; Q195-M198 PolarHBondContact O-N 3.2Å; Q195-K199 WeakPolarHBondContact O-CG 3.11Å; Q195-K199 PolarHBondContact O-N 2.96Å; Q195-T238 PolarHBondContact NE2-O 2.66Å
196E97.7Very high97.8Very high142 Ų14250.2 Ų50.266%0.66425%0.251SS*.Hα-helixtrans-64.2-41.5173.5-175.5163.5-161.600111.7L192 M193 V194 M198 K199 S200L192-E196 WeakPolarHBondContact O-CB 3.45Å; L192-E196 PolarHBondContact O-N 3.49Å; M193-E196 PolarHBondContact O-N 2.9Å; V194-E196 VanDerWaalsContact C-N 3.3Å; V194-E196 PolarHBondContact O-N 2.92Å; E196-M198 PolarHBondContact O-N 2.93Å; E196-K199 WeakPolarHBondContact O-CB 2.92Å; E196-K199 PolarHBondContact O-N 3.35Å; E196-S200 PolarHBondContact O-N 3.02Å; E196-S200 VanDerWaalsContact O-N 3.1Å
197K97Very high97.8Very high88 Ų8848.5 Ų48.538%0.38324%0.24SC..Hα-helixtrans-64.6-39.9174.1-170.859.3179.1-177.70111.8M193 V194 K199 S200 V201 W291 P315 M319M193-K197 PolarHBondContact O-N 2.9Å; M193-K197 VanDerWaalsContact O-N 3.12Å; V194-K197 WeakPolarHBondContact O-CB 3.15Å; V194-K197 PolarHBondContact O-N 3.5Å; V194-K197 VanDerWaalsContact O-N 3.12Å; K197-K199 PolarHBondContact O-N 3.35Å; K197-S200 WeakPolarHBondContact O-CB 3.3Å; K197-S200 PolarHBondContact O-N 3.09Å; K197-S200 PolarHBondContact O-OG 3.11Å; K197-V201 PolarHBondContact O-N 3.31Å; K197-W291 HydrophobicContact CG-CH2 4.04Å; K197-W291 HydrophobicContact CG-CZ3 4.07Å; K197-P315 HydrophobicContact CB-CB 4.08Å; K197-P315 HydrophobicContact CG-CB 3.52Å; K197-P315 HydrophobicContact CG-CG 4.43Å; K197-M319 HydrophobicContact CB-CE 3.95Å; K197-M319 HydrophobicContact CG-CE 4.44Å
198M98.3Very high97.8Very high0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-57.1-46.4172.8-69.6168.154.300111.7V194 Q195 E196 S200 V201 K202 A203 L206 L237 W291V194-M198 HydrophobicContact CG1-SD 4.27Å; V194-M198 WeakPolarHBondContact O-CG 3.34Å; V194-M198 PolarHBondContact O-N 3.42Å; Q195-M198 HydrophobicContact CG-SD 4.45Å; Q195-M198 WeakPolarHBondContact O-CB 3.29Å; Q195-M198 PolarHBondContact O-N 3.2Å; E196-M198 PolarHBondContact O-N 2.93Å; M198-S200 VanDerWaalsContact C-N 3.31Å; M198-S200 PolarHBondContact O-N 3.43Å; M198-V201 CarbonylContact O-C 3.46Å; M198-V201 VanDerWaalsContact O-CG2 3.31Å; M198-V201 WeakPolarHBondContact O-CG2 3.39Å; M198-V201 PolarHBondContact O-N 3.42Å; M198-K202 PolarHBondContact O-N 3.2Å; M198-A203 HydrophobicContact CB-CB 4.3Å; M198-A203 PolarHBondContact O-N 2.88Å; M198-L206 HydrophobicContact CE-CB 4.22Å; M198-L206 HydrophobicContact CG-CB 4.1Å; M198-L206 HydrophobicContact SD-CB 3.72Å; M198-L206 HydrophobicContact SD-CD2 4.48Å; M198-L237 HydrophobicContact SD-CB 4.02Å; M198-W291 HydrophobicContact CG-CE3 4.29Å
199K97.9Very high97.9Very high128 Ų12845.5 Ų45.556%0.55723%0.226SC*.Hα-helixtrans-59.1-40.3176.4-71.5168.8-174.31700112.4Q195 E196 K197 V201 K202Q195-K199 WeakPolarHBondContact O-CG 3.11Å; Q195-K199 PolarHBondContact O-N 2.96Å; E196-K199 WeakPolarHBondContact O-CB 2.92Å; E196-K199 PolarHBondContact O-N 3.35Å; K197-K199 PolarHBondContact O-N 3.35Å; K199-V201 PolarHBondContact O-N 3.01Å; K199-K202 PolarHBondContact O-N 2.96Å
200S96.8Very high97.8Very high80 Ų8043.3 Ų43.356%0.55921%0.214SC*.Hα-helixtrans-61-29.9179.779.70000113.6E196 K197 M198E196-S200 PolarHBondContact O-N 3.02Å; E196-S200 VanDerWaalsContact O-N 3.1Å; K197-S200 WeakPolarHBondContact O-CB 3.3Å; K197-S200 PolarHBondContact O-N 3.09Å; K197-S200 PolarHBondContact O-OG 3.11Å; M198-S200 VanDerWaalsContact C-N 3.31Å; M198-S200 PolarHBondContact O-N 3.43Å
201V96.5Very high97.8Very high35 Ų3543.4 Ų43.421%0.21222%0.215CC..THydrogen-bonded Turntrans-103.39176.2-59.40000112.8K197 M198 K199 A203 R289 W291 F310K197-V201 PolarHBondContact O-N 3.31Å; M198-V201 CarbonylContact O-C 3.46Å; M198-V201 VanDerWaalsContact O-CG2 3.31Å; M198-V201 WeakPolarHBondContact O-CG2 3.39Å; M198-V201 PolarHBondContact O-N 3.42Å; K199-V201 PolarHBondContact O-N 3.01Å; V201-A203 HydrophobicContact CG2-CB 3.9Å; V201-A203 PolarHBondContact O-N 2.93Å; V201-R289 VanDerWaalsContact O-CD 3.26Å; V201-R289 WeakPolarHBondContact O-CD 3.18Å; V201-W291 HydrophobicContact CG2-CE3 3.75Å; V201-W291 HydrophobicContact CG2-CH2 4.28Å; V201-W291 HydrophobicContact CG2-CZ3 3.64Å; V201-F310 HydrophobicContact CB-CE1 4.05Å; V201-F310 HydrophobicContact CB-CZ 4.32Å; V201-F310 HydrophobicContact CG1-CE1 4.48Å; V201-F310 HydrophobicContact CG2-CD1 4.48Å; V201-F310 HydrophobicContact CG2-CE1 3.91Å
202K97.5Very high97.7Very high169 Ų16944.5 Ų44.574%0.73522%0.221SC*.THydrogen-bonded Turntrans5727-178.3-52.5176.1-179177.30113.6M198 K199 R289M198-K202 PolarHBondContact O-N 3.2Å; K199-K202 PolarHBondContact O-N 2.96Å; K202-R289 WeakPolarHBondContact O-CB 3.44Å; K202-R289 WeakPolarHBondContact O-CD 3.38Å
203A98.1Very high97.8Very high2 Ų240 Ų402%0.01720%0.197CC..  trans-79129173.900000109.3M198 V201 R289 W291M198-A203 HydrophobicContact CB-CB 4.3Å; M198-A203 PolarHBondContact O-N 2.88Å; V201-A203 HydrophobicContact CG2-CB 3.9Å; V201-A203 PolarHBondContact O-N 2.93Å; A203-R289 HydrophobicContact CB-CG 4.3Å; A203-W291 HydrophobicContact CB-CB 3.98Å; A203-W291 HydrophobicContact CB-CE3 4.34Å
204Q98.2Very high97.8Very high59 Ų5936.2 Ų36.228%0.27618%0.178SC..SBendtrans-91.5-18.1178.2-67.1167.5-82.300112.1T238 D286 R289Q204-T238 WeakPolarHBondContact O-CA 3.3Å; Q204-D286 PolarHBondContact NE2-O 2.69Å; Q204-R289 PolarHBondContact N-O 3.43Å
205A98.6Very high97.8Very high1 Ų136.2 Ų36.21%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-144.3154.7170.400000111.7L237 T238 L281 R289 I290 W291A205-L237 CarbonylContact C-O 3.58Å; A205-L237 WeakPolarHBondContact CA-O 3.33Å; A205-L237 WeakPolarHBondContact CB-O 3.5Å; A205-T238 HydrophobicContact CB-CG2 4.24Å; A205-L281 HydrophobicContact CB-CD2 3.71Å; A205-R289 PolarHBondContact N-O 3.05Å; A205-I290 HydrophobicContact CB-CG1 4.26Å; A205-I290 HydrophobicContact CB-CG2 4.25Å; A205-I290 WeakPolarHBondContact O-CA 3.46Å; A205-W291 PolarHBondContact O-N 3.28Å
206L98.7Very high97.9Very high0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-129.2129.9171.5169.565.9000108.7V194 M198 I208 I236 L237 W291 P293 P315V194-L206 HydrophobicContact CG1-CD2 3.55Å; M198-L206 HydrophobicContact CE-CB 4.22Å; M198-L206 HydrophobicContact CG-CB 4.1Å; M198-L206 HydrophobicContact SD-CB 3.72Å; M198-L206 HydrophobicContact SD-CD2 4.48Å; L206-I208 HydrophobicContact CD2-CD1 4.15Å; L206-I208 HydrophobicContact CD2-CG1 3.91Å; L206-I208 HydrophobicContact CG-CG1 3.95Å; L206-I236 WeakPolarHBondContact O-CA 3.4Å; L206-L237 PolarHBondContact N-O 3.32Å; L206-L237 PolarHBondContact O-N 3.42Å; L206-W291 HydrophobicContact CB-CB 4.34Å; L206-W291 HydrophobicContact CD1-CB 3.75Å; L206-W291 HydrophobicContact CD1-CD2 3.9Å; L206-W291 HydrophobicContact CD1-CE3 4.3Å; L206-W291 HydrophobicContact CD1-CG 3.63Å; L206-P293 HydrophobicContact CD1-CG 4.41Å; L206-P315 HydrophobicContact CD2-CG 3.72Å
207L98.7Very high97.9Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-90.8127.6164.8176.368.2000109.1I236 V274 L278 W291 I292 P293 T296 L300L207-I236 HydrophobicContact CD1-CG1 3.94Å; L207-V274 HydrophobicContact CD1-CG2 4.27Å; L207-L278 HydrophobicContact CD2-CD2 3.97Å; L207-W291 PolarHBondContact N-O 2.85Å; L207-I292 HydrophobicContact CB-CD1 3.61Å; L207-I292 HydrophobicContact CD2-CD1 3.9Å; L207-I292 HydrophobicContact CG-CD1 4.44Å; L207-P293 WeakPolarHBondContact O-CD 3.48Å; L207-T296 HydrophobicContact CD2-CG2 3.63Å; L207-L300 HydrophobicContact CD2-CB 3.9Å; L207-L300 HydrophobicContact CD2-CD1 4.03Å
208I98.4Very high98Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-110.7113.7169.7-55.7172.8000107.2L206 E213 V214 L217 C235 L237 V316L206-I208 HydrophobicContact CD2-CD1 4.15Å; L206-I208 HydrophobicContact CD2-CG1 3.91Å; L206-I208 HydrophobicContact CG-CG1 3.95Å; I208-E213 HydrophobicContact CG2-CB 3.49Å; I208-E213 VanDerWaalsContact CG2-CB 3.49Å; I208-V214 HydrophobicContact CB-CG2 4.37Å; I208-V214 HydrophobicContact CG2-CG2 3.76Å; I208-L217 HydrophobicContact CD1-CD2 3.67Å; I208-C235 HydrophobicContact CB-CB 4.13Å; I208-C235 HydrophobicContact CD1-CB 4.43Å; I208-C235 PolarHBondContact N-O 2.82Å; I208-C235 PolarHBondContact O-N 3.3Å; I208-L237 HydrophobicContact CD1-CD1 3.99Å; I208-V316 HydrophobicContact CD1-CG2 4.01Å
209S97.3Very high98Very high3 Ų325.2 Ų25.22%0.02113%0.128CC..  trans-108.4-19.4-179.256.80000114.4H38 T296H38-S209 WeakPolarHBondContact CB-O 3.36Å; H38-S209 PolarHBondContact ND1-O 3.21Å; S209-T296 PolarHBondContact OG-OG1 3.17Å
210A96.1Very high98Very high12 Ų1219.3 Ų19.310%0.09910%0.102CC..  trans-76130.9178.100000110.5D212 E213 V214A210-D212 WeakPolarHBondContact CB-OD1 3.49Å; A210-D212 PolarHBondContact O-N 3.27Å; A210-E213 HydrophobicContact CB-CB 4.26Å; A210-E213 HydrophobicContact CB-CG 3.96Å; A210-E213 PolarHBondContact O-N 3.02Å; A210-V214 PolarHBondContact O-N 2.89Å; A210-V214 VanDerWaalsContact O-N 3.17Å
211L97.8Very high98.1Very high5 Ų515.5 Ų15.53%0.0268%0.076CC..Hα-helixtrans-66.8-36.9-171.9-60.1-173.3000113.1H38 E213 V214 A215 I225 V230 F231 F232H38-L211 HydrophobicContact CB-CD1 4.26Å; H38-L211 HydrophobicContact CB-CD2 3.84Å; H38-L211 HydrophobicContact CB-CG 3.67Å; H38-L211 VanDerWaalsContact CE1-CD2 3.48Å; H38-L211 WeakPolarHBondContact CE1-CD2 3.22Å; H38-L211 WeakPolarHBondContact ND1-CD2 3.42Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-V214 PolarHBondContact O-N 3.26Å; L211-A215 VanDerWaalsContact O-CB 3.29Å; L211-A215 WeakPolarHBondContact O-CB 3.28Å; L211-A215 PolarHBondContact O-N 3.19Å; L211-I225 HydrophobicContact CD1-CD1 4.38Å; L211-I225 HydrophobicContact CD1-CG1 3.92Å; L211-V230 HydrophobicContact CB-CB 3.82Å; L211-V230 HydrophobicContact CB-CG1 4.28Å; L211-V230 HydrophobicContact CB-CG2 3.87Å; L211-V230 HydrophobicContact CD1-CG2 3.89Å; L211-F231 WeakPolarHBondContact CD2-O 3.38Å; L211-F232 HydrophobicContact CD1-CD1 4.21Å; L211-F232 HydrophobicContact CD1-CE1 4.42Å
212D97.4Very high98.1Very high23 Ų2314 Ų1412%0.1237%0.067CC..Hα-helixtrans-67.1-34.8177.563.1-42.5000112A210 W216 V230 K320 L498 V499A210-D212 WeakPolarHBondContact CB-OD1 3.49Å; A210-D212 PolarHBondContact O-N 3.27Å; D212-W216 VanDerWaalsContact O-CB 3.27Å; D212-W216 WeakPolarHBondContact O-CB 3.39Å; D212-W216 PolarHBondContact O-N 2.81Å; D212-V230 HydrophobicContact CB-CG1 4.3Å; D212-K320 WeakPolarHBondContact OD2-CE 3.5Å; D212-K320 IonicContact OD2-NZ 3.55Å; D212-K320 PolarHBondContact OD2-NZ 3.16Å; D212-L498 HydrophobicContact CB-CD2 4.17Å; D212-V499 HydrophobicContact CB-CG1 4.08Å; D212-V499 HydrophobicContact CB-CG2 4.23Å
213E98.1Very high98.1Very high2 Ų29.3 Ų9.31%0.0096%0.056CC..Hα-helixtrans-68.1-43.3173.5-66.9-175.5-156.500112.5I208 A210 L211 W216 L217 S314 V316 L317 K320I208-E213 HydrophobicContact CG2-CB 3.49Å; I208-E213 VanDerWaalsContact CG2-CB 3.49Å; A210-E213 HydrophobicContact CB-CB 4.26Å; A210-E213 HydrophobicContact CB-CG 3.96Å; A210-E213 PolarHBondContact O-N 3.02Å; L211-E213 VanDerWaalsContact C-N 3.34Å; E213-W216 PolarHBondContact O-N 3.1Å; E213-L217 VanDerWaalsContact O-CB 3.26Å; E213-L217 WeakPolarHBondContact O-CB 3.38Å; E213-L217 PolarHBondContact O-N 2.86Å; E213-S314 WeakPolarHBondContact OE1-CB 3.21Å; E213-S314 WeakPolarHBondContact OE2-CB 3.26Å; E213-S314 PolarHBondContact OE2-OG 2.69Å; E213-V316 HydrophobicContact CB-CB 4.16Å; E213-V316 HydrophobicContact CB-CG1 3.78Å; E213-V316 HydrophobicContact CG-CB 3.98Å; E213-V316 HydrophobicContact CG-CG1 3.8Å; E213-L317 WeakPolarHBondContact OE1-CD2 3.33Å; E213-L317 VanDerWaalsContact OE1-CG 3.27Å; E213-L317 WeakPolarHBondContact OE1-CG 3.39Å; E213-K320 HydrophobicContact CG-CD 4.48Å
214V98.6Very high98Very high0 Ų09.3 Ų9.30%06%0.055CC..Hα-helixtrans-61.6-46.7174.7178.40000110.1I208 A210 L211 W216 L217 F218 F231 A233 C235 L244I208-V214 HydrophobicContact CB-CG2 4.37Å; I208-V214 HydrophobicContact CG2-CG2 3.76Å; A210-V214 PolarHBondContact O-N 2.89Å; A210-V214 VanDerWaalsContact O-N 3.17Å; L211-V214 PolarHBondContact O-N 3.26Å; V214-W216 PolarHBondContact O-N 3.44Å; V214-L217 PolarHBondContact O-N 2.88Å; V214-F218 HydrophobicContact CG1-CD2 3.87Å; V214-F218 HydrophobicContact CG1-CE2 4.06Å; V214-F218 VanDerWaalsContact O-CD2 3.27Å; V214-F218 WeakPolarHBondContact O-CD2 3.34Å; V214-F218 PolarHBondContact O-N 3.1Å; V214-F231 HydrophobicContact CG1-CE2 4.16Å; V214-F231 HydrophobicContact CG1-CZ 4.12Å; V214-A233 HydrophobicContact CG1-CB 3.85Å; V214-C235 HydrophobicContact CG2-CB 4.29Å; V214-L244 HydrophobicContact CG1-CD1 3.7Å
215A98.6Very high97.9Very high0 Ų06.7 Ų6.70%04%0.043CC..Hα-helixtrans-59.8-45.6177.200000112.5L211 N219 V220 R221 V230 F231 L498L211-A215 VanDerWaalsContact O-CB 3.29Å; L211-A215 WeakPolarHBondContact O-CB 3.28Å; L211-A215 PolarHBondContact O-N 3.19Å; A215-N219 PolarHBondContact O-N 3.5Å; A215-N219 VanDerWaalsContact O-N 3.15Å; A215-V220 CarbonylContact C-O 3.16Å; A215-V220 WeakPolarHBondContact CA-O 3.33Å; A215-V220 WeakPolarHBondContact CB-O 3.32Å; A215-V220 PolarHBondContact O-N 2.6Å; A215-V220 VanDerWaalsContact O-N 3.09Å; A215-R221 PolarHBondContact O-NH1 2.84Å; A215-V230 HydrophobicContact CB-CG1 4.14Å; A215-F231 HydrophobicContact CB-CE1 4.1Å; A215-L498 HydrophobicContact CB-CD2 3.78Å
216W98.7Very high97.6Very high11 Ų118.7 Ų8.74%0.0426%0.056CC..Hα-helixtrans-65.2-44178.3-179.288.3000112.6K190 D212 E213 V214 F218 N219 V316 M319 K320 L498K190-W216 HydrophobicContact CB-CH2 4.21Å; K190-W216 HydrophobicContact CB-CZ3 4.04Å; K190-W216 HydrophobicContact CD-CD2 4.15Å; K190-W216 HydrophobicContact CD-CE3 4.03Å; K190-W216 HydrophobicContact CD-CH2 3.84Å; K190-W216 HydrophobicContact CD-CZ2 3.95Å; K190-W216 HydrophobicContact CD-CZ3 3.87Å; K190-W216 WeakPolarHBondContact CD-O 3.49Å; K190-W216 HydrophobicContact CG-CH2 3.84Å; K190-W216 HydrophobicContact CG-CZ2 4.28Å; K190-W216 HydrophobicContact CG-CZ3 4.08Å; K190-W216 PolarHBondContact NZ-O 2.82Å; D212-W216 VanDerWaalsContact O-CB 3.27Å; D212-W216 WeakPolarHBondContact O-CB 3.39Å; D212-W216 PolarHBondContact O-N 2.81Å; E213-W216 PolarHBondContact O-N 3.1Å; V214-W216 PolarHBondContact O-N 3.44Å; W216-F218 VanDerWaalsContact C-N 3.33Å; W216-F218 PolarHBondContact O-N 2.93Å; W216-N219 PolarHBondContact O-N 2.66Å; W216-N219 PolarHBondContact O-OD1 2.93Å; W216-V316 HydrophobicContact CD2-CG1 4.34Å; W216-V316 HydrophobicContact CE3-CG1 3.53Å; W216-V316 HydrophobicContact CZ3-CG1 3.93Å; W216-M319 HydrophobicContact CH2-CB 3.77Å; W216-M319 HydrophobicContact CZ2-CB 4.32Å; W216-M319 HydrophobicContact CZ3-CB 4.3Å; W216-K320 HydrophobicContact CB-CD 4.29Å; W216-K320 HydrophobicContact CD2-CB 3.74Å; W216-K320 HydrophobicContact CG-CB 3.71Å; W216-K320 HydrophobicContact CG-CD 4.35Å; W216-K320 HydrophobicContact CZ2-CB 4.31Å; W216-L498 HydrophobicContact CB-CD1 3.96Å; W216-L498 HydrophobicContact CG-CD1 4.48Å
217L98.7Very high97.4Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-60.6-44.5-176.8-179.765.4000111.2W187 K190 V191 V194 I208 E213 V214 L237W187-L217 WeakPolarHBondContact CA-O 3.44Å; W187-L217 WeakPolarHBondContact CB-O 3.2Å; K190-L217 HydrophobicContact CB-CD1 3.96Å; V191-L217 HydrophobicContact CG2-CD1 3.87Å; V191-L217 HydrophobicContact CG2-CD2 4.35Å; V191-L217 HydrophobicContact CG2-CG 4.09Å; V194-L217 HydrophobicContact CG2-CD1 4.03Å; I208-L217 HydrophobicContact CD1-CD2 3.67Å; E213-L217 VanDerWaalsContact O-CB 3.26Å; E213-L217 WeakPolarHBondContact O-CB 3.38Å; E213-L217 PolarHBondContact O-N 2.86Å; V214-L217 PolarHBondContact O-N 2.88Å; L217-L237 HydrophobicContact CD2-CD1 3.96Å; L217-L237 HydrophobicContact CD2-CD2 4.43Å; L217-L237 HydrophobicContact CD2-CG 4.49Å
218F98.5Very high97.3Very high0 Ų012.2 Ų12.20%07%0.07CC..Hα-helixtrans-90.8-2.9-175.9-66.6-63.4000114.5W187 V214 W216 V220 C235 V242 L244 Y258 L259 V266W187-F218 HydrophobicContact CE3-CD1 4.3Å; W187-F218 HydrophobicContact CE3-CE1 4.5Å; V214-F218 HydrophobicContact CG1-CD2 3.87Å; V214-F218 HydrophobicContact CG1-CE2 4.06Å; V214-F218 VanDerWaalsContact O-CD2 3.27Å; V214-F218 WeakPolarHBondContact O-CD2 3.34Å; V214-F218 PolarHBondContact O-N 3.1Å; W216-F218 VanDerWaalsContact C-N 3.33Å; W216-F218 PolarHBondContact O-N 2.93Å; F218-V220 HydrophobicContact CB-CB 4.38Å; F218-V220 HydrophobicContact CB-CG2 3.88Å; F218-V220 WeakPolarHBondContact O-CG2 3.12Å; F218-V220 PolarHBondContact O-N 3.17Å; F218-C235 HydrophobicContact CE2-CB 4.04Å; F218-C235 HydrophobicContact CZ-CB 4.43Å; F218-V242 HydrophobicContact CE1-CG1 3.64Å; F218-V242 HydrophobicContact CZ-CG1 3.59Å; F218-L244 HydrophobicContact CD2-CD1 4.2Å; F218-L244 HydrophobicContact CE2-CD1 3.84Å; F218-Y258 WeakPolarHBondContact O-CE1 3.33Å; F218-L259 HydrophobicContact CB-CD2 4.21Å; F218-L259 HydrophobicContact CD1-CD2 3.98Å; F218-L259 HydrophobicContact CG-CD2 4.37Å; F218-V266 HydrophobicContact CD1-CG2 4.2Å; F218-V266 HydrophobicContact CE1-CG1 4.24Å; F218-V266 HydrophobicContact CE1-CG2 3.68Å; F218-V266 HydrophobicContact CZ-CG1 4.42Å
219N98.6Very high97.3Very high0 Ų012.7 Ų12.70%07%0.074CC..THydrogen-bonded Turntrans50.243.9-168-66.5-31.1000111.7H178 A183 V185 W187 K190 A215 W216H178-N219 HydrophobicContact CB-CB 4.41Å; H178-N219 PolarHBondContact N-O 3.49Å; A183-N219 WeakPolarHBondContact CB-OD1 3.18Å; V185-N219 PolarHBondContact O-ND2 2.65Å; W187-N219 PolarHBondContact N-ND2 3.41Å; K190-N219 PolarHBondContact NZ-OD1 3.09Å; A215-N219 PolarHBondContact O-N 3.5Å; A215-N219 VanDerWaalsContact O-N 3.15Å; W216-N219 PolarHBondContact O-N 2.66Å; W216-N219 PolarHBondContact O-OD1 2.93Å
220V98.5Very high97.3Very high3 Ų312.7 Ų12.72%0.0187%0.074CC..EExtended strand (participates in β ladder)trans-119.7144.9176-178.40000107.8L175 F176 A215 F218 F231 L255 L259L175-V220 HydrophobicContact CB-CG1 4.21Å; F176-V220 WeakPolarHBondContact O-CA 3.45Å; A215-V220 CarbonylContact C-O 3.16Å; A215-V220 WeakPolarHBondContact CA-O 3.33Å; A215-V220 WeakPolarHBondContact CB-O 3.32Å; A215-V220 PolarHBondContact O-N 2.6Å; A215-V220 VanDerWaalsContact O-N 3.09Å; F218-V220 HydrophobicContact CB-CB 4.38Å; F218-V220 HydrophobicContact CB-CG2 3.88Å; F218-V220 WeakPolarHBondContact O-CG2 3.12Å; F218-V220 PolarHBondContact O-N 3.17Å; V220-F231 HydrophobicContact CB-CE1 3.75Å; V220-F231 HydrophobicContact CB-CZ 3.92Å; V220-F231 HydrophobicContact CG1-CD1 4.24Å; V220-F231 HydrophobicContact CG1-CE1 3.52Å; V220-F231 HydrophobicContact CG1-CZ 3.81Å; V220-L255 HydrophobicContact CG1-CD1 4.41Å; V220-L255 HydrophobicContact CG1-CD2 4.05Å; V220-L255 HydrophobicContact CG2-CD1 3.77Å; V220-L259 HydrophobicContact CG2-CD2 4.46Å
221R98.4Very high97.4Very high1 Ų112.2 Ų12.20%0.0047%0.069CC..EExtended strand (participates in β ladder)trans-126.3162.4173.7-64.7-60.9-179.9-78.5-4.9109.7L175 F176 H178 A215 P229 M496 C497L175-R221 WeakPolarHBondContact CA-O 3.32Å; F176-R221 HydrophobicContact CD1-CB 4.15Å; F176-R221 HydrophobicContact CD2-CB 4.12Å; F176-R221 HydrophobicContact CE1-CB 3.58Å; F176-R221 HydrophobicContact CE2-CB 3.55Å; F176-R221 HydrophobicContact CE2-CG 3.99Å; F176-R221 HydrophobicContact CG-CB 4.41Å; F176-R221 HydrophobicContact CZ-CB 3.26Å; F176-R221 HydrophobicContact CZ-CG 4Å; F176-R221 PolarHBondContact N-O 3.18Å; F176-R221 PolarHBondContact O-N 2.73Å; H178-R221 HydrophobicContact CB-CG 4.16Å; H178-R221 PolarHBondContact ND1-NH2 2.77Å; H178-R221 VanDerWaalsContact ND1-NH2 3.2Å; A215-R221 PolarHBondContact O-NH1 2.84Å; R221-P229 WeakPolarHBondContact CA-O 3.36Å; R221-P229 HydrophobicContact CB-CB 4.32Å; R221-P229 WeakPolarHBondContact CB-O 3.39Å; R221-P229 WeakPolarHBondContact CD-O 3.37Å; R221-M496 PolarHBondContact NH2-O 3.22Å; R221-M496 VanDerWaalsContact NH2-O 3.13Å; R221-C497 VanDerWaalsContact CD-O 3.25Å; R221-C497 WeakPolarHBondContact CD-O 3.02Å; R221-C497 PolarHBondContact NE-O 2.75Å
222G97.5Very high97.4Very high2 Ų212.2 Ų12.22%0.0217%0.069CC..  trans-144.1-165.9-179.900000111.9P229 V230G222-P229 PolarHBondContact N-O 2.62Å; G222-P229 CarbonylContact O-C 3.43Å; G222-P229 WeakPolarHBondContact O-CA 3.49Å; G222-V230 CarbonylContact C-O 3.3Å; G222-V230 VanDerWaalsContact C-O 3.25Å; G222-V230 WeakPolarHBondContact CA-O 3.43Å
223S96.2Very high97.4Very high72 Ų7211.1 Ų11.150%0.5036%0.063SC..  trans-145.329.3178.855.20000112.5G173 H174 V230G173-S223 VanDerWaalsContact CA-OG 3.22Å; G173-S223 WeakPolarHBondContact CA-OG 3.49Å; H174-S223 PolarHBondContact N-OG 3.43Å; S223-V230 PolarHBondContact N-O 3.22Å
224D96.4Very high97.5Very high2 Ų211.2 Ų11.21%0.0116%0.063CC..SBendtrans-74.4-33.9-178.6-69.2-8000112.2P171 G173 V230 F231 F232 K250P171-D224 HydrophobicContact CB-CB 3.96Å; P171-D224 WeakPolarHBondContact CB-O 3.4Å; P171-D224 VanDerWaalsContact CG-O 3.23Å; P171-D224 WeakPolarHBondContact CG-O 3.25Å; G173-D224 WeakPolarHBondContact CA-OD1 3.14Å; G173-D224 PolarHBondContact N-OD1 2.65Å; D224-V230 PolarHBondContact N-O 3.16Å; D224-V230 VanDerWaalsContact N-O 3.09Å; D224-F231 VanDerWaalsContact OD2-CA 3.23Å; D224-F231 WeakPolarHBondContact OD2-CA 3.28Å; D224-F232 HydrophobicContact CB-CD2 3.69Å; D224-F232 HydrophobicContact CB-CE2 3.71Å; D224-F232 VanDerWaalsContact OD2-CD2 3.3Å; D224-F232 WeakPolarHBondContact OD2-CD2 3.31Å; D224-F232 PolarHBondContact OD2-N 3.04Å; D224-K250 WeakPolarHBondContact OD1-CE 3.25Å; D224-K250 IonicContact OD1-NZ 3.31Å; D224-K250 PolarHBondContact OD1-NZ 2.97Å; D224-K250 IonicContact OD2-NZ 2.68Å; D224-K250 PolarHBondContact OD2-NZ 3Å
225I95.1Very high97.5Very high4 Ų411.2 Ų11.22%0.0216%0.063CC..BIsolated β-bridgetrans-99.9125.9178.2-58.4-57.8000108.4Y42 A44 L211 Y227 T228 V230 F232Y42-I225 WeakPolarHBondContact O-CG2 3.33Å; A44-I225 HydrophobicContact CB-CD1 4.21Å; L211-I225 HydrophobicContact CD1-CD1 4.38Å; L211-I225 HydrophobicContact CD1-CG1 3.92Å; I225-Y227 PolarHBondContact O-N 2.73Å; I225-T228 PolarHBondContact O-N 3.24Å; I225-V230 HydrophobicContact CB-CG2 3.89Å; I225-V230 HydrophobicContact CG1-CG2 3.69Å; I225-F232 HydrophobicContact CD1-CE1 4.02Å; I225-F232 HydrophobicContact CD1-CE2 4.5Å; I225-F232 HydrophobicContact CD1-CZ 3.74Å
226P92.7Very high97.5Very high42 Ų4211.6 Ų11.627%0.2737%0.066SC..THydrogen-bonded Turntrans-51.2135.8174.1-27.335.3000111.3T228P226-T228 PolarHBondContact O-N 3.24Å
227Y95.1Very high97.5Very high65 Ų6511.1 Ų11.126%0.2556%0.064SC..THydrogen-bonded Turntrans66.9-10.7177.3-37.4-68.1000116.8Y42 I225 P382 S383 E385 Q422Y42-Y227 HydrophobicContact CD1-CD2 4.48Å; I225-Y227 PolarHBondContact O-N 2.73Å; Y227-P382 WeakPolarHBondContact CA-O 3.42Å; Y227-P382 WeakPolarHBondContact CB-O 3.3Å; Y227-P382 HydrophobicContact CD1-CB 4.31Å; Y227-P382 HydrophobicContact CD1-CG 3.89Å; Y227-P382 HydrophobicContact CE1-CG 4.01Å; Y227-S383 VanDerWaalsContact CB-C 3.47Å; Y227-S383 WeakPolarHBondContact CB-O 3.48Å; Y227-E385 HydrophobicContact CE1-CB 4.43Å; Y227-E385 HydrophobicContact CE2-CB 3.97Å; Y227-Q422 WeakPolarHBondContact O-CG 3.47Å; Y227-Q422 PolarHBondContact O-NE2 2.84Å
228T96.7Very high97.4Very high9 Ų911.9 Ų11.96%0.0557%0.069CC..BIsolated β-bridgetrans-118.1115.7-176.2-53.50000109.1I225 P226 V230 V499I225-T228 PolarHBondContact O-N 3.24Å; P226-T228 PolarHBondContact O-N 3.24Å; T228-V230 HydrophobicContact CG2-CB 4.35Å; T228-V230 HydrophobicContact CG2-CG1 3.84Å; T228-V230 HydrophobicContact CG2-CG2 3.7Å; T228-V230 PolarHBondContact O-N 2.66Å; T228-V499 HydrophobicContact CG2-CB 4.4Å; T228-V499 HydrophobicContact CG2-CG1 3.49Å; T228-V499 VanDerWaalsContact CG2-CG1 3.49Å
229P97.6Very high97.1Very high11 Ų1115.5 Ų15.57%0.0719%0.088CC..  trans-76.756.6-172.432.5-38.5000113.3R221 G222 C497 L498R221-P229 WeakPolarHBondContact CA-O 3.36Å; R221-P229 HydrophobicContact CB-CB 4.32Å; R221-P229 WeakPolarHBondContact CB-O 3.39Å; R221-P229 WeakPolarHBondContact CD-O 3.37Å; G222-P229 PolarHBondContact N-O 2.62Å; G222-P229 CarbonylContact O-C 3.43Å; G222-P229 WeakPolarHBondContact O-CA 3.49Å; P229-C497 VanDerWaalsContact CG-C 3.45Å; P229-C497 WeakPolarHBondContact CG-O 3.34Å; P229-L498 WeakPolarHBondContact CD-O 3.28Å
230V97.9Very high96.8Very high3 Ų321 Ų212%0.01813%0.126CC..  trans-120.8172.5-177.9-63.70000111.3L211 D212 A215 G222 S223 D224 I225 T228 L498L211-V230 HydrophobicContact CB-CB 3.82Å; L211-V230 HydrophobicContact CB-CG1 4.28Å; L211-V230 HydrophobicContact CB-CG2 3.87Å; L211-V230 HydrophobicContact CD1-CG2 3.89Å; D212-V230 HydrophobicContact CB-CG1 4.3Å; A215-V230 HydrophobicContact CB-CG1 4.14Å; G222-V230 CarbonylContact C-O 3.3Å; G222-V230 VanDerWaalsContact C-O 3.25Å; G222-V230 WeakPolarHBondContact CA-O 3.43Å; S223-V230 PolarHBondContact N-O 3.22Å; D224-V230 PolarHBondContact N-O 3.16Å; D224-V230 VanDerWaalsContact N-O 3.09Å; I225-V230 HydrophobicContact CB-CG2 3.89Å; I225-V230 HydrophobicContact CG1-CG2 3.69Å; T228-V230 HydrophobicContact CG2-CB 4.35Å; T228-V230 HydrophobicContact CG2-CG1 3.84Å; T228-V230 HydrophobicContact CG2-CG2 3.7Å; T228-V230 PolarHBondContact O-N 2.66Å; V230-L498 HydrophobicContact CG1-CD2 4.1Å
231F97.9Very high96.6Very high2 Ų223 Ų231%0.00914%0.14CC..  trans-142.1146.5-178.154.4-83.3000110.9L175 L211 V214 A215 V220 D224 A233 V246L175-F231 HydrophobicContact CD1-CD2 4.4Å; L175-F231 HydrophobicContact CD2-CB 3.34Å; L175-F231 HydrophobicContact CD2-CD1 3.77Å; L175-F231 HydrophobicContact CD2-CD2 4.05Å; L175-F231 HydrophobicContact CD2-CG 3.45Å; L175-F231 VanDerWaalsContact CD2-CG 3.45Å; L211-F231 WeakPolarHBondContact CD2-O 3.38Å; V214-F231 HydrophobicContact CG1-CE2 4.16Å; V214-F231 HydrophobicContact CG1-CZ 4.12Å; A215-F231 HydrophobicContact CB-CE1 4.1Å; V220-F231 HydrophobicContact CB-CE1 3.75Å; V220-F231 HydrophobicContact CB-CZ 3.92Å; V220-F231 HydrophobicContact CG1-CD1 4.24Å; V220-F231 HydrophobicContact CG1-CE1 3.52Å; V220-F231 HydrophobicContact CG1-CZ 3.81Å; D224-F231 VanDerWaalsContact OD2-CA 3.23Å; D224-F231 WeakPolarHBondContact OD2-CA 3.28Å; F231-A233 HydrophobicContact CD2-CB 3.67Å; F231-A233 HydrophobicContact CE2-CB 3.56Å; F231-A233 PolarHBondContact O-N 3.08Å; F231-V246 HydrophobicContact CD2-CG2 4.25Å
232F97.9Very high96.6Very high4 Ų423 Ų232%0.01814%0.141CC..SBendtrans-60.2109.3177.8-69.1-65000111H38 A44 L170 P171 L211 D224 I225 Y271H38-F232 AromaticContact CD2-CD1 3.7Å; H38-F232 AromaticContact NE2-CD1 3.78Å; A44-F232 HydrophobicContact CB-CE2 4.29Å; A44-F232 HydrophobicContact CB-CZ 3.85Å; L170-F232 HydrophobicContact CD1-CD2 3.94Å; L170-F232 HydrophobicContact CD1-CE2 3.64Å; L170-F232 HydrophobicContact CD1-CZ 4.09Å; L170-F232 HydrophobicContact CD2-CD2 4.43Å; L170-F232 HydrophobicContact CG-CD2 4.16Å; L170-F232 HydrophobicContact CG-CE2 4.16Å; P171-F232 HydrophobicContact CB-CE2 4.46Å; P171-F232 HydrophobicContact CG-CE2 4.15Å; L211-F232 HydrophobicContact CD1-CD1 4.21Å; L211-F232 HydrophobicContact CD1-CE1 4.42Å; D224-F232 HydrophobicContact CB-CD2 3.69Å; D224-F232 HydrophobicContact CB-CE2 3.71Å; D224-F232 VanDerWaalsContact OD2-CD2 3.3Å; D224-F232 WeakPolarHBondContact OD2-CD2 3.31Å; D224-F232 PolarHBondContact OD2-N 3.04Å; I225-F232 HydrophobicContact CD1-CE1 4.02Å; I225-F232 HydrophobicContact CD1-CE2 4.5Å; I225-F232 HydrophobicContact CD1-CZ 3.74Å; F232-Y271 HydrophobicContact CB-CD2 4.33Å; F232-Y271 HydrophobicContact CB-CE2 3.83Å
233A98.2Very high96.7Very high0 Ų023.9 Ų23.90%015%0.146CC..EExtended strand (participates in β ladder)trans-159.515617800000112.8H38 V214 F231 L244 F245 V246H38-A233 PolarHBondContact CE1-O 3Å; V214-A233 HydrophobicContact CG1-CB 3.85Å; F231-A233 HydrophobicContact CD2-CB 3.67Å; F231-A233 HydrophobicContact CE2-CB 3.56Å; F231-A233 PolarHBondContact O-N 3.08Å; A233-L244 HydrophobicContact CB-CD1 3.89Å; A233-F245 CarbonylContact C-O 3.59Å; A233-F245 WeakPolarHBondContact CA-O 3.35Å; A233-F245 WeakPolarHBondContact CB-O 3.39Å; A233-V246 HydrophobicContact CB-CB 4.38Å
234Y98.8Very high96.8Very high4 Ų420.7 Ų20.72%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-120.7156.3164.6-60.7-90.1000109.7A37 H38 F245 Y271 V274 L300A37-Y234 WeakPolarHBondContact CB-OH 3.34Å; A37-Y234 PolarHBondContact O-OH 3.45Å; H38-Y234 AromaticContact CE1-CD1 3.92Å; H38-Y234 AromaticContact CE1-CD2 3.75Å; H38-Y234 AromaticContact CE1-CE1 3.48Å; H38-Y234 VanDerWaalsContact CE1-CE1 3.48Å; H38-Y234 WeakPolarHBondContact CE1-CE1 3.27Å; H38-Y234 AromaticContact CE1-CE2 3.31Å; H38-Y234 WeakPolarHBondContact CE1-CE2 3.37Å; H38-Y234 AromaticContact CE1-CZ 3.15Å; H38-Y234 AromaticContact ND1-CE1 3.59Å; H38-Y234 AromaticContact ND1-CZ 3.65Å; H38-Y234 AromaticContact NE2-CE2 3.78Å; H38-Y234 AromaticContact NE2-CZ 3.74Å; Y234-F245 PolarHBondContact N-O 3.23Å; Y234-F245 PolarHBondContact O-N 3.35Å; Y234-Y271 HydrophobicContact CD2-CD2 4.25Å; Y234-Y271 AromaticContact CD2-CE2 3.82Å; Y234-Y271 HydrophobicContact CD2-CE2 3.82Å; Y234-Y271 HydrophobicContact CE2-CD2 4.33Å; Y234-Y271 HydrophobicContact CE2-CE1 4.47Å; Y234-Y271 AromaticContact CE2-CE2 3.55Å; Y234-Y271 HydrophobicContact CE2-CE2 3.55Å; Y234-Y271 AromaticContact CE2-CZ 3.64Å; Y234-V274 HydrophobicContact CD1-CG2 4.39Å; Y234-V274 HydrophobicContact CD2-CB 4.07Å; Y234-V274 HydrophobicContact CD2-CG1 3.69Å; Y234-V274 HydrophobicContact CD2-CG2 4.15Å; Y234-V274 HydrophobicContact CE2-CG1 3.84Å; Y234-V274 HydrophobicContact CG-CB 4.3Å; Y234-V274 HydrophobicContact CG-CG1 4.24Å; Y234-V274 HydrophobicContact CG-CG2 3.87Å; Y234-L300 HydrophobicContact CD1-CD1 3.74Å; Y234-L300 HydrophobicContact CE1-CD1 3.36Å
235C98.7Very high96.9Very high0 Ų020.7 Ų20.70%012%0.123CC..EExtended strand (participates in β ladder)trans-126.5136.2169.5-178.90000110.6I208 V214 F218 S243I208-C235 HydrophobicContact CB-CB 4.13Å; I208-C235 HydrophobicContact CD1-CB 4.43Å; I208-C235 PolarHBondContact N-O 2.82Å; I208-C235 PolarHBondContact O-N 3.3Å; V214-C235 HydrophobicContact CG2-CB 4.29Å; F218-C235 HydrophobicContact CE2-CB 4.04Å; F218-C235 HydrophobicContact CZ-CB 4.43Å; C235-S243 CarbonylContact C-O 3.52Å; C235-S243 VanDerWaalsContact CA-O 3.3Å; C235-S243 WeakPolarHBondContact CA-O 3.44Å
236I98.8Very high97Very high9 Ų920.6 Ų20.65%0.04612%0.123CC..EExtended strand (participates in β ladder)trans-114.2115.2164.6-63.6175.7000107.6L206 L207 S243 F245 L278 L281L206-I236 WeakPolarHBondContact O-CA 3.4Å; L207-I236 HydrophobicContact CD1-CG1 3.94Å; I236-S243 PolarHBondContact N-O 3.13Å; I236-S243 PolarHBondContact O-N 3.34Å; I236-F245 HydrophobicContact CB-CE2 4.06Å; I236-F245 HydrophobicContact CD1-CE2 3.66Å; I236-F245 HydrophobicContact CD1-CZ 3.81Å; I236-F245 HydrophobicContact CG1-CE2 3.69Å; I236-F245 HydrophobicContact CG1-CZ 4.36Å; I236-L278 HydrophobicContact CD1-CB 4.07Å; I236-L278 HydrophobicContact CD1-CD1 4.13Å; I236-L281 HydrophobicContact CG2-CD2 3.8Å
237L98.5Very high97.2Very high0 Ų020 Ų200%012%0.117CC..EExtended strand (participates in β ladder)trans-97.1137.7171.8-65.1177.6000109.5V191 V194 M198 A205 L206 I208 L217 V242V191-L237 HydrophobicContact CG1-CD2 4.18Å; V194-L237 HydrophobicContact CB-CD1 4.1Å; V194-L237 HydrophobicContact CG1-CD1 3.51Å; M198-L237 HydrophobicContact SD-CB 4.02Å; A205-L237 CarbonylContact C-O 3.58Å; A205-L237 WeakPolarHBondContact CA-O 3.33Å; A205-L237 WeakPolarHBondContact CB-O 3.5Å; L206-L237 PolarHBondContact N-O 3.32Å; L206-L237 PolarHBondContact O-N 3.42Å; I208-L237 HydrophobicContact CD1-CD1 3.99Å; L217-L237 HydrophobicContact CD2-CD1 3.96Å; L217-L237 HydrophobicContact CD2-CD2 4.43Å; L217-L237 HydrophobicContact CD2-CG 4.49Å; L237-V242 HydrophobicContact CD2-CB 4.03Å; L237-V242 HydrophobicContact CD2-CG1 3.61Å; L237-V242 HydrophobicContact CD2-CG2 3.72Å
238T97.6Very high97Very high17 Ų1720.3 Ų20.310%0.10413%0.133CC..EExtended strand (participates in β ladder)trans-121179.6163.576.30000109.5Q195 Q204 A205 S240 S241Q195-T238 PolarHBondContact NE2-O 2.66Å; Q204-T238 WeakPolarHBondContact O-CA 3.3Å; A205-T238 HydrophobicContact CB-CG2 4.24Å; T238-S240 PolarHBondContact O-N 2.88Å; T238-S240 VanDerWaalsContact O-N 3.16Å; T238-S240 PolarHBondContact OG1-N 3.44Å; T238-S241 WeakPolarHBondContact CG2-OG 3.47Å; T238-S241 PolarHBondContact N-O 3.49Å; T238-S241 PolarHBondContact OG1-N 3.1Å; T238-S241 PolarHBondContact OG1-OG 2.89Å
239D91.8Very high96.7Very high76 Ų7626.9 Ų26.941%0.40616%0.163SC..SBendtrans-59.1-22.9173.4-72.5-39.4000113.8
240S91.6Very high96.6Very high114 Ų11427.2 Ų27.280%0.79716%0.163SC*.SBendtrans-133.7-1.7-17264.90000115T238T238-S240 PolarHBondContact O-N 2.88Å; T238-S240 VanDerWaalsContact O-N 3.16Å; T238-S240 PolarHBondContact OG1-N 3.44Å
241S96Very high96.5Very high45 Ų4528.1 Ų28.132%0.31517%0.169SC..  trans-142150.5-176.872.40000112.2T238T238-S241 WeakPolarHBondContact CG2-OG 3.47Å; T238-S241 PolarHBondContact N-O 3.49Å; T238-S241 PolarHBondContact OG1-N 3.1Å; T238-S241 PolarHBondContact OG1-OG 2.89Å
242V98.2Very high96.3Very high2 Ų230 Ų301%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-127.3116.4175.5-176.80000107.5V191 F218 L237 M264 V266 T267V191-V242 HydrophobicContact CG1-CG2 3.83Å; F218-V242 HydrophobicContact CE1-CG1 3.64Å; F218-V242 HydrophobicContact CZ-CG1 3.59Å; L237-V242 HydrophobicContact CD2-CB 4.03Å; L237-V242 HydrophobicContact CD2-CG1 3.61Å; L237-V242 HydrophobicContact CD2-CG2 3.72Å; V242-M264 HydrophobicContact CG2-CG 4.37Å; V242-M264 HydrophobicContact CG2-SD 4.1Å; V242-V266 HydrophobicContact CB-CG2 4.42Å; V242-V266 HydrophobicContact CG1-CB 4.46Å; V242-V266 HydrophobicContact CG1-CG1 4.18Å; V242-V266 HydrophobicContact CG1-CG2 3.94Å; V242-T267 PolarHBondContact O-N 3.17Å
243S98.5Very high96.2Very high20 Ų2033.3 Ų33.314%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-115.7121.3178.4-65.10000109.9C235 I236 T267C235-S243 CarbonylContact C-O 3.52Å; C235-S243 VanDerWaalsContact CA-O 3.3Å; C235-S243 WeakPolarHBondContact CA-O 3.44Å; I236-S243 PolarHBondContact N-O 3.13Å; I236-S243 PolarHBondContact O-N 3.34Å; S243-T267 CarbonylContact C-O 3.46Å; S243-T267 WeakPolarHBondContact CA-O 3.49Å
244L98.6Very high96.1Very high5 Ų539.6 Ų39.63%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-107.8115.9176.8176.463.5000109.2V214 F218 A233 V246 L259 V266 T267 L268 E269V214-L244 HydrophobicContact CG1-CD1 3.7Å; F218-L244 HydrophobicContact CD2-CD1 4.2Å; F218-L244 HydrophobicContact CE2-CD1 3.84Å; A233-L244 HydrophobicContact CB-CD1 3.89Å; L244-V246 HydrophobicContact CD2-CG1 4.22Å; L244-V246 HydrophobicContact CG-CB 4.26Å; L244-V246 HydrophobicContact CG-CG1 4.05Å; L244-L259 HydrophobicContact CD2-CD1 4.12Å; L244-V266 HydrophobicContact CB-CG1 3.5Å; L244-V266 HydrophobicContact CD2-CG1 4.35Å; L244-T267 PolarHBondContact N-O 3.16Å; L244-L268 HydrophobicContact CB-CD2 4.27Å; L244-L268 HydrophobicContact CD2-CD2 3.96Å; L244-L268 HydrophobicContact CG-CD2 4.41Å; L244-L268 WeakPolarHBondContact O-CA 3.24Å; L244-E269 PolarHBondContact O-N 3Å
245F98.7Very high96Very high2 Ų239.9 Ų39.91%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-91.9108.2177.6-60.4-96.2000108.4A233 Y234 I236 E269 S273 V274 C277A233-F245 CarbonylContact C-O 3.59Å; A233-F245 WeakPolarHBondContact CA-O 3.35Å; A233-F245 WeakPolarHBondContact CB-O 3.39Å; Y234-F245 PolarHBondContact N-O 3.23Å; Y234-F245 PolarHBondContact O-N 3.35Å; I236-F245 HydrophobicContact CB-CE2 4.06Å; I236-F245 HydrophobicContact CD1-CE2 3.66Å; I236-F245 HydrophobicContact CD1-CZ 3.81Å; I236-F245 HydrophobicContact CG1-CE2 3.69Å; I236-F245 HydrophobicContact CG1-CZ 4.36Å; F245-E269 WeakPolarHBondContact CA-O 3.4Å; F245-E269 HydrophobicContact CD1-CB 3.42Å; F245-E269 VanDerWaalsContact CD1-CB 3.42Å; F245-E269 HydrophobicContact CD1-CG 4.25Å; F245-E269 HydrophobicContact CE1-CB 3.53Å; F245-E269 HydrophobicContact CE1-CG 3.87Å; F245-E269 HydrophobicContact CG-CB 4.03Å; F245-E269 HydrophobicContact CZ-CB 4.21Å; F245-E269 HydrophobicContact CZ-CG 4.15Å; F245-S273 WeakPolarHBondContact CD1-OG 3.32Å; F245-S273 WeakPolarHBondContact CE1-OG 3.33Å; F245-V274 HydrophobicContact CB-CB 4.26Å; F245-V274 VanDerWaalsContact CD1-CA 3.47Å; F245-V274 HydrophobicContact CD1-CB 3.72Å; F245-V274 HydrophobicContact CD1-CG2 4.42Å; F245-V274 HydrophobicContact CD2-CB 4.26Å; F245-V274 HydrophobicContact CD2-CG2 4.14Å; F245-V274 VanDerWaalsContact CE1-CA 3.48Å; F245-V274 HydrophobicContact CE1-CB 4.13Å; F245-V274 HydrophobicContact CE2-CG2 4.36Å; F245-V274 HydrophobicContact CG-CB 3.8Å; F245-V274 HydrophobicContact CG-CG2 4.19Å; F245-C277 HydrophobicContact CE1-CB 3.67Å; F245-C277 HydrophobicContact CZ-CB 3.64Å
246V97.9Very high95.8Very high2 Ų246 Ų461%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-150.3154.3-172.664.50000110.2L175 F231 A233 L244 A248 V251 L268 E269 Y271L175-V246 HydrophobicContact CD1-CG2 4.4Å; F231-V246 HydrophobicContact CD2-CG2 4.25Å; A233-V246 HydrophobicContact CB-CB 4.38Å; L244-V246 HydrophobicContact CD2-CG1 4.22Å; L244-V246 HydrophobicContact CG-CB 4.26Å; L244-V246 HydrophobicContact CG-CG1 4.05Å; V246-A248 PolarHBondContact O-N 2.77Å; V246-A248 VanDerWaalsContact O-N 3.14Å; V246-V251 HydrophobicContact CG1-CG2 3.68Å; V246-V251 HydrophobicContact CG2-CG2 4.31Å; V246-L268 HydrophobicContact CG1-CD2 4.24Å; V246-E269 PolarHBondContact N-O 2.95Å; V246-Y271 PolarHBondContact O-N 3.33Å
247H95.7Very high95.7Very high30 Ų3052.6 Ų52.614%0.13930%0.299CS..  trans-63.9110.9170.7-73.3-72.9000110.1L170 E249 K250 Y271L170-H247 VanDerWaalsContact CD2-NE2 3.25Å; L170-H247 WeakPolarHBondContact CD2-NE2 3.11Å; H247-E249 HydrophobicContact CB-CG 4.47Å; H247-E249 IonicContact CG-OE1 3.79Å; H247-E249 IonicContact ND1-OE1 3.55Å; H247-E249 PolarHBondContact O-N 2.82Å; H247-K250 HydrophobicContact CB-CD 3.72Å; H247-K250 HydrophobicContact CB-CG 3.83Å; H247-K250 VanDerWaalsContact O-CB 3.3Å; H247-K250 WeakPolarHBondContact O-CB 3.38Å; H247-K250 PolarHBondContact O-N 3.02Å; H247-Y271 AromaticContact CD2-CG 3.99Å; H247-Y271 AromaticContact NE2-CD1 3.56Å; H247-Y271 AromaticContact NE2-CG 3.54Å
248A90.9Very high95.6Very high72 Ų7254.9 Ų54.960%0.59531%0.308SS*.G310 helixtrans-59.9-32.3-170.700000113.1V246 K250 V251V246-A248 PolarHBondContact O-N 2.77Å; V246-A248 VanDerWaalsContact O-N 3.14Å; A248-K250 PolarHBondContact O-N 3.03Å; A248-K250 VanDerWaalsContact O-N 3.13Å; A248-V251 PolarHBondContact O-N 3.34Å; A248-V251 VanDerWaalsContact O-N 3.16Å
249E92.2Very high95.5Very high147 Ų14754.2 Ų54.269%0.68730%0.303SS*.G310 helixtrans-60.2-18.4175.464.1-87.4-154.100113.7H247H247-E249 HydrophobicContact CB-CG 4.47Å; H247-E249 IonicContact CG-OE1 3.79Å; H247-E249 IonicContact ND1-OE1 3.55Å; H247-E249 PolarHBondContact O-N 2.82Å
250K94.4Very high95.7Very high17 Ų1753.7 Ų53.77%0.07430%0.303CS..G310 helixtrans-90.4-16.7-179.8-54-174.673.4-152.50113.5G173 L175 D224 H247 A248G173-K250 WeakPolarHBondContact O-CE 3.34Å; G173-K250 PolarHBondContact O-NZ 2.67Å; L175-K250 HydrophobicContact CD1-CB 3.93Å; L175-K250 HydrophobicContact CG-CB 4.05Å; L175-K250 WeakPolarHBondContact CG-O 3.5Å; D224-K250 WeakPolarHBondContact OD1-CE 3.25Å; D224-K250 IonicContact OD1-NZ 3.31Å; D224-K250 PolarHBondContact OD1-NZ 2.97Å; D224-K250 IonicContact OD2-NZ 2.68Å; D224-K250 PolarHBondContact OD2-NZ 3Å; H247-K250 HydrophobicContact CB-CD 3.72Å; H247-K250 HydrophobicContact CB-CG 3.83Å; H247-K250 VanDerWaalsContact O-CB 3.3Å; H247-K250 WeakPolarHBondContact O-CB 3.38Å; H247-K250 PolarHBondContact O-N 3.02Å; A248-K250 PolarHBondContact O-N 3.03Å; A248-K250 VanDerWaalsContact O-N 3.13Å
251V95.1Very high95.6Very high23 Ų2349.5 Ų49.514%0.13927%0.272CS..  trans-94.2108.4-175.4-174.40000109.1L175 V246 A248 L255 K256 L268L175-V251 HydrophobicContact CD1-CG2 4.14Å; V246-V251 HydrophobicContact CG1-CG2 3.68Å; V246-V251 HydrophobicContact CG2-CG2 4.31Å; A248-V251 PolarHBondContact O-N 3.34Å; A248-V251 VanDerWaalsContact O-N 3.16Å; V251-L255 HydrophobicContact CG1-CB 4.18Å; V251-L255 HydrophobicContact CG1-CD2 4.21Å; V251-L255 HydrophobicContact CG1-CG 4.19Å; V251-K256 HydrophobicContact CG1-CB 4.22Å; V251-L268 HydrophobicContact CB-CD1 4.33Å; V251-L268 HydrophobicContact CG1-CD1 3.86Å; V251-L268 HydrophobicContact CG2-CD1 4.47Å
252S95.3Very high95.4Very high41 Ų4152.7 Ų52.729%0.28729%0.291SS..  trans-68165.2176.886.60000112E254 L255 K256S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 WeakPolarHBondContact CB-OE2 3.37Å; S252-E254 PolarHBondContact O-N 2.99Å; S252-E254 PolarHBondContact OG-N 3.04Å; S252-E254 PolarHBondContact OG-OE2 3.03Å; S252-L255 PolarHBondContact O-N 3.28Å; S252-L255 PolarHBondContact OG-N 3.25Å; S252-L255 VanDerWaalsContact OG-N 3.15Å; S252-K256 WeakPolarHBondContact O-CB 3.29Å; S252-K256 PolarHBondContact O-N 3.03Å
253A95.6Very high95Very high74 Ų7463.1 Ų63.161%0.61233%0.331SS*.Hα-helixtrans-61.7-38.3176.200000111.6K256 Q257A253-K256 PolarHBondContact O-N 3.11Å; A253-Q257 WeakPolarHBondContact O-CB 3.47Å; A253-Q257 PolarHBondContact O-N 2.92Å
254E95.7Very high94.8Very high131 Ų13163.8 Ų63.861%0.61233%0.332SS*.Hα-helixtrans-64.4-45177.1-55.973-156.700110.7S252 Q257 Y258S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 WeakPolarHBondContact CB-OE2 3.37Å; S252-E254 PolarHBondContact O-N 2.99Å; S252-E254 PolarHBondContact OG-N 3.04Å; S252-E254 PolarHBondContact OG-OE2 3.03Å; E254-Q257 WeakPolarHBondContact O-CB 3.3Å; E254-Q257 PolarHBondContact O-N 3.37Å; E254-Y258 PolarHBondContact O-N 2.99Å
255L95.7Very high94.7Very high11 Ų1167.1 Ų67.16%0.05835%0.353CS..Hα-helixtrans-67.5-38.5178.2-174.359.2000111.7L175 V220 V251 S252 Q257 Y258 L259L175-L255 HydrophobicContact CB-CD2 3.65Å; L175-L255 HydrophobicContact CD1-CD2 3.93Å; L175-L255 HydrophobicContact CG-CD2 4.45Å; V220-L255 HydrophobicContact CG1-CD1 4.41Å; V220-L255 HydrophobicContact CG1-CD2 4.05Å; V220-L255 HydrophobicContact CG2-CD1 3.77Å; V251-L255 HydrophobicContact CG1-CB 4.18Å; V251-L255 HydrophobicContact CG1-CD2 4.21Å; V251-L255 HydrophobicContact CG1-CG 4.19Å; S252-L255 PolarHBondContact O-N 3.28Å; S252-L255 PolarHBondContact OG-N 3.25Å; S252-L255 VanDerWaalsContact OG-N 3.15Å; L255-Q257 VanDerWaalsContact C-N 3.29Å; L255-Q257 PolarHBondContact O-N 2.83Å; L255-Y258 HydrophobicContact CD1-CD1 3.94Å; L255-Y258 WeakPolarHBondContact O-CB 3.31Å; L255-Y258 PolarHBondContact O-N 3.42Å; L255-L259 HydrophobicContact CD1-CD1 4.48Å; L255-L259 HydrophobicContact CD1-CG 4.42Å; L255-L259 HydrophobicContact CG-CD1 4.24Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.83Å
256K95.4Very high94.6Very high127 Ų12767.4 Ų67.455%0.55235%0.354SS*.Hα-helixtrans-61.5-39.5173.8-171.3176.2-177.5177.40111.7V251 S252 A253 T260 L268V251-K256 HydrophobicContact CG1-CB 4.22Å; S252-K256 WeakPolarHBondContact O-CB 3.29Å; S252-K256 PolarHBondContact O-N 3.03Å; A253-K256 PolarHBondContact O-N 3.11Å; K256-T260 PolarHBondContact O-OG1 3.06Å; K256-L268 HydrophobicContact CD-CD1 4.3Å; K256-L268 HydrophobicContact CG-CD1 4.08Å
257Q95.9Very high94.6Very high149 Ų14970.4 Ų70.470%0.69637%0.373SS*.Hα-helixtrans-66.4-42.8173.9-175.3178.94.200111.4A253 E254 L255 L259 T260A253-Q257 WeakPolarHBondContact O-CB 3.47Å; A253-Q257 PolarHBondContact O-N 2.92Å; E254-Q257 WeakPolarHBondContact O-CB 3.3Å; E254-Q257 PolarHBondContact O-N 3.37Å; L255-Q257 VanDerWaalsContact C-N 3.29Å; L255-Q257 PolarHBondContact O-N 2.83Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.41Å; Q257-T260 PolarHBondContact O-N 3.19Å; Q257-T260 VanDerWaalsContact O-N 3.1Å
258Y96.4Very high94.7Very high48 Ų4871.6 Ų71.619%0.18838%0.38CS..Hα-helixtrans-59.3-38.7177.4172.7-106.6000113.2Q177 W187 F218 E254 L255 T260Q177-Y258 HydrophobicContact CG-CD1 4.41Å; Q177-Y258 HydrophobicContact CG-CD2 4.39Å; Q177-Y258 HydrophobicContact CG-CE1 3.99Å; Q177-Y258 HydrophobicContact CG-CE2 4Å; W187-Y258 AromaticContact CD1-CE1 3.64Å; W187-Y258 AromaticContact CD1-CZ 3.45Å; W187-Y258 VanDerWaalsContact CD1-CZ 3.45Å; W187-Y258 PolarHBondContact NE1-O 3.32Å; F218-Y258 WeakPolarHBondContact O-CE1 3.33Å; E254-Y258 PolarHBondContact O-N 2.99Å; L255-Y258 HydrophobicContact CD1-CD1 3.94Å; L255-Y258 WeakPolarHBondContact O-CB 3.31Å; L255-Y258 PolarHBondContact O-N 3.42Å; Y258-T260 PolarHBondContact O-N 3Å
259L96.8Very high95.1Very high3 Ų371 Ų712%0.01637%0.365CS..THydrogen-bonded Turntrans-80.613178.2-63.4174.1000113.5F218 V220 L244 L255 Q257 V266 L268F218-L259 HydrophobicContact CB-CD2 4.21Å; F218-L259 HydrophobicContact CD1-CD2 3.98Å; F218-L259 HydrophobicContact CG-CD2 4.37Å; V220-L259 HydrophobicContact CG2-CD2 4.46Å; L244-L259 HydrophobicContact CD2-CD1 4.12Å; L255-L259 HydrophobicContact CD1-CD1 4.48Å; L255-L259 HydrophobicContact CD1-CG 4.42Å; L255-L259 HydrophobicContact CG-CD1 4.24Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 2.83Å; Q257-L259 VanDerWaalsContact C-N 3.3Å; Q257-L259 PolarHBondContact O-N 3.41Å; L259-V266 HydrophobicContact CB-CB 4Å; L259-V266 HydrophobicContact CB-CG2 4.04Å; L259-V266 HydrophobicContact CD2-CG2 4.28Å; L259-V266 WeakPolarHBondContact O-CG2 3.48Å; L259-V266 PolarHBondContact O-N 3.11Å; L259-L268 HydrophobicContact CD1-CD2 4.39Å
260T95.7Very high95.3Very high65 Ų6567.9 Ų67.940%0.39936%0.357SS..EExtended strand (participates in β ladder)trans-131.5122.6178.5-57.20000110K256 Q257 Y258 T265K256-T260 PolarHBondContact O-OG1 3.06Å; Q257-T260 PolarHBondContact O-N 3.19Å; Q257-T260 VanDerWaalsContact O-N 3.1Å; Y258-T260 PolarHBondContact O-N 3Å; T260-T265 HydrophobicContact CG2-CG2 3.97Å
261N90.2Very high95.5Very high26 Ų2668.5 Ų68.514%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-132.6167.817071.750.2000110.6W263 M264N261-W263 HydrophobicContact CB-CE3 4.17Å; N261-W263 HydrophobicContact CB-CZ3 4.2Å; N261-W263 PolarHBondContact O-N 3.12Å; N261-W263 VanDerWaalsContact OD1-CE3 3.26Å; N261-W263 PolarHBondContact OD1-N 3.04Å; N261-M264 PolarHBondContact N-O 3.32Å; N261-M264 PolarHBondContact O-N 3.22Å; N261-M264 PolarHBondContact OD1-N 2.88Å; N261-M264 PolarHBondContact OD1-O 3.02Å
262P90.4Very high95.6Very high112 Ų11273.6 Ų73.673%0.72739%0.386SS*.THydrogen-bonded Turntrans-56.5-18.9-176-28.434000116.5
263W90.7Very high95.7Very high221 Ų22172.8 Ų72.884%0.83738%0.38SS*.THydrogen-bonded Turntrans-116.8-14.3-173.6-39.6-90.3000113N261N261-W263 HydrophobicContact CB-CE3 4.17Å; N261-W263 HydrophobicContact CB-CZ3 4.2Å; N261-W263 PolarHBondContact O-N 3.12Å; N261-W263 VanDerWaalsContact OD1-CE3 3.26Å; N261-W263 PolarHBondContact OD1-N 3.04Å
264M94.4Very high95.8Very high33 Ų3369.5 Ų69.516%0.16335%0.352CS..EExtended strand (participates in β ladder)trans-152.9126.9-178.1-168.6176.5-7000110.6W187 E188 V191 L192 V242 N261W187-M264 HydrophobicContact CE3-SD 4.39Å; W187-M264 HydrophobicContact CH2-CB 4.12Å; W187-M264 HydrophobicContact CH2-CG 3.83Å; W187-M264 HydrophobicContact CH2-SD 3.95Å; W187-M264 HydrophobicContact CZ3-CG 3.91Å; W187-M264 HydrophobicContact CZ3-SD 3.45Å; W187-M264 WeakPolarHBondContact CZ3-SD 3.19Å; E188-M264 HydrophobicContact CB-SD 4.36Å; V191-M264 HydrophobicContact CB-CE 4.47Å; V191-M264 HydrophobicContact CB-SD 4.06Å; V191-M264 HydrophobicContact CG1-CE 3.89Å; V191-M264 HydrophobicContact CG1-SD 3.74Å; V191-M264 HydrophobicContact CG2-SD 4.47Å; L192-M264 HydrophobicContact CD2-CE 4.18Å; L192-M264 HydrophobicContact CG-CE 4.36Å; V242-M264 HydrophobicContact CG2-CG 4.37Å; V242-M264 HydrophobicContact CG2-SD 4.1Å; N261-M264 PolarHBondContact N-O 3.32Å; N261-M264 PolarHBondContact O-N 3.22Å; N261-M264 PolarHBondContact OD1-N 2.88Å; N261-M264 PolarHBondContact OD1-O 3.02Å
265T95.7Very high96Very high76 Ų7666 Ų6647%0.46634%0.336SS..EExtended strand (participates in β ladder)trans-123.9126.7176.9-57.60000109.4T260 T267T260-T265 HydrophobicContact CG2-CG2 3.97Å; T265-T267 PolarHBondContact O-N 2.99Å
266V97.8Very high96.1Very high7 Ų772.2 Ų72.24%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-77.1120.7170.8-179.50000109W187 F218 V242 L244 L259 L268W187-V266 HydrophobicContact CE3-CG2 4.4Å; W187-V266 HydrophobicContact CH2-CG2 3.85Å; W187-V266 HydrophobicContact CZ3-CG2 3.76Å; F218-V266 HydrophobicContact CD1-CG2 4.2Å; F218-V266 HydrophobicContact CE1-CG1 4.24Å; F218-V266 HydrophobicContact CE1-CG2 3.68Å; F218-V266 HydrophobicContact CZ-CG1 4.42Å; V242-V266 HydrophobicContact CB-CG2 4.42Å; V242-V266 HydrophobicContact CG1-CB 4.46Å; V242-V266 HydrophobicContact CG1-CG1 4.18Å; V242-V266 HydrophobicContact CG1-CG2 3.94Å; L244-V266 HydrophobicContact CB-CG1 3.5Å; L244-V266 HydrophobicContact CD2-CG1 4.35Å; L259-V266 HydrophobicContact CB-CB 4Å; L259-V266 HydrophobicContact CB-CG2 4.04Å; L259-V266 HydrophobicContact CD2-CG2 4.28Å; L259-V266 WeakPolarHBondContact O-CG2 3.48Å; L259-V266 PolarHBondContact O-N 3.11Å; V266-L268 HydrophobicContact CG1-CD2 4.41Å; V266-L268 PolarHBondContact O-N 3.26Å
267T97.3Very high96.2Very high65 Ų6567.9 Ų67.940%0.39935%0.348SS..EExtended strand (participates in β ladder)trans-80.2119174-55.50000109V242 S243 L244 T265 E269V242-T267 PolarHBondContact O-N 3.17Å; S243-T267 CarbonylContact C-O 3.46Å; S243-T267 WeakPolarHBondContact CA-O 3.49Å; L244-T267 PolarHBondContact N-O 3.16Å; T265-T267 PolarHBondContact O-N 2.99Å; T267-E269 HydrophobicContact CG2-CG 4.41Å
268L97.5Very high96.3Very high55 Ų5560.8 Ų60.829%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-83.9121.5175.6-57.3179000109.7L244 V246 V251 K256 L259 V266L244-L268 HydrophobicContact CB-CD2 4.27Å; L244-L268 HydrophobicContact CD2-CD2 3.96Å; L244-L268 HydrophobicContact CG-CD2 4.41Å; L244-L268 WeakPolarHBondContact O-CA 3.24Å; V246-L268 HydrophobicContact CG1-CD2 4.24Å; V251-L268 HydrophobicContact CB-CD1 4.33Å; V251-L268 HydrophobicContact CG1-CD1 3.86Å; V251-L268 HydrophobicContact CG2-CD1 4.47Å; K256-L268 HydrophobicContact CD-CD1 4.3Å; K256-L268 HydrophobicContact CG-CD1 4.08Å; L259-L268 HydrophobicContact CD1-CD2 4.39Å; V266-L268 HydrophobicContact CG1-CD2 4.41Å; V266-L268 PolarHBondContact O-N 3.26Å
269E98.2Very high96.4Very high61 Ų6160.8 Ų60.829%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-115.6150.8178.4-67.9-71.6177.800110L244 F245 V246 T267 Y271L244-E269 PolarHBondContact O-N 3Å; F245-E269 WeakPolarHBondContact CA-O 3.4Å; F245-E269 HydrophobicContact CD1-CB 3.42Å; F245-E269 VanDerWaalsContact CD1-CB 3.42Å; F245-E269 HydrophobicContact CD1-CG 4.25Å; F245-E269 HydrophobicContact CE1-CB 3.53Å; F245-E269 HydrophobicContact CE1-CG 3.87Å; F245-E269 HydrophobicContact CG-CB 4.03Å; F245-E269 HydrophobicContact CZ-CB 4.21Å; F245-E269 HydrophobicContact CZ-CG 4.15Å; V246-E269 PolarHBondContact N-O 2.95Å; T267-E269 HydrophobicContact CG2-CG 4.41Å; E269-Y271 PolarHBondContact O-N 3.03Å
270P98Very high96.5Very high81 Ų8165.7 Ų65.753%0.52635%0.345SS..  trans-58.4137.2173.1-22.532.7000111.5D272 S273P270-D272 VanDerWaalsContact C-N 3.31Å; P270-D272 PolarHBondContact O-N 3.2Å; P270-S273 WeakPolarHBondContact O-CB 3.5Å; P270-S273 PolarHBondContact O-N 3.32Å; P270-S273 PolarHBondContact O-OG 3.22Å
271Y98Very high96.6Very high29 Ų2963.6 Ų63.611%0.11433%0.331CS..G310 helixtrans-48.1-49.5-178.9177.1-98000113.2H38 F232 Y234 V246 H247 E269 S273H38-Y271 AromaticContact CE1-CE2 3.88Å; H38-Y271 AromaticContact NE2-CE2 3.48Å; H38-Y271 WeakPolarHBondContact NE2-CE2 3.42Å; H38-Y271 AromaticContact NE2-CZ 3.51Å; H38-Y271 PolarHBondContact NE2-OH 3.29Å; F232-Y271 HydrophobicContact CB-CD2 4.33Å; F232-Y271 HydrophobicContact CB-CE2 3.83Å; Y234-Y271 HydrophobicContact CD2-CD2 4.25Å; Y234-Y271 AromaticContact CD2-CE2 3.82Å; Y234-Y271 HydrophobicContact CD2-CE2 3.82Å; Y234-Y271 HydrophobicContact CE2-CD2 4.33Å; Y234-Y271 HydrophobicContact CE2-CE1 4.47Å; Y234-Y271 AromaticContact CE2-CE2 3.55Å; Y234-Y271 HydrophobicContact CE2-CE2 3.55Å; Y234-Y271 AromaticContact CE2-CZ 3.64Å; V246-Y271 PolarHBondContact O-N 3.33Å; H247-Y271 AromaticContact CD2-CG 3.99Å; H247-Y271 AromaticContact NE2-CD1 3.56Å; H247-Y271 AromaticContact NE2-CG 3.54Å; E269-Y271 PolarHBondContact O-N 3.03Å; Y271-S273 PolarHBondContact O-N 2.87Å
272D96.4Very high96.9Very high131 Ų13162.7 Ų62.770%0.70133%0.328SS*.G310 helixtrans-72.3-8.7-177.3-57.6-55.8000114.4P270 V274P270-D272 VanDerWaalsContact C-N 3.31Å; P270-D272 PolarHBondContact O-N 3.2Å; D272-V274 VanDerWaalsContact C-N 3.31Å; D272-V274 PolarHBondContact O-N 3.01Å
273S98.1Very high97.2Very high23 Ų2361.5 Ų61.516%0.16132%0.322CS..G310 helixtrans-81.5-10.1-178.183.90000113.4F245 P270 Y271 H275 K276 C277F245-S273 WeakPolarHBondContact CD1-OG 3.32Å; F245-S273 WeakPolarHBondContact CE1-OG 3.33Å; P270-S273 WeakPolarHBondContact O-CB 3.5Å; P270-S273 PolarHBondContact O-N 3.32Å; P270-S273 PolarHBondContact O-OG 3.22Å; Y271-S273 PolarHBondContact O-N 2.87Å; S273-H275 VanDerWaalsContact C-N 3.33Å; S273-H275 PolarHBondContact O-N 3.22Å; S273-K276 WeakPolarHBondContact O-CB 3.46Å; S273-K276 PolarHBondContact O-N 3.01Å; S273-C277 PolarHBondContact O-N 3Å
274V98.4Very high97.5Very high5 Ų557 Ų573%0.0331%0.305CS..Hα-helixtrans-52.6-45.5-174.861.30000113L207 Y234 F245 D272 K276 C277 L278 L300L207-V274 HydrophobicContact CD1-CG2 4.27Å; Y234-V274 HydrophobicContact CD1-CG2 4.39Å; Y234-V274 HydrophobicContact CD2-CB 4.07Å; Y234-V274 HydrophobicContact CD2-CG1 3.69Å; Y234-V274 HydrophobicContact CD2-CG2 4.15Å; Y234-V274 HydrophobicContact CE2-CG1 3.84Å; Y234-V274 HydrophobicContact CG-CB 4.3Å; Y234-V274 HydrophobicContact CG-CG1 4.24Å; Y234-V274 HydrophobicContact CG-CG2 3.87Å; F245-V274 HydrophobicContact CB-CB 4.26Å; F245-V274 VanDerWaalsContact CD1-CA 3.47Å; F245-V274 HydrophobicContact CD1-CB 3.72Å; F245-V274 HydrophobicContact CD1-CG2 4.42Å; F245-V274 HydrophobicContact CD2-CB 4.26Å; F245-V274 HydrophobicContact CD2-CG2 4.14Å; F245-V274 VanDerWaalsContact CE1-CA 3.48Å; F245-V274 HydrophobicContact CE1-CB 4.13Å; F245-V274 HydrophobicContact CE2-CG2 4.36Å; F245-V274 HydrophobicContact CG-CB 3.8Å; F245-V274 HydrophobicContact CG-CG2 4.19Å; D272-V274 VanDerWaalsContact C-N 3.31Å; D272-V274 PolarHBondContact O-N 3.01Å; V274-K276 PolarHBondContact O-N 3.03Å; V274-C277 PolarHBondContact O-N 2.95Å; V274-L278 WeakPolarHBondContact O-CB 3.3Å; V274-L278 PolarHBondContact O-N 2.74Å; V274-L300 HydrophobicContact CG1-CD1 4.46Å; V274-L300 HydrophobicContact CG1-CD2 4.04Å; V274-L300 HydrophobicContact CG2-CD1 4.28Å; V274-L300 HydrophobicContact CG2-CD2 4.25Å
275H98.2Very high97.5Very high58 Ų5865.3 Ų65.327%0.26934%0.34SS..Hα-helixtrans-62.9-45.2-179.5-176.9-70.9000111.2S273 T279 L300S273-H275 VanDerWaalsContact C-N 3.33Å; S273-H275 PolarHBondContact O-N 3.22Å; H275-T279 WeakPolarHBondContact O-CB 3.28Å; H275-T279 PolarHBondContact O-N 3.27Å; H275-T279 PolarHBondContact O-OG1 3.36Å; H275-L300 HydrophobicContact CB-CD2 3.93Å
276K98.3Very high97.5Very high142 Ų14265.8 Ų65.862%0.61734%0.34SS*.Hα-helixtrans-63.7-48.5178.6178.9-177.2174.3-175.40110.8S273 V274 T279 L280S273-K276 WeakPolarHBondContact O-CB 3.46Å; S273-K276 PolarHBondContact O-N 3.01Å; V274-K276 PolarHBondContact O-N 3.03Å; K276-T279 PolarHBondContact O-N 3.34Å; K276-L280 HydrophobicContact CG-CD1 4.09Å; K276-L280 VanDerWaalsContact O-CG 3.31Å; K276-L280 WeakPolarHBondContact O-CG 3.47Å; K276-L280 PolarHBondContact O-N 3.03Å
277C98.3Very high97.5Very high35 Ų3566 Ų6624%0.23634%0.341CS..Hα-helixtrans-63.9-41.6-179.3-69.20000111.7F245 S273 V274 L280 L281F245-C277 HydrophobicContact CE1-CB 3.67Å; F245-C277 HydrophobicContact CZ-CB 3.64Å; S273-C277 PolarHBondContact O-N 3Å; V274-C277 PolarHBondContact O-N 2.95Å; C277-L280 PolarHBondContact O-N 3.25Å; C277-L281 WeakPolarHBondContact O-CB 3.12Å; C277-L281 PolarHBondContact O-N 3.22Å
278L98.4Very high97.4Very high1 Ų169.9 Ų69.91%0.00536%0.355CS..Hα-helixtrans-63.1-43.3175.3-175.660.5000112L207 I236 V274 L280 L281 A282 I290 L300 A303 V304L207-L278 HydrophobicContact CD2-CD2 3.97Å; I236-L278 HydrophobicContact CD1-CB 4.07Å; I236-L278 HydrophobicContact CD1-CD1 4.13Å; V274-L278 WeakPolarHBondContact O-CB 3.3Å; V274-L278 PolarHBondContact O-N 2.74Å; L278-L280 PolarHBondContact O-N 2.99Å; L278-L281 PolarHBondContact O-N 3.12Å; L278-A282 WeakPolarHBondContact O-CB 3.46Å; L278-A282 PolarHBondContact O-N 3.15Å; L278-I290 HydrophobicContact CD1-CG2 4.36Å; L278-L300 HydrophobicContact CD2-CB 4.1Å; L278-L300 HydrophobicContact CD2-CD2 4.34Å; L278-L300 WeakPolarHBondContact CD2-O 3.22Å; L278-A303 HydrophobicContact CD2-CB 4.37Å; L278-V304 HydrophobicContact CD1-CG2 3.78Å; L278-V304 HydrophobicContact CD2-CG2 3.87Å; L278-V304 HydrophobicContact CG-CG2 3.74Å
279T98.2Very high97.5Very high47 Ų4771.8 Ų71.829%0.28836%0.358SS..Hα-helixtrans-61.7-44.2176.8-57.20000111.5H275 K276 A282 S283H275-T279 WeakPolarHBondContact O-CB 3.28Å; H275-T279 PolarHBondContact O-N 3.27Å; H275-T279 PolarHBondContact O-OG1 3.36Å; K276-T279 PolarHBondContact O-N 3.34Å; T279-A282 PolarHBondContact O-N 2.99Å; T279-S283 WeakPolarHBondContact O-CB 3.41Å; T279-S283 PolarHBondContact O-N 3.14Å; T279-S283 PolarHBondContact O-OG 3.32Å
280L98Very high97.5Very high106 Ų10669 Ų6956%0.55535%0.345SS*.Hα-helixtrans-64.1-42.7177.6-71.6170.7000111.6K276 C277 L278 S283K276-L280 HydrophobicContact CG-CD1 4.09Å; K276-L280 VanDerWaalsContact O-CG 3.31Å; K276-L280 WeakPolarHBondContact O-CG 3.47Å; K276-L280 PolarHBondContact O-N 3.03Å; C277-L280 PolarHBondContact O-N 3.25Å; L278-L280 PolarHBondContact O-N 2.99Å; L280-S283 PolarHBondContact O-N 3.14Å
281L97.6Very high97.5Very high21 Ų2165.3 Ų65.311%0.1132%0.321CS..Hα-helixtrans-60.9-47.2174.9179.164.2000111.3A205 I236 C277 L278 S283 R284 V287 I290A205-L281 HydrophobicContact CB-CD2 3.71Å; I236-L281 HydrophobicContact CG2-CD2 3.8Å; C277-L281 WeakPolarHBondContact O-CB 3.12Å; C277-L281 PolarHBondContact O-N 3.22Å; L278-L281 PolarHBondContact O-N 3.12Å; L281-S283 PolarHBondContact O-N 2.97Å; L281-R284 WeakPolarHBondContact O-CB 3.14Å; L281-R284 PolarHBondContact O-N 3.24Å; L281-V287 HydrophobicContact CD1-CG2 4.05Å; L281-I290 HydrophobicContact CD2-CD1 4.39Å; L281-I290 HydrophobicContact CG-CD1 4.25Å
282A97.6Very high97.5Very high8 Ų863.9 Ų63.97%0.06632%0.315CS..Hα-helixtrans-68.2-19.8-179.400000113.8L278 T279 R284 I290 V304L278-A282 WeakPolarHBondContact O-CB 3.46Å; L278-A282 PolarHBondContact O-N 3.15Å; T279-A282 PolarHBondContact O-N 2.99Å; A282-R284 VanDerWaalsContact C-N 3.34Å; A282-I290 HydrophobicContact CB-CD1 3.69Å; A282-V304 HydrophobicContact CB-CG1 4.44Å; A282-V304 HydrophobicContact CB-CG2 4.43Å
283S96.9Very high97.4Very high87 Ų8757.7 Ų57.761%0.60828%0.282SS*.THydrogen-bonded Turntrans-83.7-8.9177.1-59.30000113.5T279 L280 L281T279-S283 WeakPolarHBondContact O-CB 3.41Å; T279-S283 PolarHBondContact O-N 3.14Å; T279-S283 PolarHBondContact O-OG 3.32Å; L280-S283 PolarHBondContact O-N 3.14Å; L281-S283 PolarHBondContact O-N 2.97Å
284R96.8Very high96.9Very high126 Ų12658.1 Ų58.148%0.47528%0.284SS..  trans-72.5131.5178.6-76.717457.4175.7-0.4111.1L281 A282 D286 V287L281-R284 WeakPolarHBondContact O-CB 3.14Å; L281-R284 PolarHBondContact O-N 3.24Å; A282-R284 VanDerWaalsContact C-N 3.34Å; R284-D286 WeakPolarHBondContact CB-OD1 3.32Å; R284-D286 IonicContact CZ-OD1 3.81Å; R284-D286 IonicContact CZ-OD2 3.53Å; R284-D286 IonicContact NE-OD1 3.14Å; R284-D286 PolarHBondContact NE-OD1 3.12Å; R284-D286 VanDerWaalsContact NE-OD1 3.14Å; R284-D286 IonicContact NE-OD2 3.64Å; R284-D286 IonicContact NH2-OD1 3.6Å; R284-D286 IonicContact NH2-OD2 2.68Å; R284-D286 PolarHBondContact NH2-OD2 2.87Å; R284-D286 PolarHBondContact O-N 3.36Å; R284-V287 HydrophobicContact CB-CB 4.34Å; R284-V287 HydrophobicContact CB-CG2 3.85Å; R284-V287 PolarHBondContact O-N 3.15Å; R284-V287 VanDerWaalsContact O-N 3.11Å
285K94.7Very high96.4Very high207 Ų20759.8 Ų59.890%0.929%0.292SS*.THydrogen-bonded Turntrans-65.1-26.4-178.1-66.2-173.6179.3-178.70114V287K285-V287 VanDerWaalsContact C-N 3.3Å
286D95.3Very high96.2Very high87 Ų8757 Ų5747%0.46528%0.279SS..THydrogen-bonded Turntrans-80.8-11.2178.362.2-57.2000113Q204 R284Q204-D286 PolarHBondContact NE2-O 2.69Å; R284-D286 WeakPolarHBondContact CB-OD1 3.32Å; R284-D286 IonicContact CZ-OD1 3.81Å; R284-D286 IonicContact CZ-OD2 3.53Å; R284-D286 IonicContact NE-OD1 3.14Å; R284-D286 PolarHBondContact NE-OD1 3.12Å; R284-D286 VanDerWaalsContact NE-OD1 3.14Å; R284-D286 IonicContact NE-OD2 3.64Å; R284-D286 IonicContact NH2-OD1 3.6Å; R284-D286 IonicContact NH2-OD2 2.68Å; R284-D286 PolarHBondContact NH2-OD2 2.87Å; R284-D286 PolarHBondContact O-N 3.36Å
287V96.1Very high96.2Very high11 Ų1150.4 Ų50.47%0.06725%0.25CS..  trans-91.5116.1176.8178.90000109.7L281 R284 K285 I290 V308L281-V287 HydrophobicContact CD1-CG2 4.05Å; R284-V287 HydrophobicContact CB-CB 4.34Å; R284-V287 HydrophobicContact CB-CG2 3.85Å; R284-V287 PolarHBondContact O-N 3.15Å; R284-V287 VanDerWaalsContact O-N 3.11Å; K285-V287 VanDerWaalsContact C-N 3.3Å; V287-I290 HydrophobicContact CG1-CD1 3.87Å; V287-I290 HydrophobicContact CG1-CG1 3.59Å; V287-V308 WeakPolarHBondContact O-CG1 3.25Å
288Q96.8Very high96.2Very high147 Ų14750.9 Ų50.969%0.68725%0.247SC*.  trans-110.6-20.5-179.4-59.5-170.9-2.800112.9V308Q288-V308 WeakPolarHBondContact O-CA 3.27Å
289R98.3Very high96.1Very high95 Ų9551 Ų5136%0.35825%0.249SC..  trans-149.4118.2-177.5-169.7174.8-65.5-103.2-7.1112.6V201 K202 A203 Q204 A205 V308 F310V201-R289 VanDerWaalsContact O-CD 3.26Å; V201-R289 WeakPolarHBondContact O-CD 3.18Å; K202-R289 WeakPolarHBondContact O-CB 3.44Å; K202-R289 WeakPolarHBondContact O-CD 3.38Å; A203-R289 HydrophobicContact CB-CG 4.3Å; Q204-R289 PolarHBondContact N-O 3.43Å; A205-R289 PolarHBondContact N-O 3.05Å; R289-V308 CarbonylContact C-O 3.3Å; R289-V308 VanDerWaalsContact CA-O 3.31Å; R289-V308 WeakPolarHBondContact CA-O 3.47Å; R289-F310 HydrophobicContact CG-CB 3.6Å; R289-F310 HydrophobicContact CG-CG 4.28Å
290I98.6Very high96.1Very high1 Ų148.8 Ų48.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-115.8122.3170.9-57.2-179.2000107.8A205 L278 L281 A282 V287 I292 V304 V308 F310A205-I290 HydrophobicContact CB-CG1 4.26Å; A205-I290 HydrophobicContact CB-CG2 4.25Å; A205-I290 WeakPolarHBondContact O-CA 3.46Å; L278-I290 HydrophobicContact CD1-CG2 4.36Å; L281-I290 HydrophobicContact CD2-CD1 4.39Å; L281-I290 HydrophobicContact CG-CD1 4.25Å; A282-I290 HydrophobicContact CB-CD1 3.69Å; V287-I290 HydrophobicContact CG1-CD1 3.87Å; V287-I290 HydrophobicContact CG1-CG1 3.59Å; I290-I292 HydrophobicContact CG2-CD1 3.7Å; I290-I292 HydrophobicContact CG2-CG1 4.2Å; I290-V304 HydrophobicContact CB-CG1 4.03Å; I290-V304 HydrophobicContact CD1-CG1 4.11Å; I290-V304 HydrophobicContact CD1-CG2 4.35Å; I290-V304 HydrophobicContact CG1-CG1 4.48Å; I290-V304 HydrophobicContact CG2-CG1 4.49Å; I290-V304 HydrophobicContact CG2-CG2 4.34Å; I290-V308 PolarHBondContact N-O 3.28Å; I290-F310 PolarHBondContact O-N 3.11Å
291W98.4Very high96.1Very high4 Ų445 Ų452%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-79.6120175.6-168.3-11.7000110K197 M198 V201 A203 A205 L206 L207 F310 D312 Q313 P315K197-W291 HydrophobicContact CG-CH2 4.04Å; K197-W291 HydrophobicContact CG-CZ3 4.07Å; M198-W291 HydrophobicContact CG-CE3 4.29Å; V201-W291 HydrophobicContact CG2-CE3 3.75Å; V201-W291 HydrophobicContact CG2-CH2 4.28Å; V201-W291 HydrophobicContact CG2-CZ3 3.64Å; A203-W291 HydrophobicContact CB-CB 3.98Å; A203-W291 HydrophobicContact CB-CE3 4.34Å; A205-W291 PolarHBondContact O-N 3.28Å; L206-W291 HydrophobicContact CB-CB 4.34Å; L206-W291 HydrophobicContact CD1-CB 3.75Å; L206-W291 HydrophobicContact CD1-CD2 3.9Å; L206-W291 HydrophobicContact CD1-CE3 4.3Å; L206-W291 HydrophobicContact CD1-CG 3.63Å; L207-W291 PolarHBondContact N-O 2.85Å; W291-F310 CarbonylContact C-O 3.48Å; W291-F310 VanDerWaalsContact CA-O 3.31Å; W291-F310 WeakPolarHBondContact CA-O 3.43Å; W291-F310 HydrophobicContact CB-CD1 4.03Å; W291-F310 AromaticContact CD1-CD1 3.91Å; W291-F310 HydrophobicContact CD2-CD1 4.13Å; W291-F310 AromaticContact CD2-CE1 3.98Å; W291-F310 HydrophobicContact CD2-CE1 3.98Å; W291-F310 AromaticContact CE2-CE1 3.94Å; W291-F310 AromaticContact CG-CD1 3.76Å; W291-F310 HydrophobicContact CG-CD1 3.76Å; W291-F310 HydrophobicContact CG-CE1 4.07Å; W291-F310 HydrophobicContact CZ2-CE1 4.38Å; W291-D312 HydrophobicContact CZ2-CB 4.16Å; W291-D312 PolarHBondContact NE1-O 3.27Å; W291-Q313 WeakPolarHBondContact CZ2-O 3.47Å; W291-Q313 PolarHBondContact NE1-O 3.13Å; W291-P315 HydrophobicContact CE3-CG 4.34Å; W291-P315 HydrophobicContact CH2-CB 3.76Å; W291-P315 HydrophobicContact CH2-CG 3.82Å; W291-P315 HydrophobicContact CZ2-CB 4.47Å; W291-P315 HydrophobicContact CZ2-CG 4.39Å; W291-P315 HydrophobicContact CZ3-CB 4.07Å; W291-P315 HydrophobicContact CZ3-CG 3.77Å
292I97.8Very high96.1Very high0 Ų046.5 Ų46.50%023%0.226CC..EExtended strand (participates in β ladder)trans-122.3113.3177.3-55.5-60.9000109.1L207 I290 T296 Y301 V304 R309 F310 V311L207-I292 HydrophobicContact CB-CD1 3.61Å; L207-I292 HydrophobicContact CD2-CD1 3.9Å; L207-I292 HydrophobicContact CG-CD1 4.44Å; I290-I292 HydrophobicContact CG2-CD1 3.7Å; I290-I292 HydrophobicContact CG2-CG1 4.2Å; I292-T296 HydrophobicContact CG2-CG2 4Å; I292-Y301 HydrophobicContact CG2-CD2 4.02Å; I292-V304 HydrophobicContact CD1-CG2 3.92Å; I292-V304 HydrophobicContact CG1-CB 4.48Å; I292-V304 HydrophobicContact CG1-CG2 4.18Å; I292-R309 HydrophobicContact CB-CG 4.43Å; I292-R309 HydrophobicContact CG1-CG 4.09Å; I292-F310 PolarHBondContact N-O 2.63Å; I292-V311 WeakPolarHBondContact O-CA 3.35Å
293P93.8Very high96.1Very high1 Ų146.8 Ų46.81%0.00623%0.228CC..  trans-59.3145.4173.1-23.834.4000113.2L206 L207 E295 T296 D312L206-P293 HydrophobicContact CD1-CG 4.41Å; L207-P293 WeakPolarHBondContact O-CD 3.48Å; P293-E295 VanDerWaalsContact C-N 3.27Å; P293-E295 VanDerWaalsContact CB-CD 3.44Å; P293-E295 HydrophobicContact CB-CG 4.33Å; P293-E295 WeakPolarHBondContact CB-OE1 3.11Å; P293-E295 PolarHBondContact O-N 3.14Å; P293-T296 WeakPolarHBondContact O-CB 3.33Å; P293-T296 PolarHBondContact O-N 2.8Å; P293-T296 VanDerWaalsContact O-N 3.1Å; P293-T296 PolarHBondContact O-OG1 2.94Å; P293-T296 VanDerWaalsContact O-OG1 3.08Å; P293-D312 WeakPolarHBondContact CA-O 3.49Å
294P89Confident96.2Very high31 Ų3142.7 Ų42.720%0.20120%0.199CC..THydrogen-bonded Turntrans-64.9-28.4-175.424.2-33000113.9S134 T296 V311 D312S134-P294 PolarHBondContact OG-O 3.49Å; P294-T296 PolarHBondContact O-N 2.91Å; P294-V311 HydrophobicContact CB-CG1 4.11Å; P294-D312 WeakPolarHBondContact CD-O 3.29Å
295E86.7Confident96.2Very high40 Ų4039.2 Ų39.219%0.18719%0.193CC..THydrogen-bonded Turntrans-71.6-12.4175.463.3-83.4-170.400113.9P293 N297P293-E295 VanDerWaalsContact C-N 3.27Å; P293-E295 VanDerWaalsContact CB-CD 3.44Å; P293-E295 HydrophobicContact CB-CG 4.33Å; P293-E295 WeakPolarHBondContact CB-OE1 3.11Å; P293-E295 PolarHBondContact O-N 3.14Å; E295-N297 PolarHBondContact O-N 3.44Å
296T95.4Very high96.3Very high0 Ų036.9 Ų36.90%019%0.186CC..SBendtrans-57139.3173.8-63.70000110.4S134 L207 S209 I292 P293 P294 L300S134-T296 WeakPolarHBondContact CB-O 3.42Å; S134-T296 PolarHBondContact N-O 3.44Å; L207-T296 HydrophobicContact CD2-CG2 3.63Å; S209-T296 PolarHBondContact OG-OG1 3.17Å; I292-T296 HydrophobicContact CG2-CG2 4Å; P293-T296 WeakPolarHBondContact O-CB 3.33Å; P293-T296 PolarHBondContact O-N 2.8Å; P293-T296 VanDerWaalsContact O-N 3.1Å; P293-T296 PolarHBondContact O-OG1 2.94Å; P293-T296 VanDerWaalsContact O-OG1 3.08Å; P294-T296 PolarHBondContact O-N 2.91Å; T296-L300 HydrophobicContact CG2-CB 3.76Å
297N97.2Very high96.4Very high4 Ų440.4 Ų40.42%0.02120%0.199CC..BIsolated β-bridgetrans-58.6150.7177.267.365.4000112.6A37 Y130 C132 E295 A299 L300 Y301A37-N297 PolarHBondContact O-ND2 3.09Å; Y130-N297 WeakPolarHBondContact O-CB 3.13Å; C132-N297 CarbonylContact O-C 3.44Å; C132-N297 VanDerWaalsContact O-CA 3.23Å; C132-N297 WeakPolarHBondContact O-CA 3.16Å; E295-N297 PolarHBondContact O-N 3.44Å; N297-A299 PolarHBondContact O-N 3.33Å; N297-A299 WeakPolarHBondContact OD1-CB 3.12Å; N297-A299 PolarHBondContact OD1-N 3.08Å; N297-L300 PolarHBondContact O-N 2.98Å; N297-L300 WeakPolarHBondContact OD1-CG 3.17Å; N297-L300 PolarHBondContact OD1-N 3.44Å; N297-Y301 WeakPolarHBondContact O-CB 3.05Å; N297-Y301 PolarHBondContact O-N 2.81Å
298Y97.6Very high96.5Very high44 Ų4441 Ų4117%0.17320%0.202CC..Hα-helixtrans-61.7-30.9-174.8-174.9-107.1000112.8P129 C132 F137 L138 Y301 S302P129-Y298 HydrophobicContact CB-CD1 4Å; P129-Y298 PolarHBondContact O-N 3.27Å; C132-Y298 PolarHBondContact O-N 3.24Å; F137-Y298 HydrophobicContact CB-CD2 3.74Å; F137-Y298 HydrophobicContact CB-CE2 4.38Å; F137-Y298 HydrophobicContact CB-CG 3.83Å; F137-Y298 AromaticContact CD1-CD1 3.89Å; F137-Y298 HydrophobicContact CD1-CD1 3.89Å; F137-Y298 AromaticContact CD1-CD2 3.57Å; F137-Y298 HydrophobicContact CD1-CD2 3.57Å; F137-Y298 AromaticContact CD1-CE1 3.69Å; F137-Y298 HydrophobicContact CD1-CE1 3.69Å; F137-Y298 AromaticContact CD1-CE2 3.35Å; F137-Y298 HydrophobicContact CD1-CE2 3.35Å; F137-Y298 AromaticContact CD1-CG 3.83Å; F137-Y298 HydrophobicContact CD1-CG 3.83Å; F137-Y298 AromaticContact CD1-CZ 3.41Å; F137-Y298 VanDerWaalsContact CD1-CZ 3.41Å; F137-Y298 AromaticContact CD2-CD1 3.77Å; F137-Y298 HydrophobicContact CD2-CD1 3.77Å; F137-Y298 HydrophobicContact CD2-CD2 4.43Å; F137-Y298 HydrophobicContact CD2-CE1 4.21Å; F137-Y298 AromaticContact CD2-CG 3.89Å; F137-Y298 HydrophobicContact CD2-CG 3.89Å; F137-Y298 AromaticContact CE1-CD1 4Å; F137-Y298 HydrophobicContact CE1-CD1 4Å; F137-Y298 HydrophobicContact CE1-CD2 4.32Å; F137-Y298 AromaticContact CE1-CE1 3.44Å; F137-Y298 HydrophobicContact CE1-CE1 3.44Å; F137-Y298 VanDerWaalsContact CE1-CE1 3.44Å; F137-Y298 AromaticContact CE1-CE2 3.81Å; F137-Y298 HydrophobicContact CE1-CE2 3.81Å; F137-Y298 HydrophobicContact CE1-CG 4.4Å; F137-Y298 AromaticContact CE1-CZ 3.33Å; F137-Y298 AromaticContact CE2-CD1 3.86Å; F137-Y298 HydrophobicContact CE2-CD1 3.86Å; F137-Y298 AromaticContact CE2-CE1 3.97Å; F137-Y298 HydrophobicContact CE2-CE1 3.97Å; F137-Y298 HydrophobicContact CE2-CG 4.44Å; F137-Y298 AromaticContact CG-CD1 3.8Å; F137-Y298 HydrophobicContact CG-CD1 3.8Å; F137-Y298 AromaticContact CG-CD2 3.65Å; F137-Y298 HydrophobicContact CG-CD2 3.65Å; F137-Y298 HydrophobicContact CG-CE1 4.1Å; F137-Y298 AromaticContact CG-CE2 3.96Å; F137-Y298 HydrophobicContact CG-CE2 3.96Å; F137-Y298 AromaticContact CG-CG 3.56Å; F137-Y298 HydrophobicContact CG-CG 3.56Å; F137-Y298 AromaticContact CZ-CD1 3.99Å; F137-Y298 HydrophobicContact CZ-CD1 3.99Å; F137-Y298 AromaticContact CZ-CE1 3.6Å; F137-Y298 HydrophobicContact CZ-CE1 3.6Å; F137-Y298 AromaticContact CZ-CZ 4Å; L138-Y298 HydrophobicContact CD2-CE2 4.13Å; L138-Y298 HydrophobicContact CG-CE2 4.41Å; Y298-Y301 AromaticContact CD2-CD1 3.93Å; Y298-Y301 HydrophobicContact CD2-CD1 3.93Å; Y298-Y301 AromaticContact CE2-CD1 4Å; Y298-Y301 HydrophobicContact CE2-CD1 4Å; Y298-Y301 HydrophobicContact CE2-CE1 4.28Å; Y298-S302 WeakPolarHBondContact O-CB 3.49Å; Y298-S302 PolarHBondContact O-N 3.13Å; Y298-S302 PolarHBondContact O-OG 3.17Å
299A98Very high96.5Very high4 Ų436.3 Ų36.33%0.03318%0.179CC..Hα-helixtrans-59.5-56177.400000111.4P129 Y130 N297 S302 A303P129-A299 HydrophobicContact CB-CB 3.95Å; P129-A299 HydrophobicContact CG-CB 4.1Å; P129-A299 PolarHBondContact O-N 3.01Å; Y130-A299 HydrophobicContact CD1-CB 3.74Å; Y130-A299 HydrophobicContact CD2-CB 3.95Å; Y130-A299 HydrophobicContact CE1-CB 3.62Å; Y130-A299 HydrophobicContact CE2-CB 3.84Å; Y130-A299 HydrophobicContact CG-CB 3.9Å; N297-A299 PolarHBondContact O-N 3.33Å; N297-A299 WeakPolarHBondContact OD1-CB 3.12Å; N297-A299 PolarHBondContact OD1-N 3.08Å; A299-S302 PolarHBondContact O-N 2.99Å; A299-S302 PolarHBondContact O-OG 3.46Å; A299-A303 PolarHBondContact O-N 3.07Å; A299-A303 VanDerWaalsContact O-N 3.09Å
300L98.3Very high96.5Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-68.6-36.1179.5-62.6-177.6000112.6L207 Y234 V274 H275 L278 T296 N297 A303L207-L300 HydrophobicContact CD2-CB 3.9Å; L207-L300 HydrophobicContact CD2-CD1 4.03Å; Y234-L300 HydrophobicContact CD1-CD1 3.74Å; Y234-L300 HydrophobicContact CE1-CD1 3.36Å; V274-L300 HydrophobicContact CG1-CD1 4.46Å; V274-L300 HydrophobicContact CG1-CD2 4.04Å; V274-L300 HydrophobicContact CG2-CD1 4.28Å; V274-L300 HydrophobicContact CG2-CD2 4.25Å; H275-L300 HydrophobicContact CB-CD2 3.93Å; L278-L300 HydrophobicContact CD2-CB 4.1Å; L278-L300 HydrophobicContact CD2-CD2 4.34Å; L278-L300 WeakPolarHBondContact CD2-O 3.22Å; T296-L300 HydrophobicContact CG2-CB 3.76Å; N297-L300 PolarHBondContact O-N 2.98Å; N297-L300 WeakPolarHBondContact OD1-CG 3.17Å; N297-L300 PolarHBondContact OD1-N 3.44Å; L300-A303 WeakPolarHBondContact O-CB 3.43Å; L300-A303 PolarHBondContact O-N 2.92Å
301Y98Very high96.3Very high28 Ų2836.7 Ų36.711%0.1119%0.188CC..Hα-helixtrans-57.3-50.4171.9173.5-90.4000111.3S134 L138 I292 N297 Y298 A303 V304 R309 V311S134-Y301 WeakPolarHBondContact OG-CD2 3.46Å; L138-Y301 HydrophobicContact CD1-CE1 3.82Å; L138-Y301 WeakPolarHBondContact CD1-OH 3.44Å; L138-Y301 HydrophobicContact CG-CE1 4.5Å; I292-Y301 HydrophobicContact CG2-CD2 4.02Å; N297-Y301 WeakPolarHBondContact O-CB 3.05Å; N297-Y301 PolarHBondContact O-N 2.81Å; Y298-Y301 AromaticContact CD2-CD1 3.93Å; Y298-Y301 HydrophobicContact CD2-CD1 3.93Å; Y298-Y301 AromaticContact CE2-CD1 4Å; Y298-Y301 HydrophobicContact CE2-CD1 4Å; Y298-Y301 HydrophobicContact CE2-CE1 4.28Å; Y301-A303 VanDerWaalsContact C-N 3.29Å; Y301-A303 PolarHBondContact O-N 3.43Å; Y301-V304 PolarHBondContact O-N 3.32Å; Y301-R309 VanDerWaalsContact CZ-CD 3.49Å; Y301-R309 PolarHBondContact O-NE 2.87Å; Y301-R309 PolarHBondContact O-NH2 3.3Å; Y301-R309 PolarHBondContact OH-NH1 3.36Å; Y301-V311 HydrophobicContact CE2-CG2 3.68Å
302S97.2Very high96.1Very high51 Ų5140.1 Ų40.136%0.35721%0.207SC..Hα-helixtrans-67.8-26.7-177.172.80000113.4Y298 A299 V304Y298-S302 WeakPolarHBondContact O-CB 3.49Å; Y298-S302 PolarHBondContact O-N 3.13Å; Y298-S302 PolarHBondContact O-OG 3.17Å; A299-S302 PolarHBondContact O-N 2.99Å; A299-S302 PolarHBondContact O-OG 3.46Å; S302-V304 PolarHBondContact O-N 3.3Å
303A97.6Very high95.7Very high15 Ų1542.7 Ų42.712%0.12422%0.219CC..Hα-helixtrans-62.3-23.3175.900000113.9L278 A299 L300 Y301L278-A303 HydrophobicContact CD2-CB 4.37Å; A299-A303 PolarHBondContact O-N 3.07Å; A299-A303 VanDerWaalsContact O-N 3.09Å; L300-A303 WeakPolarHBondContact O-CB 3.43Å; L300-A303 PolarHBondContact O-N 2.92Å; Y301-A303 VanDerWaalsContact C-N 3.29Å; Y301-A303 PolarHBondContact O-N 3.43Å
304V98.3Very high95.7Very high0 Ų042.7 Ų42.70%022%0.219CC..SBendtrans-96118.1177.4179.50000109.8L278 A282 I290 I292 Y301 S302 V308 R309L278-V304 HydrophobicContact CD1-CG2 3.78Å; L278-V304 HydrophobicContact CD2-CG2 3.87Å; L278-V304 HydrophobicContact CG-CG2 3.74Å; A282-V304 HydrophobicContact CB-CG1 4.44Å; A282-V304 HydrophobicContact CB-CG2 4.43Å; I290-V304 HydrophobicContact CB-CG1 4.03Å; I290-V304 HydrophobicContact CD1-CG1 4.11Å; I290-V304 HydrophobicContact CD1-CG2 4.35Å; I290-V304 HydrophobicContact CG1-CG1 4.48Å; I290-V304 HydrophobicContact CG2-CG1 4.49Å; I290-V304 HydrophobicContact CG2-CG2 4.34Å; I292-V304 HydrophobicContact CD1-CG2 3.92Å; I292-V304 HydrophobicContact CG1-CB 4.48Å; I292-V304 HydrophobicContact CG1-CG2 4.18Å; Y301-V304 PolarHBondContact O-N 3.32Å; S302-V304 PolarHBondContact O-N 3.3Å; V304-V308 HydrophobicContact CG1-CG2 3.8Å; V304-R309 HydrophobicContact CB-CG 4.37Å; V304-R309 HydrophobicContact CG1-CB 3.85Å; V304-R309 HydrophobicContact CG1-CG 4.06Å; V304-R309 PolarHBondContact O-NE 3.17Å; V304-R309 PolarHBondContact O-NH2 3.02Å
305P97.5Very high96Very high53 Ų5341.7 Ų41.734%0.34421%0.212SC..  trans-58.8144.8-179.5-24.935000113.4Q307 V308 R309P305-Q307 PolarHBondContact O-N 3.32Å; P305-V308 HydrophobicContact CB-CG2 4.34Å; P305-V308 HydrophobicContact CG-CG2 4.48Å; P305-V308 WeakPolarHBondContact O-CG2 3.49Å; P305-V308 PolarHBondContact O-N 2.97Å; P305-R309 WeakPolarHBondContact O-CB 3.41Å; P305-R309 PolarHBondContact O-N 3.13Å
306Q96.8Very high96.5Very high159 Ų15939.8 Ų39.874%0.74320%0.204SC*.THydrogen-bonded Turntrans-53.2-32.7-177-175.4-179.50.500113.1V308 R309Q306-V308 VanDerWaalsContact C-N 3.27Å; Q306-V308 PolarHBondContact O-N 3.36Å; Q306-R309 PolarHBondContact O-N 3.04Å
307Q97Very high96.3Very high161 Ų16140.9 Ų40.975%0.75221%0.209SC*.THydrogen-bonded Turntrans-67.5-26.4-177.7-58.180.29.100113.3P305P305-Q307 PolarHBondContact O-N 3.32Å
308V98Very high96Very high22 Ų2241.6 Ų41.613%0.13321%0.213CC..THydrogen-bonded Turntrans-112.7-3.4-179.4-57.60000112.5V287 Q288 R289 I290 V304 P305 Q306V287-V308 WeakPolarHBondContact O-CG1 3.25Å; Q288-V308 WeakPolarHBondContact O-CA 3.27Å; R289-V308 CarbonylContact C-O 3.3Å; R289-V308 VanDerWaalsContact CA-O 3.31Å; R289-V308 WeakPolarHBondContact CA-O 3.47Å; I290-V308 PolarHBondContact N-O 3.28Å; V304-V308 HydrophobicContact CG1-CG2 3.8Å; P305-V308 HydrophobicContact CB-CG2 4.34Å; P305-V308 HydrophobicContact CG-CG2 4.48Å; P305-V308 WeakPolarHBondContact O-CG2 3.49Å; P305-V308 PolarHBondContact O-N 2.97Å; Q306-V308 VanDerWaalsContact C-N 3.27Å; Q306-V308 PolarHBondContact O-N 3.36Å
309R97.9Very high95.9Very high50 Ų5041.6 Ų41.619%0.18922%0.215CC..EExtended strand (participates in β ladder)trans-82.3118.8-178-163.2-172.1-62.3147.7-6.5110.8I292 Y301 V304 P305 Q306 V311I292-R309 HydrophobicContact CB-CG 4.43Å; I292-R309 HydrophobicContact CG1-CG 4.09Å; Y301-R309 VanDerWaalsContact CZ-CD 3.49Å; Y301-R309 PolarHBondContact O-NE 2.87Å; Y301-R309 PolarHBondContact O-NH2 3.3Å; Y301-R309 PolarHBondContact OH-NH1 3.36Å; V304-R309 HydrophobicContact CB-CG 4.37Å; V304-R309 HydrophobicContact CG1-CB 3.85Å; V304-R309 HydrophobicContact CG1-CG 4.06Å; V304-R309 PolarHBondContact O-NE 3.17Å; V304-R309 PolarHBondContact O-NH2 3.02Å; P305-R309 WeakPolarHBondContact O-CB 3.41Å; P305-R309 PolarHBondContact O-N 3.13Å; Q306-R309 PolarHBondContact O-N 3.04Å; R309-V311 HydrophobicContact CG-CG2 4.05Å
310F97.6Very high95.8Very high40 Ų4041.5 Ų41.518%0.17521%0.214CC..EExtended strand (participates in β ladder)trans-109117.7170.2172-116.8000109.4V201 R289 I290 W291 I292 D312V201-F310 HydrophobicContact CB-CE1 4.05Å; V201-F310 HydrophobicContact CB-CZ 4.32Å; V201-F310 HydrophobicContact CG1-CE1 4.48Å; V201-F310 HydrophobicContact CG2-CD1 4.48Å; V201-F310 HydrophobicContact CG2-CE1 3.91Å; R289-F310 HydrophobicContact CG-CB 3.6Å; R289-F310 HydrophobicContact CG-CG 4.28Å; I290-F310 PolarHBondContact O-N 3.11Å; W291-F310 CarbonylContact C-O 3.48Å; W291-F310 VanDerWaalsContact CA-O 3.31Å; W291-F310 WeakPolarHBondContact CA-O 3.43Å; W291-F310 HydrophobicContact CB-CD1 4.03Å; W291-F310 AromaticContact CD1-CD1 3.91Å; W291-F310 HydrophobicContact CD2-CD1 4.13Å; W291-F310 AromaticContact CD2-CE1 3.98Å; W291-F310 HydrophobicContact CD2-CE1 3.98Å; W291-F310 AromaticContact CE2-CE1 3.94Å; W291-F310 AromaticContact CG-CD1 3.76Å; W291-F310 HydrophobicContact CG-CD1 3.76Å; W291-F310 HydrophobicContact CG-CE1 4.07Å; W291-F310 HydrophobicContact CZ2-CE1 4.38Å; I292-F310 PolarHBondContact N-O 2.63Å; F310-D312 HydrophobicContact CE1-CB 3.77Å; F310-D312 HydrophobicContact CE2-CB 4.25Å; F310-D312 HydrophobicContact CZ-CB 3.58Å
311V95.3Very high95.7Very high64 Ų6441.8 Ų41.839%0.38822%0.216SC..EExtended strand (participates in β ladder)trans-107.1115.5-176.1-174.10000109.1I292 P294 Y301 R309I292-V311 WeakPolarHBondContact O-CA 3.35Å; P294-V311 HydrophobicContact CB-CG1 4.11Å; Y301-V311 HydrophobicContact CE2-CG2 3.68Å; R309-V311 HydrophobicContact CG-CG2 4.05Å
312D92.9Very high95.6Very high75 Ų7543.1 Ų43.140%0.40123%0.225SC..  trans-158.8161.1176.5-160.2-6.3000108.7W291 P293 P294 F310W291-D312 HydrophobicContact CZ2-CB 4.16Å; W291-D312 PolarHBondContact NE1-O 3.27Å; P293-D312 WeakPolarHBondContact CA-O 3.49Å; P294-D312 WeakPolarHBondContact CD-O 3.29Å; F310-D312 HydrophobicContact CE1-CB 3.77Å; F310-D312 HydrophobicContact CE2-CB 4.25Å; F310-D312 HydrophobicContact CZ-CB 3.58Å
313Q90.6Very high95.7Very high54 Ų5440.9 Ų40.925%0.25221%0.208SC..  trans-55.8144.1179.6-68.6-174.1-60.500111.3W291 L317 S517W291-Q313 WeakPolarHBondContact CZ2-O 3.47Å; W291-Q313 PolarHBondContact NE1-O 3.13Å; Q313-L317 HydrophobicContact CB-CD1 4.31Å; Q313-S517 PolarHBondContact OE1-OG 3Å
314S93.5Very high95.7Very high1 Ų142.1 Ų42.11%0.00721%0.213CC..  trans-56.3134.8175.6176.40000111E213 V316 L317E213-S314 WeakPolarHBondContact OE1-CB 3.21Å; E213-S314 WeakPolarHBondContact OE2-CB 3.26Å; E213-S314 PolarHBondContact OE2-OG 2.69Å; S314-V316 PolarHBondContact O-N 3.09Å; S314-V316 PolarHBondContact OG-N 3.34Å; S314-L317 WeakPolarHBondContact O-CB 3.35Å; S314-L317 PolarHBondContact O-N 2.99Å
315P94.8Very high95.7Very high11 Ų1147.7 Ų47.77%0.07124%0.239CC..Hα-helixtrans-64.3-22.7175.229.4-35.7000112.2V194 K197 L206 W291 L317 M319V194-P315 HydrophobicContact CG1-CG 4.07Å; K197-P315 HydrophobicContact CB-CB 4.08Å; K197-P315 HydrophobicContact CG-CB 3.52Å; K197-P315 HydrophobicContact CG-CG 4.43Å; L206-P315 HydrophobicContact CD2-CG 3.72Å; W291-P315 HydrophobicContact CE3-CG 4.34Å; W291-P315 HydrophobicContact CH2-CB 3.76Å; W291-P315 HydrophobicContact CH2-CG 3.82Å; W291-P315 HydrophobicContact CZ2-CB 4.47Å; W291-P315 HydrophobicContact CZ2-CG 4.39Å; W291-P315 HydrophobicContact CZ3-CB 4.07Å; W291-P315 HydrophobicContact CZ3-CG 3.77Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 3.2Å; P315-M319 HydrophobicContact CB-CE 4.32Å; P315-M319 VanDerWaalsContact O-CG 3.28Å; P315-M319 WeakPolarHBondContact O-CG 3.14Å; P315-M319 PolarHBondContact O-N 2.67Å
316V96.5Very high95.8Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-68.7-32.2-179.4-176.70000111.4V194 I208 E213 W216 S314 N318 M319 K320V194-V316 HydrophobicContact CG2-CG2 3.85Å; I208-V316 HydrophobicContact CD1-CG2 4.01Å; E213-V316 HydrophobicContact CB-CB 4.16Å; E213-V316 HydrophobicContact CB-CG1 3.78Å; E213-V316 HydrophobicContact CG-CB 3.98Å; E213-V316 HydrophobicContact CG-CG1 3.8Å; W216-V316 HydrophobicContact CD2-CG1 4.34Å; W216-V316 HydrophobicContact CE3-CG1 3.53Å; W216-V316 HydrophobicContact CZ3-CG1 3.93Å; S314-V316 PolarHBondContact O-N 3.09Å; S314-V316 PolarHBondContact OG-N 3.34Å; V316-N318 PolarHBondContact O-N 3.05Å; V316-M319 PolarHBondContact O-N 3.11Å; V316-K320 HydrophobicContact CG1-CD 4.35Å; V316-K320 WeakPolarHBondContact O-CG 3.49Å; V316-K320 PolarHBondContact O-N 2.88Å
317L92Very high95.9Very high22 Ų2241.3 Ų41.312%0.11521%0.206CC..Hα-helixtrans-52.6-54.3178.7-74.9169.5000112.1E213 Q313 S314 P315 A321 P504E213-L317 WeakPolarHBondContact OE1-CD2 3.33Å; E213-L317 VanDerWaalsContact OE1-CG 3.27Å; E213-L317 WeakPolarHBondContact OE1-CG 3.39Å; Q313-L317 HydrophobicContact CB-CD1 4.31Å; S314-L317 WeakPolarHBondContact O-CB 3.35Å; S314-L317 PolarHBondContact O-N 2.99Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 3.2Å; L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.18Å; L317-A321 PolarHBondContact O-N 2.85Å; L317-A321 VanDerWaalsContact O-N 3.08Å; L317-P504 HydrophobicContact CB-CG 4.34Å
318N90Very high95.9Very high19 Ų1934 Ų3410%0.10217%0.172CC..Hα-helixtrans-72.7-33-179.7-73.1-24.8000112.2V316 I322 P504 E518V316-N318 PolarHBondContact O-N 3.05Å; N318-I322 PolarHBondContact O-N 2.99Å; N318-P504 WeakPolarHBondContact OD1-CG 3.41Å; N318-E518 WeakPolarHBondContact ND2-CG 3.5Å; N318-E518 PolarHBondContact ND2-OE1 2.94Å
319M95.7Very high96Very high44 Ų4437.2 Ų37.222%0.21719%0.188CC..Hα-helixtrans-63.9-41.2177.9-71174.6-177.500112.4M193 V194 K197 W216 P315 V316M193-M319 HydrophobicContact CB-CE 4.31Å; M193-M319 HydrophobicContact CB-SD 4.38Å; V194-M319 HydrophobicContact CG2-CE 4.48Å; V194-M319 HydrophobicContact CG2-SD 3.8Å; K197-M319 HydrophobicContact CB-CE 3.95Å; K197-M319 HydrophobicContact CG-CE 4.44Å; W216-M319 HydrophobicContact CH2-CB 3.77Å; W216-M319 HydrophobicContact CZ2-CB 4.32Å; W216-M319 HydrophobicContact CZ3-CB 4.3Å; P315-M319 HydrophobicContact CB-CE 4.32Å; P315-M319 VanDerWaalsContact O-CG 3.28Å; P315-M319 WeakPolarHBondContact O-CG 3.14Å; P315-M319 PolarHBondContact O-N 2.67Å; V316-M319 PolarHBondContact O-N 3.11Å
320K96.9Very high96Very high3 Ų335.5 Ų35.51%0.01318%0.184CC..Hα-helixtrans-83.8-24.3178.575.3-175.2174.872.80113.9D212 E213 W216 V316 I322 K323 E502D212-K320 WeakPolarHBondContact OD2-CE 3.5Å; D212-K320 IonicContact OD2-NZ 3.55Å; D212-K320 PolarHBondContact OD2-NZ 3.16Å; E213-K320 HydrophobicContact CG-CD 4.48Å; W216-K320 HydrophobicContact CB-CD 4.29Å; W216-K320 HydrophobicContact CD2-CB 3.74Å; W216-K320 HydrophobicContact CG-CB 3.71Å; W216-K320 HydrophobicContact CG-CD 4.35Å; W216-K320 HydrophobicContact CZ2-CB 4.31Å; V316-K320 HydrophobicContact CG1-CD 4.35Å; V316-K320 WeakPolarHBondContact O-CG 3.49Å; V316-K320 PolarHBondContact O-N 2.88Å; K320-I322 PolarHBondContact O-N 3.43Å; K320-K323 PolarHBondContact O-NZ 2.91Å; K320-E502 VanDerWaalsContact NZ-CD 3.29Å; K320-E502 VanDerWaalsContact NZ-CG 3.26Å; K320-E502 IonicContact NZ-OE2 3.55Å; K320-E502 PolarHBondContact NZ-OE2 2.93Å
321A95.3Very high96.1Very high5 Ų533.6 Ų33.64%0.04118%0.176CC..Hα-helixtrans-64-32.4177.100000112.1L317 K323 M524L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.18Å; L317-A321 PolarHBondContact O-N 2.85Å; L317-A321 VanDerWaalsContact O-N 3.08Å; A321-K323 WeakPolarHBondContact O-CD 3.42Å; A321-K323 PolarHBondContact O-NZ 3.44Å; A321-K323 VanDerWaalsContact O-NZ 3.11Å; A321-M524 HydrophobicContact CB-CE 4.1Å; A321-M524 WeakPolarHBondContact O-CG 3.23Å
322I96.6Very high96.2Very high57 Ų5733.6 Ų33.629%0.29217%0.171SC..BIsolated β-bridgetrans-94.5107.9178.1-58.5172.7000109.2N318 K320 R521 N523 M524N318-I322 PolarHBondContact O-N 2.99Å; K320-I322 PolarHBondContact O-N 3.43Å; I322-R521 HydrophobicContact CD1-CB 4.21Å; I322-R521 HydrophobicContact CD1-CG 4.31Å; I322-R521 HydrophobicContact CG1-CB 4.37Å; I322-N523 HydrophobicContact CG2-CB 4.09Å; I322-M524 HydrophobicContact CG1-CE 3.92Å; I322-M524 HydrophobicContact CG1-CG 4.31Å
323K98.3Very high96.5Very high4 Ų433.9 Ų33.92%0.01717%0.17CC..  trans-75.5141.1-175.3-78.456.3179.41620110.3K320 A321 E327 I328 M331 V494 E502 N523 V525K320-K323 PolarHBondContact O-NZ 2.91Å; A321-K323 WeakPolarHBondContact O-CD 3.42Å; A321-K323 PolarHBondContact O-NZ 3.44Å; A321-K323 VanDerWaalsContact O-NZ 3.11Å; K323-E327 WeakPolarHBondContact CA-OE2 3.26Å; K323-E327 HydrophobicContact CB-CB 3.93Å; K323-E327 HydrophobicContact CG-CB 3.99Å; K323-I328 HydrophobicContact CB-CD1 4.48Å; K323-I328 HydrophobicContact CB-CG1 3.69Å; K323-M331 HydrophobicContact CG-SD 4.02Å; K323-V494 VanDerWaalsContact CE-O 3.3Å; K323-V494 WeakPolarHBondContact CE-O 3.23Å; K323-V494 PolarHBondContact NZ-O 2.63Å; K323-E502 IonicContact NZ-OE1 2.63Å; K323-E502 PolarHBondContact NZ-OE1 2.86Å; K323-N523 WeakPolarHBondContact CB-O 3.48Å; K323-N523 PolarHBondContact N-O 2.88Å; K323-N523 VanDerWaalsContact O-CB 3.26Å; K323-N523 WeakPolarHBondContact O-CB 3.48Å; K323-N523 PolarHBondContact O-ND2 3.24Å; K323-V525 HydrophobicContact CD-CG2 4.37Å; K323-V525 HydrophobicContact CG-CG2 4.48Å
324N98.4Very high96.9Very high41 Ų4131.3 Ų31.322%0.21916%0.158CC..  trans-78.3166.8168.172.971.5000110.9A183 I326 E327 I328A183-N324 PolarHBondContact O-ND2 3.22Å; N324-I326 PolarHBondContact O-N 3.4Å; N324-I326 WeakPolarHBondContact OD1-CB 3.34Å; N324-I326 PolarHBondContact OD1-N 3.47Å; N324-E327 PolarHBondContact N-OE2 3.2Å; N324-E327 VanDerWaalsContact ND2-CG 3.33Å; N324-E327 WeakPolarHBondContact ND2-CG 3.31Å; N324-E327 PolarHBondContact ND2-OE2 3.26Å; N324-E327 PolarHBondContact O-N 3.03Å; N324-E327 VanDerWaalsContact O-N 3.11Å; N324-E327 PolarHBondContact OD1-N 3Å; N324-I328 WeakPolarHBondContact O-CG1 3.28Å; N324-I328 PolarHBondContact O-N 3.5Å
325E98.4Very high97.1Very high117 Ų11731.3 Ų31.355%0.54716%0.158SC..Hα-helixtrans-57.8-34-175.7-67.4-61.3136.200113.7N329E325-N329 WeakPolarHBondContact O-CB 3.32Å; E325-N329 VanDerWaalsContact O-CG 3.29Å; E325-N329 PolarHBondContact O-N 2.7Å; E325-N329 VanDerWaalsContact O-N 3.09Å; E325-N329 PolarHBondContact O-ND2 3.23Å
326I98.7Very high97.3Very high72 Ų7231.3 Ų31.337%0.36916%0.157SC..Hα-helixtrans-68.6-48.7176.8-67.9168.9000109.4E181 G184 N324 I328 N329 S330E181-I326 WeakPolarHBondContact O-CG2 3.32Å; G184-I326 VanDerWaalsContact CA-CD1 3.46Å; N324-I326 PolarHBondContact O-N 3.4Å; N324-I326 WeakPolarHBondContact OD1-CB 3.34Å; N324-I326 PolarHBondContact OD1-N 3.47Å; I326-I328 VanDerWaalsContact C-N 3.31Å; I326-I328 PolarHBondContact O-N 2.93Å; I326-N329 PolarHBondContact O-N 3.37Å; I326-S330 WeakPolarHBondContact O-CB 3.28Å; I326-S330 PolarHBondContact O-N 2.91Å; I326-S330 PolarHBondContact O-OG 2.98Å; I326-S330 VanDerWaalsContact O-OG 3.07Å
327E98.7Very high97.4Very high5 Ų531.8 Ų31.82%0.02316%0.159CC..Hα-helixtrans-58.4-41.6176.7-65.3173.5133.600111.7F182 K323 N324 S330 M331 M496F182-E327 WeakPolarHBondContact O-CG 3.36Å; K323-E327 WeakPolarHBondContact CA-OE2 3.26Å; K323-E327 HydrophobicContact CB-CB 3.93Å; K323-E327 HydrophobicContact CG-CB 3.99Å; N324-E327 PolarHBondContact N-OE2 3.2Å; N324-E327 VanDerWaalsContact ND2-CG 3.33Å; N324-E327 WeakPolarHBondContact ND2-CG 3.31Å; N324-E327 PolarHBondContact ND2-OE2 3.26Å; N324-E327 PolarHBondContact O-N 3.03Å; N324-E327 VanDerWaalsContact O-N 3.11Å; N324-E327 PolarHBondContact OD1-N 3Å; E327-S330 PolarHBondContact O-N 3.27Å; E327-M331 WeakPolarHBondContact O-CB 3.35Å; E327-M331 VanDerWaalsContact O-CG 3.29Å; E327-M331 WeakPolarHBondContact O-CG 3.28Å; E327-M331 PolarHBondContact O-N 2.83Å; E327-M496 HydrophobicContact CB-CG 4.12Å; E327-M496 HydrophobicContact CB-SD 4.47Å; E327-M496 HydrophobicContact CG-CG 3.94Å
328I98.8Very high97.8Very high8 Ų830.9 Ų30.94%0.04116%0.155CC..Hα-helixtrans-61.1-49.7177.3-67.4167.8000111.1K323 N324 I326 S330 M331 K332 N523 L547K323-I328 HydrophobicContact CB-CD1 4.48Å; K323-I328 HydrophobicContact CB-CG1 3.69Å; N324-I328 WeakPolarHBondContact O-CG1 3.28Å; N324-I328 PolarHBondContact O-N 3.5Å; I326-I328 VanDerWaalsContact C-N 3.31Å; I326-I328 PolarHBondContact O-N 2.93Å; I328-S330 VanDerWaalsContact C-N 3.32Å; I328-S330 PolarHBondContact O-N 3.43Å; I328-M331 PolarHBondContact O-N 3.23Å; I328-K332 HydrophobicContact CG2-CD 4.31Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 3.28Å; I328-N523 HydrophobicContact CD1-CB 3.74Å; I328-N523 WeakPolarHBondContact CD1-ND2 3.11Å; I328-L547 HydrophobicContact CD1-CD1 4.28Å; I328-L547 HydrophobicContact CG1-CD1 4.09Å; I328-L547 HydrophobicContact CG2-CD1 4.23Å; I328-L547 HydrophobicContact CG2-CD2 3.66Å
329N98.7Very high98.2Very high89 Ų8930 Ų3048%0.47615%0.15SC..Hα-helixtrans-65.3-39.5-178.6-71.3-41.6000111.3E325 I326 K332 E333E325-N329 WeakPolarHBondContact O-CB 3.32Å; E325-N329 VanDerWaalsContact O-CG 3.29Å; E325-N329 PolarHBondContact O-N 2.7Å; E325-N329 VanDerWaalsContact O-N 3.09Å; E325-N329 PolarHBondContact O-ND2 3.23Å; I326-N329 PolarHBondContact O-N 3.37Å; N329-K332 PolarHBondContact O-N 3.14Å; N329-E333 PolarHBondContact O-N 2.87Å; N329-E333 VanDerWaalsContact O-N 3.14Å
330S98.6Very high98.3Very high14 Ų1428 Ų2810%0.09814%0.14CC..Hα-helixtrans-60.8-48.1172.5-66.50000111.9I326 E327 I328 K332 E333 A334 D425 M496I326-S330 WeakPolarHBondContact O-CB 3.28Å; I326-S330 PolarHBondContact O-N 2.91Å; I326-S330 PolarHBondContact O-OG 2.98Å; I326-S330 VanDerWaalsContact O-OG 3.07Å; E327-S330 PolarHBondContact O-N 3.27Å; I328-S330 VanDerWaalsContact C-N 3.32Å; I328-S330 PolarHBondContact O-N 3.43Å; S330-K332 VanDerWaalsContact C-N 3.3Å; S330-K332 PolarHBondContact O-N 2.93Å; S330-E333 PolarHBondContact O-N 3.42Å; S330-E333 VanDerWaalsContact O-N 3.13Å; S330-A334 PolarHBondContact O-N 3.22Å; S330-D425 CarbonylContact C-O 3.6Å; S330-D425 VanDerWaalsContact CB-O 3.25Å; S330-D425 WeakPolarHBondContact CB-O 3.32Å; S330-M496 VanDerWaalsContact CB-CE 3.41Å
331M98.8Very high98.4Very high1 Ų127.8 Ų27.81%0.00514%0.139CC..Hα-helixtrans-64.1-35.5179.3-72.2-172.880.900112.1K323 E327 I328 A334 H335 D425 V494 M496 V525K323-M331 HydrophobicContact CG-SD 4.02Å; E327-M331 WeakPolarHBondContact O-CB 3.35Å; E327-M331 VanDerWaalsContact O-CG 3.29Å; E327-M331 WeakPolarHBondContact O-CG 3.28Å; E327-M331 PolarHBondContact O-N 2.83Å; I328-M331 PolarHBondContact O-N 3.23Å; M331-A334 PolarHBondContact O-N 3.45Å; M331-H335 PolarHBondContact O-N 3.08Å; M331-H335 PolarHBondContact O-ND1 3.39Å; M331-D425 WeakPolarHBondContact CA-O 3.47Å; M331-D425 PolarHBondContact N-O 2.99Å; M331-D425 VanDerWaalsContact N-O 3.17Å; M331-V494 HydrophobicContact CE-CB 4.39Å; M331-V494 HydrophobicContact CE-CG1 4.06Å; M331-M496 HydrophobicContact CG-SD 3.41Å; M331-M496 WeakPolarHBondContact CG-SD 3.37Å; M331-M496 HydrophobicContact SD-CB 4.29Å; M331-M496 HydrophobicContact SD-SD 4.19Å; M331-V525 HydrophobicContact CE-CB 4.11Å; M331-V525 HydrophobicContact CE-CG1 3.87Å; M331-V525 HydrophobicContact CE-CG2 4.05Å; M331-V525 HydrophobicContact SD-CB 4.47Å; M331-V525 HydrophobicContact SD-CG2 3.85Å
332K98.8Very high98.6Very high63 Ų6327.7 Ų27.727%0.27414%0.138SC..Hα-helixtrans-58.4-48.8171.7-77.3177171.1-163.20111.4I328 N329 S330 A334 H335 V336 E565 L567I328-K332 HydrophobicContact CG2-CD 4.31Å; I328-K332 WeakPolarHBondContact O-CG 3.48Å; I328-K332 PolarHBondContact O-N 3.28Å; N329-K332 PolarHBondContact O-N 3.14Å; S330-K332 VanDerWaalsContact C-N 3.3Å; S330-K332 PolarHBondContact O-N 2.93Å; K332-A334 PolarHBondContact O-N 3.32Å; K332-H335 PolarHBondContact O-N 3.23Å; K332-V336 WeakPolarHBondContact O-CG2 3.45Å; K332-V336 PolarHBondContact O-N 3.15Å; K332-E565 WeakPolarHBondContact CE-OE1 3.15Å; K332-E565 IonicContact NZ-OE1 3.49Å; K332-E565 PolarHBondContact NZ-OE1 3.23Å; K332-L567 HydrophobicContact CG-CD2 3.53Å
333E98.5Very high98.7Very high82 Ų8225 Ų2538%0.38312%0.124SC..Hα-helixtrans-64.9-39.2177.8-75.8-57.9143.100112.9N329 S330 H335 V336 K337 R604N329-E333 PolarHBondContact O-N 2.87Å; N329-E333 VanDerWaalsContact O-N 3.14Å; S330-E333 PolarHBondContact O-N 3.42Å; S330-E333 VanDerWaalsContact O-N 3.13Å; E333-H335 VanDerWaalsContact C-N 3.33Å; E333-H335 PolarHBondContact O-N 3.5Å; E333-V336 PolarHBondContact O-N 3.5Å; E333-K337 WeakPolarHBondContact O-CE 3.39Å; E333-K337 WeakPolarHBondContact O-CG 3.17Å; E333-K337 PolarHBondContact O-N 3.31Å; E333-R604 IonicContact OE1-NH2 3.85Å; E333-R604 IonicContact OE2-CZ 3.02Å; E333-R604 IonicContact OE2-NH1 2.69Å; E333-R604 PolarHBondContact OE2-NH1 3.32Å; E333-R604 IonicContact OE2-NH2 3.03Å; E333-R604 PolarHBondContact OE2-NH2 2.98Å
334A98.8Very high98.8Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-57.3-45.8173.200000111.7S330 M331 K332 K337 D338 Y423 T428S330-A334 PolarHBondContact O-N 3.22Å; M331-A334 PolarHBondContact O-N 3.45Å; K332-A334 PolarHBondContact O-N 3.32Å; A334-K337 PolarHBondContact O-N 3.32Å; A334-D338 WeakPolarHBondContact O-CB 3.3Å; A334-D338 PolarHBondContact O-N 3.28Å; A334-Y423 HydrophobicContact CB-CD2 4.16Å; A334-Y423 HydrophobicContact CB-CG 4.39Å; A334-T428 HydrophobicContact CB-CG2 4.45Å
335H98.9Very high98.8Very high1 Ų123.5 Ų23.51%0.00512%0.116CC..Hα-helixtrans-71.1-31.8179.3-73.375000113.4M331 K332 E333 D338 S339 T427 A545 L567M331-H335 PolarHBondContact O-N 3.08Å; M331-H335 PolarHBondContact O-ND1 3.39Å; K332-H335 PolarHBondContact O-N 3.23Å; E333-H335 VanDerWaalsContact C-N 3.33Å; E333-H335 PolarHBondContact O-N 3.5Å; H335-D338 PolarHBondContact O-N 3.31Å; H335-S339 VanDerWaalsContact O-CB 3.25Å; H335-S339 WeakPolarHBondContact O-CB 3.26Å; H335-S339 PolarHBondContact O-N 3Å; H335-S339 PolarHBondContact O-OG 3.13Å; H335-T427 PolarHBondContact CE1-O 3.36Å; H335-T427 VanDerWaalsContact CE1-O 3.26Å; H335-A545 VanDerWaalsContact NE2-CB 3.3Å; H335-A545 WeakPolarHBondContact NE2-CB 3.48Å; H335-L567 HydrophobicContact CB-CB 4Å; H335-L567 VanDerWaalsContact CB-O 3.23Å; H335-L567 WeakPolarHBondContact CB-O 3.34Å
336V98.8Very high98.8Very high11 Ų1118 Ų187%0.0679%0.09CC..Hα-helixtrans-64.3-47.1172.61710000110.5K332 E333 D338 S339 V340 V600 R604K332-V336 WeakPolarHBondContact O-CG2 3.45Å; K332-V336 PolarHBondContact O-N 3.15Å; E333-V336 PolarHBondContact O-N 3.5Å; V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 PolarHBondContact O-N 2.98Å; V336-S339 PolarHBondContact O-N 2.78Å; V336-V340 WeakPolarHBondContact O-CG2 3.24Å; V336-V340 PolarHBondContact O-N 2.98Å; V336-V600 HydrophobicContact CG1-CG1 4.22Å; V336-V600 HydrophobicContact CG2-CG1 3.61Å; V336-R604 HydrophobicContact CG1-CB 4.3Å; V336-R604 HydrophobicContact CG1-CG 4.23Å
337K98.6Very high98.8Very high10 Ų1016.3 Ų16.34%0.0438%0.081CC..Hα-helixtrans-59.9-44.2175.4-71.1178.7-58-175.40112E333 A334 S339 V340 A341 Q376 P377 D425E333-K337 WeakPolarHBondContact O-CE 3.39Å; E333-K337 WeakPolarHBondContact O-CG 3.17Å; E333-K337 PolarHBondContact O-N 3.31Å; A334-K337 PolarHBondContact O-N 3.32Å; K337-S339 VanDerWaalsContact C-N 3.34Å; K337-V340 WeakPolarHBondContact O-CB 3.4Å; K337-V340 PolarHBondContact O-N 3.16Å; K337-A341 PolarHBondContact O-N 2.89Å; K337-A341 VanDerWaalsContact O-N 3.1Å; K337-Q376 HydrophobicContact CB-CB 4.12Å; K337-Q376 HydrophobicContact CB-CG 4.26Å; K337-Q376 WeakPolarHBondContact O-CG 3.21Å; K337-P377 HydrophobicContact CD-CB 4.4Å; K337-P377 WeakPolarHBondContact CD-O 3.29Å; K337-P377 PolarHBondContact NZ-O 3.46Å; K337-D425 WeakPolarHBondContact CE-OD2 3.41Å; K337-D425 IonicContact NZ-OD1 2.58Å; K337-D425 PolarHBondContact NZ-OD1 2.72Å; K337-D425 IonicContact NZ-OD2 2.73Å; K337-D425 PolarHBondContact NZ-OD2 3.45Å
338D98.9Very high98.8Very high3 Ų318.6 Ų18.62%0.0169%0.089CC..Hα-helixtrans-65.1-39.8178.4-161.753000111.9A334 H335 V336 V340 A341 L342 R373 Y423 T428A334-D338 WeakPolarHBondContact O-CB 3.3Å; A334-D338 PolarHBondContact O-N 3.28Å; H335-D338 PolarHBondContact O-N 3.31Å; V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 PolarHBondContact O-N 2.98Å; D338-V340 VanDerWaalsContact C-N 3.33Å; D338-V340 PolarHBondContact O-N 2.76Å; D338-A341 WeakPolarHBondContact O-CB 3.47Å; D338-A341 PolarHBondContact O-N 2.87Å; D338-L342 PolarHBondContact O-N 3.44Å; D338-R373 IonicContact OD1-CZ 3.41Å; D338-R373 IonicContact OD1-NE 2.6Å; D338-R373 PolarHBondContact OD1-NE 3.36Å; D338-R373 IonicContact OD1-NH2 3.29Å; D338-R373 PolarHBondContact OD1-NH2 3.06Å; D338-R373 IonicContact OD2-CZ 3.43Å; D338-R373 IonicContact OD2-NE 3.52Å; D338-R373 IonicContact OD2-NH2 3.81Å; D338-R373 PolarHBondContact OD2-NH2 3.36Å; D338-R373 VanDerWaalsContact OD2-NH2 3.07Å; D338-Y423 HydrophobicContact CB-CE2 4.25Å; D338-Y423 PolarHBondContact OD1-OH 2.78Å; D338-Y423 VanDerWaalsContact OD1-OH 3.07Å; D338-T428 HydrophobicContact CB-CG2 3.74Å; D338-T428 WeakPolarHBondContact OD2-CB 3.16Å; D338-T428 PolarHBondContact OD2-OG1 2.69Å
339S98.9Very high98.7Very high1 Ų118.2 Ų18.21%0.0079%0.087CC..Hα-helixtrans-65-35.6176.1-58.20000112.1H335 V336 K337 L342 C343 L569H335-S339 VanDerWaalsContact O-CB 3.25Å; H335-S339 WeakPolarHBondContact O-CB 3.26Å; H335-S339 PolarHBondContact O-N 3Å; H335-S339 PolarHBondContact O-OG 3.13Å; V336-S339 PolarHBondContact O-N 2.78Å; K337-S339 VanDerWaalsContact C-N 3.34Å; S339-L342 PolarHBondContact O-N 3.09Å; S339-C343 PolarHBondContact O-N 3.28Å; S339-C343 PolarHBondContact O-SG 3.04Å; S339-L569 PolarHBondContact OG-N 2.93Å; S339-L569 VanDerWaalsContact OG-N 3.07Å
340V98.9Very high98.7Very high0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-60.2-50170.4165.70000110.7V336 K337 D338 L342 C343 M344 V601 R604 L605 L608 Y610V336-V340 WeakPolarHBondContact O-CG2 3.24Å; V336-V340 PolarHBondContact O-N 2.98Å; K337-V340 WeakPolarHBondContact O-CB 3.4Å; K337-V340 PolarHBondContact O-N 3.16Å; D338-V340 VanDerWaalsContact C-N 3.33Å; D338-V340 PolarHBondContact O-N 2.76Å; V340-L342 VanDerWaalsContact C-N 3.29Å; V340-L342 PolarHBondContact O-N 3.42Å; V340-C343 PolarHBondContact O-N 3.19Å; V340-M344 HydrophobicContact CG1-SD 4.02Å; V340-M344 WeakPolarHBondContact O-CG 3.21Å; V340-M344 PolarHBondContact O-N 3.43Å; V340-V601 HydrophobicContact CG2-CG1 3.9Å; V340-R604 HydrophobicContact CG2-CB 3.97Å; V340-R604 HydrophobicContact CG2-CG 3.6Å; V340-L605 HydrophobicContact CG1-CD2 3.82Å; V340-L605 HydrophobicContact CG2-CG 4.4Å; V340-L608 HydrophobicContact CG1-CD1 4.19Å; V340-Y610 HydrophobicContact CG1-CD2 4.41Å
341A98.9Very high98.6Very high0 Ų018.1 Ų18.10%08%0.081CC..Hα-helixtrans-59.3-40.717900000112K337 D338 M344 F345 F372 R373 Q376K337-A341 PolarHBondContact O-N 2.89Å; K337-A341 VanDerWaalsContact O-N 3.1Å; D338-A341 WeakPolarHBondContact O-CB 3.47Å; D338-A341 PolarHBondContact O-N 2.87Å; A341-M344 PolarHBondContact O-N 2.81Å; A341-F345 WeakPolarHBondContact O-CB 3.37Å; A341-F345 PolarHBondContact O-N 2.96Å; A341-F372 HydrophobicContact CB-CB 4.05Å; A341-R373 HydrophobicContact CB-CG 3.95Å; A341-Q376 HydrophobicContact CB-CG 4.02Å
342L98.9Very high98.5Very high2 Ų219.7 Ų19.71%0.019%0.089CC..Hα-helixtrans-68-40176.6-77.1157.7000112.9D338 S339 V340 M344 F345 F346 I369 L417 V430 V570D338-L342 PolarHBondContact O-N 3.44Å; S339-L342 PolarHBondContact O-N 3.09Å; V340-L342 VanDerWaalsContact C-N 3.29Å; V340-L342 PolarHBondContact O-N 3.42Å; L342-M344 VanDerWaalsContact C-N 3.33Å; L342-M344 PolarHBondContact O-N 2.88Å; L342-F345 PolarHBondContact O-N 3.45Å; L342-F346 HydrophobicContact CB-CD2 4.4Å; L342-F346 HydrophobicContact CB-CE2 4.17Å; L342-F346 HydrophobicContact CD2-CE2 3.93Å; L342-F346 HydrophobicContact CD2-CZ 4.08Å; L342-F346 WeakPolarHBondContact O-CD2 3.38Å; L342-F346 WeakPolarHBondContact O-CG 3.36Å; L342-F346 PolarHBondContact O-N 3.46Å; L342-I369 HydrophobicContact CD2-CD1 3.6Å; L342-I369 HydrophobicContact CD2-CG1 4.21Å; L342-I369 HydrophobicContact CG-CD1 3.95Å; L342-L417 HydrophobicContact CD2-CD2 3.96Å; L342-V430 HydrophobicContact CD1-CB 4.34Å; L342-V430 HydrophobicContact CD1-CG1 3.27Å; L342-V430 HydrophobicContact CD1-CG2 4.17Å; L342-V570 HydrophobicContact CB-CG1 4.32Å; L342-V570 HydrophobicContact CB-CG2 3.89Å; L342-V570 HydrophobicContact CD1-CG2 3.77Å; L342-V570 HydrophobicContact CG-CG2 4.47Å
343C98.9Very high98.4Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-63.8-41174.9-67.90000111.4S339 V340 F345 H347 L605 W616S339-C343 PolarHBondContact O-N 3.28Å; S339-C343 PolarHBondContact O-SG 3.04Å; V340-C343 PolarHBondContact O-N 3.19Å; C343-F345 VanDerWaalsContact C-N 3.34Å; C343-H347 WeakPolarHBondContact O-CB 3.43Å; C343-H347 PolarHBondContact O-N 2.69Å; C343-L605 HydrophobicContact CB-CD1 4.14Å; C343-W616 HydrophobicContact CB-CE3 4.26Å; C343-W616 HydrophobicContact CB-CZ3 3.86Å
344M98.8Very high98.2Very high14 Ų1416.1 Ų16.17%0.0698%0.075CC..Hα-helixtrans-62.3-42.6173.7-66.8173.373.700111.7V340 A341 L342 W348 F372 M375 L605 Y610 A613V340-M344 HydrophobicContact CG1-SD 4.02Å; V340-M344 WeakPolarHBondContact O-CG 3.21Å; V340-M344 PolarHBondContact O-N 3.43Å; A341-M344 PolarHBondContact O-N 2.81Å; L342-M344 VanDerWaalsContact C-N 3.33Å; L342-M344 PolarHBondContact O-N 2.88Å; M344-W348 WeakPolarHBondContact O-CB 3.23Å; M344-W348 PolarHBondContact O-N 3.18Å; M344-F372 HydrophobicContact CB-CD1 3.89Å; M344-F372 HydrophobicContact CB-CD2 4.38Å; M344-F372 HydrophobicContact CB-CE1 4.04Å; M344-F372 HydrophobicContact CB-CE2 4.49Å; M344-F372 HydrophobicContact CB-CG 4.07Å; M344-F372 HydrophobicContact CB-CZ 4.32Å; M344-F372 HydrophobicContact CE-CD1 3.63Å; M344-F372 HydrophobicContact CE-CE1 3.72Å; M344-F372 HydrophobicContact SD-CD1 4.27Å; M344-M375 HydrophobicContact CE-CE 4.08Å; M344-L605 HydrophobicContact CG-CD2 4.19Å; M344-Y610 HydrophobicContact CE-CD1 3.71Å; M344-Y610 HydrophobicContact CE-CD2 4.03Å; M344-Y610 HydrophobicContact CE-CE1 3.55Å; M344-Y610 HydrophobicContact CE-CE2 3.86Å; M344-Y610 HydrophobicContact CE-CG 3.97Å; M344-Y610 HydrophobicContact SD-CD1 4.4Å; M344-Y610 HydrophobicContact SD-CD2 3.65Å; M344-Y610 HydrophobicContact SD-CE1 4.42Å; M344-Y610 HydrophobicContact SD-CE2 3.65Å; M344-Y610 HydrophobicContact SD-CG 4.05Å; M344-A613 HydrophobicContact CG-CB 4.04Å
345F98.8Very high98Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-63.3-49.5177.2172.5-98.6000112.5A341 L342 C343 W348 L349 A365 K368 I369 F372 F415 L417A341-F345 WeakPolarHBondContact O-CB 3.37Å; A341-F345 PolarHBondContact O-N 2.96Å; L342-F345 PolarHBondContact O-N 3.45Å; C343-F345 VanDerWaalsContact C-N 3.34Å; F345-W348 HydrophobicContact CD2-CE3 4.06Å; F345-W348 HydrophobicContact CD2-CZ3 4.29Å; F345-W348 AromaticContact CE2-CE3 3.99Å; F345-W348 HydrophobicContact CE2-CE3 3.99Å; F345-W348 AromaticContact CE2-CZ3 3.79Å; F345-W348 HydrophobicContact CE2-CZ3 3.79Å; F345-W348 WeakPolarHBondContact O-CB 3.3Å; F345-W348 PolarHBondContact O-N 3Å; F345-L349 HydrophobicContact CE1-CB 4.41Å; F345-L349 HydrophobicContact CE1-CD2 3.78Å; F345-L349 HydrophobicContact CZ-CB 4.39Å; F345-L349 HydrophobicContact CZ-CD2 3.81Å; F345-L349 WeakPolarHBondContact O-CB 3.18Å; F345-L349 PolarHBondContact O-N 2.82Å; F345-A365 HydrophobicContact CE2-CB 4.36Å; F345-A365 VanDerWaalsContact CE2-O 3.3Å; F345-A365 WeakPolarHBondContact CE2-O 3.47Å; F345-A365 HydrophobicContact CZ-CB 4.16Å; F345-K368 HydrophobicContact CD2-CB 4.27Å; F345-K368 HydrophobicContact CD2-CG 4.3Å; F345-K368 HydrophobicContact CE2-CB 4.18Å; F345-I369 HydrophobicContact CB-CB 4.49Å; F345-I369 HydrophobicContact CB-CD1 3.61Å; F345-I369 HydrophobicContact CD1-CD1 4.4Å; F345-I369 HydrophobicContact CD2-CB 3.73Å; F345-I369 HydrophobicContact CD2-CD1 4.46Å; F345-I369 HydrophobicContact CE2-CB 4.06Å; F345-I369 HydrophobicContact CG-CB 3.97Å; F345-I369 HydrophobicContact CG-CD1 3.9Å; F345-I369 HydrophobicContact CG-CG1 4.42Å; F345-F372 HydrophobicContact CB-CD2 3.81Å; F345-F372 HydrophobicContact CB-CE2 4.26Å; F345-F372 HydrophobicContact CD2-CD2 4.4Å; F345-F415 HydrophobicContact CE1-CE1 4.36Å; F345-F415 HydrophobicContact CZ-CE1 4.42Å; F345-L417 HydrophobicContact CD1-CD2 3.87Å; F345-L417 HydrophobicContact CE1-CD1 4.4Å; F345-L417 HydrophobicContact CE1-CD2 3.55Å; F345-L417 HydrophobicContact CE1-CG 4.46Å; F345-L417 HydrophobicContact CZ-CD1 4.36Å; F345-L417 HydrophobicContact CZ-CD2 4.25Å
346F98.7Very high97.8Very high3 Ų326.8 Ų26.81%0.01313%0.13CC..Hα-helixtrans-69.1-36.6-177.2-69.3-45.9000112.5L342 L349 E350 L417 R432 M434 V570 W616L342-F346 HydrophobicContact CB-CD2 4.4Å; L342-F346 HydrophobicContact CB-CE2 4.17Å; L342-F346 HydrophobicContact CD2-CE2 3.93Å; L342-F346 HydrophobicContact CD2-CZ 4.08Å; L342-F346 WeakPolarHBondContact O-CD2 3.38Å; L342-F346 WeakPolarHBondContact O-CG 3.36Å; L342-F346 PolarHBondContact O-N 3.46Å; F346-L349 PolarHBondContact O-N 2.85Å; F346-E350 WeakPolarHBondContact O-CB 3.47Å; F346-E350 PolarHBondContact O-N 2.96Å; F346-L417 HydrophobicContact CE1-CB 4.41Å; F346-L417 HydrophobicContact CE1-CD2 3.95Å; F346-L417 HydrophobicContact CZ-CD2 3.87Å; F346-R432 HydrophobicContact CE1-CB 4.48Å; F346-R432 HydrophobicContact CE2-CB 4.11Å; F346-R432 HydrophobicContact CE2-CG 3.91Å; F346-R432 HydrophobicContact CZ-CB 3.68Å; F346-R432 HydrophobicContact CZ-CG 4Å; F346-M434 HydrophobicContact CB-CE 4.13Å; F346-M434 HydrophobicContact CD1-CE 3.75Å; F346-M434 HydrophobicContact CD1-SD 3.16Å; F346-M434 WeakPolarHBondContact CD1-SD 3.42Å; F346-M434 HydrophobicContact CE1-CE 4.36Å; F346-M434 HydrophobicContact CE1-CG 4.4Å; F346-M434 HydrophobicContact CE1-SD 3.36Å; F346-M434 WeakPolarHBondContact CE1-SD 3.38Å; F346-M434 HydrophobicContact CG-CE 3.98Å; F346-M434 HydrophobicContact CG-SD 4Å; F346-M434 HydrophobicContact CZ-SD 4.32Å; F346-V570 HydrophobicContact CD2-CG1 4.01Å; F346-V570 HydrophobicContact CE2-CG1 3.7Å; F346-W616 HydrophobicContact CB-CH2 3.44Å; F346-W616 VanDerWaalsContact CB-CH2 3.44Å; F346-W616 HydrophobicContact CB-CZ2 3.38Å; F346-W616 HydrophobicContact CB-CZ3 4.29Å; F346-W616 HydrophobicContact CD2-CH2 4.25Å; F346-W616 HydrophobicContact CG-CH2 4.29Å; F346-W616 HydrophobicContact CG-CZ2 4.46Å
347H98.4Very high97.4Very high36 Ų3634.7 Ų34.717%0.16716%0.158CC..Hα-helixtrans-56.5-52167.2169.456.6000111.6C343 L349 E350 K351 E612 A613 W616C343-H347 WeakPolarHBondContact O-CB 3.43Å; C343-H347 PolarHBondContact O-N 2.69Å; H347-L349 VanDerWaalsContact C-N 3.33Å; H347-L349 PolarHBondContact O-N 2.93Å; H347-E350 PolarHBondContact O-N 2.98Å; H347-K351 WeakPolarHBondContact O-CB 3.33Å; H347-K351 PolarHBondContact O-N 2.83Å; H347-K351 VanDerWaalsContact O-N 3.08Å; H347-E612 IonicContact CE1-OE2 3.66Å; H347-E612 WeakPolarHBondContact NE2-CB 3.49Å; H347-E612 IonicContact NE2-OE2 3.85Å; H347-E612 PolarHBondContact NE2-OE2 3.22Å; H347-A613 HydrophobicContact CB-CB 4.41Å; H347-W616 HydrophobicContact CB-CB 3.94Å; H347-W616 HydrophobicContact CB-CD2 3.95Å; H347-W616 HydrophobicContact CB-CE3 4.4Å; H347-W616 HydrophobicContact CB-CG 3.71Å; H347-W616 AromaticContact ND1-CG 3.99Å
348W98.5Very high96.8Very high52 Ų5236 Ų3620%0.19717%0.169CC..Hα-helixtrans-58.2-46.3178.5166.685.6000111.6M344 F345 K351 Q352 V360 K368 F372M344-W348 WeakPolarHBondContact O-CB 3.23Å; M344-W348 PolarHBondContact O-N 3.18Å; F345-W348 HydrophobicContact CD2-CE3 4.06Å; F345-W348 HydrophobicContact CD2-CZ3 4.29Å; F345-W348 AromaticContact CE2-CE3 3.99Å; F345-W348 HydrophobicContact CE2-CE3 3.99Å; F345-W348 AromaticContact CE2-CZ3 3.79Å; F345-W348 HydrophobicContact CE2-CZ3 3.79Å; F345-W348 WeakPolarHBondContact O-CB 3.3Å; F345-W348 PolarHBondContact O-N 3Å; W348-K351 PolarHBondContact O-N 2.87Å; W348-Q352 HydrophobicContact CD2-CG 3.94Å; W348-Q352 VanDerWaalsContact CE2-CG 3.42Å; W348-Q352 HydrophobicContact CE3-CG 4.49Å; W348-Q352 HydrophobicContact CG-CG 4.41Å; W348-Q352 HydrophobicContact CH2-CG 4.19Å; W348-Q352 HydrophobicContact CZ2-CG 3.58Å; W348-Q352 WeakPolarHBondContact O-CG 3.23Å; W348-Q352 PolarHBondContact O-N 2.94Å; W348-V360 HydrophobicContact CH2-CG1 3.95Å; W348-V360 HydrophobicContact CH2-CG2 4.18Å; W348-V360 HydrophobicContact CZ3-CG1 4.41Å; W348-K368 HydrophobicContact CD2-CD 4.39Å; W348-K368 HydrophobicContact CD2-CG 3.75Å; W348-K368 HydrophobicContact CE3-CB 4.33Å; W348-K368 HydrophobicContact CE3-CG 3.67Å; W348-K368 HydrophobicContact CG-CG 4.49Å; W348-K368 HydrophobicContact CH2-CB 3.92Å; W348-K368 HydrophobicContact CH2-CG 3.8Å; W348-K368 HydrophobicContact CZ2-CB 4.38Å; W348-K368 HydrophobicContact CZ2-CD 4.16Å; W348-K368 HydrophobicContact CZ2-CG 3.86Å; W348-K368 HydrophobicContact CZ3-CB 3.89Å; W348-K368 HydrophobicContact CZ3-CG 3.7Å; W348-F372 HydrophobicContact CB-CE2 4.01Å; W348-F372 HydrophobicContact CB-CZ 4.12Å; W348-F372 HydrophobicContact CG-CE2 4.3Å; W348-F372 HydrophobicContact CG-CZ 4.44Å
349L98.2Very high96.5Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-65.2-46.1-176.2-177.861.3000110.8F345 F346 H347 K351 Q352 M353 V360 L409 F415 F436F345-L349 HydrophobicContact CE1-CB 4.41Å; F345-L349 HydrophobicContact CE1-CD2 3.78Å; F345-L349 HydrophobicContact CZ-CB 4.39Å; F345-L349 HydrophobicContact CZ-CD2 3.81Å; F345-L349 WeakPolarHBondContact O-CB 3.18Å; F345-L349 PolarHBondContact O-N 2.82Å; F346-L349 PolarHBondContact O-N 2.85Å; H347-L349 VanDerWaalsContact C-N 3.33Å; H347-L349 PolarHBondContact O-N 2.93Å; L349-K351 VanDerWaalsContact C-N 3.31Å; L349-K351 PolarHBondContact O-N 2.86Å; L349-Q352 PolarHBondContact O-N 2.82Å; L349-Q352 VanDerWaalsContact O-N 3.13Å; L349-M353 HydrophobicContact CD1-CG 4.05Å; L349-M353 HydrophobicContact CD1-SD 4.49Å; L349-M353 HydrophobicContact CG-CG 4.33Å; L349-M353 VanDerWaalsContact O-CG 3.26Å; L349-M353 WeakPolarHBondContact O-CG 3.32Å; L349-M353 PolarHBondContact O-N 2.91Å; L349-V360 HydrophobicContact CD1-CG1 4.03Å; L349-L409 HydrophobicContact CD1-CD2 3.75Å; L349-L409 HydrophobicContact CD2-CD2 4.45Å; L349-F415 HydrophobicContact CD2-CD1 3.68Å; L349-F415 HydrophobicContact CD2-CE1 3.41Å; L349-F415 VanDerWaalsContact CD2-CE1 3.41Å; L349-F415 HydrophobicContact CD2-CZ 4.24Å; L349-F436 HydrophobicContact CD2-CE1 4.43Å; L349-F436 HydrophobicContact CD2-CZ 3.64Å; L349-F436 HydrophobicContact CG-CE1 4.13Å; L349-F436 HydrophobicContact CG-CZ 3.67Å
350E97Very high96.4Very high34 Ų3440 Ų4016%0.15920%0.196CC..Hα-helixtrans-59.1-43.6177.1-175.2160.9-16800111.8F346 H347 Q352 M353 L354 F436 W616F346-E350 WeakPolarHBondContact O-CB 3.47Å; F346-E350 PolarHBondContact O-N 2.96Å; H347-E350 PolarHBondContact O-N 2.98Å; E350-Q352 PolarHBondContact O-N 3.17Å; E350-M353 PolarHBondContact O-N 2.77Å; E350-L354 HydrophobicContact CG-CD1 3.7Å; E350-L354 HydrophobicContact CG-CG 4.37Å; E350-L354 WeakPolarHBondContact O-CB 3.3Å; E350-L354 PolarHBondContact O-N 2.85Å; E350-F436 HydrophobicContact CB-CE1 4.35Å; E350-W616 PolarHBondContact OE2-NE1 2.95Å
351K97.1Very high96.4Very high68 Ų6841.4 Ų41.430%0.29621%0.205SC..Hα-helixtrans-60.9-43.1173.6-173.8173.5-171.9172.70112.5H347 W348 L349 M353 E355 V356H347-K351 WeakPolarHBondContact O-CB 3.33Å; H347-K351 PolarHBondContact O-N 2.83Å; H347-K351 VanDerWaalsContact O-N 3.08Å; W348-K351 PolarHBondContact O-N 2.87Å; L349-K351 VanDerWaalsContact C-N 3.31Å; L349-K351 PolarHBondContact O-N 2.86Å; K351-M353 VanDerWaalsContact C-N 3.34Å; K351-M353 PolarHBondContact O-N 3.35Å; K351-E355 HydrophobicContact CG-CB 4.3Å; K351-E355 WeakPolarHBondContact O-CB 3.18Å; K351-E355 PolarHBondContact O-N 3.42Å; K351-V356 HydrophobicContact CG-CG2 4.2Å; K351-V356 PolarHBondContact O-N 2.81Å
352Q97.3Very high96.4Very high33 Ų3341.4 Ų41.415%0.15421%0.205CC..Iπ-helixtrans-62.1-42.3176.6-70.1-44.6-58.900112.1W348 L349 E350 R357 S358 V360W348-Q352 HydrophobicContact CD2-CG 3.94Å; W348-Q352 VanDerWaalsContact CE2-CG 3.42Å; W348-Q352 HydrophobicContact CE3-CG 4.49Å; W348-Q352 HydrophobicContact CG-CG 4.41Å; W348-Q352 HydrophobicContact CH2-CG 4.19Å; W348-Q352 HydrophobicContact CZ2-CG 3.58Å; W348-Q352 WeakPolarHBondContact O-CG 3.23Å; W348-Q352 PolarHBondContact O-N 2.94Å; L349-Q352 PolarHBondContact O-N 2.82Å; L349-Q352 VanDerWaalsContact O-N 3.13Å; E350-Q352 PolarHBondContact O-N 3.17Å; Q352-R357 VanDerWaalsContact O-CA 3.25Å; Q352-R357 WeakPolarHBondContact O-CA 3.4Å; Q352-R357 PolarHBondContact O-N 3.3Å; Q352-S358 WeakPolarHBondContact CB-OG 3.25Å; Q352-S358 PolarHBondContact O-N 2.84Å; Q352-S358 VanDerWaalsContact O-N 3.16Å; Q352-S358 VanDerWaalsContact OE1-CB 3.31Å; Q352-S358 PolarHBondContact OE1-OG 2.85Å; Q352-V360 HydrophobicContact CB-CG2 3.6Å; Q352-V360 HydrophobicContact CG-CG2 3.97Å
353M96.1Very high96.3Very high14 Ų1443.2 Ų43.27%0.06921%0.214CC..Iπ-helixtrans-77.2-38.4-174.5-65.8-53.6-62.400113L349 E350 K351 V360 L409 A411 F436L349-M353 HydrophobicContact CD1-CG 4.05Å; L349-M353 HydrophobicContact CD1-SD 4.49Å; L349-M353 HydrophobicContact CG-CG 4.33Å; L349-M353 VanDerWaalsContact O-CG 3.26Å; L349-M353 WeakPolarHBondContact O-CG 3.32Å; L349-M353 PolarHBondContact O-N 2.91Å; E350-M353 PolarHBondContact O-N 2.77Å; K351-M353 VanDerWaalsContact C-N 3.34Å; K351-M353 PolarHBondContact O-N 3.35Å; M353-V360 HydrophobicContact SD-CB 4.32Å; M353-V360 HydrophobicContact SD-CG2 4.4Å; M353-L409 HydrophobicContact CE-CB 3.93Å; M353-L409 HydrophobicContact SD-CB 3.94Å; M353-L409 HydrophobicContact SD-CD2 4.38Å; M353-A411 HydrophobicContact CE-CB 3.93Å; M353-A411 VanDerWaalsContact CE-N 3.34Å; M353-F436 HydrophobicContact CB-CB 4.21Å; M353-F436 HydrophobicContact CB-CD1 3.84Å; M353-F436 HydrophobicContact CB-CD2 4.09Å; M353-F436 HydrophobicContact CB-CE1 4.26Å; M353-F436 HydrophobicContact CB-CE2 4.48Å; M353-F436 HydrophobicContact CB-CG 3.75Å; M353-F436 HydrophobicContact CE-CD2 4.29Å; M353-F436 HydrophobicContact CG-CD1 4.11Å; M353-F436 HydrophobicContact CG-CD2 3.87Å; M353-F436 HydrophobicContact CG-CE1 4.07Å; M353-F436 HydrophobicContact CG-CE2 3.82Å; M353-F436 HydrophobicContact CG-CG 4.02Å; M353-F436 HydrophobicContact CG-CZ 3.94Å
354L95Very high96.3Very high56 Ų5644.8 Ų44.829%0.29323%0.225SC..Iπ-helixtrans-99.5-44.3-172.1-63.6-179000113.6E350 F436 E437E350-L354 HydrophobicContact CG-CD1 3.7Å; E350-L354 HydrophobicContact CG-CG 4.37Å; E350-L354 WeakPolarHBondContact O-CB 3.3Å; E350-L354 PolarHBondContact O-N 2.85Å; L354-F436 HydrophobicContact CD2-CB 3.87Å; L354-F436 HydrophobicContact CG-CB 4.34Å; L354-E437 HydrophobicContact CD2-CG 4.05Å
355E94.5Very high96.3Very high144 Ų14444.1 Ų44.167%0.67322%0.222SC*.Iπ-helixtrans-95-55.4-172.4-61.5177.9-160.500112K351K351-E355 HydrophobicContact CG-CB 4.3Å; K351-E355 WeakPolarHBondContact O-CB 3.18Å; K351-E355 PolarHBondContact O-N 3.42Å
356V94.1Very high96.2Very high81 Ų8144.9 Ų44.949%0.49123%0.227SC..Iπ-helixtrans-76.4-32.7-175.7-175.50000111K351 S358K351-V356 HydrophobicContact CG-CG2 4.2Å; K351-V356 PolarHBondContact O-N 2.81Å; V356-S358 VanDerWaalsContact C-N 3.28Å; V356-S358 PolarHBondContact O-N 2.91Å
357R90.6Very high96.2Very high177 Ų17750.9 Ų50.967%0.66826%0.255SS*.  trans52.945.4-173-59.3-168.3170.3-132.7-14.4112.2Q352 E437Q352-R357 VanDerWaalsContact O-CA 3.25Å; Q352-R357 WeakPolarHBondContact O-CA 3.4Å; Q352-R357 PolarHBondContact O-N 3.3Å; R357-E437 IonicContact CZ-OE1 3.96Å; R357-E437 IonicContact NH1-OE1 3.96Å; R357-E437 IonicContact NH2-OE1 3.07Å; R357-E437 PolarHBondContact NH2-OE1 3.13Å
358S86.7Confident96.2Very high38 Ų3851.1 Ų51.127%0.26626%0.256SS..  trans-79.4163.6179.665.80000112.1Q352 V356 V360Q352-S358 WeakPolarHBondContact CB-OG 3.25Å; Q352-S358 PolarHBondContact O-N 2.84Å; Q352-S358 VanDerWaalsContact O-N 3.16Å; Q352-S358 VanDerWaalsContact OE1-CB 3.31Å; Q352-S358 PolarHBondContact OE1-OG 2.85Å; V356-S358 VanDerWaalsContact C-N 3.28Å; V356-S358 PolarHBondContact O-N 2.91Å; S358-V360 VanDerWaalsContact C-N 3.34Å; S358-V360 PolarHBondContact O-N 2.89Å; S358-V360 VanDerWaalsContact O-N 3.07Å; S358-V360 WeakPolarHBondContact OG-CG2 3.42Å
359C92.3Very high96.2Very high85 Ų8548.6 Ų48.657%0.57425%0.246SC*.  trans-80.882.3173-172.50000109.6Q408C359-Q408 PolarHBondContact SG-OE1 3.39Å
360V97.8Very high96.2Very high4 Ų451.5 Ų51.52%0.02426%0.26CS..  trans-83.8130.3168.7-173.50000108.5W348 L349 Q352 M353 S358 A365 Q408 L409W348-V360 HydrophobicContact CH2-CG1 3.95Å; W348-V360 HydrophobicContact CH2-CG2 4.18Å; W348-V360 HydrophobicContact CZ3-CG1 4.41Å; L349-V360 HydrophobicContact CD1-CG1 4.03Å; Q352-V360 HydrophobicContact CB-CG2 3.6Å; Q352-V360 HydrophobicContact CG-CG2 3.97Å; M353-V360 HydrophobicContact SD-CB 4.32Å; M353-V360 HydrophobicContact SD-CG2 4.4Å; S358-V360 VanDerWaalsContact C-N 3.34Å; S358-V360 PolarHBondContact O-N 2.89Å; S358-V360 VanDerWaalsContact O-N 3.07Å; S358-V360 WeakPolarHBondContact OG-CG2 3.42Å; V360-A365 HydrophobicContact CG1-CB 4.16Å; V360-Q408 CarbonylContact O-C 3.53Å; V360-Q408 WeakPolarHBondContact O-CA 3.39Å; V360-Q408 WeakPolarHBondContact O-CG 3.46Å; V360-L409 HydrophobicContact CB-CD2 4.48Å; V360-L409 HydrophobicContact CG1-CD1 4.38Å; V360-L409 HydrophobicContact CG1-CD2 4Å; V360-L409 PolarHBondContact O-N 3.22Å
361T98.2Very high96.3Very high28 Ų2854.2 Ų54.217%0.17227%0.273CS..BIsolated β-bridgetrans-110.7161.6173.867.30000111.2L363 S364 A365 N406 A407T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.47Å; T361-S364 WeakPolarHBondContact CA-OG 3.43Å; T361-S364 PolarHBondContact N-OG 2.66Å; T361-S364 PolarHBondContact O-N 3.47Å; T361-S364 VanDerWaalsContact O-N 3.14Å; T361-S364 PolarHBondContact O-OG 3.46Å; T361-S364 PolarHBondContact OG1-N 3.18Å; T361-S364 PolarHBondContact OG1-OG 3.31Å; T361-S364 VanDerWaalsContact OG1-OG 3.08Å; T361-A365 WeakPolarHBondContact O-CB 3.43Å; T361-A365 PolarHBondContact O-N 2.83Å; T361-N406 WeakPolarHBondContact CB-ND2 3.32Å; T361-N406 VanDerWaalsContact CB-OD1 3.28Å; T361-N406 WeakPolarHBondContact CB-OD1 3.09Å; T361-N406 PolarHBondContact OG1-ND2 2.68Å; T361-N406 PolarHBondContact OG1-OD1 3.12Å; T361-A407 CarbonylContact C-O 3.59Å; T361-A407 WeakPolarHBondContact CA-O 3.3Å; T361-A407 WeakPolarHBondContact CB-O 3.12Å
362E98.1Very high96.4Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-53.9-46.4177.6-69.8173155.100111.9A365 S366 S388 A389 S390 N393 Y399 P401 N406 A407 L409E362-A365 PolarHBondContact O-N 3.05Å; E362-S366 PolarHBondContact O-N 2.89Å; E362-S366 PolarHBondContact O-OG 3.3Å; E362-S388 WeakPolarHBondContact CB-O 3.38Å; E362-S388 WeakPolarHBondContact CG-O 3.49Å; E362-S388 VanDerWaalsContact O-CB 3.28Å; E362-S388 WeakPolarHBondContact O-CB 3.49Å; E362-S388 PolarHBondContact O-OG 3.3Å; E362-S388 VanDerWaalsContact O-OG 3.11Å; E362-A389 WeakPolarHBondContact OE1-CA 3.35Å; E362-S390 PolarHBondContact OE1-N 3.49Å; E362-N393 WeakPolarHBondContact OE1-CB 3.36Å; E362-N393 PolarHBondContact OE1-ND2 3.08Å; E362-N393 PolarHBondContact OE2-ND2 3.44Å; E362-Y399 VanDerWaalsContact OE2-CE1 3.3Å; E362-Y399 WeakPolarHBondContact OE2-CE1 3.27Å; E362-Y399 PolarHBondContact OE2-OH 3.26Å; E362-P401 HydrophobicContact CB-CB 3.75Å; E362-P401 HydrophobicContact CB-CG 4.18Å; E362-N406 PolarHBondContact N-OD1 2.95Å; E362-A407 HydrophobicContact CG-CB 4.31Å; E362-A407 PolarHBondContact N-O 2.93Å; E362-A407 PolarHBondContact OE2-N 3.19Å; E362-A407 VanDerWaalsContact OE2-N 3.16Å; E362-L409 HydrophobicContact CG-CD1 4.05Å
363L97.8Very high96.5Very high40 Ų4050.5 Ų50.521%0.20926%0.256CS..Hα-helixtrans-62-47175.1-75.1178.9000112T361 A365 S366 E367 P401 K403 N406T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.47Å; L363-A365 PolarHBondContact O-N 3.37Å; L363-S366 WeakPolarHBondContact O-CB 3.31Å; L363-S366 PolarHBondContact O-N 3.07Å; L363-S366 VanDerWaalsContact O-N 3.16Å; L363-E367 WeakPolarHBondContact O-CG 3.4Å; L363-E367 PolarHBondContact O-N 3.48Å; L363-P401 HydrophobicContact CD2-CB 4Å; L363-P401 HydrophobicContact CD2-CG 4.09Å; L363-P401 WeakPolarHBondContact CD2-O 3.39Å; L363-P401 HydrophobicContact CG-CB 4.19Å; L363-K403 HydrophobicContact CD1-CG 4.38Å; L363-N406 WeakPolarHBondContact CB-OD1 3.11Å; L363-N406 HydrophobicContact CD1-CB 3.78Å; L363-N406 HydrophobicContact CG-CB 4Å; L363-N406 WeakPolarHBondContact CG-OD1 3.26Å; L363-N406 PolarHBondContact N-OD1 3.17Å
364S98Very high96.6Very high33 Ų3356.9 Ų56.923%0.23128%0.279CS..Hα-helixtrans-66-29.6-179.663.30000112.6T361 K368T361-S364 WeakPolarHBondContact CA-OG 3.43Å; T361-S364 PolarHBondContact N-OG 2.66Å; T361-S364 PolarHBondContact O-N 3.47Å; T361-S364 VanDerWaalsContact O-N 3.14Å; T361-S364 PolarHBondContact O-OG 3.46Å; T361-S364 PolarHBondContact OG1-N 3.18Å; T361-S364 PolarHBondContact OG1-OG 3.31Å; T361-S364 VanDerWaalsContact OG1-OG 3.08Å; S364-K368 VanDerWaalsContact O-CB 3.27Å; S364-K368 WeakPolarHBondContact O-CB 2.99Å; S364-K368 PolarHBondContact O-N 3.03Å
365A98.3Very high96.7Very high0 Ų058.5 Ų58.50%029%0.286CS..Hα-helixtrans-69.6-44.317300000110.8F345 V360 T361 E362 L363 K368 I369 S388 F415F345-A365 HydrophobicContact CE2-CB 4.36Å; F345-A365 VanDerWaalsContact CE2-O 3.3Å; F345-A365 WeakPolarHBondContact CE2-O 3.47Å; F345-A365 HydrophobicContact CZ-CB 4.16Å; V360-A365 HydrophobicContact CG1-CB 4.16Å; T361-A365 WeakPolarHBondContact O-CB 3.43Å; T361-A365 PolarHBondContact O-N 2.83Å; E362-A365 PolarHBondContact O-N 3.05Å; L363-A365 PolarHBondContact O-N 3.37Å; A365-K368 PolarHBondContact O-N 3.44Å; A365-I369 PolarHBondContact O-N 2.76Å; A365-S388 WeakPolarHBondContact CB-OG 3Å; A365-F415 HydrophobicContact CB-CZ 4.17Å
366S98Very high96.9Very high16 Ų1652 Ų5211%0.11226%0.256CS..Hα-helixtrans-57.9-46.2172.7-66.10000112.6E362 L363 K368 I369 E370 T386 S388E362-S366 PolarHBondContact O-N 2.89Å; E362-S366 PolarHBondContact O-OG 3.3Å; L363-S366 WeakPolarHBondContact O-CB 3.31Å; L363-S366 PolarHBondContact O-N 3.07Å; L363-S366 VanDerWaalsContact O-N 3.16Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 2.69Å; S366-I369 WeakPolarHBondContact O-CG2 3.37Å; S366-E370 PolarHBondContact O-N 2.86Å; S366-T386 WeakPolarHBondContact OG-CG2 3.32Å; S366-S388 WeakPolarHBondContact OG-CB 3.42Å
367E98.2Very high97.1Very high130 Ų13052.1 Ų52.161%0.60726%0.258SS*.Hα-helixtrans-61.2-39.4176.1-71.2169.117300111.2L363 E370 E371L363-E367 WeakPolarHBondContact O-CG 3.4Å; L363-E367 PolarHBondContact O-N 3.48Å; E367-E370 PolarHBondContact O-N 3.2Å; E367-E371 PolarHBondContact O-N 3.14Å
368K98.6Very high97.5Very high40 Ų4046.9 Ų46.917%0.17424%0.243CC..Hα-helixtrans-72.2-40.1-176.8-16669.7-175.5170.30113.5F345 W348 S364 A365 S366 E370 E371 F372F345-K368 HydrophobicContact CD2-CB 4.27Å; F345-K368 HydrophobicContact CD2-CG 4.3Å; F345-K368 HydrophobicContact CE2-CB 4.18Å; W348-K368 HydrophobicContact CD2-CD 4.39Å; W348-K368 HydrophobicContact CD2-CG 3.75Å; W348-K368 HydrophobicContact CE3-CB 4.33Å; W348-K368 HydrophobicContact CE3-CG 3.67Å; W348-K368 HydrophobicContact CG-CG 4.49Å; W348-K368 HydrophobicContact CH2-CB 3.92Å; W348-K368 HydrophobicContact CH2-CG 3.8Å; W348-K368 HydrophobicContact CZ2-CB 4.38Å; W348-K368 HydrophobicContact CZ2-CD 4.16Å; W348-K368 HydrophobicContact CZ2-CG 3.86Å; W348-K368 HydrophobicContact CZ3-CB 3.89Å; W348-K368 HydrophobicContact CZ3-CG 3.7Å; S364-K368 VanDerWaalsContact O-CB 3.27Å; S364-K368 WeakPolarHBondContact O-CB 2.99Å; S364-K368 PolarHBondContact O-N 3.03Å; A365-K368 PolarHBondContact O-N 3.44Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 2.69Å; K368-E370 VanDerWaalsContact C-N 3.29Å; K368-E370 PolarHBondContact O-N 3.26Å; K368-E371 WeakPolarHBondContact CD-OE2 3.31Å; K368-E371 IonicContact NZ-OE1 3.54Å; K368-E371 PolarHBondContact NZ-OE1 3.48Å; K368-E371 IonicContact NZ-OE2 2.78Å; K368-E371 PolarHBondContact NZ-OE2 3.18Å; K368-E371 WeakPolarHBondContact O-CB 3.34Å; K368-E371 PolarHBondContact O-N 2.94Å; K368-F372 HydrophobicContact CD-CE2 4.27Å; K368-F372 HydrophobicContact CG-CD2 4.23Å; K368-F372 HydrophobicContact CG-CE2 3.82Å; K368-F372 VanDerWaalsContact O-CD2 3.26Å; K368-F372 WeakPolarHBondContact O-CD2 3.46Å; K368-F372 PolarHBondContact O-N 3.47Å; K368-F372 VanDerWaalsContact O-N 3.16Å
369I98.8Very high98Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-64.6-37.9173.4-179.359.3000110.8L342 F345 A365 S366 E371 F372 R373 T386 L417L342-I369 HydrophobicContact CD2-CD1 3.6Å; L342-I369 HydrophobicContact CD2-CG1 4.21Å; L342-I369 HydrophobicContact CG-CD1 3.95Å; F345-I369 HydrophobicContact CB-CB 4.49Å; F345-I369 HydrophobicContact CB-CD1 3.61Å; F345-I369 HydrophobicContact CD1-CD1 4.4Å; F345-I369 HydrophobicContact CD2-CB 3.73Å; F345-I369 HydrophobicContact CD2-CD1 4.46Å; F345-I369 HydrophobicContact CE2-CB 4.06Å; F345-I369 HydrophobicContact CG-CB 3.97Å; F345-I369 HydrophobicContact CG-CD1 3.9Å; F345-I369 HydrophobicContact CG-CG1 4.42Å; A365-I369 PolarHBondContact O-N 2.76Å; S366-I369 WeakPolarHBondContact O-CG2 3.37Å; I369-E371 PolarHBondContact O-N 2.98Å; I369-F372 PolarHBondContact O-N 3.43Å; I369-R373 WeakPolarHBondContact O-CG 3.49Å; I369-R373 PolarHBondContact O-N 3.28Å; I369-T386 HydrophobicContact CG2-CG2 4.2Å; I369-L417 HydrophobicContact CG1-CD2 4.4Å; I369-L417 HydrophobicContact CG2-CD1 4.36Å
370E98.6Very high98.3Very high60 Ų6045.3 Ų45.328%0.2822%0.224SC..Hα-helixtrans-64.4-39.4175.1-167.4-175140.500111.9S366 E367 K368 F372 R373 R374 F379S366-E370 PolarHBondContact O-N 2.86Å; E367-E370 PolarHBondContact O-N 3.2Å; K368-E370 VanDerWaalsContact C-N 3.29Å; K368-E370 PolarHBondContact O-N 3.26Å; E370-F372 PolarHBondContact O-N 3.03Å; E370-R373 PolarHBondContact O-N 2.87Å; E370-R374 VanDerWaalsContact O-CB 3.31Å; E370-R374 WeakPolarHBondContact O-CB 3.47Å; E370-R374 PolarHBondContact O-N 3.25Å; E370-R374 IonicContact OE1-CZ 3.92Å; E370-R374 IonicContact OE1-NH2 3.78Å; E370-R374 PolarHBondContact OE1-NH2 3.49Å; E370-F379 HydrophobicContact CG-CE1 4.49Å; E370-F379 HydrophobicContact CG-CZ 4.29Å
371E98.7Very high98.3Very high92 Ų9245.7 Ų45.743%0.4323%0.229SC..Hα-helixtrans-55.1-49.7173-173.7-167.9136.800111.1E367 K368 I369 R373 R374 M375E367-E371 PolarHBondContact O-N 3.14Å; K368-E371 WeakPolarHBondContact CD-OE2 3.31Å; K368-E371 IonicContact NZ-OE1 3.54Å; K368-E371 PolarHBondContact NZ-OE1 3.48Å; K368-E371 IonicContact NZ-OE2 2.78Å; K368-E371 PolarHBondContact NZ-OE2 3.18Å; K368-E371 WeakPolarHBondContact O-CB 3.34Å; K368-E371 PolarHBondContact O-N 2.94Å; I369-E371 PolarHBondContact O-N 2.98Å; E371-R373 PolarHBondContact O-N 3.16Å; E371-R374 WeakPolarHBondContact O-CB 3.48Å; E371-R374 PolarHBondContact O-N 3.35Å; E371-M375 WeakPolarHBondContact O-CG 3.46Å; E371-M375 PolarHBondContact O-N 2.81Å
372F98.8Very high98.3Very high21 Ų2145.5 Ų45.59%0.09223%0.228CC..Hα-helixtrans-66.7-34.3179.1-71.8-54.8000113.2A341 M344 F345 W348 K368 I369 E370 M375 Q376A341-F372 HydrophobicContact CB-CB 4.05Å; M344-F372 HydrophobicContact CB-CD1 3.89Å; M344-F372 HydrophobicContact CB-CD2 4.38Å; M344-F372 HydrophobicContact CB-CE1 4.04Å; M344-F372 HydrophobicContact CB-CE2 4.49Å; M344-F372 HydrophobicContact CB-CG 4.07Å; M344-F372 HydrophobicContact CB-CZ 4.32Å; M344-F372 HydrophobicContact CE-CD1 3.63Å; M344-F372 HydrophobicContact CE-CE1 3.72Å; M344-F372 HydrophobicContact SD-CD1 4.27Å; F345-F372 HydrophobicContact CB-CD2 3.81Å; F345-F372 HydrophobicContact CB-CE2 4.26Å; F345-F372 HydrophobicContact CD2-CD2 4.4Å; W348-F372 HydrophobicContact CB-CE2 4.01Å; W348-F372 HydrophobicContact CB-CZ 4.12Å; W348-F372 HydrophobicContact CG-CE2 4.3Å; W348-F372 HydrophobicContact CG-CZ 4.44Å; K368-F372 HydrophobicContact CD-CE2 4.27Å; K368-F372 HydrophobicContact CG-CD2 4.23Å; K368-F372 HydrophobicContact CG-CE2 3.82Å; K368-F372 VanDerWaalsContact O-CD2 3.26Å; K368-F372 WeakPolarHBondContact O-CD2 3.46Å; K368-F372 PolarHBondContact O-N 3.47Å; K368-F372 VanDerWaalsContact O-N 3.16Å; I369-F372 PolarHBondContact O-N 3.43Å; E370-F372 PolarHBondContact O-N 3.03Å; F372-M375 HydrophobicContact CD1-SD 3.92Å; F372-M375 HydrophobicContact CE1-SD 4.49Å; F372-M375 PolarHBondContact O-N 3.27Å; F372-Q376 PolarHBondContact O-NE2 3.04Å
373R98.8Very high98.3Very high1 Ų145.5 Ų45.50%0.00423%0.228CC..Hα-helixtrans-66.9-39.6172.8-76.9-178.5163.4122.75.9112.3D338 A341 I369 E370 E371 M375 Q376 F379 S419D338-R373 IonicContact OD1-CZ 3.41Å; D338-R373 IonicContact OD1-NE 2.6Å; D338-R373 PolarHBondContact OD1-NE 3.36Å; D338-R373 IonicContact OD1-NH2 3.29Å; D338-R373 PolarHBondContact OD1-NH2 3.06Å; D338-R373 IonicContact OD2-CZ 3.43Å; D338-R373 IonicContact OD2-NE 3.52Å; D338-R373 IonicContact OD2-NH2 3.81Å; D338-R373 PolarHBondContact OD2-NH2 3.36Å; D338-R373 VanDerWaalsContact OD2-NH2 3.07Å; A341-R373 HydrophobicContact CB-CG 3.95Å; I369-R373 WeakPolarHBondContact O-CG 3.49Å; I369-R373 PolarHBondContact O-N 3.28Å; E370-R373 PolarHBondContact O-N 2.87Å; E371-R373 PolarHBondContact O-N 3.16Å; R373-M375 PolarHBondContact O-N 2.94Å; R373-Q376 VanDerWaalsContact O-CB 3.28Å; R373-Q376 WeakPolarHBondContact O-CB 3.42Å; R373-Q376 PolarHBondContact O-N 3.33Å; R373-F379 HydrophobicContact CB-CD2 3.98Å; R373-F379 HydrophobicContact CB-CE1 4.44Å; R373-F379 HydrophobicContact CB-CE2 3.59Å; R373-F379 HydrophobicContact CB-CZ 3.83Å; R373-F379 HydrophobicContact CG-CE2 4.37Å; R373-F379 WeakPolarHBondContact O-CG 3.45Å; R373-S419 PolarHBondContact NH1-OG 2.98Å; R373-S419 VanDerWaalsContact NH2-C 3.32Å; R373-S419 PolarHBondContact NH2-O 3.32Å; R373-S419 PolarHBondContact NH2-OG 2.99Å
374R98.6Very high98.2Very high149 Ų14944 Ų4456%0.56222%0.22SC*.Hα-helixtrans-64-24177.8-171.1176.8-62.3-77.30.2113.1E370 E371 Q376 F379E370-R374 VanDerWaalsContact O-CB 3.31Å; E370-R374 WeakPolarHBondContact O-CB 3.47Å; E370-R374 PolarHBondContact O-N 3.25Å; E370-R374 IonicContact OE1-CZ 3.92Å; E370-R374 IonicContact OE1-NH2 3.78Å; E370-R374 PolarHBondContact OE1-NH2 3.49Å; E371-R374 WeakPolarHBondContact O-CB 3.48Å; E371-R374 PolarHBondContact O-N 3.35Å; R374-Q376 VanDerWaalsContact C-N 3.26Å; R374-F379 HydrophobicContact CB-CD1 4.04Å; R374-F379 HydrophobicContact CB-CE1 4.1Å; R374-F379 HydrophobicContact CG-CD1 4.36Å
375M98.1Very high98.1Very high89 Ų8945.5 Ų45.544%0.43822%0.223SC..THydrogen-bonded Turntrans-73.7-16.7172-64.3170.462.400113.1M344 E371 F372 R373 Y610M344-M375 HydrophobicContact CE-CE 4.08Å; E371-M375 WeakPolarHBondContact O-CG 3.46Å; E371-M375 PolarHBondContact O-N 2.81Å; F372-M375 HydrophobicContact CD1-SD 3.92Å; F372-M375 HydrophobicContact CE1-SD 4.49Å; F372-M375 PolarHBondContact O-N 3.27Å; R373-M375 PolarHBondContact O-N 2.94Å; M375-Y610 HydrophobicContact CE-CE1 4.38Å; M375-Y610 VanDerWaalsContact CE-OH 3.29Å; M375-Y610 WeakPolarHBondContact CE-OH 3.45Å
376Q98.3Very high98Very high8 Ų846.1 Ų46.14%0.03723%0.228CC..SBendtrans-81.5141.1-179.3-55.9-52.5-51.500111.6K337 A341 F372 R373 R374 Y423K337-Q376 HydrophobicContact CB-CB 4.12Å; K337-Q376 HydrophobicContact CB-CG 4.26Å; K337-Q376 WeakPolarHBondContact O-CG 3.21Å; A341-Q376 HydrophobicContact CB-CG 4.02Å; F372-Q376 PolarHBondContact O-NE2 3.04Å; R373-Q376 VanDerWaalsContact O-CB 3.28Å; R373-Q376 WeakPolarHBondContact O-CB 3.42Å; R373-Q376 PolarHBondContact O-N 3.33Å; R374-Q376 VanDerWaalsContact C-N 3.26Å; Q376-Y423 HydrophobicContact CB-CE1 4.01Å
377P97.8Very high98Very high83 Ų8345.8 Ų45.854%0.53922%0.224SC..THydrogen-bonded Turntrans-57.4144.8176.2-24.533.1000112.8K337 F379K337-P377 HydrophobicContact CD-CB 4.4Å; K337-P377 WeakPolarHBondContact CD-O 3.29Å; K337-P377 PolarHBondContact NZ-O 3.46Å; P377-F379 PolarHBondContact O-N 3.38Å
378L98.1Very high98Very high67 Ų6739.6 Ų39.635%0.35120%0.195SC..THydrogen-bonded Turntrans68.78.8175.9-51.8176.2000115.8F182 L380 Y423 Y424 D425F182-L378 HydrophobicContact CE1-CD1 3.83Å; F182-L378 HydrophobicContact CZ-CD1 3.84Å; F182-L378 HydrophobicContact CZ-CD2 4.34Å; L378-L380 PolarHBondContact O-N 3.19Å; L378-Y423 CarbonylContact O-C 3.51Å; L378-Y423 WeakPolarHBondContact O-CA 3.4Å; L378-Y424 HydrophobicContact CB-CD2 4.06Å; L378-Y424 HydrophobicContact CD2-CD2 4.07Å; L378-Y424 WeakPolarHBondContact O-CD2 3.28Å; L378-Y424 PolarHBondContact O-N 2.64Å; L378-D425 HydrophobicContact CD1-CB 4.11Å; L378-D425 WeakPolarHBondContact CD1-OD2 3.42Å
379F98.6Very high98Very high30 Ų3037.7 Ų37.713%0.13219%0.187CC..EExtended strand (participates in β ladder)trans-64.6130.9177-177.5-109.2000112.2E370 R373 R374 P377 G381 Y423E370-F379 HydrophobicContact CG-CE1 4.49Å; E370-F379 HydrophobicContact CG-CZ 4.29Å; R373-F379 HydrophobicContact CB-CD2 3.98Å; R373-F379 HydrophobicContact CB-CE1 4.44Å; R373-F379 HydrophobicContact CB-CE2 3.59Å; R373-F379 HydrophobicContact CB-CZ 3.83Å; R373-F379 HydrophobicContact CG-CE2 4.37Å; R373-F379 WeakPolarHBondContact O-CG 3.45Å; R374-F379 HydrophobicContact CB-CD1 4.04Å; R374-F379 HydrophobicContact CB-CE1 4.1Å; R374-F379 HydrophobicContact CG-CD1 4.36Å; P377-F379 PolarHBondContact O-N 3.38Å; F379-G381 VanDerWaalsContact CE2-C 3.4Å; F379-G381 WeakPolarHBondContact CE2-O 3.21Å; F379-G381 WeakPolarHBondContact CZ-O 3.31Å; F379-Y423 HydrophobicContact CB-CD1 4.02Å; F379-Y423 HydrophobicContact CB-CE1 3.86Å; F379-Y423 HydrophobicContact CD2-CD1 4.28Å; F379-Y423 AromaticContact CD2-CE1 3.76Å; F379-Y423 HydrophobicContact CD2-CE1 3.76Å; F379-Y423 HydrophobicContact CD2-CE2 4.49Å; F379-Y423 AromaticContact CD2-CZ 3.87Å; F379-Y423 HydrophobicContact CG-CE1 4.3Å
380L97.7Very high97.9Very high61 Ų6137.9 Ų37.932%0.31919%0.189SC..EExtended strand (participates in β ladder)trans-104.4-29.4178.3-68.4173.6000112.4F176 L378 Q422 Y424F176-L380 HydrophobicContact CZ-CD1 4.11Å; F176-L380 HydrophobicContact CZ-CD2 4.43Å; L378-L380 PolarHBondContact O-N 3.19Å; L380-Q422 HydrophobicContact CB-CB 3.99Å; L380-Q422 PolarHBondContact N-O 2.82Å; L380-Y424 HydrophobicContact CD1-CG 4.46Å; L380-Y424 HydrophobicContact CD2-CD2 3.87Å; L380-Y424 HydrophobicContact CD2-CE1 4.12Å; L380-Y424 HydrophobicContact CD2-CE2 3.39Å; L380-Y424 HydrophobicContact CD2-CG 4.41Å; L380-Y424 HydrophobicContact CG-CD2 4.17Å; L380-Y424 HydrophobicContact CG-CE2 4.19Å
381G97.8Very high97.8Very high12 Ų1235.1 Ų35.112%0.12418%0.176CC..EExtended strand (participates in β ladder)trans151.4176.3-173.300000111F379 Q422F379-G381 VanDerWaalsContact CE2-C 3.4Å; F379-G381 WeakPolarHBondContact CE2-O 3.21Å; F379-G381 WeakPolarHBondContact CZ-O 3.31Å; G381-Q422 WeakPolarHBondContact O-CB 3.13Å; G381-Q422 PolarHBondContact O-N 3.11Å
382P98.3Very high97.7Very high24 Ų2433 Ų3316%0.15617%0.171CC..EExtended strand (participates in β ladder)trans-67.1148.217523.6-28.4000112.2Y227 F384 G420Y227-P382 WeakPolarHBondContact CA-O 3.42Å; Y227-P382 WeakPolarHBondContact CB-O 3.3Å; Y227-P382 HydrophobicContact CD1-CB 4.31Å; Y227-P382 HydrophobicContact CD1-CG 3.89Å; Y227-P382 HydrophobicContact CE1-CG 4.01Å; P382-F384 WeakPolarHBondContact CB-O 3.5Å; P382-G420 VanDerWaalsContact CA-O 3.31Å; P382-G420 WeakPolarHBondContact CA-O 3.4Å
383S98.4Very high97.6Very high0 Ų033.1 Ų33.10%017%0.173CC..SBendtrans-83.9-13.7178.358.30000114.1Y227 G420 G421 T428Y227-S383 VanDerWaalsContact CB-C 3.47Å; Y227-S383 WeakPolarHBondContact CB-O 3.48Å; S383-G420 PolarHBondContact N-O 3.47Å; S383-G420 WeakPolarHBondContact OG-CA 3.47Å; S383-G420 PolarHBondContact OG-O 3.03Å; S383-G421 PolarHBondContact OG-N 2.66Å; S383-T428 PolarHBondContact OG-O 3.19Å
384F96.3Very high97.5Very high8 Ų833.2 Ų33.24%0.03517%0.174CC..SBendtrans-160.8173.5167.152.3-83.9000109.3Y42 P382 T386 D418 D429 V500Y42-F384 HydrophobicContact CE2-CB 4.33Å; Y42-F384 WeakPolarHBondContact OH-CB 3.38Å; P382-F384 WeakPolarHBondContact CB-O 3.5Å; F384-T386 PolarHBondContact O-N 3.07Å; F384-D418 WeakPolarHBondContact CE2-OD1 3.41Å; F384-D418 WeakPolarHBondContact CZ-OD1 3.23Å; F384-D429 HydrophobicContact CE1-CB 4.4Å; F384-D429 WeakPolarHBondContact CE1-OD1 3.32Å; F384-D429 WeakPolarHBondContact CZ-OD1 3.47Å; F384-V500 HydrophobicContact CD1-CB 4.46Å; F384-V500 HydrophobicContact CD1-CG1 4.11Å; F384-V500 HydrophobicContact CD1-CG2 4.06Å; F384-V500 HydrophobicContact CE1-CG2 4.21Å
385E94.6Very high97.4Very high64 Ų6426.3 Ų26.330%0.29915%0.149SC..  trans-69115.3175.6-168.8166.7-158.800110.5Y227 I387 K400Y227-E385 HydrophobicContact CE1-CB 4.43Å; Y227-E385 HydrophobicContact CE2-CB 3.97Å; E385-I387 PolarHBondContact O-N 3.1Å; E385-K400 HydrophobicContact CG-CG 4.14Å; E385-K400 WeakPolarHBondContact OE2-CD 3.13Å; E385-K400 VanDerWaalsContact OE2-CE 3.26Å; E385-K400 WeakPolarHBondContact OE2-CE 3.19Å; E385-K400 IonicContact OE2-NZ 3.48Å; E385-K400 PolarHBondContact OE2-NZ 3.46Å
386T97.5Very high97.1Very high14 Ų1422.6 Ų22.69%0.08613%0.13CC..  trans-52124.3-178.5-62.90000111.9S366 I369 F384 S388 L417S366-T386 WeakPolarHBondContact OG-CG2 3.32Å; I369-T386 HydrophobicContact CG2-CG2 4.2Å; F384-T386 PolarHBondContact O-N 3.07Å; T386-S388 PolarHBondContact O-N 3.18Å; T386-L417 HydrophobicContact CG2-CD1 3.83Å
387I98Very high96.8Very high8 Ų822.7 Ų22.74%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-87.8101.9170.3-56173.8000106.6E385 A389 Y399 L416 L417 D418E385-I387 PolarHBondContact O-N 3.1Å; I387-A389 HydrophobicContact CG2-CB 4.33Å; I387-Y399 WeakPolarHBondContact CG1-O 3.31Å; I387-Y399 WeakPolarHBondContact CG2-O 3.29Å; I387-L416 HydrophobicContact CG2-CD2 3.93Å; I387-L417 WeakPolarHBondContact O-CA 3.37Å; I387-D418 HydrophobicContact CB-CB 4Å; I387-D418 HydrophobicContact CD1-CB 4.22Å; I387-D418 HydrophobicContact CG1-CB 4.48Å; I387-D418 PolarHBondContact N-O 3.43Å; I387-D418 PolarHBondContact O-N 2.88Å
388S98.3Very high96.3Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-111.9110.2170.8-174.60000107.9E362 A365 S366 T386 Y399 F415E362-S388 WeakPolarHBondContact CB-O 3.38Å; E362-S388 WeakPolarHBondContact CG-O 3.49Å; E362-S388 VanDerWaalsContact O-CB 3.28Å; E362-S388 WeakPolarHBondContact O-CB 3.49Å; E362-S388 PolarHBondContact O-OG 3.3Å; E362-S388 VanDerWaalsContact O-OG 3.11Å; A365-S388 WeakPolarHBondContact CB-OG 3Å; S366-S388 WeakPolarHBondContact OG-CB 3.42Å; T386-S388 PolarHBondContact O-N 3.18Å; S388-Y399 VanDerWaalsContact O-CE1 3.31Å; S388-Y399 WeakPolarHBondContact O-CE1 3.39Å; S388-F415 WeakPolarHBondContact OG-CE2 3.43Å; S388-F415 WeakPolarHBondContact OG-CZ 3.23Å
389A98.1Very high96Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-136.7120.9-16600000111.8E362 I387 N393 A394 Y399 F415 L416E362-A389 WeakPolarHBondContact OE1-CA 3.35Å; I387-A389 HydrophobicContact CG2-CB 4.33Å; A389-N393 HydrophobicContact CB-CB 4.21Å; A389-A394 HydrophobicContact CB-CB 3.89Å; A389-Y399 HydrophobicContact CB-CD1 3.65Å; A389-Y399 HydrophobicContact CB-CE1 4.32Å; A389-Y399 HydrophobicContact CB-CG 4.36Å; A389-F415 WeakPolarHBondContact O-CA 3.38Å; A389-L416 PolarHBondContact N-O 2.84Å; A389-L416 PolarHBondContact O-N 3.1Å
390S96.9Very high95.5Very high5 Ų518.1 Ų18.14%0.03510%0.1CC..EExtended strand (participates in β ladder)trans-104.8136176.4-164.90000111.7E362 S392 N393E362-S390 PolarHBondContact OE1-N 3.49Å; S390-S392 PolarHBondContact O-N 3.13Å; S390-N393 WeakPolarHBondContact O-CB 3.5Å; S390-N393 PolarHBondContact O-N 3.4Å; S390-N393 VanDerWaalsContact O-N 3.17Å
391G96.7Very high95.1Very high2 Ų215.7 Ų15.72%0.0219%0.088CC..G310 helixtrans52.3-123.9177.400000112.3N393 A394 L414 E537 F538G391-N393 PolarHBondContact O-N 2.86Å; G391-N393 VanDerWaalsContact O-N 3.1Å; G391-A394 WeakPolarHBondContact O-CB 3.16Å; G391-A394 PolarHBondContact O-N 2.96Å; G391-L414 PolarHBondContact N-O 3.25Å; G391-E537 CarbonylContact C-O 3.52Å; G391-F538 WeakPolarHBondContact O-CA 3.39Å
392S96.3Very high94.8Very high46 Ų4617.7 Ų17.732%0.32210%0.098SC..G310 helixtrans-60-25.6-175.259.90000114S390 A394 S395 N536 E537S390-S392 PolarHBondContact O-N 3.13Å; S392-A394 PolarHBondContact O-N 3.3Å; S392-S395 WeakPolarHBondContact O-CB 3.46Å; S392-S395 PolarHBondContact O-N 3.19Å; S392-S395 PolarHBondContact O-OG 3.09Å; S392-N536 VanDerWaalsContact CB-C 3.48Å; S392-N536 WeakPolarHBondContact CB-O 3.29Å; S392-E537 VanDerWaalsContact CA-O 3.24Å; S392-E537 WeakPolarHBondContact CA-O 3.25Å; S392-E537 PolarHBondContact N-O 3.2Å
393N96.7Very high94.5Very high25 Ų2525.3 Ų25.313%0.13413%0.129CC..G310 helixtrans-65.2-30.9177.5-73.8-16.9000111.6E362 A389 S390 G391 S395 I396 Y399E362-N393 WeakPolarHBondContact OE1-CB 3.36Å; E362-N393 PolarHBondContact OE1-ND2 3.08Å; E362-N393 PolarHBondContact OE2-ND2 3.44Å; A389-N393 HydrophobicContact CB-CB 4.21Å; S390-N393 WeakPolarHBondContact O-CB 3.5Å; S390-N393 PolarHBondContact O-N 3.4Å; S390-N393 VanDerWaalsContact O-N 3.17Å; G391-N393 PolarHBondContact O-N 2.86Å; G391-N393 VanDerWaalsContact O-N 3.1Å; N393-S395 PolarHBondContact O-N 3.16Å; N393-I396 WeakPolarHBondContact O-CB 3.45Å; N393-I396 PolarHBondContact O-N 3.31Å; N393-Y399 HydrophobicContact CB-CD1 4.05Å; N393-Y399 HydrophobicContact CB-CD2 4.19Å; N393-Y399 HydrophobicContact CB-CE1 3.85Å; N393-Y399 HydrophobicContact CB-CE2 4.03Å; N393-Y399 HydrophobicContact CB-CG 4.2Å; N393-Y399 PolarHBondContact ND2-OH 2.94Å
394A97Very high94.1Very high3 Ų333 Ų333%0.02516%0.164CC..G310 helixtrans-66.7-18177.500000112.9A389 G391 S392 I396 L416 Y533 G539A389-A394 HydrophobicContact CB-CB 3.89Å; G391-A394 WeakPolarHBondContact O-CB 3.16Å; G391-A394 PolarHBondContact O-N 2.96Å; S392-A394 PolarHBondContact O-N 3.3Å; A394-I396 PolarHBondContact O-N 3.34Å; A394-L416 HydrophobicContact CB-CB 3.86Å; A394-L416 HydrophobicContact CB-CD1 4.48Å; A394-Y533 WeakPolarHBondContact O-CD1 3.23Å; A394-G539 WeakPolarHBondContact O-CA 3.26Å
395S95.3Very high93.8Very high4 Ų435.6 Ų35.63%0.02818%0.181CC..G310 helixtrans-71.8-16172.372.50000113.4S392 N393 I397 K534 N536 F538S392-S395 WeakPolarHBondContact O-CB 3.46Å; S392-S395 PolarHBondContact O-N 3.19Å; S392-S395 PolarHBondContact O-OG 3.09Å; N393-S395 PolarHBondContact O-N 3.16Å; S395-I397 PolarHBondContact O-N 2.85Å; S395-K534 VanDerWaalsContact CB-O 3.24Å; S395-K534 WeakPolarHBondContact CB-O 3.33Å; S395-N536 PolarHBondContact OG-N 3.15Å; S395-F538 WeakPolarHBondContact CB-O 3.4Å
396I93.4Very high93.9Very high11 Ų1135 Ų356%0.05618%0.18CC..SBendtrans-87.5107.9171.9-58.3164.9000107.5L88 Q89 K92 N393 A394 H398 Y399L88-I396 HydrophobicContact CB-CG1 4.29Å; L88-I396 HydrophobicContact CD2-CG1 3.55Å; L88-I396 HydrophobicContact CG-CG1 3.81Å; Q89-I396 HydrophobicContact CB-CG2 4.04Å; K92-I396 HydrophobicContact CD-CD1 4.22Å; N393-I396 WeakPolarHBondContact O-CB 3.45Å; N393-I396 PolarHBondContact O-N 3.31Å; A394-I396 PolarHBondContact O-N 3.34Å; I396-H398 PolarHBondContact O-N 2.83Å; I396-Y399 HydrophobicContact CB-CD2 4.33Å; I396-Y399 HydrophobicContact CD1-CD2 3.95Å; I396-Y399 HydrophobicContact CG2-CD2 4.5Å; I396-Y399 WeakPolarHBondContact O-CB 3.43Å; I396-Y399 PolarHBondContact O-N 3.28Å
397I90.8Very high93.8Very high10 Ų1035.8 Ų35.85%0.05119%0.188CC..THydrogen-bonded Turntrans-57.9-46.5-164.1-63.8166.4000112.9I85 S395 P487 Y533I85-I397 HydrophobicContact CB-CB 4.23Å; I85-I397 HydrophobicContact CB-CD1 4.45Å; I85-I397 HydrophobicContact CB-CG2 4.18Å; I85-I397 HydrophobicContact CG2-CB 4.3Å; I85-I397 HydrophobicContact CG2-CD1 4.12Å; I85-I397 HydrophobicContact CG2-CG2 3.84Å; S395-I397 PolarHBondContact O-N 2.85Å; I397-P487 HydrophobicContact CD1-CG 3.38Å; I397-Y533 HydrophobicContact CB-CE1 4.39Å; I397-Y533 HydrophobicContact CD1-CD2 3.72Å; I397-Y533 HydrophobicContact CD1-CE2 3.85Å; I397-Y533 HydrophobicContact CD1-CG 4.15Å; I397-Y533 HydrophobicContact CG1-CD1 3.74Å; I397-Y533 HydrophobicContact CG1-CD2 3.65Å; I397-Y533 HydrophobicContact CG1-CE1 3.78Å; I397-Y533 HydrophobicContact CG1-CE2 3.7Å; I397-Y533 HydrophobicContact CG1-CG 3.67Å; I397-Y533 HydrophobicContact CG2-CE1 4.4Å; I397-Y533 HydrophobicContact CG2-CE2 4.46Å
398H87.1Confident93.8Very high34 Ų3440.9 Ų40.916%0.15721%0.212CC..THydrogen-bonded Turntrans-105.544.6173.8-69.1-176.8000111.3I85 Y86 I396 K400I85-H398 VanDerWaalsContact CD1-CE1 3.45Å; I85-H398 WeakPolarHBondContact CD1-CE1 3.34Å; Y86-H398 HydrophobicContact CE1-CB 3.67Å; Y86-H398 AromaticContact CE1-ND1 3.98Å; Y86-H398 AromaticContact CZ-ND1 3.51Å; Y86-H398 PolarHBondContact OH-ND1 2.92Å; I396-H398 PolarHBondContact O-N 2.83Å; H398-K400 PolarHBondContact O-N 3.25Å
399Y92.2Very high93.7Very high10 Ų1041.3 Ų41.34%0.03921%0.214CC..  trans-56.6135.4176.2178.8-110.3000111.4E362 I387 S388 A389 N393 I396 P401 T405E362-Y399 VanDerWaalsContact OE2-CE1 3.3Å; E362-Y399 WeakPolarHBondContact OE2-CE1 3.27Å; E362-Y399 PolarHBondContact OE2-OH 3.26Å; I387-Y399 WeakPolarHBondContact CG1-O 3.31Å; I387-Y399 WeakPolarHBondContact CG2-O 3.29Å; S388-Y399 VanDerWaalsContact O-CE1 3.31Å; S388-Y399 WeakPolarHBondContact O-CE1 3.39Å; A389-Y399 HydrophobicContact CB-CD1 3.65Å; A389-Y399 HydrophobicContact CB-CE1 4.32Å; A389-Y399 HydrophobicContact CB-CG 4.36Å; N393-Y399 HydrophobicContact CB-CD1 4.05Å; N393-Y399 HydrophobicContact CB-CD2 4.19Å; N393-Y399 HydrophobicContact CB-CE1 3.85Å; N393-Y399 HydrophobicContact CB-CE2 4.03Å; N393-Y399 HydrophobicContact CB-CG 4.2Å; N393-Y399 PolarHBondContact ND2-OH 2.94Å; I396-Y399 HydrophobicContact CB-CD2 4.33Å; I396-Y399 HydrophobicContact CD1-CD2 3.95Å; I396-Y399 HydrophobicContact CG2-CD2 4.5Å; I396-Y399 WeakPolarHBondContact O-CB 3.43Å; I396-Y399 PolarHBondContact O-N 3.28Å; Y399-P401 HydrophobicContact CE1-CB 3.86Å; Y399-P401 HydrophobicContact CE1-CG 4.32Å; Y399-T405 WeakPolarHBondContact OH-CB 2.92Å; Y399-T405 PolarHBondContact OH-O 2.66Å; Y399-T405 PolarHBondContact OH-OG1 3.04Å
400K88.1Confident93.6Very high40 Ų4044.5 Ų44.517%0.17423%0.231CC..  trans-128.6110.4177.1-70.9158.2172.1-131.70107.7E385 H398 T402E385-K400 HydrophobicContact CG-CG 4.14Å; E385-K400 WeakPolarHBondContact OE2-CD 3.13Å; E385-K400 VanDerWaalsContact OE2-CE 3.26Å; E385-K400 WeakPolarHBondContact OE2-CE 3.19Å; E385-K400 IonicContact OE2-NZ 3.48Å; E385-K400 PolarHBondContact OE2-NZ 3.46Å; H398-K400 PolarHBondContact O-N 3.25Å; K400-T402 PolarHBondContact O-N 3.46Å
401P90.3Very high93.5Very high10 Ų1044.8 Ų44.87%0.06523%0.233CC..  trans-6312917825.3-32000109.6E362 L363 Y399E362-P401 HydrophobicContact CB-CB 3.75Å; E362-P401 HydrophobicContact CB-CG 4.18Å; L363-P401 HydrophobicContact CD2-CB 4Å; L363-P401 HydrophobicContact CD2-CG 4.09Å; L363-P401 WeakPolarHBondContact CD2-O 3.39Å; L363-P401 HydrophobicContact CG-CB 4.19Å; Y399-P401 HydrophobicContact CE1-CB 3.86Å; Y399-P401 HydrophobicContact CE1-CG 4.32Å
402T90.1Very high93.4Very high54 Ų5448.9 Ų48.933%0.33126%0.255SS..  trans-109.6173.6170.278.70000109.7K400 E404 T405 N406K400-T402 PolarHBondContact O-N 3.46Å; T402-E404 VanDerWaalsContact CB-OE2 3.31Å; T402-E404 WeakPolarHBondContact CB-OE2 3.48Å; T402-E404 PolarHBondContact O-N 3.28Å; T402-E404 PolarHBondContact OG1-N 2.81Å; T402-E404 PolarHBondContact OG1-OE2 3.39Å; T402-T405 PolarHBondContact N-OG1 2.91Å; T402-T405 PolarHBondContact O-N 3.31Å; T402-T405 PolarHBondContact OG1-N 2.66Å; T402-N406 WeakPolarHBondContact O-CA 3.35Å; T402-N406 VanDerWaalsContact O-CB 3.27Å; T402-N406 WeakPolarHBondContact O-CB 3.49Å; T402-N406 PolarHBondContact O-N 3.43Å
403K92.3Very high93.4Very high184 Ų18450.2 Ų50.280%0.826%0.256SS*.THydrogen-bonded Turntrans-57.5-31.9174.9-68.5-176.4179.3179.90112.2L363L363-K403 HydrophobicContact CD1-CG 4.38Å
404E90.3Very high93.4Very high160 Ų16049.1 Ų49.175%0.74825%0.25SC*.THydrogen-bonded Turntrans-83.1-30-178.5-56.271.3-152.400112.8T402T402-E404 VanDerWaalsContact CB-OE2 3.31Å; T402-E404 WeakPolarHBondContact CB-OE2 3.48Å; T402-E404 PolarHBondContact O-N 3.28Å; T402-E404 PolarHBondContact OG1-N 2.81Å; T402-E404 PolarHBondContact OG1-OE2 3.39Å
405T90.4Very high93.5Very high64 Ų6449 Ų4939%0.39325%0.249SC..THydrogen-bonded Turntrans-101.60.6-179.869.50000113.9Y399 T402 A407Y399-T405 WeakPolarHBondContact OH-CB 2.92Å; Y399-T405 PolarHBondContact OH-O 2.66Å; Y399-T405 PolarHBondContact OH-OG1 3.04Å; T402-T405 PolarHBondContact N-OG1 2.91Å; T402-T405 PolarHBondContact O-N 3.31Å; T402-T405 PolarHBondContact OG1-N 2.66Å; T405-A407 PolarHBondContact O-N 3.32Å
406N95.7Very high93.6Very high51 Ų5148.9 Ų48.927%0.27325%0.248SC..  trans-59.695.3-174.8-172.530.9000112.4T361 E362 L363 T402T361-N406 WeakPolarHBondContact CB-ND2 3.32Å; T361-N406 VanDerWaalsContact CB-OD1 3.28Å; T361-N406 WeakPolarHBondContact CB-OD1 3.09Å; T361-N406 PolarHBondContact OG1-ND2 2.68Å; T361-N406 PolarHBondContact OG1-OD1 3.12Å; E362-N406 PolarHBondContact N-OD1 2.95Å; L363-N406 WeakPolarHBondContact CB-OD1 3.11Å; L363-N406 HydrophobicContact CD1-CB 3.78Å; L363-N406 HydrophobicContact CG-CB 4Å; L363-N406 WeakPolarHBondContact CG-OD1 3.26Å; L363-N406 PolarHBondContact N-OD1 3.17Å; T402-N406 WeakPolarHBondContact O-CA 3.35Å; T402-N406 VanDerWaalsContact O-CB 3.27Å; T402-N406 WeakPolarHBondContact O-CB 3.49Å; T402-N406 PolarHBondContact O-N 3.43Å
407A96.2Very high93.9Very high31 Ų3148.4 Ų48.426%0.25625%0.246SC..PPolyproline II helixtrans-81.9147.8179.600000111.2T361 E362 T405T361-A407 CarbonylContact C-O 3.59Å; T361-A407 WeakPolarHBondContact CA-O 3.3Å; T361-A407 WeakPolarHBondContact CB-O 3.12Å; E362-A407 HydrophobicContact CG-CB 4.31Å; E362-A407 PolarHBondContact N-O 2.93Å; E362-A407 PolarHBondContact OE2-N 3.19Å; E362-A407 VanDerWaalsContact OE2-N 3.16Å; T405-A407 PolarHBondContact O-N 3.32Å
408Q97.1Very high94.3Very high115 Ų11548.5 Ų48.554%0.53725%0.246SC..BIsolated β-bridgetrans-73.5133.7165.5-174.2-179.4-15.400109.1C359 V360C359-Q408 PolarHBondContact SG-OE1 3.39Å; V360-Q408 CarbonylContact O-C 3.53Å; V360-Q408 WeakPolarHBondContact O-CA 3.39Å; V360-Q408 WeakPolarHBondContact O-CG 3.46Å
409L97.3Very high94.8Very high8 Ų846.9 Ų46.94%0.04224%0.239CC..PPolyproline II helixtrans-63.9140.4173.2-85.563.6000109.9L349 M353 V360 E362 F415L349-L409 HydrophobicContact CD1-CD2 3.75Å; L349-L409 HydrophobicContact CD2-CD2 4.45Å; M353-L409 HydrophobicContact CE-CB 3.93Å; M353-L409 HydrophobicContact SD-CB 3.94Å; M353-L409 HydrophobicContact SD-CD2 4.38Å; V360-L409 HydrophobicContact CB-CD2 4.48Å; V360-L409 HydrophobicContact CG1-CD1 4.38Å; V360-L409 HydrophobicContact CG1-CD2 4Å; V360-L409 PolarHBondContact O-N 3.22Å; E362-L409 HydrophobicContact CG-CD1 4.05Å; L409-F415 HydrophobicContact CD1-CD2 4.37Å; L409-F415 HydrophobicContact CD1-CE2 4.15Å; L409-F415 HydrophobicContact CD2-CD1 4.49Å; L409-F415 HydrophobicContact CD2-CD2 3.7Å; L409-F415 HydrophobicContact CD2-CE1 4.49Å; L409-F415 HydrophobicContact CD2-CE2 3.71Å; L409-F415 HydrophobicContact CD2-CG 4.1Å; L409-F415 HydrophobicContact CD2-CZ 4.12Å; L409-F415 HydrophobicContact CG-CD2 3.84Å; L409-F415 HydrophobicContact CG-CE2 4.02Å
410N94.6Very high95.2Very high68 Ų6846.4 Ų46.436%0.36424%0.237SC..  trans-117.2128.3175.9-173.5-24.3000110N412 Q413N410-N412 PolarHBondContact O-N 2.93Å; N410-N412 VanDerWaalsContact O-N 3.14Å; N410-N412 WeakPolarHBondContact OD1-CB 3.48Å; N410-N412 PolarHBondContact OD1-N 2.81Å; N410-Q413 HydrophobicContact CB-CB 4.13Å; N410-Q413 HydrophobicContact CB-CG 3.94Å; N410-Q413 VanDerWaalsContact CB-OE1 3.29Å; N410-Q413 PolarHBondContact O-N 3.32Å
411A94.8Very high95.7Very high10 Ų1044.5 Ų44.58%0.08323%0.228CC..THydrogen-bonded Turntrans-63.1-20.1-179.300000113.7M353 F436 E437M353-A411 HydrophobicContact CE-CB 3.93Å; M353-A411 VanDerWaalsContact CE-N 3.34Å; A411-F436 HydrophobicContact CB-CB 3.97Å; A411-F436 PolarHBondContact O-N 3.33Å; A411-E437 HydrophobicContact CB-CB 4.38Å; A411-E437 HydrophobicContact CB-CG 3.86Å; A411-E437 PolarHBondContact O-N 3.14Å
412N94.6Very high96.1Very high88 Ų8844.2 Ų44.247%0.47123%0.226SC..THydrogen-bonded Turntrans-97.612178.1-65.8-72.9000113.4N410 E437N410-N412 PolarHBondContact O-N 2.93Å; N410-N412 VanDerWaalsContact O-N 3.14Å; N410-N412 WeakPolarHBondContact OD1-CB 3.48Å; N410-N412 PolarHBondContact OD1-N 2.81Å; N412-E437 PolarHBondContact ND2-OE2 3.3Å; N412-E437 WeakPolarHBondContact OD1-CB 3.46Å; N412-E437 PolarHBondContact OD1-OE2 3.44Å
413Q96.3Very high96.5Very high75 Ų7541.7 Ų41.735%0.3521%0.211SC..SBendtrans-125.2148.9175.7-66.2-178.4-48.100110N410 F415 M435N410-Q413 HydrophobicContact CB-CB 4.13Å; N410-Q413 HydrophobicContact CB-CG 3.94Å; N410-Q413 VanDerWaalsContact CB-OE1 3.29Å; N410-Q413 PolarHBondContact O-N 3.32Å; Q413-F415 PolarHBondContact O-N 3.1Å; Q413-M435 VanDerWaalsContact O-SD 3.36Å
414L98Very high96.8Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..  trans-59.2139.4171.2-73.8173.3000109.9G391 T433 M434 M435 E443 F538 I540 L576G391-L414 PolarHBondContact N-O 3.25Å; L414-T433 HydrophobicContact CB-CG2 4.37Å; L414-T433 HydrophobicContact CD2-CG2 4.04Å; L414-M434 WeakPolarHBondContact CA-O 3.5Å; L414-M435 HydrophobicContact CD2-CB 4.13Å; L414-M435 HydrophobicContact CD2-CE 3.94Å; L414-M435 HydrophobicContact CG-CE 3.84Å; L414-E443 HydrophobicContact CD1-CB 4.07Å; L414-E443 HydrophobicContact CD1-CG 3.84Å; L414-E443 HydrophobicContact CG-CG 4.5Å; L414-F538 HydrophobicContact CB-CB 4.48Å; L414-F538 HydrophobicContact CD1-CB 3.91Å; L414-F538 HydrophobicContact CD1-CD2 3.67Å; L414-F538 HydrophobicContact CD1-CE2 4.42Å; L414-F538 HydrophobicContact CD1-CG 3.89Å; L414-I540 HydrophobicContact CD1-CD1 4.18Å; L414-I540 HydrophobicContact CD1-CG1 3.92Å; L414-L576 HydrophobicContact CD2-CD1 4.07Å; L414-L576 HydrophobicContact CD2-CD2 4.08Å
415F98.2Very high97.1Very high1 Ų129.6 Ų29.60%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-118.6121.5172.7174.9-110.9000108.8F345 L349 A365 S388 A389 L409 Q413 L417 T433 M434 F436F345-F415 HydrophobicContact CE1-CE1 4.36Å; F345-F415 HydrophobicContact CZ-CE1 4.42Å; L349-F415 HydrophobicContact CD2-CD1 3.68Å; L349-F415 HydrophobicContact CD2-CE1 3.41Å; L349-F415 VanDerWaalsContact CD2-CE1 3.41Å; L349-F415 HydrophobicContact CD2-CZ 4.24Å; A365-F415 HydrophobicContact CB-CZ 4.17Å; S388-F415 WeakPolarHBondContact OG-CE2 3.43Å; S388-F415 WeakPolarHBondContact OG-CZ 3.23Å; A389-F415 WeakPolarHBondContact O-CA 3.38Å; L409-F415 HydrophobicContact CD1-CD2 4.37Å; L409-F415 HydrophobicContact CD1-CE2 4.15Å; L409-F415 HydrophobicContact CD2-CD1 4.49Å; L409-F415 HydrophobicContact CD2-CD2 3.7Å; L409-F415 HydrophobicContact CD2-CE1 4.49Å; L409-F415 HydrophobicContact CD2-CE2 3.71Å; L409-F415 HydrophobicContact CD2-CG 4.1Å; L409-F415 HydrophobicContact CD2-CZ 4.12Å; L409-F415 HydrophobicContact CG-CD2 3.84Å; L409-F415 HydrophobicContact CG-CE2 4.02Å; Q413-F415 PolarHBondContact O-N 3.1Å; F415-L417 HydrophobicContact CE1-CB 3.82Å; F415-L417 HydrophobicContact CE1-CD1 4.46Å; F415-L417 HydrophobicContact CZ-CB 4.1Å; F415-L417 HydrophobicContact CZ-CD1 4.07Å; F415-T433 CarbonylContact O-C 3.58Å; F415-T433 WeakPolarHBondContact O-CA 3.32Å; F415-M434 PolarHBondContact N-O 3.26Å; F415-M434 PolarHBondContact O-N 3.16Å; F415-F436 HydrophobicContact CB-CE2 4.11Å
416L98.7Very high97.5Very high2 Ų226.6 Ų26.61%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-106.4124.9175.1-174.7154.8000108.4I387 A389 A394 D418 T431 R541I387-L416 HydrophobicContact CG2-CD2 3.93Å; A389-L416 PolarHBondContact N-O 2.84Å; A389-L416 PolarHBondContact O-N 3.1Å; A394-L416 HydrophobicContact CB-CB 3.86Å; A394-L416 HydrophobicContact CB-CD1 4.48Å; L416-D418 HydrophobicContact CD2-CB 4.06Å; L416-T431 HydrophobicContact CD1-CG2 4.43Å; L416-T431 HydrophobicContact CD2-CG2 3.94Å; L416-T431 HydrophobicContact CG-CG2 3.97Å; L416-R541 HydrophobicContact CD1-CB 4.05Å
417L98.8Very high97.7Very high1 Ų124.1 Ų24.11%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-117.1115.5169.1-174.584000108.6L342 F345 F346 I369 T386 I387 F415 T431 R432L342-L417 HydrophobicContact CD2-CD2 3.96Å; F345-L417 HydrophobicContact CD1-CD2 3.87Å; F345-L417 HydrophobicContact CE1-CD1 4.4Å; F345-L417 HydrophobicContact CE1-CD2 3.55Å; F345-L417 HydrophobicContact CE1-CG 4.46Å; F345-L417 HydrophobicContact CZ-CD1 4.36Å; F345-L417 HydrophobicContact CZ-CD2 4.25Å; F346-L417 HydrophobicContact CE1-CB 4.41Å; F346-L417 HydrophobicContact CE1-CD2 3.95Å; F346-L417 HydrophobicContact CZ-CD2 3.87Å; I369-L417 HydrophobicContact CG1-CD2 4.4Å; I369-L417 HydrophobicContact CG2-CD1 4.36Å; T386-L417 HydrophobicContact CG2-CD1 3.83Å; I387-L417 WeakPolarHBondContact O-CA 3.37Å; F415-L417 HydrophobicContact CE1-CB 3.82Å; F415-L417 HydrophobicContact CE1-CD1 4.46Å; F415-L417 HydrophobicContact CZ-CB 4.1Å; F415-L417 HydrophobicContact CZ-CD1 4.07Å; L417-T431 CarbonylContact O-C 3.53Å; L417-T431 VanDerWaalsContact O-CA 3.28Å; L417-T431 WeakPolarHBondContact O-CA 3.4Å; L417-T431 WeakPolarHBondContact O-CG2 3.21Å; L417-R432 PolarHBondContact N-O 2.85Å; L417-R432 PolarHBondContact O-N 2.84Å
418D98.8Very high97.8Very high11 Ų1122.7 Ų22.76%0.05911%0.111CC..EExtended strand (participates in β ladder)trans-118.2121.4167.3176.615.5000109.3F384 I387 L416 T431 R541F384-D418 WeakPolarHBondContact CE2-OD1 3.41Å; F384-D418 WeakPolarHBondContact CZ-OD1 3.23Å; I387-D418 HydrophobicContact CB-CB 4Å; I387-D418 HydrophobicContact CD1-CB 4.22Å; I387-D418 HydrophobicContact CG1-CB 4.48Å; I387-D418 PolarHBondContact N-O 3.43Å; I387-D418 PolarHBondContact O-N 2.88Å; L416-D418 HydrophobicContact CD2-CB 4.06Å; D418-T431 HydrophobicContact CB-CG2 3.74Å; D418-T431 WeakPolarHBondContact CB-OG1 3.33Å; D418-T431 PolarHBondContact OD1-OG1 2.95Å; D418-T431 VanDerWaalsContact OD1-OG1 3.09Å; D418-T431 PolarHBondContact OD2-OG1 3.12Å; D418-R541 VanDerWaalsContact CG-NH2 3.29Å; D418-R541 IonicContact OD2-CZ 3.45Å; D418-R541 IonicContact OD2-NE 2.84Å; D418-R541 PolarHBondContact OD2-NE 3.02Å; D418-R541 IonicContact OD2-NH2 2.8Å; D418-R541 PolarHBondContact OD2-NH2 2.68Å
419S98.8Very high97.9Very high0 Ų017.3 Ų17.30%09%0.086CC..  trans-163.2147.3-168.672.70000112R373 V430R373-S419 PolarHBondContact NH1-OG 2.98Å; R373-S419 VanDerWaalsContact NH2-C 3.32Å; R373-S419 PolarHBondContact NH2-O 3.32Å; R373-S419 PolarHBondContact NH2-OG 2.99Å; S419-V430 PolarHBondContact N-O 3.46Å; S419-V430 VanDerWaalsContact N-O 3.11Å; S419-V430 VanDerWaalsContact O-CG1 3.22Å; S419-V430 WeakPolarHBondContact O-CG1 3.41Å
420G98.8Very high98Very high0 Ų017.1 Ų17.10%09%0.085CC..  trans-145.5168177.600000113.3P382 S383 T428P382-G420 VanDerWaalsContact CA-O 3.31Å; P382-G420 WeakPolarHBondContact CA-O 3.4Å; S383-G420 PolarHBondContact N-O 3.47Å; S383-G420 WeakPolarHBondContact OG-CA 3.47Å; S383-G420 PolarHBondContact OG-O 3.03Å; G420-T428 VanDerWaalsContact CA-O 3.3Å; G420-T428 WeakPolarHBondContact CA-O 3.49Å
421G98.7Very high98.2Very high0 Ų013.9 Ų13.90%07%0.068CC..EExtended strand (participates in β ladder)trans-122.8143.2179.200000112.8S383 T427 T428S383-G421 PolarHBondContact OG-N 2.66Å; G421-T427 WeakPolarHBondContact O-CA 3.17Å; G421-T428 PolarHBondContact N-OG1 2.81Å; G421-T428 PolarHBondContact O-N 2.61Å
422Q98.8Very high98.4Very high5 Ų513.6 Ų13.62%0.0236%0.064CC..EExtended strand (participates in β ladder)trans-90131.9160-62.9-67.21.500108.9Y227 L380 G381 T427 L498Y227-Q422 WeakPolarHBondContact O-CG 3.47Å; Y227-Q422 PolarHBondContact O-NE2 2.84Å; L380-Q422 HydrophobicContact CB-CB 3.99Å; L380-Q422 PolarHBondContact N-O 2.82Å; G381-Q422 WeakPolarHBondContact O-CB 3.13Å; G381-Q422 PolarHBondContact O-N 3.11Å; Q422-T427 PolarHBondContact OE1-OG1 2.51Å; Q422-L498 PolarHBondContact NE2-O 3.49Å
423Y98.7Very high98.6Very high0 Ų09.5 Ų9.50%04%0.042CC..EExtended strand (participates in β ladder)trans-130.6155.9173.2-56.3-96.5000109.2A334 D338 Q376 L378 F379 D425 G426 T428 C497A334-Y423 HydrophobicContact CB-CD2 4.16Å; A334-Y423 HydrophobicContact CB-CG 4.39Å; D338-Y423 HydrophobicContact CB-CE2 4.25Å; D338-Y423 PolarHBondContact OD1-OH 2.78Å; D338-Y423 VanDerWaalsContact OD1-OH 3.07Å; Q376-Y423 HydrophobicContact CB-CE1 4.01Å; L378-Y423 CarbonylContact O-C 3.51Å; L378-Y423 WeakPolarHBondContact O-CA 3.4Å; F379-Y423 HydrophobicContact CB-CD1 4.02Å; F379-Y423 HydrophobicContact CB-CE1 3.86Å; F379-Y423 HydrophobicContact CD2-CD1 4.28Å; F379-Y423 AromaticContact CD2-CE1 3.76Å; F379-Y423 HydrophobicContact CD2-CE1 3.76Å; F379-Y423 HydrophobicContact CD2-CE2 4.49Å; F379-Y423 AromaticContact CD2-CZ 3.87Å; F379-Y423 HydrophobicContact CG-CE1 4.3Å; Y423-D425 WeakPolarHBondContact CB-OD1 3.36Å; Y423-D425 PolarHBondContact O-N 3.45Å; Y423-D425 VanDerWaalsContact O-N 3.13Å; Y423-G426 WeakPolarHBondContact CA-O 3.43Å; Y423-G426 PolarHBondContact N-O 3.28Å; Y423-G426 PolarHBondContact O-N 3.03Å; Y423-G426 VanDerWaalsContact O-N 3.12Å; Y423-T428 HydrophobicContact CD2-CG2 4.29Å; Y423-T428 HydrophobicContact CE2-CG2 4Å; Y423-C497 VanDerWaalsContact O-CB 3.26Å; Y423-C497 WeakPolarHBondContact O-CB 3.36Å; Y423-C497 PolarHBondContact O-SG 3.06Å
424Y98.3Very high98.6Very high80 Ų806.3 Ų6.331%0.3143%0.028SC..THydrogen-bonded Turntrans-55-31.5171.7-74.7-84.7000112.3F176 H178 F182 L378 L380F176-Y424 HydrophobicContact CD2-CD1 4.41Å; F176-Y424 AromaticContact CD2-CE1 3.69Å; F176-Y424 HydrophobicContact CD2-CE1 3.69Å; F176-Y424 AromaticContact CE2-CD1 3.8Å; F176-Y424 HydrophobicContact CE2-CD1 3.8Å; F176-Y424 AromaticContact CE2-CE1 3.34Å; F176-Y424 HydrophobicContact CE2-CE1 3.34Å; F176-Y424 HydrophobicContact CZ-CE1 4.09Å; H178-Y424 PolarHBondContact NE2-O 3.29Å; F182-Y424 HydrophobicContact CE2-CG 4.34Å; F182-Y424 WeakPolarHBondContact CG-O 3.48Å; L378-Y424 HydrophobicContact CB-CD2 4.06Å; L378-Y424 HydrophobicContact CD2-CD2 4.07Å; L378-Y424 WeakPolarHBondContact O-CD2 3.28Å; L378-Y424 PolarHBondContact O-N 2.64Å; L380-Y424 HydrophobicContact CD1-CG 4.46Å; L380-Y424 HydrophobicContact CD2-CD2 3.87Å; L380-Y424 HydrophobicContact CD2-CE1 4.12Å; L380-Y424 HydrophobicContact CD2-CE2 3.39Å; L380-Y424 HydrophobicContact CD2-CG 4.41Å; L380-Y424 HydrophobicContact CG-CD2 4.17Å; L380-Y424 HydrophobicContact CG-CE2 4.19Å
425D98.4Very high98.5Very high11 Ų116.3 Ų6.36%0.0593%0.028CC..THydrogen-bonded Turntrans-98.37.8-178.957.4-15000114.3F182 S330 M331 K337 L378 Y423 M496F182-D425 HydrophobicContact CD1-CB 3.63Å; F182-D425 HydrophobicContact CE1-CB 3.77Å; S330-D425 CarbonylContact C-O 3.6Å; S330-D425 VanDerWaalsContact CB-O 3.25Å; S330-D425 WeakPolarHBondContact CB-O 3.32Å; M331-D425 WeakPolarHBondContact CA-O 3.47Å; M331-D425 PolarHBondContact N-O 2.99Å; M331-D425 VanDerWaalsContact N-O 3.17Å; K337-D425 WeakPolarHBondContact CE-OD2 3.41Å; K337-D425 IonicContact NZ-OD1 2.58Å; K337-D425 PolarHBondContact NZ-OD1 2.72Å; K337-D425 IonicContact NZ-OD2 2.73Å; K337-D425 PolarHBondContact NZ-OD2 3.45Å; L378-D425 HydrophobicContact CD1-CB 4.11Å; L378-D425 WeakPolarHBondContact CD1-OD2 3.42Å; Y423-D425 WeakPolarHBondContact CB-OD1 3.36Å; Y423-D425 PolarHBondContact O-N 3.45Å; Y423-D425 VanDerWaalsContact O-N 3.13Å; D425-M496 VanDerWaalsContact C-CE 3.47Å; D425-M496 VanDerWaalsContact O-CE 3.28Å; D425-M496 WeakPolarHBondContact O-CE 3.31Å; D425-M496 VanDerWaalsContact O-SD 3.37Å
426G98.6Very high98.4Very high0 Ų06.7 Ų6.70%03%0.029CC..EExtended strand (participates in β ladder)trans164.8175.3173.500000115.9Y423Y423-G426 WeakPolarHBondContact CA-O 3.43Å; Y423-G426 PolarHBondContact N-O 3.28Å; Y423-G426 PolarHBondContact O-N 3.03Å; Y423-G426 VanDerWaalsContact O-N 3.12Å
427T98.9Very high98Very high0 Ų010.9 Ų10.90%05%0.049CC..EExtended strand (participates in β ladder)trans-120.2135.5171.6-54.60000107.8H335 G421 Q422 V494 G495 C497 L498 V500H335-T427 PolarHBondContact CE1-O 3.36Å; H335-T427 VanDerWaalsContact CE1-O 3.26Å; G421-T427 WeakPolarHBondContact O-CA 3.17Å; Q422-T427 PolarHBondContact OE1-OG1 2.51Å; T427-V494 HydrophobicContact CG2-CG1 4.14Å; T427-V494 WeakPolarHBondContact O-CG1 3.45Å; T427-G495 VanDerWaalsContact CB-O 3.23Å; T427-G495 WeakPolarHBondContact CB-O 3.22Å; T427-G495 PolarHBondContact OG1-O 2.73Å; T427-C497 WeakPolarHBondContact OG1-CA 3.18Å; T427-C497 PolarHBondContact OG1-N 2.78Å; T427-C497 VanDerWaalsContact OG1-N 3.16Å; T427-L498 PolarHBondContact OG1-N 2.97Å; T427-L498 VanDerWaalsContact OG1-N 3.16Å; T427-V500 HydrophobicContact CG2-CB 4Å; T427-V500 HydrophobicContact CG2-CG2 4.1Å
428T98.9Very high97.5Very high0 Ų012.7 Ų12.70%07%0.068CC..  trans-115.6154.8178.172.80000111.6A334 D338 S383 G420 G421 Y423A334-T428 HydrophobicContact CB-CG2 4.45Å; D338-T428 HydrophobicContact CB-CG2 3.74Å; D338-T428 WeakPolarHBondContact OD2-CB 3.16Å; D338-T428 PolarHBondContact OD2-OG1 2.69Å; S383-T428 PolarHBondContact OG-O 3.19Å; G420-T428 VanDerWaalsContact CA-O 3.3Å; G420-T428 WeakPolarHBondContact CA-O 3.49Å; G421-T428 PolarHBondContact N-OG1 2.81Å; G421-T428 PolarHBondContact O-N 2.61Å; Y423-T428 HydrophobicContact CD2-CG2 4.29Å; Y423-T428 HydrophobicContact CE2-CG2 4Å
429D98.8Very high97.3Very high3 Ų313 Ų132%0.0167%0.072CC..  trans-149.7132.8174.7-155.6-12.4000109.8F384 H492 V500 T527F384-D429 HydrophobicContact CE1-CB 4.4Å; F384-D429 WeakPolarHBondContact CE1-OD1 3.32Å; F384-D429 WeakPolarHBondContact CZ-OD1 3.47Å; D429-H492 IonicContact OD2-CE1 3.5Å; D429-H492 PolarHBondContact OD2-CE1 3.13Å; D429-H492 VanDerWaalsContact OD2-CE1 3.31Å; D429-H492 IonicContact OD2-NE2 3.9Å; D429-V500 HydrophobicContact CB-CG2 3.79Å; D429-V500 VanDerWaalsContact OD2-CG2 3.23Å; D429-V500 WeakPolarHBondContact OD2-CG2 3.46Å; D429-T527 HydrophobicContact CB-CG2 4.11Å
430V98.9Very high97.2Very high3 Ų315.8 Ų15.82%0.0189%0.091CC..  trans-167.3127.5-172.749.90000112.2L342 S419 T568L342-V430 HydrophobicContact CD1-CB 4.34Å; L342-V430 HydrophobicContact CD1-CG1 3.27Å; L342-V430 HydrophobicContact CD1-CG2 4.17Å; S419-V430 PolarHBondContact N-O 3.46Å; S419-V430 VanDerWaalsContact N-O 3.11Å; S419-V430 VanDerWaalsContact O-CG1 3.22Å; S419-V430 WeakPolarHBondContact O-CG1 3.41Å; V430-T568 HydrophobicContact CB-CG2 3.84Å; V430-T568 HydrophobicContact CG2-CG2 3.51Å
431T98.9Very high97.1Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-113.6134.4172-52.30000112.1L416 L417 D418 R541 E543L416-T431 HydrophobicContact CD1-CG2 4.43Å; L416-T431 HydrophobicContact CD2-CG2 3.94Å; L416-T431 HydrophobicContact CG-CG2 3.97Å; L417-T431 CarbonylContact O-C 3.53Å; L417-T431 VanDerWaalsContact O-CA 3.28Å; L417-T431 WeakPolarHBondContact O-CA 3.4Å; L417-T431 WeakPolarHBondContact O-CG2 3.21Å; D418-T431 HydrophobicContact CB-CG2 3.74Å; D418-T431 WeakPolarHBondContact CB-OG1 3.33Å; D418-T431 PolarHBondContact OD1-OG1 2.95Å; D418-T431 VanDerWaalsContact OD1-OG1 3.09Å; D418-T431 PolarHBondContact OD2-OG1 3.12Å; T431-R541 HydrophobicContact CG2-CB 3.7Å; T431-R541 HydrophobicContact CG2-CG 3.83Å; T431-R541 PolarHBondContact OG1-NE 2.89Å; T431-E543 PolarHBondContact N-OE2 3.36Å; T431-E543 PolarHBondContact O-N 2.9Å; T431-E543 VanDerWaalsContact O-N 3.17Å; T431-E543 PolarHBondContact OG1-OE2 3.23Å
432R98.9Very high97.1Very high5 Ų527.3 Ų27.32%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-128140163.8-68.9-66178.6-86.51.5111.1F346 L417 E543 N544 V570 P571 Y593F346-R432 HydrophobicContact CE1-CB 4.48Å; F346-R432 HydrophobicContact CE2-CB 4.11Å; F346-R432 HydrophobicContact CE2-CG 3.91Å; F346-R432 HydrophobicContact CZ-CB 3.68Å; F346-R432 HydrophobicContact CZ-CG 4Å; L417-R432 PolarHBondContact N-O 2.85Å; L417-R432 PolarHBondContact O-N 2.84Å; R432-E543 PolarHBondContact NH1-O 2.98Å; R432-N544 PolarHBondContact NH1-OD1 3.37Å; R432-N544 PolarHBondContact NH2-OD1 2.96Å; R432-V570 HydrophobicContact CG-CG1 4.02Å; R432-V570 PolarHBondContact NE-O 2.82Å; R432-V570 PolarHBondContact NH2-O 3.48Å; R432-P571 VanDerWaalsContact CD-O 3.29Å; R432-P571 WeakPolarHBondContact CD-O 3.5Å; R432-P571 PolarHBondContact NE-O 2.99Å; R432-Y593 PolarHBondContact NH2-OH 3.49Å
433T98.8Very high97Very high1 Ų128.4 Ų28.41%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-111.3132.7169.7-51.50000109L414 F415 Y447 I540 R541L414-T433 HydrophobicContact CB-CG2 4.37Å; L414-T433 HydrophobicContact CD2-CG2 4.04Å; F415-T433 CarbonylContact O-C 3.58Å; F415-T433 WeakPolarHBondContact O-CA 3.32Å; T433-Y447 WeakPolarHBondContact O-CE2 3.47Å; T433-I540 HydrophobicContact CG2-CB 4.4Å; T433-I540 HydrophobicContact CG2-CG1 4.08Å; T433-I540 HydrophobicContact CG2-CG2 4.37Å; T433-R541 PolarHBondContact OG1-N 2.82Å; T433-R541 PolarHBondContact OG1-O 2.58Å
434M97.4Very high97Very high8 Ų831.3 Ų31.34%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-132.9158.9-172.3-41.2-173.480.500111.5F346 L414 F415 F436F346-M434 HydrophobicContact CB-CE 4.13Å; F346-M434 HydrophobicContact CD1-CE 3.75Å; F346-M434 HydrophobicContact CD1-SD 3.16Å; F346-M434 WeakPolarHBondContact CD1-SD 3.42Å; F346-M434 HydrophobicContact CE1-CE 4.36Å; F346-M434 HydrophobicContact CE1-CG 4.4Å; F346-M434 HydrophobicContact CE1-SD 3.36Å; F346-M434 WeakPolarHBondContact CE1-SD 3.38Å; F346-M434 HydrophobicContact CG-CE 3.98Å; F346-M434 HydrophobicContact CG-SD 4Å; F346-M434 HydrophobicContact CZ-SD 4.32Å; L414-M434 WeakPolarHBondContact CA-O 3.5Å; F415-M434 PolarHBondContact N-O 3.26Å; F415-M434 PolarHBondContact O-N 3.16Å; M434-F436 HydrophobicContact CB-CZ 4.49Å; M434-F436 HydrophobicContact SD-CZ 4.4Å
435M95.6Very high97Very high2 Ų229 Ų291%0.0116%0.155CC..  trans-131.6152.7165.1-176.462.387.400108.7Q413 L414 G438 A439 Q573 K575 L576Q413-M435 VanDerWaalsContact O-SD 3.36Å; L414-M435 HydrophobicContact CD2-CB 4.13Å; L414-M435 HydrophobicContact CD2-CE 3.94Å; L414-M435 HydrophobicContact CG-CE 3.84Å; M435-G438 VanDerWaalsContact CE-O 3.28Å; M435-G438 WeakPolarHBondContact CE-O 3.48Å; M435-G438 VanDerWaalsContact CG-C 3.43Å; M435-G438 VanDerWaalsContact SD-O 3.36Å; M435-A439 HydrophobicContact CB-CB 4.41Å; M435-A439 HydrophobicContact CE-CB 3.67Å; M435-A439 HydrophobicContact CG-CB 4.02Å; M435-Q573 PolarHBondContact O-NE2 3.23Å; M435-Q573 PolarHBondContact O-OE1 3.49Å; M435-K575 WeakPolarHBondContact O-CE 3.5Å; M435-K575 PolarHBondContact O-NZ 2.76Å; M435-L576 HydrophobicContact CB-CD1 4.41Å; M435-L576 HydrophobicContact CB-CD2 3.77Å; M435-L576 HydrophobicContact CB-CG 4.32Å
436F95.1Very high97Very high8 Ų828.4 Ų28.44%0.03515%0.152CC..SBendtrans-106.5-58.6-179.6-59.1-77000112.2L349 E350 M353 L354 A411 F415 M434 K575L349-F436 HydrophobicContact CD2-CE1 4.43Å; L349-F436 HydrophobicContact CD2-CZ 3.64Å; L349-F436 HydrophobicContact CG-CE1 4.13Å; L349-F436 HydrophobicContact CG-CZ 3.67Å; E350-F436 HydrophobicContact CB-CE1 4.35Å; M353-F436 HydrophobicContact CB-CB 4.21Å; M353-F436 HydrophobicContact CB-CD1 3.84Å; M353-F436 HydrophobicContact CB-CD2 4.09Å; M353-F436 HydrophobicContact CB-CE1 4.26Å; M353-F436 HydrophobicContact CB-CE2 4.48Å; M353-F436 HydrophobicContact CB-CG 3.75Å; M353-F436 HydrophobicContact CE-CD2 4.29Å; M353-F436 HydrophobicContact CG-CD1 4.11Å; M353-F436 HydrophobicContact CG-CD2 3.87Å; M353-F436 HydrophobicContact CG-CE1 4.07Å; M353-F436 HydrophobicContact CG-CE2 3.82Å; M353-F436 HydrophobicContact CG-CG 4.02Å; M353-F436 HydrophobicContact CG-CZ 3.94Å; L354-F436 HydrophobicContact CD2-CB 3.87Å; L354-F436 HydrophobicContact CG-CB 4.34Å; A411-F436 HydrophobicContact CB-CB 3.97Å; A411-F436 PolarHBondContact O-N 3.33Å; F415-F436 HydrophobicContact CB-CE2 4.11Å; M434-F436 HydrophobicContact CB-CZ 4.49Å; M434-F436 HydrophobicContact SD-CZ 4.4Å; F436-K575 PolarHBondContact O-NZ 2.78Å
437E91.9Very high97Very high90 Ų9028.4 Ų28.442%0.42115%0.152SC..SBendtrans-93.3-42.5-177-77.2-173.2163.800113.7L354 R357 A411 N412L354-E437 HydrophobicContact CD2-CG 4.05Å; R357-E437 IonicContact CZ-OE1 3.96Å; R357-E437 IonicContact NH1-OE1 3.96Å; R357-E437 IonicContact NH2-OE1 3.07Å; R357-E437 PolarHBondContact NH2-OE1 3.13Å; A411-E437 HydrophobicContact CB-CB 4.38Å; A411-E437 HydrophobicContact CB-CG 3.86Å; A411-E437 PolarHBondContact O-N 3.14Å; N412-E437 PolarHBondContact ND2-OE2 3.3Å; N412-E437 WeakPolarHBondContact OD1-CB 3.46Å; N412-E437 PolarHBondContact OD1-OE2 3.44Å
438G87.9Confident97Very high39 Ų3928.4 Ų28.440%0.40215%0.152SC..  trans177.9142177.900000114.6M435M435-G438 VanDerWaalsContact CE-O 3.28Å; M435-G438 WeakPolarHBondContact CE-O 3.48Å; M435-G438 VanDerWaalsContact CG-C 3.43Å; M435-G438 VanDerWaalsContact SD-O 3.36Å
439A94.6Very high97Very high18 Ų1830 Ų3015%0.14916%0.158CC..  trans-110.8145.9176.500000111.2M435 E443 K444 L576M435-A439 HydrophobicContact CB-CB 4.41Å; M435-A439 HydrophobicContact CE-CB 3.67Å; M435-A439 HydrophobicContact CG-CB 4.02Å; A439-E443 HydrophobicContact CB-CB 4.18Å; A439-K444 HydrophobicContact CB-CG 3.93Å; A439-K444 WeakPolarHBondContact O-CE 3.12Å; A439-L576 HydrophobicContact CB-CD2 3.52Å
440S96.4Very high97Very high58 Ų5829.8 Ų29.841%0.40616%0.157SC..  trans-61.2158.6171.367.60000111.4F442 E443 K444S440-F442 PolarHBondContact O-N 2.94Å; S440-E443 VanDerWaalsContact CB-OE2 3.32Å; S440-E443 WeakPolarHBondContact CB-OE2 3.28Å; S440-E443 PolarHBondContact N-OE2 2.99Å; S440-E443 PolarHBondContact O-N 3.01Å; S440-E443 WeakPolarHBondContact OG-CB 3.42Å; S440-E443 VanDerWaalsContact OG-CD 3.28Å; S440-E443 VanDerWaalsContact OG-CG 3.22Å; S440-E443 WeakPolarHBondContact OG-CG 3.48Å; S440-E443 PolarHBondContact OG-N 3.28Å; S440-E443 PolarHBondContact OG-OE2 3.5Å; S440-K444 WeakPolarHBondContact O-CG 3.48Å; S440-K444 PolarHBondContact O-N 3.4Å; S440-K444 VanDerWaalsContact O-N 3.09Å
441E96.9Very high97Very high158 Ų15829.7 Ų29.774%0.73816%0.156SC*.Hα-helixtrans-59.5-38.5176.6-171.2175.1-174.300111.8K444 D445E441-K444 PolarHBondContact O-N 3.42Å; E441-D445 WeakPolarHBondContact O-CB 3.49Å; E441-D445 PolarHBondContact O-N 3.29Å
442F97.5Very high97Very high85 Ų8530.6 Ų30.637%0.37316%0.16SC..Hα-helixtrans-66.4-42.4178-178.5-116.1000112.9S440 K444 D445 C446 F532 F538S440-F442 PolarHBondContact O-N 2.94Å; F442-K444 VanDerWaalsContact C-N 3.33Å; F442-K444 PolarHBondContact O-N 3.36Å; F442-D445 PolarHBondContact O-N 3.32Å; F442-C446 VanDerWaalsContact CE2-SG 3.6Å; F442-C446 VanDerWaalsContact CZ-SG 3.55Å; F442-C446 WeakPolarHBondContact O-CB 3.17Å; F442-C446 PolarHBondContact O-N 3.27Å; F442-C446 PolarHBondContact O-SG 2.9Å; F442-F532 HydrophobicContact CE1-CE1 4.46Å; F442-F532 HydrophobicContact CZ-CE1 4.21Å; F442-F532 HydrophobicContact CZ-CZ 4.43Å; F442-F538 AromaticContact CD1-CE1 3.96Å; F442-F538 HydrophobicContact CD1-CE1 3.96Å; F442-F538 AromaticContact CD1-CZ 3.87Å; F442-F538 HydrophobicContact CD1-CZ 3.87Å; F442-F538 AromaticContact CE1-CE1 3.97Å; F442-F538 HydrophobicContact CE1-CE1 3.97Å; F442-F538 AromaticContact CE1-CZ 3.71Å; F442-F538 HydrophobicContact CE1-CZ 3.71Å
443E98.1Very high97Very high28 Ų2830.4 Ų30.413%0.13116%0.159CC..Hα-helixtrans-61-42.9174.2-75163.7135.600111.3L414 A439 S440 C446 Y447 F538L414-E443 HydrophobicContact CD1-CB 4.07Å; L414-E443 HydrophobicContact CD1-CG 3.84Å; L414-E443 HydrophobicContact CG-CG 4.5Å; A439-E443 HydrophobicContact CB-CB 4.18Å; S440-E443 VanDerWaalsContact CB-OE2 3.32Å; S440-E443 WeakPolarHBondContact CB-OE2 3.28Å; S440-E443 PolarHBondContact N-OE2 2.99Å; S440-E443 PolarHBondContact O-N 3.01Å; S440-E443 WeakPolarHBondContact OG-CB 3.42Å; S440-E443 VanDerWaalsContact OG-CD 3.28Å; S440-E443 VanDerWaalsContact OG-CG 3.22Å; S440-E443 WeakPolarHBondContact OG-CG 3.48Å; S440-E443 PolarHBondContact OG-N 3.28Å; S440-E443 PolarHBondContact OG-OE2 3.5Å; E443-C446 PolarHBondContact O-N 2.9Å; E443-Y447 WeakPolarHBondContact O-CB 3.5Å; E443-Y447 PolarHBondContact O-N 3.16Å; E443-F538 HydrophobicContact CG-CD1 3.84Å; E443-F538 HydrophobicContact CG-CD2 4.4Å; E443-F538 HydrophobicContact CG-CE1 3.7Å; E443-F538 HydrophobicContact CG-CE2 4.28Å; E443-F538 HydrophobicContact CG-CG 4.2Å; E443-F538 HydrophobicContact CG-CZ 3.93Å
444K98.4Very high97Very high60 Ų6030.3 Ų30.326%0.26116%0.159SC..Hα-helixtrans-67.1-39.3177.2-66.7-174.9179.9-170.40112.7A439 S440 E441 F442 Y447 T448 K575 L576 L578A439-K444 HydrophobicContact CB-CG 3.93Å; A439-K444 WeakPolarHBondContact O-CE 3.12Å; S440-K444 WeakPolarHBondContact O-CG 3.48Å; S440-K444 PolarHBondContact O-N 3.4Å; S440-K444 VanDerWaalsContact O-N 3.09Å; E441-K444 PolarHBondContact O-N 3.42Å; F442-K444 VanDerWaalsContact C-N 3.33Å; F442-K444 PolarHBondContact O-N 3.36Å; K444-Y447 PolarHBondContact O-N 3.31Å; K444-T448 VanDerWaalsContact O-CB 3.3Å; K444-T448 WeakPolarHBondContact O-CB 3.46Å; K444-T448 PolarHBondContact O-N 3.21Å; K444-T448 PolarHBondContact O-OG1 2.77Å; K444-K575 WeakPolarHBondContact CE-O 3.42Å; K444-K575 PolarHBondContact NZ-O 3.32Å; K444-L576 HydrophobicContact CG-CD2 4.36Å; K444-L578 HydrophobicContact CB-CD1 4.09Å; K444-L578 HydrophobicContact CB-CD2 3.9Å; K444-L578 HydrophobicContact CB-CG 3.8Å; K444-L578 HydrophobicContact CD-CD2 4.01Å
445D98.5Very high97.1Very high31 Ų3130.1 Ų30.117%0.16616%0.158CC..Hα-helixtrans-60.7-49.7174.2179.580.5000110.7E441 F442 Y447 T448 R449 L578 L581E441-D445 WeakPolarHBondContact O-CB 3.49Å; E441-D445 PolarHBondContact O-N 3.29Å; F442-D445 PolarHBondContact O-N 3.32Å; D445-Y447 PolarHBondContact O-N 2.66Å; D445-T448 PolarHBondContact O-N 2.64Å; D445-R449 VanDerWaalsContact CG-NE 3.32Å; D445-R449 WeakPolarHBondContact O-CG 3.43Å; D445-R449 PolarHBondContact O-N 2.78Å; D445-R449 IonicContact OD1-CZ 3.34Å; D445-R449 IonicContact OD1-NE 3.22Å; D445-R449 PolarHBondContact OD1-NE 3.32Å; D445-R449 IonicContact OD1-NH2 2.75Å; D445-R449 PolarHBondContact OD1-NH2 2.9Å; D445-R449 IonicContact OD2-CZ 3.6Å; D445-R449 IonicContact OD2-NE 2.77Å; D445-R449 PolarHBondContact OD2-NE 3.44Å; D445-R449 IonicContact OD2-NH2 3.53Å; D445-L578 HydrophobicContact CB-CD1 4.13Å; D445-L581 WeakPolarHBondContact OD1-CD1 3.45Å
446C98.6Very high97.2Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-59.6-47.1176-65.70000111.8F442 E443 T448 R449 V450 F532 F538 I540F442-C446 VanDerWaalsContact CE2-SG 3.6Å; F442-C446 VanDerWaalsContact CZ-SG 3.55Å; F442-C446 WeakPolarHBondContact O-CB 3.17Å; F442-C446 PolarHBondContact O-N 3.27Å; F442-C446 PolarHBondContact O-SG 2.9Å; E443-C446 PolarHBondContact O-N 2.9Å; C446-T448 VanDerWaalsContact C-N 3.32Å; C446-T448 PolarHBondContact O-N 3.16Å; C446-R449 PolarHBondContact O-N 3.4Å; C446-V450 WeakPolarHBondContact O-CG2 3.48Å; C446-V450 PolarHBondContact O-N 3.16Å; C446-F532 HydrophobicContact CB-CD1 3.72Å; C446-F532 HydrophobicContact CB-CE1 4.23Å; C446-F532 WeakPolarHBondContact SG-CE1 3.46Å; C446-F538 HydrophobicContact CB-CE2 4.36Å; C446-I540 HydrophobicContact CB-CD1 3.75Å
447Y98.8Very high97.4Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-58.2-45.5178-174.5-86.8000111.8T433 E443 K444 D445 R449 V450 L451 I540 I542 I572 Q573 L576 I577T433-Y447 WeakPolarHBondContact O-CE2 3.47Å; E443-Y447 WeakPolarHBondContact O-CB 3.5Å; E443-Y447 PolarHBondContact O-N 3.16Å; K444-Y447 PolarHBondContact O-N 3.31Å; D445-Y447 PolarHBondContact O-N 2.66Å; Y447-R449 VanDerWaalsContact C-N 3.33Å; Y447-R449 PolarHBondContact O-N 3.03Å; Y447-V450 PolarHBondContact O-N 2.79Å; Y447-L451 WeakPolarHBondContact O-CB 3.42Å; Y447-L451 PolarHBondContact O-N 2.89Å; Y447-I540 HydrophobicContact CD2-CG2 3.72Å; Y447-I540 HydrophobicContact CE2-CG2 4.41Å; Y447-I540 HydrophobicContact CG-CG2 4.45Å; Y447-I542 HydrophobicContact CD1-CD1 4.46Å; Y447-I542 HydrophobicContact CD2-CD1 4.41Å; Y447-I542 HydrophobicContact CE1-CD1 3.99Å; Y447-I542 HydrophobicContact CE2-CD1 3.95Å; Y447-I542 HydrophobicContact CE2-CG1 4.28Å; Y447-I572 HydrophobicContact CE1-CG2 4.29Å; Y447-I572 VanDerWaalsContact OH-CG2 3.26Å; Y447-I572 WeakPolarHBondContact OH-CG2 3.3Å; Y447-Q573 PolarHBondContact OH-N 3.07Å; Y447-L576 HydrophobicContact CD1-CB 3.51Å; Y447-L576 HydrophobicContact CD2-CB 4.04Å; Y447-L576 HydrophobicContact CD2-CD1 3.66Å; Y447-L576 HydrophobicContact CD2-CG 4.45Å; Y447-L576 HydrophobicContact CE1-CB 3.67Å; Y447-L576 HydrophobicContact CE1-CD1 4.49Å; Y447-L576 HydrophobicContact CE2-CB 4.16Å; Y447-L576 HydrophobicContact CE2-CD1 3.51Å; Y447-L576 HydrophobicContact CE2-CG 4.49Å; Y447-L576 HydrophobicContact CG-CB 3.7Å; Y447-L576 HydrophobicContact CG-CD1 4.2Å; Y447-I577 HydrophobicContact CD1-CG1 4.35Å; Y447-I577 HydrophobicContact CE1-CG1 3.96Å
448T98.8Very high97.7Very high0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-65.6-37.8-179.7-54.60000111.1K444 D445 C446 L451 K452 I577 L578 L581 L582K444-T448 VanDerWaalsContact O-CB 3.3Å; K444-T448 WeakPolarHBondContact O-CB 3.46Å; K444-T448 PolarHBondContact O-N 3.21Å; K444-T448 PolarHBondContact O-OG1 2.77Å; D445-T448 PolarHBondContact O-N 2.64Å; C446-T448 VanDerWaalsContact C-N 3.32Å; C446-T448 PolarHBondContact O-N 3.16Å; T448-L451 PolarHBondContact O-N 3.16Å; T448-K452 HydrophobicContact CG2-CD 4.38Å; T448-K452 WeakPolarHBondContact O-CG 3.4Å; T448-K452 PolarHBondContact O-N 2.9Å; T448-I577 HydrophobicContact CG2-CG2 4.44Å; T448-L578 HydrophobicContact CG2-CB 4.38Å; T448-L578 PolarHBondContact OG1-N 3.19Å; T448-L581 HydrophobicContact CG2-CB 3.88Å; T448-L581 HydrophobicContact CG2-CD1 4.15Å; T448-L582 HydrophobicContact CG2-CD2 3.78Å; T448-L582 HydrophobicContact CG2-CG 4.32Å
449R98.7Very high98.1Very high32 Ų3227.8 Ų27.812%0.12115%0.148CC..Hα-helixtrans-67.9-41.5176-70174.2-166.8-61.9-7112.8D445 C446 Y447 L451 K452 G453 F478 L479 N482D445-R449 VanDerWaalsContact CG-NE 3.32Å; D445-R449 WeakPolarHBondContact O-CG 3.43Å; D445-R449 PolarHBondContact O-N 2.78Å; D445-R449 IonicContact OD1-CZ 3.34Å; D445-R449 IonicContact OD1-NE 3.22Å; D445-R449 PolarHBondContact OD1-NE 3.32Å; D445-R449 IonicContact OD1-NH2 2.75Å; D445-R449 PolarHBondContact OD1-NH2 2.9Å; D445-R449 IonicContact OD2-CZ 3.6Å; D445-R449 IonicContact OD2-NE 2.77Å; D445-R449 PolarHBondContact OD2-NE 3.44Å; D445-R449 IonicContact OD2-NH2 3.53Å; C446-R449 PolarHBondContact O-N 3.4Å; Y447-R449 VanDerWaalsContact C-N 3.33Å; Y447-R449 PolarHBondContact O-N 3.03Å; R449-L451 VanDerWaalsContact C-N 3.32Å; R449-K452 PolarHBondContact O-N 2.83Å; R449-G453 PolarHBondContact O-N 3.23Å; R449-F478 HydrophobicContact CB-CB 4.3Å; R449-F478 WeakPolarHBondContact CD-O 3.44Å; R449-F478 HydrophobicContact CG-CB 4.49Å; R449-L479 HydrophobicContact CB-CD2 3.83Å; R449-L479 HydrophobicContact CB-CG 4.33Å; R449-N482 VanDerWaalsContact CZ-CG 3.43Å; R449-N482 PolarHBondContact NE-ND2 3.37Å; R449-N482 PolarHBondContact NH1-ND2 3.44Å; R449-N482 PolarHBondContact NH2-OD1 3.43Å
450V98.9Very high98.2Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-58.5-47.1171.9170.90000110.1C446 Y447 K452 G453 H454 L479 P530 F532 I540 I542C446-V450 WeakPolarHBondContact O-CG2 3.48Å; C446-V450 PolarHBondContact O-N 3.16Å; Y447-V450 PolarHBondContact O-N 2.79Å; V450-K452 PolarHBondContact O-N 2.94Å; V450-G453 PolarHBondContact O-N 3.46Å; V450-H454 PolarHBondContact O-N 3.28Å; V450-L479 HydrophobicContact CG2-CD1 4.28Å; V450-L479 HydrophobicContact CG2-CD2 4.42Å; V450-P530 HydrophobicContact CG1-CB 4.3Å; V450-P530 HydrophobicContact CG1-CG 4.19Å; V450-P530 WeakPolarHBondContact CG1-O 3.1Å; V450-F532 HydrophobicContact CG2-CB 3.86Å; V450-I540 HydrophobicContact CB-CG2 4.22Å; V450-I540 HydrophobicContact CG1-CG2 4.2Å; V450-I540 HydrophobicContact CG2-CG2 4.17Å; V450-I542 HydrophobicContact CG1-CB 4.26Å; V450-I542 HydrophobicContact CG1-CD1 4.13Å; V450-I542 HydrophobicContact CG1-CG1 4.02Å
451L98.9Very high98.2Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-61.3-43.1177.2-179.957.7000112.4Y447 T448 R449 G453 H454 I455 I542 I572 I577 I590Y447-L451 WeakPolarHBondContact O-CB 3.42Å; Y447-L451 PolarHBondContact O-N 2.89Å; T448-L451 PolarHBondContact O-N 3.16Å; R449-L451 VanDerWaalsContact C-N 3.32Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.43Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 2.73Å; L451-I455 HydrophobicContact CD1-CD1 3.91Å; L451-I455 HydrophobicContact CD1-CG1 4.06Å; L451-I455 HydrophobicContact CG-CD1 3.81Å; L451-I455 HydrophobicContact CG-CG1 4.38Å; L451-I455 VanDerWaalsContact O-CG1 3.25Å; L451-I455 WeakPolarHBondContact O-CG1 3.25Å; L451-I455 PolarHBondContact O-N 3.39Å; L451-I542 HydrophobicContact CB-CD1 3.75Å; L451-I542 HydrophobicContact CD1-CD1 4.1Å; L451-I542 HydrophobicContact CG-CD1 4.46Å; L451-I572 HydrophobicContact CD1-CD1 3.94Å; L451-I572 HydrophobicContact CD1-CG2 4.07Å; L451-I572 HydrophobicContact CD2-CG2 4.24Å; L451-I577 HydrophobicContact CD2-CD1 3.48Å; L451-I577 VanDerWaalsContact CD2-CD1 3.48Å; L451-I577 HydrophobicContact CD2-CG1 3.75Å; L451-I577 HydrophobicContact CD2-CG2 4.45Å; L451-I590 HydrophobicContact CD2-CD1 3.88Å
452K98.8Very high98.1Very high20 Ų2023 Ų239%0.08712%0.119CC..Hα-helixtrans-60.2-41.4175.1-70.7171.268.368.20111.6T448 R449 V450 I455 A456 F478 L581 L582 E586T448-K452 HydrophobicContact CG2-CD 4.38Å; T448-K452 WeakPolarHBondContact O-CG 3.4Å; T448-K452 PolarHBondContact O-N 2.9Å; R449-K452 PolarHBondContact O-N 2.83Å; V450-K452 PolarHBondContact O-N 2.94Å; K452-I455 PolarHBondContact O-N 3.09Å; K452-A456 VanDerWaalsContact O-CB 3.27Å; K452-A456 WeakPolarHBondContact O-CB 3.17Å; K452-A456 PolarHBondContact O-N 3.43Å; K452-F478 HydrophobicContact CB-CB 4.26Å; K452-F478 HydrophobicContact CB-CD1 4.24Å; K452-F478 HydrophobicContact CB-CD2 3.49Å; K452-F478 VanDerWaalsContact CB-CD2 3.49Å; K452-F478 HydrophobicContact CB-CE1 4.46Å; K452-F478 HydrophobicContact CB-CE2 3.76Å; K452-F478 HydrophobicContact CB-CG 3.73Å; K452-F478 HydrophobicContact CB-CZ 4.22Å; K452-F478 HydrophobicContact CD-CD1 4.31Å; K452-F478 HydrophobicContact CD-CG 4.42Å; K452-F478 VanDerWaalsContact CE-CE1 3.42Å; K452-F478 WeakPolarHBondContact O-CE2 3.27Å; K452-L581 WeakPolarHBondContact CE-O 3.4Å; K452-L581 PolarHBondContact NZ-O 3.14Å; K452-L582 HydrophobicContact CD-CD2 4.02Å; K452-L582 HydrophobicContact CG-CD2 3.52Å; K452-E586 WeakPolarHBondContact CG-OE1 3.49Å; K452-E586 IonicContact NZ-OE1 3.68Å; K452-E586 PolarHBondContact NZ-OE1 2.98Å; K452-E586 IonicContact NZ-OE2 3.91Å; K452-E586 PolarHBondContact NZ-OE2 2.95Å
453G98.7Very high97.9Very high0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-59.2-47.7173.500000112.4R449 V450 L451 I455 A456 L457 A475R449-G453 PolarHBondContact O-N 3.23Å; V450-G453 PolarHBondContact O-N 3.46Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.43Å; G453-I455 PolarHBondContact O-N 2.79Å; G453-A456 PolarHBondContact O-N 2.92Å; G453-L457 PolarHBondContact O-N 2.96Å; G453-A475 VanDerWaalsContact CA-O 3.25Å; G453-A475 WeakPolarHBondContact CA-O 3.5Å; G453-A475 WeakPolarHBondContact O-CA 3.43Å
454H98.9Very high97.6Very high0 Ų021.8 Ų21.80%012%0.12CC..Hα-helixtrans-57.9-50.7177-178.9103.2000111.1V450 L451 A456 L457 A458 I528 P530 I542 Y546 W589V450-H454 PolarHBondContact O-N 3.28Å; L451-H454 WeakPolarHBondContact O-CB 3.48Å; L451-H454 PolarHBondContact O-N 2.73Å; H454-A456 PolarHBondContact O-N 3.16Å; H454-L457 PolarHBondContact O-N 3.22Å; H454-A458 VanDerWaalsContact O-CB 3.24Å; H454-A458 WeakPolarHBondContact O-CB 3.42Å; H454-A458 PolarHBondContact O-N 3.37Å; H454-I528 PolarHBondContact CE1-O 2.78Å; H454-I528 VanDerWaalsContact CE1-O 3.27Å; H454-I528 PolarHBondContact ND1-O 3.11Å; H454-I528 VanDerWaalsContact ND1-O 3.1Å; H454-P530 HydrophobicContact CB-CG 3.68Å; H454-I542 PolarHBondContact ND1-O 3.37Å; H454-Y546 AromaticContact NE2-CZ 3.89Å; H454-Y546 PolarHBondContact NE2-OH 3.44Å; H454-W589 AromaticContact CD2-CH2 3.85Å; H454-W589 AromaticContact NE2-CH2 3.83Å
455I98.9Very high97.3Very high3 Ų324.9 Ų24.92%0.01513%0.134CC..Hα-helixtrans-62.9-42.8179.8-64.7169.5000111.4L451 K452 G453 L457 A458 S459 E586 W589 I590L451-I455 HydrophobicContact CD1-CD1 3.91Å; L451-I455 HydrophobicContact CD1-CG1 4.06Å; L451-I455 HydrophobicContact CG-CD1 3.81Å; L451-I455 HydrophobicContact CG-CG1 4.38Å; L451-I455 VanDerWaalsContact O-CG1 3.25Å; L451-I455 WeakPolarHBondContact O-CG1 3.25Å; L451-I455 PolarHBondContact O-N 3.39Å; K452-I455 PolarHBondContact O-N 3.09Å; G453-I455 PolarHBondContact O-N 2.79Å; I455-L457 VanDerWaalsContact C-N 3.26Å; I455-L457 PolarHBondContact O-N 3.34Å; I455-A458 PolarHBondContact O-N 3.37Å; I455-S459 VanDerWaalsContact O-CB 3.26Å; I455-S459 WeakPolarHBondContact O-CB 3.26Å; I455-S459 PolarHBondContact O-N 2.84Å; I455-S459 PolarHBondContact O-OG 3.05Å; I455-E586 HydrophobicContact CD1-CB 4.15Å; I455-E586 HydrophobicContact CD1-CG 4.49Å; I455-E586 HydrophobicContact CG2-CB 4.38Å; I455-E586 HydrophobicContact CG2-CG 3.96Å; I455-W589 HydrophobicContact CB-CD2 4.49Å; I455-W589 HydrophobicContact CB-CE3 4.49Å; I455-W589 HydrophobicContact CD1-CE3 3.98Å; I455-W589 HydrophobicContact CD1-CZ3 4.44Å; I455-W589 HydrophobicContact CG1-CD2 4.02Å; I455-W589 HydrophobicContact CG1-CE3 3.56Å; I455-W589 HydrophobicContact CG1-CH2 4.45Å; I455-W589 HydrophobicContact CG1-CZ3 3.8Å; I455-W589 HydrophobicContact CG2-CB 3.98Å; I455-W589 HydrophobicContact CG2-CD2 4.01Å; I455-W589 HydrophobicContact CG2-CE3 4.37Å; I455-W589 HydrophobicContact CG2-CG 3.83Å; I455-I590 HydrophobicContact CD1-CD1 3.79Å; I455-I590 HydrophobicContact CD1-CG1 3.66Å
456A98.6Very high97Very high21 Ų2123.6 Ų23.617%0.17413%0.127CC..Hα-helixtrans-61.9-35.3-177.500000112.6K452 G453 H454 F478K452-A456 VanDerWaalsContact O-CB 3.27Å; K452-A456 WeakPolarHBondContact O-CB 3.17Å; K452-A456 PolarHBondContact O-N 3.43Å; G453-A456 PolarHBondContact O-N 2.92Å; H454-A456 PolarHBondContact O-N 3.16Å; A456-F478 HydrophobicContact CB-CE2 3.75Å; A456-F478 HydrophobicContact CB-CZ 4.43Å
457L98.3Very high96.7Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-79.1-46.6172.6-175.755000111.8G453 H454 I455 S459 L460 L471 A475 T490 F507 I528 F564G453-L457 PolarHBondContact O-N 2.96Å; H454-L457 PolarHBondContact O-N 3.22Å; I455-L457 VanDerWaalsContact C-N 3.26Å; I455-L457 PolarHBondContact O-N 3.34Å; L457-S459 PolarHBondContact O-N 2.74Å; L457-L460 HydrophobicContact CD1-CD2 4.37Å; L457-L460 VanDerWaalsContact O-CB 3.24Å; L457-L460 WeakPolarHBondContact O-CB 3.11Å; L457-L460 PolarHBondContact O-N 2.8Å; L457-L460 VanDerWaalsContact O-N 3.12Å; L457-L471 HydrophobicContact CD1-CB 3.83Å; L457-A475 HydrophobicContact CB-CB 4.49Å; L457-T490 HydrophobicContact CD2-CG2 3.53Å; L457-F507 HydrophobicContact CD1-CE1 4.33Å; L457-F507 HydrophobicContact CD2-CD1 4.08Å; L457-F507 HydrophobicContact CD2-CD2 4.21Å; L457-F507 HydrophobicContact CD2-CE1 4.14Å; L457-F507 HydrophobicContact CD2-CE2 4.28Å; L457-F507 HydrophobicContact CD2-CG 4.11Å; L457-F507 HydrophobicContact CD2-CZ 4.25Å; L457-I528 HydrophobicContact CB-CD1 4.22Å; L457-I528 HydrophobicContact CB-CG2 4.26Å; L457-I528 HydrophobicContact CD2-CD1 4.13Å; L457-I528 HydrophobicContact CD2-CG1 3.94Å; L457-I528 HydrophobicContact CD2-CG2 4.06Å; L457-I528 HydrophobicContact CG-CD1 3.76Å; L457-I528 HydrophobicContact CG-CG1 4.15Å; L457-I528 HydrophobicContact CG-CG2 4.42Å; L457-F564 HydrophobicContact CD1-CE2 4.19Å; L457-F564 HydrophobicContact CG-CE2 4.42Å; L457-F564 WeakPolarHBondContact O-CD2 3.49Å; L457-F564 WeakPolarHBondContact O-CE2 3.2Å
458A98.5Very high96.3Very high5 Ų525.3 Ų25.34%0.04114%0.14CC..Hα-helixtrans-65-24.6-176.600000114H454 I455 I528 Y546 W589H454-A458 VanDerWaalsContact O-CB 3.24Å; H454-A458 WeakPolarHBondContact O-CB 3.42Å; H454-A458 PolarHBondContact O-N 3.37Å; I455-A458 PolarHBondContact O-N 3.37Å; A458-I528 HydrophobicContact CB-CD1 3.86Å; A458-Y546 HydrophobicContact CB-CE1 3.98Å; A458-Y546 HydrophobicContact CB-CE2 4.28Å; A458-W589 HydrophobicContact CB-CZ2 3.68Å
459S97.7Very high95.9Very high65 Ų6526.9 Ų26.946%0.45515%0.149SC..THydrogen-bonded Turntrans-94.10.4177.6640000114.1I455 L457I455-S459 VanDerWaalsContact O-CB 3.26Å; I455-S459 WeakPolarHBondContact O-CB 3.26Å; I455-S459 PolarHBondContact O-N 2.84Å; I455-S459 PolarHBondContact O-OG 3.05Å; L457-S459 PolarHBondContact O-N 2.74Å
460L96.2Very high95.6Very high31 Ų3133.5 Ų33.516%0.16217%0.174CC..  trans-70.3141.3-173.6-165.568.8000112.1L457 F462 L471 F474L457-L460 HydrophobicContact CD1-CD2 4.37Å; L457-L460 VanDerWaalsContact O-CB 3.24Å; L457-L460 WeakPolarHBondContact O-CB 3.11Å; L457-L460 PolarHBondContact O-N 2.8Å; L457-L460 VanDerWaalsContact O-N 3.12Å; L460-F462 HydrophobicContact CB-CD1 4.27Å; L460-F462 HydrophobicContact CD2-CB 4.03Å; L460-F462 HydrophobicContact CD2-CD1 4.08Å; L460-F462 HydrophobicContact CD2-CG 4.37Å; L460-F462 HydrophobicContact CG-CB 4.29Å; L460-F462 HydrophobicContact CG-CD1 4.16Å; L460-L471 HydrophobicContact CD2-CD2 3.62Å; L460-F474 HydrophobicContact CD1-CD1 4.28Å; L460-F474 HydrophobicContact CD1-CE1 3.91Å; L460-F474 HydrophobicContact CD1-CZ 4.16Å; L460-F474 HydrophobicContact CD2-CD2 4.28Å; L460-F474 HydrophobicContact CD2-CE2 4.16Å; L460-F474 HydrophobicContact CD2-CZ 4.36Å
461I95.2Very high95.4Very high97 Ų9733.7 Ų33.750%0.49718%0.175SC..  trans-107.3122162-60.2175.9000107.5A551 R561 L562I461-A551 HydrophobicContact CG2-CB 4.05Å; I461-R561 HydrophobicContact CG2-CB 3.77Å; I461-R561 HydrophobicContact CG2-CG 4.29Å; I461-L562 VanDerWaalsContact CA-O 3.32Å; I461-L562 WeakPolarHBondContact CA-O 3.43Å
462F94.8Very high95.1Very high4 Ų434 Ų342%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-136160.9-171.656.9-84.3000112.3L460 C466 L471 I520 V548 R561 L562 F564L460-F462 HydrophobicContact CB-CD1 4.27Å; L460-F462 HydrophobicContact CD2-CB 4.03Å; L460-F462 HydrophobicContact CD2-CD1 4.08Å; L460-F462 HydrophobicContact CD2-CG 4.37Å; L460-F462 HydrophobicContact CG-CB 4.29Å; L460-F462 HydrophobicContact CG-CD1 4.16Å; F462-C466 HydrophobicContact CD2-CB 3.97Å; F462-L471 HydrophobicContact CB-CD2 4.35Å; F462-L471 HydrophobicContact CD1-CD1 4.37Å; F462-L471 HydrophobicContact CD2-CD1 3.86Å; F462-L471 HydrophobicContact CE2-CD1 3.98Å; F462-L471 HydrophobicContact CG-CD1 4.06Å; F462-L471 HydrophobicContact CZ-CD1 4.32Å; F462-I520 HydrophobicContact CE2-CB 4.28Å; F462-I520 HydrophobicContact CE2-CG2 3.9Å; F462-I520 HydrophobicContact CZ-CG2 4.18Å; F462-V548 HydrophobicContact CZ-CG1 4.39Å; F462-R561 CarbonylContact O-C 3.55Å; F462-R561 WeakPolarHBondContact O-CA 3.39Å; F462-L562 HydrophobicContact CD2-CB 4.03Å; F462-L562 HydrophobicContact CD2-CD1 4.45Å; F462-L562 HydrophobicContact CE1-CB 4.15Å; F462-L562 HydrophobicContact CE2-CB 3.61Å; F462-L562 HydrophobicContact CE2-CD1 3.79Å; F462-L562 HydrophobicContact CE2-CG 4.25Å; F462-L562 HydrophobicContact CG-CB 4.49Å; F462-L562 HydrophobicContact CZ-CB 3.67Å; F462-L562 HydrophobicContact CZ-CD1 4.4Å; F462-L562 PolarHBondContact N-O 2.87Å; F462-L562 PolarHBondContact O-N 3.49Å; F462-F564 HydrophobicContact CD1-CE2 4.21Å; F462-F564 AromaticContact CE1-CD2 3.94Å; F462-F564 HydrophobicContact CE1-CD2 3.94Å; F462-F564 HydrophobicContact CE1-CE1 4.29Å; F462-F564 AromaticContact CE1-CE2 3.32Å; F462-F564 HydrophobicContact CE1-CE2 3.32Å; F462-F564 AromaticContact CE1-CZ 3.52Å; F462-F564 HydrophobicContact CE1-CZ 3.52Å; F462-F564 HydrophobicContact CZ-CE1 4.1Å; F462-F564 AromaticContact CZ-CE2 3.9Å; F462-F564 HydrophobicContact CZ-CE2 3.9Å; F462-F564 AromaticContact CZ-CZ 3.56Å; F462-F564 HydrophobicContact CZ-CZ 3.56Å
463P92.9Very high95Very high50 Ų5035.6 Ų35.633%0.32519%0.191SC..EExtended strand (participates in β ladder)trans-64.4146.7177-8.419.5000112.5C466P463-C466 VanDerWaalsContact O-CB 3.32Å; P463-C466 WeakPolarHBondContact O-CB 3.36Å; P463-C466 PolarHBondContact O-N 2.93Å
464D92.5Very high94.9Very high39 Ų3939.8 Ų39.821%0.20921%0.209CC..THydrogen-bonded Turntrans-54147.5164.5-177.844.6000111C466 R521 P522 V560 L562D464-C466 PolarHBondContact O-N 3.26Å; D464-R521 WeakPolarHBondContact OD1-CD 3.27Å; D464-R521 IonicContact OD1-NE 2.73Å; D464-R521 PolarHBondContact OD1-NE 2.93Å; D464-R521 VanDerWaalsContact OD1-NE 3.14Å; D464-R521 IonicContact OD2-NE 2.59Å; D464-R521 PolarHBondContact OD2-NE 3.3Å; D464-P522 WeakPolarHBondContact OD1-CD 3.33Å; D464-V560 HydrophobicContact CB-CB 4.18Å; D464-V560 HydrophobicContact CB-CG1 4.14Å; D464-V560 PolarHBondContact N-O 2.73Å; D464-L562 HydrophobicContact CB-CD1 4.33Å; D464-L562 HydrophobicContact CB-CD2 4.49Å; D464-L562 HydrophobicContact CB-CG 4.29Å
465K92.5Very high94.9Very high124 Ų12439.8 Ų39.854%0.53921%0.209SC..THydrogen-bonded Turntrans6317-177.7-49.8176.5-175.61760114.6S467 E518 I520K465-S467 PolarHBondContact O-N 3.23Å; K465-E518 WeakPolarHBondContact CB-O 3.39Å; K465-E518 WeakPolarHBondContact CG-O 3.46Å; K465-I520 WeakPolarHBondContact CA-O 3.08Å; K465-I520 PolarHBondContact N-O 2.85Å
466C92.4Very high94.8Very high5 Ų540.2 Ų40.23%0.03421%0.21CC..  trans-63.4131.5171.7-164.60000109.7F462 P463 D464 I520F462-C466 HydrophobicContact CD2-CB 3.97Å; P463-C466 VanDerWaalsContact O-CB 3.32Å; P463-C466 WeakPolarHBondContact O-CB 3.36Å; P463-C466 PolarHBondContact O-N 2.93Å; D464-C466 PolarHBondContact O-N 3.26Å; C466-I520 PolarHBondContact O-N 3.25Å
467S91Very high94.8Very high32 Ų3246 Ų4622%0.22423%0.228CC..  trans-67.7134.9171.5166.60000109.6K465 V469 R470 G514K465-S467 PolarHBondContact O-N 3.23Å; S467-V469 PolarHBondContact O-N 3.18Å; S467-V469 WeakPolarHBondContact OG-CB 3.43Å; S467-V469 PolarHBondContact OG-N 3.49Å; S467-R470 WeakPolarHBondContact O-CB 3.01Å; S467-R470 PolarHBondContact O-N 3.14Å; S467-G514 PolarHBondContact OG-O 3.37Å; S467-G514 VanDerWaalsContact OG-O 3.13Å
468G91.7Very high94.8Very high3 Ų347 Ų473%0.03123%0.232CC..THydrogen-bonded Turntrans-64.8-19.5176.800000113.8R470 L471 D472 G506G468-R470 PolarHBondContact O-N 3.42Å; G468-L471 PolarHBondContact O-N 2.8Å; G468-D472 PolarHBondContact O-N 3.41Å; G468-G506 VanDerWaalsContact CA-O 3.28Å; G468-G506 WeakPolarHBondContact CA-O 3.43Å
469V90.1Very high94.8Very high34 Ų3446.8 Ų46.821%0.20623%0.23CC..Hα-helixtrans-57.6-38.8168.5176.40000111.3S467 L471 G508 T509S467-V469 PolarHBondContact O-N 3.18Å; S467-V469 WeakPolarHBondContact OG-CB 3.43Å; S467-V469 PolarHBondContact OG-N 3.49Å; V469-L471 PolarHBondContact O-N 3.01Å; V469-G508 WeakPolarHBondContact CG2-O 3.45Å; V469-T509 HydrophobicContact CG1-CG2 3.65Å
470R91.4Very high94.8Very high170 Ų17049.6 Ų49.664%0.64223%0.231SC*.Hα-helixtrans-70.5-21.5178.4-64.6175.260.4-172.2-2.4112.5S467 G468S467-R470 WeakPolarHBondContact O-CB 3.01Å; S467-R470 PolarHBondContact O-N 3.14Å; G468-R470 PolarHBondContact O-N 3.42Å
471L94.6Very high94.9Very high5 Ų553.3 Ų53.33%0.02625%0.247CC..Hα-helixtrans-96.1-23.6-175.4-57.3-172.9000112.6L457 L460 F462 G468 V469 S473 F474 F507 I520L457-L471 HydrophobicContact CD1-CB 3.83Å; L460-L471 HydrophobicContact CD2-CD2 3.62Å; F462-L471 HydrophobicContact CB-CD2 4.35Å; F462-L471 HydrophobicContact CD1-CD1 4.37Å; F462-L471 HydrophobicContact CD2-CD1 3.86Å; F462-L471 HydrophobicContact CE2-CD1 3.98Å; F462-L471 HydrophobicContact CG-CD1 4.06Å; F462-L471 HydrophobicContact CZ-CD1 4.32Å; G468-L471 PolarHBondContact O-N 2.8Å; V469-L471 PolarHBondContact O-N 3.01Å; L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.9Å; L471-F474 HydrophobicContact CD2-CE2 4.3Å; L471-F474 WeakPolarHBondContact O-CB 3.41Å; L471-F474 WeakPolarHBondContact O-CD2 3.29Å; L471-F474 PolarHBondContact O-N 2.82Å; L471-F474 VanDerWaalsContact O-N 3.14Å; L471-F507 HydrophobicContact CB-CD1 3.94Å; L471-F507 HydrophobicContact CB-CE1 4.06Å; L471-F507 HydrophobicContact CD1-CE1 4.05Å; L471-I520 HydrophobicContact CD1-CD1 3.83Å
472D94.4Very high94.9Very high5 Ų552.1 Ų52.13%0.02724%0.242CC..Hα-helixtrans-53.8-42-178.7-178.377.1000113.5G468 F474 A475 R476 T490 F507 G508G468-D472 PolarHBondContact O-N 3.41Å; D472-F474 PolarHBondContact O-N 3.08Å; D472-F474 VanDerWaalsContact O-N 3.16Å; D472-A475 PolarHBondContact O-N 3.38Å; D472-A475 VanDerWaalsContact O-N 3.13Å; D472-R476 IonicContact OD1-NE 2.89Å; D472-R476 IonicContact OD1-NH2 3.63Å; D472-R476 PolarHBondContact OD1-NH2 3.1Å; D472-R476 IonicContact OD2-CZ 3.45Å; D472-R476 IonicContact OD2-NE 2.69Å; D472-R476 PolarHBondContact OD2-NE 3.11Å; D472-R476 IonicContact OD2-NH2 2.72Å; D472-R476 PolarHBondContact OD2-NH2 3.2Å; D472-T490 WeakPolarHBondContact OD1-CB 3.41Å; D472-T490 PolarHBondContact OD1-N 3.5Å; D472-T490 VanDerWaalsContact OD1-N 3.14Å; D472-T490 PolarHBondContact OD1-OG1 3.21Å; D472-F507 HydrophobicContact CB-CB 4.35Å; D472-G508 WeakPolarHBondContact OD1-CA 3.43Å
473S95.5Very high95Very high54 Ų5455.4 Ų55.438%0.37828%0.277SS..Hα-helixtrans-66.4-18.4-177.6-520000114.5L471 A475 R476 R477L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.9Å; S473-A475 VanDerWaalsContact C-N 3.26Å; S473-A475 PolarHBondContact O-N 2.9Å; S473-R476 PolarHBondContact O-N 3.04Å; S473-R477 PolarHBondContact O-N 3.31Å; S473-R477 VanDerWaalsContact O-N 3.08Å
474F97.3Very high95.2Very high89 Ų8954.6 Ų54.639%0.3927%0.27SS..Hα-helixtrans-63.5-36.6174.3-75.1-91.2000111.3L460 L471 D472L460-F474 HydrophobicContact CD1-CD1 4.28Å; L460-F474 HydrophobicContact CD1-CE1 3.91Å; L460-F474 HydrophobicContact CD1-CZ 4.16Å; L460-F474 HydrophobicContact CD2-CD2 4.28Å; L460-F474 HydrophobicContact CD2-CE2 4.16Å; L460-F474 HydrophobicContact CD2-CZ 4.36Å; L471-F474 HydrophobicContact CD2-CE2 4.3Å; L471-F474 WeakPolarHBondContact O-CB 3.41Å; L471-F474 WeakPolarHBondContact O-CD2 3.29Å; L471-F474 PolarHBondContact O-N 2.82Å; L471-F474 VanDerWaalsContact O-N 3.14Å; D472-F474 PolarHBondContact O-N 3.08Å; D472-F474 VanDerWaalsContact O-N 3.16Å
475A97.9Very high95.4Very high0 Ų056.3 Ų56.30%028%0.279CS..Hα-helixtrans-78.3-26.1178.800000113.3G453 L457 D472 S473 Y486 T490 P530G453-A475 VanDerWaalsContact CA-O 3.25Å; G453-A475 WeakPolarHBondContact CA-O 3.5Å; G453-A475 WeakPolarHBondContact O-CA 3.43Å; L457-A475 HydrophobicContact CB-CB 4.49Å; D472-A475 PolarHBondContact O-N 3.38Å; D472-A475 VanDerWaalsContact O-N 3.13Å; S473-A475 VanDerWaalsContact C-N 3.26Å; S473-A475 PolarHBondContact O-N 2.9Å; A475-Y486 WeakPolarHBondContact CB-OH 3.06Å; A475-T490 HydrophobicContact CB-CG2 3.32Å; A475-P530 HydrophobicContact CB-CB 4.21Å; A475-P530 HydrophobicContact CB-CG 4.48Å
476R97.7Very high95.4Very high11 Ų1150.5 Ų50.54%0.04225%0.254CS..Hα-helixtrans-82-28.5178.4-61.8-176.2-173.1-77.4-13.1114.5D472 S473 F478 L479 W480 D485 Y486 H488D472-R476 IonicContact OD1-NE 2.89Å; D472-R476 IonicContact OD1-NH2 3.63Å; D472-R476 PolarHBondContact OD1-NH2 3.1Å; D472-R476 IonicContact OD2-CZ 3.45Å; D472-R476 IonicContact OD2-NE 2.69Å; D472-R476 PolarHBondContact OD2-NE 3.11Å; D472-R476 IonicContact OD2-NH2 2.72Å; D472-R476 PolarHBondContact OD2-NH2 3.2Å; S473-R476 PolarHBondContact O-N 3.04Å; R476-F478 VanDerWaalsContact C-N 3.29Å; R476-F478 PolarHBondContact O-N 2.59Å; R476-L479 WeakPolarHBondContact O-CB 3.38Å; R476-L479 PolarHBondContact O-N 2.84Å; R476-W480 HydrophobicContact CB-CD2 3.83Å; R476-W480 HydrophobicContact CB-CE3 4.3Å; R476-W480 HydrophobicContact CB-CG 4.27Å; R476-W480 HydrophobicContact CB-CH2 4.34Å; R476-W480 HydrophobicContact CB-CZ2 3.88Å; R476-W480 HydrophobicContact CG-CZ2 4.23Å; R476-W480 PolarHBondContact O-N 2.73Å; R476-D485 IonicContact CZ-OD1 3.99Å; R476-D485 IonicContact NH1-OD1 2.66Å; R476-D485 PolarHBondContact NH1-OD1 2.9Å; R476-Y486 HydrophobicContact CB-CE1 4.45Å; R476-Y486 HydrophobicContact CG-CE1 3.73Å; R476-Y486 HydrophobicContact CG-CE2 4.46Å; R476-Y486 VanDerWaalsContact CG-OH 3.27Å; R476-Y486 WeakPolarHBondContact CG-OH 3.25Å; R476-Y486 PolarHBondContact NH1-O 3.39Å; R476-H488 PolarHBondContact NH2-O 3.48Å
477R97.8Very high95.2Very high142 Ų14253 Ų5354%0.53627%0.27SS..Hα-helixtrans-42.4-51.5-168.9176.4-175.8169.5171.2-0.5113.8S473 L479 W480 E481S473-R477 PolarHBondContact O-N 3.31Å; S473-R477 VanDerWaalsContact O-N 3.08Å; R477-L479 VanDerWaalsContact C-N 3.32Å; R477-L479 PolarHBondContact O-N 3.08Å; R477-W480 PolarHBondContact O-N 2.67Å; R477-E481 IonicContact CZ-OE1 3.35Å; R477-E481 IonicContact NE-OE1 2.66Å; R477-E481 PolarHBondContact NE-OE1 2.91Å; R477-E481 IonicContact NH2-OE1 3.76Å; R477-E481 PolarHBondContact NH2-OE1 3.02Å; R477-E481 WeakPolarHBondContact O-CG 3.11Å; R477-E481 PolarHBondContact O-N 3.32Å
478F98.3Very high95.1Very high22 Ų2252.1 Ų52.110%0.09626%0.262CS..Hα-helixtrans-74.4-22.6-172.2-57.4-75.4000113.9R449 K452 A456 R476 N482R449-F478 HydrophobicContact CB-CB 4.3Å; R449-F478 WeakPolarHBondContact CD-O 3.44Å; R449-F478 HydrophobicContact CG-CB 4.49Å; K452-F478 HydrophobicContact CB-CB 4.26Å; K452-F478 HydrophobicContact CB-CD1 4.24Å; K452-F478 HydrophobicContact CB-CD2 3.49Å; K452-F478 VanDerWaalsContact CB-CD2 3.49Å; K452-F478 HydrophobicContact CB-CE1 4.46Å; K452-F478 HydrophobicContact CB-CE2 3.76Å; K452-F478 HydrophobicContact CB-CG 3.73Å; K452-F478 HydrophobicContact CB-CZ 4.22Å; K452-F478 HydrophobicContact CD-CD1 4.31Å; K452-F478 HydrophobicContact CD-CG 4.42Å; K452-F478 VanDerWaalsContact CE-CE1 3.42Å; K452-F478 WeakPolarHBondContact O-CE2 3.27Å; A456-F478 HydrophobicContact CB-CE2 3.75Å; A456-F478 HydrophobicContact CB-CZ 4.43Å; R476-F478 VanDerWaalsContact C-N 3.29Å; R476-F478 PolarHBondContact O-N 2.59Å; F478-N482 PolarHBondContact O-ND2 2.84Å
479L98.5Very high95Very high0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-77.3-45.3169.4-70.1170.6000110.2R449 V450 R476 R477 E481 N482 G483 L484 Y486 G531 F532R449-L479 HydrophobicContact CB-CD2 3.83Å; R449-L479 HydrophobicContact CB-CG 4.33Å; V450-L479 HydrophobicContact CG2-CD1 4.28Å; V450-L479 HydrophobicContact CG2-CD2 4.42Å; R476-L479 WeakPolarHBondContact O-CB 3.38Å; R476-L479 PolarHBondContact O-N 2.84Å; R477-L479 VanDerWaalsContact C-N 3.32Å; R477-L479 PolarHBondContact O-N 3.08Å; L479-E481 VanDerWaalsContact C-N 3.29Å; L479-E481 PolarHBondContact O-N 3.23Å; L479-N482 CarbonylContact O-C 3.57Å; L479-N482 WeakPolarHBondContact O-CA 3.25Å; L479-N482 PolarHBondContact O-N 2.95Å; L479-G483 PolarHBondContact O-N 3.3Å; L479-L484 CarbonylContact C-O 3.12Å; L479-L484 HydrophobicContact CB-CB 3.98Å; L479-L484 WeakPolarHBondContact CB-O 3.26Å; L479-L484 HydrophobicContact CD2-CB 3.97Å; L479-L484 HydrophobicContact CD2-CD1 4.08Å; L479-L484 PolarHBondContact O-N 3.49Å; L479-Y486 HydrophobicContact CD1-CD1 3.54Å; L479-Y486 HydrophobicContact CD1-CE1 3.84Å; L479-G531 VanDerWaalsContact CD1-O 3.24Å; L479-G531 WeakPolarHBondContact CD1-O 3.34Å; L479-F532 HydrophobicContact CD1-CB 4.47Å; L479-F532 HydrophobicContact CD2-CB 4.21Å; L479-F532 HydrophobicContact CD2-CD2 4.41Å; L479-F532 HydrophobicContact CD2-CG 4.41Å
480W98.2Very high95.2Very high124 Ų12451 Ų5147%0.4726%0.258SS..Hα-helixtrans-58.8-37.5178-74-9.3000113.5R476 R477 N482 G483 L484 D485R476-W480 HydrophobicContact CB-CD2 3.83Å; R476-W480 HydrophobicContact CB-CE3 4.3Å; R476-W480 HydrophobicContact CB-CG 4.27Å; R476-W480 HydrophobicContact CB-CH2 4.34Å; R476-W480 HydrophobicContact CB-CZ2 3.88Å; R476-W480 HydrophobicContact CG-CZ2 4.23Å; R476-W480 PolarHBondContact O-N 2.73Å; R477-W480 PolarHBondContact O-N 2.67Å; W480-N482 PolarHBondContact O-N 2.85Å; W480-G483 PolarHBondContact O-N 3.17Å; W480-L484 PolarHBondContact N-O 2.95Å; W480-D485 PolarHBondContact NE1-OD1 2.91Å; W480-D485 PolarHBondContact NE1-OD2 3.35Å
481E97.8Very high95.4Very high109 Ų10943.1 Ų43.151%0.50923%0.229SC..THydrogen-bonded Turntrans-56-14.1173.8-75.8171.1-177.200113.1R477 L479R477-E481 IonicContact CZ-OE1 3.35Å; R477-E481 IonicContact NE-OE1 2.66Å; R477-E481 PolarHBondContact NE-OE1 2.91Å; R477-E481 IonicContact NH2-OE1 3.76Å; R477-E481 PolarHBondContact NH2-OE1 3.02Å; R477-E481 WeakPolarHBondContact O-CG 3.11Å; R477-E481 PolarHBondContact O-N 3.32Å; L479-E481 VanDerWaalsContact C-N 3.29Å; L479-E481 PolarHBondContact O-N 3.23Å
482N96.4Very high95.4Very high73 Ų7343.5 Ų43.539%0.3923%0.231SC..THydrogen-bonded Turntrans-123.815.1179.7-58.6-90.3000112.9R449 F478 L479 W480 L484R449-N482 VanDerWaalsContact CZ-CG 3.43Å; R449-N482 PolarHBondContact NE-ND2 3.37Å; R449-N482 PolarHBondContact NH1-ND2 3.44Å; R449-N482 PolarHBondContact NH2-OD1 3.43Å; F478-N482 PolarHBondContact O-ND2 2.84Å; L479-N482 CarbonylContact O-C 3.57Å; L479-N482 WeakPolarHBondContact O-CA 3.25Å; L479-N482 PolarHBondContact O-N 2.95Å; W480-N482 PolarHBondContact O-N 2.85Å; N482-L484 HydrophobicContact CB-CG 4.31Å; N482-L484 PolarHBondContact O-N 3.36Å
483G96.8Very high95.4Very high73 Ų7343.4 Ų43.475%0.75323%0.231SC*.THydrogen-bonded Turntrans66.922.6-178.300000114L479 W480L479-G483 PolarHBondContact O-N 3.3Å; W480-G483 PolarHBondContact O-N 3.17Å
484L97.1Very high95.5Very high33 Ų3340.9 Ų40.917%0.17321%0.213CC..  trans-104.2156.9175.4-53.5-177.3000110.3L479 W480 N482 F532L479-L484 CarbonylContact C-O 3.12Å; L479-L484 HydrophobicContact CB-CB 3.98Å; L479-L484 WeakPolarHBondContact CB-O 3.26Å; L479-L484 HydrophobicContact CD2-CB 3.97Å; L479-L484 HydrophobicContact CD2-CD1 4.08Å; L479-L484 PolarHBondContact O-N 3.49Å; W480-L484 PolarHBondContact N-O 2.95Å; N482-L484 HydrophobicContact CB-CG 4.31Å; N482-L484 PolarHBondContact O-N 3.36Å; L484-F532 HydrophobicContact CB-CD2 4.03Å; L484-F532 HydrophobicContact CB-CE2 3.79Å; L484-F532 HydrophobicContact CD1-CD2 4.34Å; L484-F532 HydrophobicContact CD1-CE1 4.45Å; L484-F532 HydrophobicContact CD1-CE2 4Å; L484-F532 HydrophobicContact CD1-CZ 4.05Å; L484-F532 HydrophobicContact CD2-CE2 3.74Å; L484-F532 HydrophobicContact CD2-CZ 3.83Å; L484-F532 HydrophobicContact CG-CE2 4.04Å; L484-F532 HydrophobicContact CG-CZ 4.37Å
485D95.3Very high95.5Very high74 Ų7436.6 Ų36.640%0.39620%0.195SC..  trans-158.1175.9174.7-152.8-10.9000111R476 W480R476-D485 IonicContact CZ-OD1 3.99Å; R476-D485 IonicContact NH1-OD1 2.66Å; R476-D485 PolarHBondContact NH1-OD1 2.9Å; W480-D485 PolarHBondContact NE1-OD1 2.91Å; W480-D485 PolarHBondContact NE1-OD2 3.35Å
486Y93.5Very high95.5Very high3 Ų336.7 Ų36.71%0.01220%0.195CC..  trans-129.7134.4172.250.7-84.7000112.3A475 R476 L479 H488 T490 P530 G531A475-Y486 WeakPolarHBondContact CB-OH 3.06Å; R476-Y486 HydrophobicContact CB-CE1 4.45Å; R476-Y486 HydrophobicContact CG-CE1 3.73Å; R476-Y486 HydrophobicContact CG-CE2 4.46Å; R476-Y486 VanDerWaalsContact CG-OH 3.27Å; R476-Y486 WeakPolarHBondContact CG-OH 3.25Å; R476-Y486 PolarHBondContact NH1-O 3.39Å; L479-Y486 HydrophobicContact CD1-CD1 3.54Å; L479-Y486 HydrophobicContact CD1-CE1 3.84Å; Y486-H488 VanDerWaalsContact C-N 3.27Å; Y486-H488 AromaticContact CD2-CE1 3.63Å; Y486-H488 AromaticContact CD2-ND1 3.83Å; Y486-H488 AromaticContact CD2-NE2 3.75Å; Y486-H488 WeakPolarHBondContact CD2-O 3.3Å; Y486-H488 PolarHBondContact O-N 3.24Å; Y486-H488 VanDerWaalsContact O-N 3.07Å; Y486-T490 PolarHBondContact OH-OG1 2.68Å; Y486-P530 HydrophobicContact CE1-CB 4.03Å; Y486-G531 VanDerWaalsContact CB-O 3.31Å; Y486-G531 WeakPolarHBondContact CB-O 3.49Å; Y486-G531 WeakPolarHBondContact CD1-O 3.45Å
487P88.6Confident95.5Very high57 Ų5736.2 Ų36.237%0.3719%0.193SC..SBendtrans-90.141.8-169.638.5-38.3000113.6I397I397-P487 HydrophobicContact CD1-CG 3.38Å
488H87.7Confident95.5Very high14 Ų1429.4 Ų29.47%0.06517%0.168CC..SBendtrans-142.6169.8173.160.288.9000111I85 R476 Y486 E529 Y533I85-H488 HydrophobicContact CG2-CB 3.65Å; R476-H488 PolarHBondContact NH2-O 3.48Å; Y486-H488 VanDerWaalsContact C-N 3.27Å; Y486-H488 AromaticContact CD2-CE1 3.63Å; Y486-H488 AromaticContact CD2-ND1 3.83Å; Y486-H488 AromaticContact CD2-NE2 3.75Å; Y486-H488 WeakPolarHBondContact CD2-O 3.3Å; Y486-H488 PolarHBondContact O-N 3.24Å; Y486-H488 VanDerWaalsContact O-N 3.07Å; H488-E529 PolarHBondContact CE1-O 2.85Å; H488-E529 VanDerWaalsContact CE1-O 3.3Å; H488-Y533 AromaticContact CD2-CE2 3.55Å; H488-Y533 AromaticContact CD2-CZ 3.98Å; H488-Y533 AromaticContact NE2-CE2 3.23Å; H488-Y533 WeakPolarHBondContact NE2-CE2 3.45Å; H488-Y533 AromaticContact NE2-CZ 3.45Å; H488-Y533 PolarHBondContact NE2-OH 3.27Å
489G89.3Confident95.5Very high14 Ų1429.8 Ų29.814%0.14417%0.172CC..  trans-67.1156.9173.500000111.7G491 F507G489-G491 PolarHBondContact O-N 3.43Å; G489-F507 CarbonylContact C-O 3.56Å; G489-F507 VanDerWaalsContact CA-O 3.25Å; G489-F507 WeakPolarHBondContact CA-O 3.35Å
490T95.4Very high95.4Very high0 Ų029.9 Ų29.90%017%0.172CC..SBendtrans-73.5-14.1176.5-60.20000112.9L457 D472 A475 Y486 F507 I528 E529L457-T490 HydrophobicContact CD2-CG2 3.53Å; D472-T490 WeakPolarHBondContact OD1-CB 3.41Å; D472-T490 PolarHBondContact OD1-N 3.5Å; D472-T490 VanDerWaalsContact OD1-N 3.14Å; D472-T490 PolarHBondContact OD1-OG1 3.21Å; A475-T490 HydrophobicContact CB-CG2 3.32Å; Y486-T490 PolarHBondContact OH-OG1 2.68Å; T490-F507 HydrophobicContact CG2-CB 4.28Å; T490-F507 PolarHBondContact N-O 2.87Å; T490-I528 HydrophobicContact CG2-CG2 4.37Å; T490-I528 WeakPolarHBondContact O-CA 3.29Å; T490-E529 WeakPolarHBondContact O-CG 3.21Å; T490-E529 PolarHBondContact O-N 2.91Å
491G95.3Very high95.2Very high3 Ų326.2 Ų26.23%0.03116%0.16CC..EExtended strand (participates in β ladder)trans167.6-179.9171.200000113.9G489 G506 F507 T527G489-G491 PolarHBondContact O-N 3.43Å; G491-G506 WeakPolarHBondContact O-CA 3.12Å; G491-F507 PolarHBondContact N-O 3.22Å; G491-F507 PolarHBondContact O-N 3.42Å; G491-T527 WeakPolarHBondContact CA-O 3.37Å; G491-T527 VanDerWaalsContact CA-OG1 3.31Å; G491-T527 WeakPolarHBondContact CA-OG1 3.08Å
492H93.8Very high94.9Very high13 Ų1321.2 Ų21.26%0.0614%0.137CC..EExtended strand (participates in β ladder)trans-142.4166.2-172.450.884.1000110.7D429 V500 H501 L526 T527 E529 E543D429-H492 IonicContact OD2-CE1 3.5Å; D429-H492 PolarHBondContact OD2-CE1 3.13Å; D429-H492 VanDerWaalsContact OD2-CE1 3.31Å; D429-H492 IonicContact OD2-NE2 3.9Å; H492-V500 PolarHBondContact CE1-O 3.46Å; H492-V500 PolarHBondContact ND1-O 3.32Å; H492-H501 AromaticContact CD2-CD2 3.58Å; H492-H501 AromaticContact CE1-CD2 3.47Å; H492-H501 PolarHBondContact CE1-CD2 2.63Å; H492-H501 VanDerWaalsContact CE1-CD2 3.47Å; H492-H501 AromaticContact CG-CD2 3.68Å; H492-H501 AromaticContact ND1-CD2 3.61Å; H492-H501 AromaticContact NE2-CD2 3.47Å; H492-H501 PolarHBondContact NE2-CD2 2.94Å; H492-H501 AromaticContact NE2-NE2 3.99Å; H492-L526 CarbonylContact O-C 3.17Å; H492-L526 WeakPolarHBondContact O-CA 3.34Å; H492-T527 PolarHBondContact CD2-OG1 3.17Å; H492-T527 WeakPolarHBondContact CE1-CG2 3.17Å; H492-T527 PolarHBondContact CE1-OG1 3.29Å; H492-T527 PolarHBondContact N-OG1 3.09Å; H492-T527 PolarHBondContact NE2-OG1 2.77Å; H492-T527 VanDerWaalsContact NE2-OG1 3.09Å; H492-T527 PolarHBondContact O-N 3.19Å; H492-T527 PolarHBondContact O-OG1 2.87Å; H492-E529 IonicContact CD2-OE1 3.51Å; H492-E529 PolarHBondContact CD2-OE1 3.41Å; H492-E529 IonicContact NE2-OE1 3.59Å; H492-E529 PolarHBondContact NE2-OE1 2.87Å; H492-E543 IonicContact NE2-OE1 3.49Å
493G95.1Very high94.5Very high4 Ų418.8 Ų18.84%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-70.8160.6167.500000112.1E502 S505 V525G493-E502 CarbonylContact C-O 3.56Å; G493-E502 WeakPolarHBondContact CA-O 3.36Å; G493-E502 PolarHBondContact N-O 3.12Å; G493-E502 PolarHBondContact O-N 3.13Å; G493-S505 PolarHBondContact N-O 2.9Å; G493-V525 CarbonylContact C-O 3.54Å; G493-V525 VanDerWaalsContact CA-O 3.26Å; G493-V525 WeakPolarHBondContact CA-O 3.48Å
494V97.5Very high93.9Very high0 Ų015.7 Ų15.70%010%0.095CC..  trans-126.1129.3177.3-174.50000109.9K323 M331 T427 V525 T527K323-V494 VanDerWaalsContact CE-O 3.3Å; K323-V494 WeakPolarHBondContact CE-O 3.23Å; K323-V494 PolarHBondContact NZ-O 2.63Å; M331-V494 HydrophobicContact CE-CB 4.39Å; M331-V494 HydrophobicContact CE-CG1 4.06Å; T427-V494 HydrophobicContact CG2-CG1 4.14Å; T427-V494 WeakPolarHBondContact O-CG1 3.45Å; V494-V525 HydrophobicContact CB-CG1 4Å; V494-V525 HydrophobicContact CG2-CG1 4.38Å; V494-V525 PolarHBondContact N-O 2.94Å; V494-T527 HydrophobicContact CG2-CG2 3.72Å
495G97.7Very high93.4Very high0 Ų014.3 Ų14.30%09%0.089CC..  trans-77.6160.9179.500000113.6T427 C497 V499T427-G495 VanDerWaalsContact CB-O 3.23Å; T427-G495 WeakPolarHBondContact CB-O 3.22Å; T427-G495 PolarHBondContact OG1-O 2.73Å; G495-C497 PolarHBondContact O-N 3.09Å; G495-V499 WeakPolarHBondContact CA-O 3.49Å; G495-V499 PolarHBondContact N-O 2.92Å
496M98Very high93Very high2 Ų210.9 Ų10.91%0.017%0.07CC..SBendtrans-92.597.6176.2174.257.3-179.900110.6F182 R221 E327 S330 M331 D425 L498F182-M496 HydrophobicContact CB-CE 3.89Å; F182-M496 WeakPolarHBondContact O-CE 3.44Å; R221-M496 PolarHBondContact NH2-O 3.22Å; R221-M496 VanDerWaalsContact NH2-O 3.13Å; E327-M496 HydrophobicContact CB-CG 4.12Å; E327-M496 HydrophobicContact CB-SD 4.47Å; E327-M496 HydrophobicContact CG-CG 3.94Å; S330-M496 VanDerWaalsContact CB-CE 3.41Å; M331-M496 HydrophobicContact CG-SD 3.41Å; M331-M496 WeakPolarHBondContact CG-SD 3.37Å; M331-M496 HydrophobicContact SD-CB 4.29Å; M331-M496 HydrophobicContact SD-SD 4.19Å; D425-M496 VanDerWaalsContact C-CE 3.47Å; D425-M496 VanDerWaalsContact O-CE 3.28Å; D425-M496 WeakPolarHBondContact O-CE 3.31Å; D425-M496 VanDerWaalsContact O-SD 3.37Å; M496-L498 VanDerWaalsContact C-N 3.26Å; M496-L498 PolarHBondContact O-N 3Å
497C98.4Very high92.9Very high0 Ų010.7 Ų10.70%07%0.07CC..SBendtrans52.150.4-170.5-175.90000109.4R221 P229 Y423 T427 G495R221-C497 VanDerWaalsContact CD-O 3.25Å; R221-C497 WeakPolarHBondContact CD-O 3.02Å; R221-C497 PolarHBondContact NE-O 2.75Å; P229-C497 VanDerWaalsContact CG-C 3.45Å; P229-C497 WeakPolarHBondContact CG-O 3.34Å; Y423-C497 VanDerWaalsContact O-CB 3.26Å; Y423-C497 WeakPolarHBondContact O-CB 3.36Å; Y423-C497 PolarHBondContact O-SG 3.06Å; T427-C497 WeakPolarHBondContact OG1-CA 3.18Å; T427-C497 PolarHBondContact OG1-N 2.78Å; T427-C497 VanDerWaalsContact OG1-N 3.16Å; G495-C497 PolarHBondContact O-N 3.09Å
498L97.7Very high92.5Very high0 Ų08 Ų80%05%0.052CC..SBendtrans-145.4-149.4-172.1-83.8175.3000109.1D212 A215 W216 P229 V230 Q422 T427 M496D212-L498 HydrophobicContact CB-CD2 4.17Å; A215-L498 HydrophobicContact CB-CD2 3.78Å; W216-L498 HydrophobicContact CB-CD1 3.96Å; W216-L498 HydrophobicContact CG-CD1 4.48Å; P229-L498 WeakPolarHBondContact CD-O 3.28Å; V230-L498 HydrophobicContact CG1-CD2 4.1Å; Q422-L498 PolarHBondContact NE2-O 3.49Å; T427-L498 PolarHBondContact OG1-N 2.97Å; T427-L498 VanDerWaalsContact OG1-N 3.16Å; M496-L498 VanDerWaalsContact C-N 3.26Å; M496-L498 PolarHBondContact O-N 3Å
499V96.6Very high91.5Very high30 Ų3011.5 Ų11.518%0.1827%0.074CC..  trans-61.8136.4173.4-69.80000110.9D212 T228 G495 H501 E502D212-V499 HydrophobicContact CB-CG1 4.08Å; D212-V499 HydrophobicContact CB-CG2 4.23Å; T228-V499 HydrophobicContact CG2-CB 4.4Å; T228-V499 HydrophobicContact CG2-CG1 3.49Å; T228-V499 VanDerWaalsContact CG2-CG1 3.49Å; G495-V499 WeakPolarHBondContact CA-O 3.49Å; G495-V499 PolarHBondContact N-O 2.92Å; V499-H501 VanDerWaalsContact C-N 3.33Å; V499-E502 HydrophobicContact CG2-CB 3.9Å; V499-E502 HydrophobicContact CG2-CG 4.3Å
500V97.4Very high89.9Confident2 Ų215.2 Ų15.21%0.0129%0.09CC..SBendtrans-69.1-34.6172.3690000111.4Y42 F384 T427 D429 H492Y42-V500 HydrophobicContact CE2-CG1 4.49Å; F384-V500 HydrophobicContact CD1-CB 4.46Å; F384-V500 HydrophobicContact CD1-CG1 4.11Å; F384-V500 HydrophobicContact CD1-CG2 4.06Å; F384-V500 HydrophobicContact CE1-CG2 4.21Å; T427-V500 HydrophobicContact CG2-CB 4Å; T427-V500 HydrophobicContact CG2-CG2 4.1Å; D429-V500 HydrophobicContact CB-CG2 3.79Å; D429-V500 VanDerWaalsContact OD2-CG2 3.23Å; D429-V500 WeakPolarHBondContact OD2-CG2 3.46Å; H492-V500 PolarHBondContact CE1-O 3.46Å; H492-V500 PolarHBondContact ND1-O 3.32Å
501H93.5Very high87.8Confident47 Ų4716.3 Ų16.322%0.21810%0.098CC..SBendtrans-99.489.1171.9-48.8126.6000110.4E41 H492 V499E41-H501 VanDerWaalsContact CD-ND1 3.32Å; E41-H501 IonicContact OE1-ND1 2.84Å; E41-H501 WeakPolarHBondContact OE2-CB 3.43Å; E41-H501 IonicContact OE2-CE1 3.44Å; E41-H501 IonicContact OE2-CG 3.37Å; E41-H501 IonicContact OE2-ND1 2.79Å; E41-H501 PolarHBondContact OE2-ND1 2.87Å; H492-H501 AromaticContact CD2-CD2 3.58Å; H492-H501 AromaticContact CE1-CD2 3.47Å; H492-H501 PolarHBondContact CE1-CD2 2.63Å; H492-H501 VanDerWaalsContact CE1-CD2 3.47Å; H492-H501 AromaticContact CG-CD2 3.68Å; H492-H501 AromaticContact ND1-CD2 3.61Å; H492-H501 AromaticContact NE2-CD2 3.47Å; H492-H501 PolarHBondContact NE2-CD2 2.94Å; H492-H501 AromaticContact NE2-NE2 3.99Å; V499-H501 VanDerWaalsContact C-N 3.33Å
502E92.5Very high85.8Confident4 Ų424.9 Ų24.92%0.01913%0.129CC..EExtended strand (participates in β ladder)trans-97.6120.9-179.8-17516479.200112K320 K323 G493 V499K320-E502 VanDerWaalsContact NZ-CD 3.29Å; K320-E502 VanDerWaalsContact NZ-CG 3.26Å; K320-E502 IonicContact NZ-OE2 3.55Å; K320-E502 PolarHBondContact NZ-OE2 2.93Å; K323-E502 IonicContact NZ-OE1 2.63Å; K323-E502 PolarHBondContact NZ-OE1 2.86Å; G493-E502 CarbonylContact C-O 3.56Å; G493-E502 WeakPolarHBondContact CA-O 3.36Å; G493-E502 PolarHBondContact N-O 3.12Å; G493-E502 PolarHBondContact O-N 3.13Å; V499-E502 HydrophobicContact CG2-CB 3.9Å; V499-E502 HydrophobicContact CG2-CG 4.3Å
503G87.2Confident83.8Confident21 Ų2126 Ų2622%0.21614%0.136CC..EExtended strand (participates in β ladder)trans-79171.3165.800000113.1
504P85.2Confident81.7Confident8 Ų825.8 Ų25.85%0.05214%0.135CC..EExtended strand (participates in β ladder)cis-97.81.66.634-28.5000114L317 N318 V513 N516L317-P504 HydrophobicContact CB-CG 4.34Å; N318-P504 WeakPolarHBondContact OD1-CG 3.41Å; P504-V513 CarbonylContact C-O 3.55Å; P504-V513 CarbonylContact O-C 3.25Å; P504-V513 VanDerWaalsContact O-C 3.3Å; P504-N516 HydrophobicContact CB-CB 4.25Å; P504-N516 HydrophobicContact CG-CB 4.33Å; P504-N516 WeakPolarHBondContact O-CB 3.26Å
505S86.3Confident79.8Confident5 Ų532.1 Ų32.14%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-96.1142.9-176.9-64.80000112.7G493 V513 N516 M524G493-S505 PolarHBondContact N-O 2.9Å; S505-V513 CarbonylContact C-O 3.52Å; S505-V513 WeakPolarHBondContact CA-O 3.49Å; S505-V513 WeakPolarHBondContact O-CG1 3.47Å; S505-N516 PolarHBondContact OG-ND2 3.3Å; S505-M524 WeakPolarHBondContact OG-CE 3.16Å; S505-M524 PolarHBondContact OG-SD 2.83Å
506G87.4Confident78.3Confident1 Ų132.7 Ų32.71%0.0117%0.166CC..EExtended strand (participates in β ladder)trans172-176177.400000110.8G468 G491 V513G468-G506 VanDerWaalsContact CA-O 3.28Å; G468-G506 WeakPolarHBondContact CA-O 3.43Å; G491-G506 WeakPolarHBondContact O-CA 3.12Å; G506-V513 PolarHBondContact N-O 3.28Å
507F90.1Very high77Confident0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-117.2116.5-174.9-49.5-75.6000110.4L457 L471 D472 G489 T490 G491 I520 L526 T527 I528 F564L457-F507 HydrophobicContact CD1-CE1 4.33Å; L457-F507 HydrophobicContact CD2-CD1 4.08Å; L457-F507 HydrophobicContact CD2-CD2 4.21Å; L457-F507 HydrophobicContact CD2-CE1 4.14Å; L457-F507 HydrophobicContact CD2-CE2 4.28Å; L457-F507 HydrophobicContact CD2-CG 4.11Å; L457-F507 HydrophobicContact CD2-CZ 4.25Å; L471-F507 HydrophobicContact CB-CD1 3.94Å; L471-F507 HydrophobicContact CB-CE1 4.06Å; L471-F507 HydrophobicContact CD1-CE1 4.05Å; D472-F507 HydrophobicContact CB-CB 4.35Å; G489-F507 CarbonylContact C-O 3.56Å; G489-F507 VanDerWaalsContact CA-O 3.25Å; G489-F507 WeakPolarHBondContact CA-O 3.35Å; T490-F507 HydrophobicContact CG2-CB 4.28Å; T490-F507 PolarHBondContact N-O 2.87Å; G491-F507 PolarHBondContact N-O 3.22Å; G491-F507 PolarHBondContact O-N 3.42Å; F507-I520 HydrophobicContact CD1-CD1 4.29Å; F507-I520 HydrophobicContact CE1-CD1 3.55Å; F507-I520 HydrophobicContact CZ-CD1 4.13Å; F507-L526 HydrophobicContact CE1-CD1 4.36Å; F507-L526 HydrophobicContact CE2-CB 3.89Å; F507-L526 HydrophobicContact CE2-CD1 3.98Å; F507-L526 HydrophobicContact CZ-CB 4.26Å; F507-L526 HydrophobicContact CZ-CD1 3.59Å; F507-T527 WeakPolarHBondContact CD2-O 3.33Å; F507-T527 WeakPolarHBondContact CE2-O 3.49Å; F507-I528 HydrophobicContact CE2-CG1 4.07Å; F507-F564 HydrophobicContact CE1-CZ 4.16Å; F507-F564 AromaticContact CZ-CE1 4Å; F507-F564 HydrophobicContact CZ-CE1 4Å; F507-F564 AromaticContact CZ-CZ 3.67Å; F507-F564 HydrophobicContact CZ-CZ 3.67Å
508G80.5Confident76.3Confident0 Ų040.3 Ų40.30%021%0.212CC..  trans143.6158.7173.500000113.4V469 D472V469-G508 WeakPolarHBondContact CG2-O 3.45Å; D472-G508 WeakPolarHBondContact OD1-CA 3.43Å
509T66.5Low75.9Confident87 Ų8740.5 Ų40.553%0.53421%0.214SC..SBendtrans-93.6-19.5175.551.40000112.6V469V469-T509 HydrophobicContact CG1-CG2 3.65Å
510I56.5Low75.8Confident93 Ų9339.2 Ų39.248%0.47721%0.206SC..SBendtrans-80.6-21-171.3-54.3174.2000111.2
511S50.8Low75.7Confident22 Ų2242 Ų4215%0.15422%0.217CC..SBendtrans-117.3140.2176.369.60000109.8V513 G514S511-V513 PolarHBondContact O-N 3.41Å; S511-G514 PolarHBondContact O-N 3.2Å
512R52.5Low75.8Confident184 Ų18441.3 Ų41.369%0.69422%0.216SC*.G310 helixtrans-61-7.8174.5-69.6-170.2179.1179.16.5113.6D135 G514 F515D135-R512 IonicContact OD2-CZ 2.73Å; D135-R512 IonicContact OD2-NH1 3.45Å; D135-R512 PolarHBondContact OD2-NH1 3.2Å; D135-R512 IonicContact OD2-NH2 3.42Å; D135-R512 PolarHBondContact OD2-NH2 3.49Å; R512-G514 PolarHBondContact O-N 3.34Å; R512-F515 PolarHBondContact O-N 3.41Å; R512-F515 VanDerWaalsContact O-N 3.09Å
513V52.9Low76Confident35 Ų3543.1 Ų43.121%0.21223%0.226CC..G310 helixtrans-65-12174.5-161.70000112.2P504 S505 G506 S511P504-V513 CarbonylContact C-O 3.55Å; P504-V513 CarbonylContact O-C 3.25Å; P504-V513 VanDerWaalsContact O-C 3.3Å; S505-V513 CarbonylContact C-O 3.52Å; S505-V513 WeakPolarHBondContact CA-O 3.49Å; S505-V513 WeakPolarHBondContact O-CG1 3.47Å; G506-V513 PolarHBondContact N-O 3.28Å; S511-V513 PolarHBondContact O-N 3.41Å
514G49.8Very low76.5Confident1 Ų142.2 Ų42.21%0.0122%0.216CC..G310 helixtrans-87.9-18.117100000114.9S467 S511 R512 N516S467-G514 PolarHBondContact OG-O 3.37Å; S467-G514 VanDerWaalsContact OG-O 3.13Å; S511-G514 PolarHBondContact O-N 3.2Å; R512-G514 PolarHBondContact O-N 3.34Å; G514-N516 VanDerWaalsContact C-N 3.3Å; G514-N516 PolarHBondContact O-N 3.09Å
515F57.4Low77.1Confident132 Ų13242 Ų4258%0.57921%0.214SC*.  trans-95.748.6-176.1-66.2-83.4000111.3R512 S517R512-F515 PolarHBondContact O-N 3.41Å; R512-F515 VanDerWaalsContact O-N 3.09Å; F515-S517 PolarHBondContact O-N 3.03Å
516N68Low77.7Confident12 Ų1241.8 Ų41.86%0.06421%0.213CC..  trans-69.8117165-173-7.4000109.1P504 S505 G514 E518 G519P504-N516 HydrophobicContact CB-CB 4.25Å; P504-N516 HydrophobicContact CG-CB 4.33Å; P504-N516 WeakPolarHBondContact O-CB 3.26Å; S505-N516 PolarHBondContact OG-ND2 3.3Å; G514-N516 VanDerWaalsContact C-N 3.3Å; G514-N516 PolarHBondContact O-N 3.09Å; N516-E518 PolarHBondContact O-N 2.88Å; N516-E518 WeakPolarHBondContact OD1-CB 3.27Å; N516-E518 PolarHBondContact OD1-N 3.29Å; N516-G519 PolarHBondContact ND2-O 2.52Å; N516-G519 VanDerWaalsContact ND2-O 3.1Å; N516-G519 PolarHBondContact O-N 3.24Å; N516-G519 VanDerWaalsContact O-N 3.1Å
517S69.6Low78.2Confident97 Ų9741.8 Ų41.868%0.67821%0.212SC*.THydrogen-bonded Turntrans-61.6-24.3175.458.40000113Q313 F515Q313-S517 PolarHBondContact OE1-OG 3Å; F515-S517 PolarHBondContact O-N 3.03Å
518E83.6Confident78.6Confident66 Ų6641.8 Ų41.831%0.30821%0.212SC..THydrogen-bonded Turntrans-91.7-11.2176.5-63.7-165.7-163.700114N318 K465 N516 R521N318-E518 WeakPolarHBondContact ND2-CG 3.5Å; N318-E518 PolarHBondContact ND2-OE1 2.94Å; K465-E518 WeakPolarHBondContact CB-O 3.39Å; K465-E518 WeakPolarHBondContact CG-O 3.46Å; N516-E518 PolarHBondContact O-N 2.88Å; N516-E518 WeakPolarHBondContact OD1-CB 3.27Å; N516-E518 PolarHBondContact OD1-N 3.29Å; E518-R521 WeakPolarHBondContact O-CD 3.28Å; E518-R521 IonicContact OE2-NH1 2.67Å
519G90Very high79.5Confident4 Ų442.9 Ų42.94%0.04122%0.218CC..  trans65-173.1-174.200000114.1N516N516-G519 PolarHBondContact ND2-O 2.52Å; N516-G519 VanDerWaalsContact ND2-O 3.1Å; N516-G519 PolarHBondContact O-N 3.24Å; N516-G519 VanDerWaalsContact O-N 3.1Å
520I94.3Very high81Confident2 Ų238.7 Ų38.71%0.0119%0.192CC..SBendtrans-75.2132.5178.4-65.2167.6000109.7F462 K465 C466 L471 F507 L526 V548 L562F462-I520 HydrophobicContact CE2-CB 4.28Å; F462-I520 HydrophobicContact CE2-CG2 3.9Å; F462-I520 HydrophobicContact CZ-CG2 4.18Å; K465-I520 WeakPolarHBondContact CA-O 3.08Å; K465-I520 PolarHBondContact N-O 2.85Å; C466-I520 PolarHBondContact O-N 3.25Å; L471-I520 HydrophobicContact CD1-CD1 3.83Å; F507-I520 HydrophobicContact CD1-CD1 4.29Å; F507-I520 HydrophobicContact CE1-CD1 3.55Å; F507-I520 HydrophobicContact CZ-CD1 4.13Å; I520-L526 HydrophobicContact CD1-CD1 3.89Å; I520-L526 HydrophobicContact CG1-CD1 4.01Å; I520-L526 HydrophobicContact CG2-CD1 4.06Å; I520-V548 HydrophobicContact CG2-CB 4.45Å; I520-V548 HydrophobicContact CG2-CG1 3.89Å; I520-V548 HydrophobicContact CG2-CG2 3.84Å; I520-L562 HydrophobicContact CG2-CD1 4.3Å; I520-L562 WeakPolarHBondContact O-CD1 3.5Å
521R94.7Very high82.9Confident62 Ų6234.3 Ų34.323%0.23417%0.169CC..  trans-124159-176.1-53.1-59-61.9-68.7-8.4110.7I322 D464 E518 M524 V548I322-R521 HydrophobicContact CD1-CB 4.21Å; I322-R521 HydrophobicContact CD1-CG 4.31Å; I322-R521 HydrophobicContact CG1-CB 4.37Å; D464-R521 WeakPolarHBondContact OD1-CD 3.27Å; D464-R521 IonicContact OD1-NE 2.73Å; D464-R521 PolarHBondContact OD1-NE 2.93Å; D464-R521 VanDerWaalsContact OD1-NE 3.14Å; D464-R521 IonicContact OD2-NE 2.59Å; D464-R521 PolarHBondContact OD2-NE 3.3Å; E518-R521 WeakPolarHBondContact O-CD 3.28Å; E518-R521 IonicContact OE2-NH1 2.67Å; R521-M524 HydrophobicContact CB-CE 3.87Å; R521-M524 HydrophobicContact CB-CG 4.41Å; R521-M524 HydrophobicContact CB-SD 4.13Å; R521-M524 HydrophobicContact CG-CE 3.75Å; R521-M524 HydrophobicContact CG-SD 4.44Å; R521-M524 PolarHBondContact N-SD 2.93Å; R521-M524 WeakPolarHBondContact O-CG 3.19Å; R521-M524 PolarHBondContact O-N 2.83Å; R521-V548 WeakPolarHBondContact O-CB 3.31Å; R521-V548 VanDerWaalsContact O-CG1 3.27Å; R521-V548 WeakPolarHBondContact O-CG1 3.48Å
522P96Very high85.2Confident32 Ų3233.8 Ų33.821%0.20817%0.165CC..THydrogen-bonded Turntrans-49.9151.1166.6-2330.4000112D464 M524 L562D464-P522 WeakPolarHBondContact OD1-CD 3.33Å; P522-M524 PolarHBondContact O-N 2.98Å; P522-L562 HydrophobicContact CB-CD2 4.5Å; P522-L562 HydrophobicContact CG-CD2 3.58Å
523N97.5Very high87.3Confident42 Ų4226 Ų2623%0.22514%0.135CC..THydrogen-bonded Turntrans66.19.3177.2-58.61.8000115.3I322 K323 I328 V548I322-N523 HydrophobicContact CG2-CB 4.09Å; K323-N523 WeakPolarHBondContact CB-O 3.48Å; K323-N523 PolarHBondContact N-O 2.88Å; K323-N523 VanDerWaalsContact O-CB 3.26Å; K323-N523 WeakPolarHBondContact O-CB 3.48Å; K323-N523 PolarHBondContact O-ND2 3.24Å; I328-N523 HydrophobicContact CD1-CB 3.74Å; I328-N523 WeakPolarHBondContact CD1-ND2 3.11Å; N523-V548 PolarHBondContact N-O 3.24Å
524M97.4Very high89.4Confident2 Ų228.2 Ų28.21%0.0114%0.142CC..BIsolated β-bridgetrans-74.5148.9163.2-68.4-178.2169.100110.2A321 I322 S505 R521 P522 L526 V548A321-M524 HydrophobicContact CB-CE 4.1Å; A321-M524 WeakPolarHBondContact O-CG 3.23Å; I322-M524 HydrophobicContact CG1-CE 3.92Å; I322-M524 HydrophobicContact CG1-CG 4.31Å; S505-M524 WeakPolarHBondContact OG-CE 3.16Å; S505-M524 PolarHBondContact OG-SD 2.83Å; R521-M524 HydrophobicContact CB-CE 3.87Å; R521-M524 HydrophobicContact CB-CG 4.41Å; R521-M524 HydrophobicContact CB-SD 4.13Å; R521-M524 HydrophobicContact CG-CE 3.75Å; R521-M524 HydrophobicContact CG-SD 4.44Å; R521-M524 PolarHBondContact N-SD 2.93Å; R521-M524 WeakPolarHBondContact O-CG 3.19Å; R521-M524 PolarHBondContact O-N 2.83Å; P522-M524 PolarHBondContact O-N 2.98Å; M524-L526 HydrophobicContact CB-CG 4.5Å; M524-V548 HydrophobicContact CB-CB 4.4Å; M524-V548 HydrophobicContact CB-CG2 4.06Å; M524-V548 WeakPolarHBondContact O-CG2 3.45Å; M524-V548 PolarHBondContact O-N 3.23Å
525V98.2Very high91.5Very high2 Ų233 Ų331%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-112.7121171.3179.80000108.1K323 M331 G493 V494 A545 Y546 L547 L567K323-V525 HydrophobicContact CD-CG2 4.37Å; K323-V525 HydrophobicContact CG-CG2 4.48Å; M331-V525 HydrophobicContact CE-CB 4.11Å; M331-V525 HydrophobicContact CE-CG1 3.87Å; M331-V525 HydrophobicContact CE-CG2 4.05Å; M331-V525 HydrophobicContact SD-CB 4.47Å; M331-V525 HydrophobicContact SD-CG2 3.85Å; G493-V525 CarbonylContact C-O 3.54Å; G493-V525 VanDerWaalsContact CA-O 3.26Å; G493-V525 WeakPolarHBondContact CA-O 3.48Å; V494-V525 HydrophobicContact CB-CG1 4Å; V494-V525 HydrophobicContact CG2-CG1 4.38Å; V494-V525 PolarHBondContact N-O 2.94Å; V525-A545 HydrophobicContact CG1-CB 4.46Å; V525-Y546 CarbonylContact C-O 3.44Å; V525-Y546 VanDerWaalsContact CA-O 3.29Å; V525-Y546 WeakPolarHBondContact CA-O 3.47Å; V525-L547 HydrophobicContact CG2-CD1 4.18Å; V525-L567 HydrophobicContact CG1-CD1 3.63Å; V525-L567 HydrophobicContact CG2-CD1 4.07Å
526L97.6Very high93.2Very high2 Ų231.3 Ų31.31%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-131.2145.9-175.2-54.4176.7000111H492 F507 I520 M524 Y546 V548 F564H492-L526 CarbonylContact O-C 3.17Å; H492-L526 WeakPolarHBondContact O-CA 3.34Å; F507-L526 HydrophobicContact CE1-CD1 4.36Å; F507-L526 HydrophobicContact CE2-CB 3.89Å; F507-L526 HydrophobicContact CE2-CD1 3.98Å; F507-L526 HydrophobicContact CZ-CB 4.26Å; F507-L526 HydrophobicContact CZ-CD1 3.59Å; I520-L526 HydrophobicContact CD1-CD1 3.89Å; I520-L526 HydrophobicContact CG1-CD1 4.01Å; I520-L526 HydrophobicContact CG2-CD1 4.06Å; M524-L526 HydrophobicContact CB-CG 4.5Å; L526-Y546 PolarHBondContact N-O 3.11Å; L526-Y546 PolarHBondContact O-N 3.48Å; L526-V548 HydrophobicContact CD1-CG2 3.98Å; L526-V548 HydrophobicContact CG-CG2 4.26Å; L526-F564 HydrophobicContact CD1-CE1 4.34Å
527T98.4Very high94.5Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-83.5151.2168.859.60000111.6D429 G491 H492 V494 F507 E543 N544D429-T527 HydrophobicContact CB-CG2 4.11Å; G491-T527 WeakPolarHBondContact CA-O 3.37Å; G491-T527 VanDerWaalsContact CA-OG1 3.31Å; G491-T527 WeakPolarHBondContact CA-OG1 3.08Å; H492-T527 PolarHBondContact CD2-OG1 3.17Å; H492-T527 WeakPolarHBondContact CE1-CG2 3.17Å; H492-T527 PolarHBondContact CE1-OG1 3.29Å; H492-T527 PolarHBondContact N-OG1 3.09Å; H492-T527 PolarHBondContact NE2-OG1 2.77Å; H492-T527 VanDerWaalsContact NE2-OG1 3.09Å; H492-T527 PolarHBondContact O-N 3.19Å; H492-T527 PolarHBondContact O-OG1 2.87Å; V494-T527 HydrophobicContact CG2-CG2 3.72Å; F507-T527 WeakPolarHBondContact CD2-O 3.33Å; F507-T527 WeakPolarHBondContact CE2-O 3.49Å; T527-E543 WeakPolarHBondContact CG2-OE1 3.43Å; T527-N544 CarbonylContact C-O 3.56Å; T527-N544 WeakPolarHBondContact CA-O 3.31Å
528I98.6Very high95.9Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-125.9107.5163.8-62.4172.2000106.6H454 L457 A458 T490 F507 E543 N544 Y546 F564H454-I528 PolarHBondContact CE1-O 2.78Å; H454-I528 VanDerWaalsContact CE1-O 3.27Å; H454-I528 PolarHBondContact ND1-O 3.11Å; H454-I528 VanDerWaalsContact ND1-O 3.1Å; L457-I528 HydrophobicContact CB-CD1 4.22Å; L457-I528 HydrophobicContact CB-CG2 4.26Å; L457-I528 HydrophobicContact CD2-CD1 4.13Å; L457-I528 HydrophobicContact CD2-CG1 3.94Å; L457-I528 HydrophobicContact CD2-CG2 4.06Å; L457-I528 HydrophobicContact CG-CD1 3.76Å; L457-I528 HydrophobicContact CG-CG1 4.15Å; L457-I528 HydrophobicContact CG-CG2 4.42Å; A458-I528 HydrophobicContact CB-CD1 3.86Å; T490-I528 HydrophobicContact CG2-CG2 4.37Å; T490-I528 WeakPolarHBondContact O-CA 3.29Å; F507-I528 HydrophobicContact CE2-CG1 4.07Å; I528-E543 VanDerWaalsContact O-CA 3.28Å; I528-E543 WeakPolarHBondContact O-CA 3.14Å; I528-N544 PolarHBondContact N-O 2.99Å; I528-N544 PolarHBondContact O-N 3.43Å; I528-Y546 HydrophobicContact CB-CD2 4.09Å; I528-Y546 HydrophobicContact CB-CE2 3.87Å; I528-Y546 HydrophobicContact CD1-CD2 3.66Å; I528-Y546 HydrophobicContact CD1-CE2 3.75Å; I528-Y546 HydrophobicContact CD1-CG 4.29Å; I528-Y546 HydrophobicContact CG1-CD2 3.82Å; I528-Y546 HydrophobicContact CG1-CE2 4.02Å; I528-F564 HydrophobicContact CD1-CD2 4.24Å; I528-F564 HydrophobicContact CD1-CE2 4.33Å; I528-F564 HydrophobicContact CD1-CG 4.42Å
529E98.3Very high96.5Very high23 Ų2328.2 Ų28.211%0.10714%0.139CC..  trans-134.546.5-165.356.2156.5150.400114H488 T490 H492 R541 I542 E543H488-E529 PolarHBondContact CE1-O 2.85Å; H488-E529 VanDerWaalsContact CE1-O 3.3Å; T490-E529 WeakPolarHBondContact O-CG 3.21Å; T490-E529 PolarHBondContact O-N 2.91Å; H492-E529 IonicContact CD2-OE1 3.51Å; H492-E529 PolarHBondContact CD2-OE1 3.41Å; H492-E529 IonicContact NE2-OE1 3.59Å; H492-E529 PolarHBondContact NE2-OE1 2.87Å; E529-R541 HydrophobicContact CB-CG 4.38Å; E529-I542 WeakPolarHBondContact CA-O 3.22Å; E529-E543 HydrophobicContact CB-CB 3.54Å; E529-E543 HydrophobicContact CB-CG 3.65Å
530P98.2Very high97Very high0 Ų028 Ų280%014%0.137CC..  trans-58.5153.9176.627.9-34.9000111.5V450 H454 A475 Y486 R541 I542V450-P530 HydrophobicContact CG1-CB 4.3Å; V450-P530 HydrophobicContact CG1-CG 4.19Å; V450-P530 WeakPolarHBondContact CG1-O 3.1Å; H454-P530 HydrophobicContact CB-CG 3.68Å; A475-P530 HydrophobicContact CB-CB 4.21Å; A475-P530 HydrophobicContact CB-CG 4.48Å; Y486-P530 HydrophobicContact CE1-CB 4.03Å; P530-R541 WeakPolarHBondContact O-CA 3.34Å; P530-I542 PolarHBondContact O-N 3.49Å
531G97.9Very high97.2Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-147.4-179.7179.300000113.6L479 Y486 I540L479-G531 VanDerWaalsContact CD1-O 3.24Å; L479-G531 WeakPolarHBondContact CD1-O 3.34Å; Y486-G531 VanDerWaalsContact CB-O 3.31Å; Y486-G531 WeakPolarHBondContact CB-O 3.49Å; Y486-G531 WeakPolarHBondContact CD1-O 3.45Å; G531-I540 CarbonylContact C-O 3.51Å; G531-I540 WeakPolarHBondContact CA-O 3.49Å
532F98.2Very high97.4Very high12 Ų1225.1 Ų25.15%0.05313%0.126CC..EExtended strand (participates in β ladder)trans-153.4135.5168.3175.4-108.1000108.5F442 C446 V450 L479 L484 K534 F538 G539 I540F442-F532 HydrophobicContact CE1-CE1 4.46Å; F442-F532 HydrophobicContact CZ-CE1 4.21Å; F442-F532 HydrophobicContact CZ-CZ 4.43Å; C446-F532 HydrophobicContact CB-CD1 3.72Å; C446-F532 HydrophobicContact CB-CE1 4.23Å; C446-F532 WeakPolarHBondContact SG-CE1 3.46Å; V450-F532 HydrophobicContact CG2-CB 3.86Å; L479-F532 HydrophobicContact CD1-CB 4.47Å; L479-F532 HydrophobicContact CD2-CB 4.21Å; L479-F532 HydrophobicContact CD2-CD2 4.41Å; L479-F532 HydrophobicContact CD2-CG 4.41Å; L484-F532 HydrophobicContact CB-CD2 4.03Å; L484-F532 HydrophobicContact CB-CE2 3.79Å; L484-F532 HydrophobicContact CD1-CD2 4.34Å; L484-F532 HydrophobicContact CD1-CE1 4.45Å; L484-F532 HydrophobicContact CD1-CE2 4Å; L484-F532 HydrophobicContact CD1-CZ 4.05Å; L484-F532 HydrophobicContact CD2-CE2 3.74Å; L484-F532 HydrophobicContact CD2-CZ 3.83Å; L484-F532 HydrophobicContact CG-CE2 4.04Å; L484-F532 HydrophobicContact CG-CZ 4.37Å; F532-K534 HydrophobicContact CE1-CB 4.09Å; F532-K534 HydrophobicContact CZ-CB 4.45Å; F532-F538 HydrophobicContact CD1-CE2 4.05Å; F532-F538 HydrophobicContact CD1-CZ 4.48Å; F532-F538 HydrophobicContact CE1-CE2 4.17Å; F532-F538 HydrophobicContact CE1-CZ 4.17Å; F532-G539 CarbonylContact O-C 3.13Å; F532-G539 WeakPolarHBondContact O-CA 3.12Å; F532-I540 PolarHBondContact N-O 3.07Å; F532-I540 PolarHBondContact O-N 2.7Å
533Y97.5Very high97.5Very high20 Ų2023.6 Ų23.68%0.07812%0.116CC..EExtended strand (participates in β ladder)trans-130.6117.3-174.2-48-85.6000109.1A394 I397 H488 R541A394-Y533 WeakPolarHBondContact O-CD1 3.23Å; I397-Y533 HydrophobicContact CB-CE1 4.39Å; I397-Y533 HydrophobicContact CD1-CD2 3.72Å; I397-Y533 HydrophobicContact CD1-CE2 3.85Å; I397-Y533 HydrophobicContact CD1-CG 4.15Å; I397-Y533 HydrophobicContact CG1-CD1 3.74Å; I397-Y533 HydrophobicContact CG1-CD2 3.65Å; I397-Y533 HydrophobicContact CG1-CE1 3.78Å; I397-Y533 HydrophobicContact CG1-CE2 3.7Å; I397-Y533 HydrophobicContact CG1-CG 3.67Å; I397-Y533 HydrophobicContact CG2-CE1 4.4Å; I397-Y533 HydrophobicContact CG2-CE2 4.46Å; H488-Y533 AromaticContact CD2-CE2 3.55Å; H488-Y533 AromaticContact CD2-CZ 3.98Å; H488-Y533 AromaticContact NE2-CE2 3.23Å; H488-Y533 WeakPolarHBondContact NE2-CE2 3.45Å; H488-Y533 AromaticContact NE2-CZ 3.45Å; H488-Y533 PolarHBondContact NE2-OH 3.27Å; Y533-R541 PolarHBondContact OH-NH1 3.11Å
534K96.6Very high97.6Very high82 Ų8221.6 Ų21.636%0.35711%0.105SC..EExtended strand (participates in β ladder)trans-99.9102.8175-175.369.1179.3-177.90107.9S395 F532 N536 E537 F538S395-K534 VanDerWaalsContact CB-O 3.24Å; S395-K534 WeakPolarHBondContact CB-O 3.33Å; F532-K534 HydrophobicContact CE1-CB 4.09Å; F532-K534 HydrophobicContact CZ-CB 4.45Å; K534-N536 PolarHBondContact O-N 3.03Å; K534-E537 HydrophobicContact CB-CB 4.16Å; K534-E537 WeakPolarHBondContact CE-OE1 2.89Å; K534-E537 HydrophobicContact CG-CB 3.81Å; K534-E537 VanDerWaalsContact CG-CD 3.48Å; K534-E537 HydrophobicContact CG-CG 3.98Å; K534-E537 WeakPolarHBondContact CG-OE1 3.38Å; K534-E537 PolarHBondContact O-N 2.94Å; K534-F538 HydrophobicContact CB-CD1 4.19Å; K534-F538 HydrophobicContact CB-CE1 3.92Å; K534-F538 HydrophobicContact CB-CE2 4.35Å; K534-F538 HydrophobicContact CB-CZ 4.01Å; K534-F538 HydrophobicContact CG-CE1 4.27Å; K534-F538 PolarHBondContact N-O 2.78Å; K534-F538 PolarHBondContact O-N 2.97Å
535D92.7Very high97.7Very high102 Ų10221.5 Ų21.555%0.54511%0.105SC..THydrogen-bonded Turntrans-44.1124-175.2-78.41.5000112.7E537D535-E537 PolarHBondContact O-N 3.09Å
536N93.6Very high97.7Very high96 Ų9621.5 Ų21.551%0.51310%0.104SC..THydrogen-bonded Turntrans65.510.1179.4-46.9-69.4000115.9S392 S395 K534S392-N536 VanDerWaalsContact CB-C 3.48Å; S392-N536 WeakPolarHBondContact CB-O 3.29Å; S395-N536 PolarHBondContact OG-N 3.15Å; K534-N536 PolarHBondContact O-N 3.03Å
537E96Very high97.7Very high105 Ų10521.6 Ų21.649%0.49111%0.105SC..THydrogen-bonded Turntrans-116.9-65.7177.7-63.2-177.6-121.100111.3G391 S392 K534 D535G391-E537 CarbonylContact C-O 3.52Å; S392-E537 VanDerWaalsContact CA-O 3.24Å; S392-E537 WeakPolarHBondContact CA-O 3.25Å; S392-E537 PolarHBondContact N-O 3.2Å; K534-E537 HydrophobicContact CB-CB 4.16Å; K534-E537 WeakPolarHBondContact CE-OE1 2.89Å; K534-E537 HydrophobicContact CG-CB 3.81Å; K534-E537 VanDerWaalsContact CG-CD 3.48Å; K534-E537 HydrophobicContact CG-CG 3.98Å; K534-E537 WeakPolarHBondContact CG-OE1 3.38Å; K534-E537 PolarHBondContact O-N 2.94Å; D535-E537 PolarHBondContact O-N 3.09Å
538F97.6Very high97.7Very high5 Ų521.6 Ų21.62%0.02211%0.105CC..EExtended strand (participates in β ladder)trans-160169.7-178.264.1-93.5000111.8G391 S395 L414 F442 E443 C446 F532 K534 I540G391-F538 WeakPolarHBondContact O-CA 3.39Å; S395-F538 WeakPolarHBondContact CB-O 3.4Å; L414-F538 HydrophobicContact CB-CB 4.48Å; L414-F538 HydrophobicContact CD1-CB 3.91Å; L414-F538 HydrophobicContact CD1-CD2 3.67Å; L414-F538 HydrophobicContact CD1-CE2 4.42Å; L414-F538 HydrophobicContact CD1-CG 3.89Å; F442-F538 AromaticContact CD1-CE1 3.96Å; F442-F538 HydrophobicContact CD1-CE1 3.96Å; F442-F538 AromaticContact CD1-CZ 3.87Å; F442-F538 HydrophobicContact CD1-CZ 3.87Å; F442-F538 AromaticContact CE1-CE1 3.97Å; F442-F538 HydrophobicContact CE1-CE1 3.97Å; F442-F538 AromaticContact CE1-CZ 3.71Å; F442-F538 HydrophobicContact CE1-CZ 3.71Å; E443-F538 HydrophobicContact CG-CD1 3.84Å; E443-F538 HydrophobicContact CG-CD2 4.4Å; E443-F538 HydrophobicContact CG-CE1 3.7Å; E443-F538 HydrophobicContact CG-CE2 4.28Å; E443-F538 HydrophobicContact CG-CG 4.2Å; E443-F538 HydrophobicContact CG-CZ 3.93Å; C446-F538 HydrophobicContact CB-CE2 4.36Å; F532-F538 HydrophobicContact CD1-CE2 4.05Å; F532-F538 HydrophobicContact CD1-CZ 4.48Å; F532-F538 HydrophobicContact CE1-CE2 4.17Å; F532-F538 HydrophobicContact CE1-CZ 4.17Å; K534-F538 HydrophobicContact CB-CD1 4.19Å; K534-F538 HydrophobicContact CB-CE1 3.92Å; K534-F538 HydrophobicContact CB-CE2 4.35Å; K534-F538 HydrophobicContact CB-CZ 4.01Å; K534-F538 HydrophobicContact CG-CE1 4.27Å; K534-F538 PolarHBondContact N-O 2.78Å; K534-F538 PolarHBondContact O-N 2.97Å; F538-I540 HydrophobicContact CD2-CD1 4.07Å; F538-I540 HydrophobicContact CD2-CG1 4.09Å; F538-I540 HydrophobicContact CE2-CD1 3.75Å; F538-I540 HydrophobicContact CE2-CG1 4.25Å
539G98.1Very high97.6Very high0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-140.8152.1168.300000111.2A394 F532A394-G539 WeakPolarHBondContact O-CA 3.26Å; F532-G539 CarbonylContact O-C 3.13Å; F532-G539 WeakPolarHBondContact O-CA 3.12Å
540I98.8Very high97.5Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-132.7134.1180-61.2163.7000107.4L414 T433 C446 Y447 V450 G531 F532 F538L414-I540 HydrophobicContact CD1-CD1 4.18Å; L414-I540 HydrophobicContact CD1-CG1 3.92Å; T433-I540 HydrophobicContact CG2-CB 4.4Å; T433-I540 HydrophobicContact CG2-CG1 4.08Å; T433-I540 HydrophobicContact CG2-CG2 4.37Å; C446-I540 HydrophobicContact CB-CD1 3.75Å; Y447-I540 HydrophobicContact CD2-CG2 3.72Å; Y447-I540 HydrophobicContact CE2-CG2 4.41Å; Y447-I540 HydrophobicContact CG-CG2 4.45Å; V450-I540 HydrophobicContact CB-CG2 4.22Å; V450-I540 HydrophobicContact CG1-CG2 4.2Å; V450-I540 HydrophobicContact CG2-CG2 4.17Å; G531-I540 CarbonylContact C-O 3.51Å; G531-I540 WeakPolarHBondContact CA-O 3.49Å; F532-I540 PolarHBondContact N-O 3.07Å; F532-I540 PolarHBondContact O-N 2.7Å; F538-I540 HydrophobicContact CD2-CD1 4.07Å; F538-I540 HydrophobicContact CD2-CG1 4.09Å; F538-I540 HydrophobicContact CE2-CD1 3.75Å; F538-I540 HydrophobicContact CE2-CG1 4.25Å
541R98.8Very high97.2Very high3 Ų328.8 Ų28.81%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-145.3142.8165.4177.2169.361.9-105.110.5109.1L416 D418 T431 T433 E529 P530 Y533L416-R541 HydrophobicContact CD1-CB 4.05Å; D418-R541 VanDerWaalsContact CG-NH2 3.29Å; D418-R541 IonicContact OD2-CZ 3.45Å; D418-R541 IonicContact OD2-NE 2.84Å; D418-R541 PolarHBondContact OD2-NE 3.02Å; D418-R541 IonicContact OD2-NH2 2.8Å; D418-R541 PolarHBondContact OD2-NH2 2.68Å; T431-R541 HydrophobicContact CG2-CB 3.7Å; T431-R541 HydrophobicContact CG2-CG 3.83Å; T431-R541 PolarHBondContact OG1-NE 2.89Å; T433-R541 PolarHBondContact OG1-N 2.82Å; T433-R541 PolarHBondContact OG1-O 2.58Å; E529-R541 HydrophobicContact CB-CG 4.38Å; P530-R541 WeakPolarHBondContact O-CA 3.34Å; Y533-R541 PolarHBondContact OH-NH1 3.11Å
542I98.9Very high96.4Very high0 Ų034.1 Ų34.10%019%0.189CC..  trans-129.8110.8176.8-58.6177000107.2Y447 V450 L451 H454 E529 P530 I572Y447-I542 HydrophobicContact CD1-CD1 4.46Å; Y447-I542 HydrophobicContact CD2-CD1 4.41Å; Y447-I542 HydrophobicContact CE1-CD1 3.99Å; Y447-I542 HydrophobicContact CE2-CD1 3.95Å; Y447-I542 HydrophobicContact CE2-CG1 4.28Å; V450-I542 HydrophobicContact CG1-CB 4.26Å; V450-I542 HydrophobicContact CG1-CD1 4.13Å; V450-I542 HydrophobicContact CG1-CG1 4.02Å; L451-I542 HydrophobicContact CB-CD1 3.75Å; L451-I542 HydrophobicContact CD1-CD1 4.1Å; L451-I542 HydrophobicContact CG-CD1 4.46Å; H454-I542 PolarHBondContact ND1-O 3.37Å; E529-I542 WeakPolarHBondContact CA-O 3.22Å; P530-I542 PolarHBondContact O-N 3.49Å; I542-I572 HydrophobicContact CD1-CG2 4.48Å; I542-I572 HydrophobicContact CG2-CD1 4.07Å; I542-I572 HydrophobicContact CG2-CG1 4.41Å
543E98.9Very high95Very high0 Ų036.4 Ų36.40%021%0.211CC..  trans-128.5136.9-171.7168.6174.9-142.700112.8T431 R432 H492 T527 I528 E529T431-E543 PolarHBondContact N-OE2 3.36Å; T431-E543 PolarHBondContact O-N 2.9Å; T431-E543 VanDerWaalsContact O-N 3.17Å; T431-E543 PolarHBondContact OG1-OE2 3.23Å; R432-E543 PolarHBondContact NH1-O 2.98Å; H492-E543 IonicContact NE2-OE1 3.49Å; T527-E543 WeakPolarHBondContact CG2-OE1 3.43Å; I528-E543 VanDerWaalsContact O-CA 3.28Å; I528-E543 WeakPolarHBondContact O-CA 3.14Å; E529-E543 HydrophobicContact CB-CB 3.54Å; E529-E543 HydrophobicContact CB-CG 3.65Å
544N98.9Very high92.8Very high0 Ų040.5 Ų40.50%025%0.249CC..EExtended strand (participates in β ladder)trans-136.9147.2168-76.7-17.4000109.1R432 T527 I528 Y546 T568R432-N544 PolarHBondContact NH1-OD1 3.37Å; R432-N544 PolarHBondContact NH2-OD1 2.96Å; T527-N544 CarbonylContact C-O 3.56Å; T527-N544 WeakPolarHBondContact CA-O 3.31Å; I528-N544 PolarHBondContact N-O 2.99Å; I528-N544 PolarHBondContact O-N 3.43Å; N544-Y546 HydrophobicContact CB-CD2 4.09Å; N544-Y546 HydrophobicContact CB-CE2 3.35Å; N544-Y546 PolarHBondContact ND2-OH 2.83Å; N544-Y546 VanDerWaalsContact ND2-OH 3.13Å; N544-Y546 WeakPolarHBondContact O-CD2 3.42Å; N544-Y546 WeakPolarHBondContact O-CE2 3.39Å; N544-T568 HydrophobicContact CB-CG2 4.46Å; N544-T568 WeakPolarHBondContact OD1-CB 3.39Å; N544-T568 WeakPolarHBondContact OD1-CG2 3.27Å
545A98.9Very high90.8Very high0 Ų038.5 Ų38.50%025%0.245CC..EExtended strand (participates in β ladder)trans-81.3142.1160.900000110.6H335 V525 L567 T568H335-A545 VanDerWaalsContact NE2-CB 3.3Å; H335-A545 WeakPolarHBondContact NE2-CB 3.48Å; V525-A545 HydrophobicContact CG1-CB 4.46Å; A545-L567 HydrophobicContact CB-CB 4.41Å; A545-L567 PolarHBondContact O-N 3.01Å; A545-T568 PolarHBondContact N-OG1 3.44Å; A545-T568 PolarHBondContact O-N 3.03Å
546Y98.9Very high89.6Confident1 Ų139.4 Ų39.40%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-132.2138.5-177.5-71.2-88.6000111.6H454 A458 V525 L526 I528 N544 F564 E565 P566H454-Y546 AromaticContact NE2-CZ 3.89Å; H454-Y546 PolarHBondContact NE2-OH 3.44Å; A458-Y546 HydrophobicContact CB-CE1 3.98Å; A458-Y546 HydrophobicContact CB-CE2 4.28Å; V525-Y546 CarbonylContact C-O 3.44Å; V525-Y546 VanDerWaalsContact CA-O 3.29Å; V525-Y546 WeakPolarHBondContact CA-O 3.47Å; L526-Y546 PolarHBondContact N-O 3.11Å; L526-Y546 PolarHBondContact O-N 3.48Å; I528-Y546 HydrophobicContact CB-CD2 4.09Å; I528-Y546 HydrophobicContact CB-CE2 3.87Å; I528-Y546 HydrophobicContact CD1-CD2 3.66Å; I528-Y546 HydrophobicContact CD1-CE2 3.75Å; I528-Y546 HydrophobicContact CD1-CG 4.29Å; I528-Y546 HydrophobicContact CG1-CD2 3.82Å; I528-Y546 HydrophobicContact CG1-CE2 4.02Å; N544-Y546 HydrophobicContact CB-CD2 4.09Å; N544-Y546 HydrophobicContact CB-CE2 3.35Å; N544-Y546 PolarHBondContact ND2-OH 2.83Å; N544-Y546 VanDerWaalsContact ND2-OH 3.13Å; N544-Y546 WeakPolarHBondContact O-CD2 3.42Å; N544-Y546 WeakPolarHBondContact O-CE2 3.39Å; Y546-F564 HydrophobicContact CD1-CB 3.63Å; Y546-F564 HydrophobicContact CE1-CB 4.42Å; Y546-F564 HydrophobicContact CG-CB 4.01Å; Y546-F564 HydrophobicContact CG-CD1 4.47Å; Y546-F564 HydrophobicContact CG-CG 4.48Å; Y546-E565 CarbonylContact C-O 3.53Å; Y546-E565 VanDerWaalsContact CA-O 3.3Å; Y546-E565 WeakPolarHBondContact CA-O 3.41Å; Y546-P566 VanDerWaalsContact CD1-CA 3.44Å; Y546-P566 HydrophobicContact CD1-CB 4.02Å; Y546-P566 HydrophobicContact CE1-CB 3.62Å; Y546-P566 HydrophobicContact CE1-CG 4.38Å
547L98.7Very high88.3Confident5 Ų536.9 Ų36.93%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-84128.7165.1178.767.8000109.7I328 V525 K549 E565 L567I328-L547 HydrophobicContact CD1-CD1 4.28Å; I328-L547 HydrophobicContact CG1-CD1 4.09Å; I328-L547 HydrophobicContact CG2-CD1 4.23Å; I328-L547 HydrophobicContact CG2-CD2 3.66Å; V525-L547 HydrophobicContact CG2-CD1 4.18Å; L547-K549 HydrophobicContact CD2-CD 4.15Å; L547-K549 HydrophobicContact CD2-CG 4.07Å; L547-K549 HydrophobicContact CG-CG 4.18Å; L547-E565 HydrophobicContact CB-CB 4.44Å; L547-E565 PolarHBondContact N-O 3.43Å; L547-E565 PolarHBondContact O-N 2.92Å; L547-L567 HydrophobicContact CB-CD2 4.11Å; L547-L567 HydrophobicContact CB-CG 4.26Å
548V98.2Very high87.3Confident0 Ų040.3 Ų40.30%028%0.278CS..EExtended strand (participates in β ladder)trans-78.8125.2171.7-176.10000109.5F462 I520 R521 N523 M524 L526 L562 F564F462-V548 HydrophobicContact CZ-CG1 4.39Å; I520-V548 HydrophobicContact CG2-CB 4.45Å; I520-V548 HydrophobicContact CG2-CG1 3.89Å; I520-V548 HydrophobicContact CG2-CG2 3.84Å; R521-V548 WeakPolarHBondContact O-CB 3.31Å; R521-V548 VanDerWaalsContact O-CG1 3.27Å; R521-V548 WeakPolarHBondContact O-CG1 3.48Å; N523-V548 PolarHBondContact N-O 3.24Å; M524-V548 HydrophobicContact CB-CB 4.4Å; M524-V548 HydrophobicContact CB-CG2 4.06Å; M524-V548 WeakPolarHBondContact O-CG2 3.45Å; M524-V548 PolarHBondContact O-N 3.23Å; L526-V548 HydrophobicContact CD1-CG2 3.98Å; L526-V548 HydrophobicContact CG-CG2 4.26Å; V548-L562 HydrophobicContact CG1-CB 4.08Å; V548-L562 HydrophobicContact CG1-CD1 3.83Å; V548-L562 HydrophobicContact CG1-CD2 4.49Å; V548-L562 HydrophobicContact CG1-CG 4.36Å; V548-F564 HydrophobicContact CG2-CD1 4.09Å; V548-F564 HydrophobicContact CG2-CE1 3.83Å
549K96.8Very high86.7Confident80 Ų8044.8 Ų44.835%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-126.8157-179.1-83.4178.643.6170.80112.2L547 A551 L562 C563 E565L547-K549 HydrophobicContact CD2-CD 4.15Å; L547-K549 HydrophobicContact CD2-CG 4.07Å; L547-K549 HydrophobicContact CG-CG 4.18Å; K549-A551 PolarHBondContact O-N 3.19Å; K549-L562 CarbonylContact O-C 3.5Å; K549-L562 WeakPolarHBondContact O-CA 3.37Å; K549-C563 PolarHBondContact N-O 3.45Å; K549-C563 PolarHBondContact O-N 3.4Å; K549-E565 HydrophobicContact CD-CB 3.88Å; K549-E565 WeakPolarHBondContact CD-OE2 3.38Å; K549-E565 WeakPolarHBondContact CE-OE2 3.42Å; K549-E565 IonicContact NZ-OE2 3.59Å; K549-E565 PolarHBondContact NZ-OE2 3.43Å
550T95.2Very high86.3Confident81 Ų8148.4 Ų48.450%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-65.6128.4163.9-53.20000109.6V560 R561T550-V560 HydrophobicContact CG2-CG1 4.11Å; T550-R561 CarbonylContact C-O 3.38Å; T550-R561 WeakPolarHBondContact CA-O 3.45Å
551A92.6Very high86.1Confident13 Ų1351.9 Ų51.911%0.10734%0.337CS..  trans-73.9131.417700000110.1I461 K549 A553 R561 C563I461-A551 HydrophobicContact CG2-CB 4.05Å; K549-A551 PolarHBondContact O-N 3.19Å; A551-A553 PolarHBondContact O-N 3.44Å; A551-R561 HydrophobicContact CB-CB 4.1Å; A551-R561 PolarHBondContact N-O 2.96Å; A551-C563 HydrophobicContact CB-CB 4.1Å
552A81.1Confident85.9Confident111 Ų11151.8 Ų51.892%0.91734%0.337SS*.  trans-72.9-11.8-178.700000114A554A552-A554 PolarHBondContact O-N 2.66Å
553A67.4Low85.8Confident61 Ų6153.2 Ų53.250%0.50435%0.347SS..SBendtrans-68.3128.3-176.400000110.9A551 S555A551-A553 PolarHBondContact O-N 3.44Å; A553-S555 PolarHBondContact O-N 3.21Å
554A52.7Low85.8Confident106 Ų10654.2 Ų54.288%0.87635%0.351SS*.  trans-59.8102.6172.300000109.2A552A552-A554 PolarHBondContact O-N 2.66Å
555S55.2Low85.8Confident40 Ų4056.5 Ų56.528%0.2836%0.362SS..  trans-64.3143.1167.5167.20000108.3A553 S557A553-S555 PolarHBondContact O-N 3.21Å; S555-S557 CarbonylContact C-O 3.56Å; S555-S557 WeakPolarHBondContact CB-O 3.2Å; S555-S557 PolarHBondContact O-N 3.47Å; S555-S557 PolarHBondContact OG-N 3.05Å; S555-S557 VanDerWaalsContact OG-N 3.12Å; S555-S557 PolarHBondContact OG-O 2.78Å; S555-S557 PolarHBondContact OG-OG 3.05Å; S555-S557 VanDerWaalsContact OG-OG 3.04Å
556A66.2Low85.8Confident121 Ų12157.8 Ų57.8100%137%0.37SS*.SBendtrans-63.8-14.4171.300000112.1
557S67.3Low85.8Confident43 Ų4358.1 Ų58.130%0.30137%0.372SS..SBendtrans-113.2154.1168.864.90000110.7S555 D559S555-S557 CarbonylContact C-O 3.56Å; S555-S557 WeakPolarHBondContact CB-O 3.2Å; S555-S557 PolarHBondContact O-N 3.47Å; S555-S557 PolarHBondContact OG-N 3.05Å; S555-S557 VanDerWaalsContact OG-N 3.12Å; S555-S557 PolarHBondContact OG-O 2.78Å; S555-S557 PolarHBondContact OG-OG 3.05Å; S555-S557 VanDerWaalsContact OG-OG 3.04Å; S557-D559 WeakPolarHBondContact CB-OD2 3.33Å; S557-D559 PolarHBondContact O-N 2.8Å; S557-D559 WeakPolarHBondContact OG-CB 3.3Å; S557-D559 VanDerWaalsContact OG-CG 3.3Å; S557-D559 PolarHBondContact OG-OD2 2.97Å
558D74.9Confident85.8Confident177 Ų17758 Ų5895%0.94737%0.371SS*.SBendtrans-67.611.3173.6-65.4-39.3000113.9
559D84.9Confident85.8Confident98 Ų9858.4 Ų58.452%0.52437%0.373SS..  trans-73.7132.8-178.6-60.2-44000111.9S557 R561S557-D559 WeakPolarHBondContact CB-OD2 3.33Å; S557-D559 PolarHBondContact O-N 2.8Å; S557-D559 WeakPolarHBondContact OG-CB 3.3Å; S557-D559 VanDerWaalsContact OG-CG 3.3Å; S557-D559 PolarHBondContact OG-OD2 2.97Å; D559-R561 PolarHBondContact O-N 2.84Å; D559-R561 IonicContact OD2-NH2 3.3Å
560V89.1Confident85.9Confident77 Ų7754.6 Ų54.647%0.46736%0.357SS..  trans-62.6125.6173.9-179.10000110.1D464 T550 L562D464-V560 HydrophobicContact CB-CB 4.18Å; D464-V560 HydrophobicContact CB-CG1 4.14Å; D464-V560 PolarHBondContact N-O 2.73Å; T550-V560 HydrophobicContact CG2-CG1 4.11Å; V560-L562 HydrophobicContact CG1-CD2 4.25Å
561R94.1Very high86.1Confident73 Ų7351.1 Ų51.128%0.27534%0.336SS..EExtended strand (participates in β ladder)trans-111146.9173.3-59.3-60.5179.6180-6.4110.2I461 F462 T550 A551 D559I461-R561 HydrophobicContact CG2-CB 3.77Å; I461-R561 HydrophobicContact CG2-CG 4.29Å; F462-R561 CarbonylContact O-C 3.55Å; F462-R561 WeakPolarHBondContact O-CA 3.39Å; T550-R561 CarbonylContact C-O 3.38Å; T550-R561 WeakPolarHBondContact CA-O 3.45Å; A551-R561 HydrophobicContact CB-CB 4.1Å; A551-R561 PolarHBondContact N-O 2.96Å; D559-R561 PolarHBondContact O-N 2.84Å; D559-R561 IonicContact OD2-NH2 3.3Å
562L95.8Very high86.4Confident0 Ų050.5 Ų50.50%033%0.331CS..EExtended strand (participates in β ladder)trans-112.8154.4179.1-54-176.7000111I461 F462 D464 I520 P522 V548 K549 V560I461-L562 VanDerWaalsContact CA-O 3.32Å; I461-L562 WeakPolarHBondContact CA-O 3.43Å; F462-L562 HydrophobicContact CD2-CB 4.03Å; F462-L562 HydrophobicContact CD2-CD1 4.45Å; F462-L562 HydrophobicContact CE1-CB 4.15Å; F462-L562 HydrophobicContact CE2-CB 3.61Å; F462-L562 HydrophobicContact CE2-CD1 3.79Å; F462-L562 HydrophobicContact CE2-CG 4.25Å; F462-L562 HydrophobicContact CG-CB 4.49Å; F462-L562 HydrophobicContact CZ-CB 3.67Å; F462-L562 HydrophobicContact CZ-CD1 4.4Å; F462-L562 PolarHBondContact N-O 2.87Å; F462-L562 PolarHBondContact O-N 3.49Å; D464-L562 HydrophobicContact CB-CD1 4.33Å; D464-L562 HydrophobicContact CB-CD2 4.49Å; D464-L562 HydrophobicContact CB-CG 4.29Å; I520-L562 HydrophobicContact CG2-CD1 4.3Å; I520-L562 WeakPolarHBondContact O-CD1 3.5Å; P522-L562 HydrophobicContact CB-CD2 4.5Å; P522-L562 HydrophobicContact CG-CD2 3.58Å; V548-L562 HydrophobicContact CG1-CB 4.08Å; V548-L562 HydrophobicContact CG1-CD1 3.83Å; V548-L562 HydrophobicContact CG1-CD2 4.49Å; V548-L562 HydrophobicContact CG1-CG 4.36Å; K549-L562 CarbonylContact O-C 3.5Å; K549-L562 WeakPolarHBondContact O-CA 3.37Å; V560-L562 HydrophobicContact CG1-CD2 4.25Å
563C96.9Very high87.2Confident31 Ų3145.5 Ų45.521%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-144.4176.517164.20000110.1K549 A551K549-C563 PolarHBondContact N-O 3.45Å; K549-C563 PolarHBondContact O-N 3.4Å; A551-C563 HydrophobicContact CB-CB 4.1Å
564F98.1Very high88.6Confident20 Ų2044.5 Ų44.59%0.08827%0.273CS..EExtended strand (participates in β ladder)trans-109.3138.7178.2-62-72.9000111.8L457 F462 F507 L526 I528 Y546 V548L457-F564 HydrophobicContact CD1-CE2 4.19Å; L457-F564 HydrophobicContact CG-CE2 4.42Å; L457-F564 WeakPolarHBondContact O-CD2 3.49Å; L457-F564 WeakPolarHBondContact O-CE2 3.2Å; F462-F564 HydrophobicContact CD1-CE2 4.21Å; F462-F564 AromaticContact CE1-CD2 3.94Å; F462-F564 HydrophobicContact CE1-CD2 3.94Å; F462-F564 HydrophobicContact CE1-CE1 4.29Å; F462-F564 AromaticContact CE1-CE2 3.32Å; F462-F564 HydrophobicContact CE1-CE2 3.32Å; F462-F564 AromaticContact CE1-CZ 3.52Å; F462-F564 HydrophobicContact CE1-CZ 3.52Å; F462-F564 HydrophobicContact CZ-CE1 4.1Å; F462-F564 AromaticContact CZ-CE2 3.9Å; F462-F564 HydrophobicContact CZ-CE2 3.9Å; F462-F564 AromaticContact CZ-CZ 3.56Å; F462-F564 HydrophobicContact CZ-CZ 3.56Å; F507-F564 HydrophobicContact CE1-CZ 4.16Å; F507-F564 AromaticContact CZ-CE1 4Å; F507-F564 HydrophobicContact CZ-CE1 4Å; F507-F564 AromaticContact CZ-CZ 3.67Å; F507-F564 HydrophobicContact CZ-CZ 3.67Å; L526-F564 HydrophobicContact CD1-CE1 4.34Å; I528-F564 HydrophobicContact CD1-CD2 4.24Å; I528-F564 HydrophobicContact CD1-CE2 4.33Å; I528-F564 HydrophobicContact CD1-CG 4.42Å; Y546-F564 HydrophobicContact CD1-CB 3.63Å; Y546-F564 HydrophobicContact CE1-CB 4.42Å; Y546-F564 HydrophobicContact CG-CB 4.01Å; Y546-F564 HydrophobicContact CG-CD1 4.47Å; Y546-F564 HydrophobicContact CG-CG 4.48Å; V548-F564 HydrophobicContact CG2-CD1 4.09Å; V548-F564 HydrophobicContact CG2-CE1 3.83Å
565E98.3Very high90.6Very high48 Ų4843.6 Ų43.622%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-113.8122.9167.3173.7178.6139.900108.8K332 Y546 L547 K549 L567K332-E565 WeakPolarHBondContact CE-OE1 3.15Å; K332-E565 IonicContact NZ-OE1 3.49Å; K332-E565 PolarHBondContact NZ-OE1 3.23Å; Y546-E565 CarbonylContact C-O 3.53Å; Y546-E565 VanDerWaalsContact CA-O 3.3Å; Y546-E565 WeakPolarHBondContact CA-O 3.41Å; L547-E565 HydrophobicContact CB-CB 4.44Å; L547-E565 PolarHBondContact N-O 3.43Å; L547-E565 PolarHBondContact O-N 2.92Å; K549-E565 HydrophobicContact CD-CB 3.88Å; K549-E565 WeakPolarHBondContact CD-OE2 3.38Å; K549-E565 WeakPolarHBondContact CE-OE2 3.42Å; K549-E565 IonicContact NZ-OE2 3.59Å; K549-E565 PolarHBondContact NZ-OE2 3.43Å; E565-L567 PolarHBondContact O-N 3.38Å
566P98.7Very high92.6Very high27 Ų2741.7 Ų41.718%0.17524%0.236CC..EExtended strand (participates in β ladder)trans-64.9132.2-179.726.4-33.1000110.7Y546 L569 Y593 L596Y546-P566 VanDerWaalsContact CD1-CA 3.44Å; Y546-P566 HydrophobicContact CD1-CB 4.02Å; Y546-P566 HydrophobicContact CE1-CB 3.62Å; Y546-P566 HydrophobicContact CE1-CG 4.38Å; P566-L569 HydrophobicContact CB-CD2 4.35Å; P566-L569 HydrophobicContact CG-CD2 4.32Å; P566-Y593 HydrophobicContact CB-CD2 4.29Å; P566-Y593 HydrophobicContact CB-CE2 4.1Å; P566-Y593 HydrophobicContact CG-CD2 4.22Å; P566-Y593 HydrophobicContact CG-CE2 4.47Å; P566-L596 HydrophobicContact CG-CD2 3.83Å
567L98.9Very high94.1Very high8 Ų836.9 Ų36.94%0.04219%0.194CC..  trans-92.3-43.6166.1-62.6180000110.2K332 H335 V525 A545 L547 E565 L569K332-L567 HydrophobicContact CG-CD2 3.53Å; H335-L567 HydrophobicContact CB-CB 4Å; H335-L567 VanDerWaalsContact CB-O 3.23Å; H335-L567 WeakPolarHBondContact CB-O 3.34Å; V525-L567 HydrophobicContact CG1-CD1 3.63Å; V525-L567 HydrophobicContact CG2-CD1 4.07Å; A545-L567 HydrophobicContact CB-CB 4.41Å; A545-L567 PolarHBondContact O-N 3.01Å; L547-L567 HydrophobicContact CB-CD2 4.11Å; L547-L567 HydrophobicContact CB-CG 4.26Å; E565-L567 PolarHBondContact O-N 3.38Å; L567-L569 PolarHBondContact O-N 2.73Å
568T98.9Very high95.6Very high3 Ų336.1 Ų36.12%0.01819%0.186CC..  trans-68.6126173.1-530000110.3V430 N544 A545 V570 Y593V430-T568 HydrophobicContact CB-CG2 3.84Å; V430-T568 HydrophobicContact CG2-CG2 3.51Å; N544-T568 HydrophobicContact CB-CG2 4.46Å; N544-T568 WeakPolarHBondContact OD1-CB 3.39Å; N544-T568 WeakPolarHBondContact OD1-CG2 3.27Å; A545-T568 PolarHBondContact N-OG1 3.44Å; A545-T568 PolarHBondContact O-N 3.03Å; T568-V570 HydrophobicContact CG2-CB 4.4Å; T568-V570 HydrophobicContact CG2-CG2 4.1Å; T568-Y593 WeakPolarHBondContact O-CE2 3.48Å; T568-Y593 PolarHBondContact O-OH 3.27Å
569L98.9Very high96.6Very high8 Ų830.5 Ų30.54%0.04216%0.161CC..  trans-12761.4-177-62.9-178.2000111.3S339 P566 L567 Y593 L596 V600 V601S339-L569 PolarHBondContact OG-N 2.93Å; S339-L569 VanDerWaalsContact OG-N 3.07Å; P566-L569 HydrophobicContact CB-CD2 4.35Å; P566-L569 HydrophobicContact CG-CD2 4.32Å; L567-L569 PolarHBondContact O-N 2.73Å; L569-Y593 HydrophobicContact CD2-CE2 4.32Å; L569-L596 HydrophobicContact CD1-CG 4.31Å; L569-L596 HydrophobicContact CD2-CD2 3.55Å; L569-L596 HydrophobicContact CD2-CG 3.75Å; L569-V600 HydrophobicContact CD1-CB 3.68Å; L569-V600 HydrophobicContact CD1-CG1 3.77Å; L569-V600 HydrophobicContact CD1-CG2 4.02Å; L569-V601 HydrophobicContact CB-CG2 3.6Å; L569-V601 HydrophobicContact CD1-CG2 4.31Å; L569-V601 WeakPolarHBondContact O-CG2 3.47Å
570V98.9Very high97.1Very high0 Ų032.6 Ų32.60%017%0.167CC..  trans-116.7136.1-178.7178.80000110L342 F346 R432 T568 Y593L342-V570 HydrophobicContact CB-CG1 4.32Å; L342-V570 HydrophobicContact CB-CG2 3.89Å; L342-V570 HydrophobicContact CD1-CG2 3.77Å; L342-V570 HydrophobicContact CG-CG2 4.47Å; F346-V570 HydrophobicContact CD2-CG1 4.01Å; F346-V570 HydrophobicContact CE2-CG1 3.7Å; R432-V570 HydrophobicContact CG-CG1 4.02Å; R432-V570 PolarHBondContact NE-O 2.82Å; R432-V570 PolarHBondContact NH2-O 3.48Å; T568-V570 HydrophobicContact CG2-CB 4.4Å; T568-V570 HydrophobicContact CG2-CG2 4.1Å; V570-Y593 PolarHBondContact N-OH 2.97Å; V570-Y593 WeakPolarHBondContact O-CE1 3.45Å; V570-Y593 PolarHBondContact O-OH 2.86Å
571P98.7Very high97.5Very high8 Ų831.1 Ų31.15%0.05216%0.156CC..  trans-53.6149.2179.1-28.536.8000113.5R432 W616 L617 E620 T621R432-P571 VanDerWaalsContact CD-O 3.29Å; R432-P571 WeakPolarHBondContact CD-O 3.5Å; R432-P571 PolarHBondContact NE-O 2.99Å; P571-W616 HydrophobicContact CG-CH2 4.15Å; P571-W616 HydrophobicContact CG-CZ3 4.13Å; P571-L617 HydrophobicContact CG-CD1 3.35Å; P571-E620 HydrophobicContact CB-CB 3.97Å; P571-E620 HydrophobicContact CG-CB 4.22Å; P571-T621 HydrophobicContact CB-CG2 4.19Å; P571-T621 HydrophobicContact CG-CG2 3.78Å
572I98.8Very high97.7Very high0 Ų028.5 Ų28.50%015%0.148CC..  trans-108.5122.9172.3-65.5173000105.5Y447 L451 I542 Q574 W589 Y593 H594Y447-I572 HydrophobicContact CE1-CG2 4.29Å; Y447-I572 VanDerWaalsContact OH-CG2 3.26Å; Y447-I572 WeakPolarHBondContact OH-CG2 3.3Å; L451-I572 HydrophobicContact CD1-CD1 3.94Å; L451-I572 HydrophobicContact CD1-CG2 4.07Å; L451-I572 HydrophobicContact CD2-CG2 4.24Å; I542-I572 HydrophobicContact CD1-CG2 4.48Å; I542-I572 HydrophobicContact CG2-CD1 4.07Å; I542-I572 HydrophobicContact CG2-CG1 4.41Å; I572-Q574 PolarHBondContact O-N 3.06Å; I572-Q574 VanDerWaalsContact O-N 3.16Å; I572-W589 HydrophobicContact CD1-CZ3 4.42Å; I572-Y593 HydrophobicContact CD1-CD1 4.31Å; I572-Y593 HydrophobicContact CD1-CE1 4.03Å; I572-Y593 HydrophobicContact CG1-CE1 4.07Å; I572-H594 PolarHBondContact N-NE2 3.03Å; I572-H594 PolarHBondContact O-CE1 2.93Å; I572-H594 PolarHBondContact O-NE2 3.23Å
573Q97.9Very high97.8Very high6 Ų630.9 Ų30.93%0.02816%0.164CC..  trans-67.6114.8-164.8-170.3-178.668.500112.4M435 Y447 K575 L576M435-Q573 PolarHBondContact O-NE2 3.23Å; M435-Q573 PolarHBondContact O-OE1 3.49Å; Y447-Q573 PolarHBondContact OH-N 3.07Å; Q573-K575 HydrophobicContact CG-CG 3.86Å; Q573-K575 PolarHBondContact O-N 2.83Å; Q573-L576 PolarHBondContact O-N 3.05Å
574Q96.8Very high97.8Very high41 Ų4137.7 Ų37.719%0.19219%0.19CC..G310 helixtrans-70.8-32.1-168-58.7178.933.100113.7I572 L576 I577 E620 M622 I624I572-Q574 PolarHBondContact O-N 3.06Å; I572-Q574 VanDerWaalsContact O-N 3.16Å; Q574-L576 PolarHBondContact O-N 3.19Å; Q574-L576 VanDerWaalsContact O-N 3.12Å; Q574-I577 WeakPolarHBondContact O-CB 3.48Å; Q574-I577 PolarHBondContact O-N 3.47Å; Q574-E620 PolarHBondContact NE2-O 3.1Å; Q574-M622 VanDerWaalsContact CD-O 3.25Å; Q574-M622 PolarHBondContact NE2-O 2.79Å; Q574-M622 PolarHBondContact OE1-O 3.36Å; Q574-M622 VanDerWaalsContact OE1-O 3.05Å; Q574-I624 HydrophobicContact CB-CG2 4.1Å; Q574-I624 HydrophobicContact CG-CG2 3.94Å
575K95.2Very high97.8Very high86 Ų8644.5 Ų44.537%0.37422%0.222SC..G310 helixtrans-66.8-12.9-178.262.7178.8172.7-171.70114.8M435 F436 K444 Q573M435-K575 WeakPolarHBondContact O-CE 3.5Å; M435-K575 PolarHBondContact O-NZ 2.76Å; F436-K575 PolarHBondContact O-NZ 2.78Å; K444-K575 WeakPolarHBondContact CE-O 3.42Å; K444-K575 PolarHBondContact NZ-O 3.32Å; Q573-K575 HydrophobicContact CG-CG 3.86Å; Q573-K575 PolarHBondContact O-N 2.83Å
576L97.6Very high97.8Very high1 Ų142.9 Ų42.91%0.00522%0.215CC..G310 helixtrans-88-10.8172.5-70.6176.7000113.1L414 M435 A439 K444 Y447 Q573 Q574L414-L576 HydrophobicContact CD2-CD1 4.07Å; L414-L576 HydrophobicContact CD2-CD2 4.08Å; M435-L576 HydrophobicContact CB-CD1 4.41Å; M435-L576 HydrophobicContact CB-CD2 3.77Å; M435-L576 HydrophobicContact CB-CG 4.32Å; A439-L576 HydrophobicContact CB-CD2 3.52Å; K444-L576 HydrophobicContact CG-CD2 4.36Å; Y447-L576 HydrophobicContact CD1-CB 3.51Å; Y447-L576 HydrophobicContact CD2-CB 4.04Å; Y447-L576 HydrophobicContact CD2-CD1 3.66Å; Y447-L576 HydrophobicContact CD2-CG 4.45Å; Y447-L576 HydrophobicContact CE1-CB 3.67Å; Y447-L576 HydrophobicContact CE1-CD1 4.49Å; Y447-L576 HydrophobicContact CE2-CB 4.16Å; Y447-L576 HydrophobicContact CE2-CD1 3.51Å; Y447-L576 HydrophobicContact CE2-CG 4.49Å; Y447-L576 HydrophobicContact CG-CB 3.7Å; Y447-L576 HydrophobicContact CG-CD1 4.2Å; Q573-L576 PolarHBondContact O-N 3.05Å; Q574-L576 PolarHBondContact O-N 3.19Å; Q574-L576 VanDerWaalsContact O-N 3.12Å
577I98.1Very high97.8Very high20 Ų2042.5 Ų42.510%0.10321%0.211CC..  trans-88.1125.4-175-55.7176.7000110.2Y447 T448 L451 Q574 S579 L582 I590Y447-I577 HydrophobicContact CD1-CG1 4.35Å; Y447-I577 HydrophobicContact CE1-CG1 3.96Å; T448-I577 HydrophobicContact CG2-CG2 4.44Å; L451-I577 HydrophobicContact CD2-CD1 3.48Å; L451-I577 VanDerWaalsContact CD2-CD1 3.48Å; L451-I577 HydrophobicContact CD2-CG1 3.75Å; L451-I577 HydrophobicContact CD2-CG2 4.45Å; Q574-I577 WeakPolarHBondContact O-CB 3.48Å; Q574-I577 PolarHBondContact O-N 3.47Å; I577-S579 PolarHBondContact O-N 3.21Å; I577-L582 HydrophobicContact CG2-CD1 3.5Å; I577-L582 VanDerWaalsContact CG2-CD1 3.5Å; I577-L582 HydrophobicContact CG2-CG 4.16Å; I577-I590 HydrophobicContact CD1-CD1 4.31Å
578L97.5Very high97.7Very high26 Ų2646.4 Ų46.414%0.13623%0.232CC..  trans-85.990.8166.7-62.8-178.6000109.1K444 D445 T448 H580 L581K444-L578 HydrophobicContact CB-CD1 4.09Å; K444-L578 HydrophobicContact CB-CD2 3.9Å; K444-L578 HydrophobicContact CB-CG 3.8Å; K444-L578 HydrophobicContact CD-CD2 4.01Å; D445-L578 HydrophobicContact CB-CD1 4.13Å; T448-L578 HydrophobicContact CG2-CB 4.38Å; T448-L578 PolarHBondContact OG1-N 3.19Å; L578-H580 PolarHBondContact O-N 2.96Å; L578-L581 HydrophobicContact CB-CD1 3.95Å; L578-L581 HydrophobicContact CB-CG 4.02Å; L578-L581 HydrophobicContact CD1-CD1 3.89Å; L578-L581 WeakPolarHBondContact O-CB 3.3Å; L578-L581 PolarHBondContact O-N 3.46Å
579S95.8Very high97.7Very high60 Ų6048.3 Ų48.342%0.4224%0.239SC..G310 helixtrans-54.8-31-175.2580000113.8I577 L581 L582I577-S579 PolarHBondContact O-N 3.21Å; S579-L581 PolarHBondContact O-N 3.47Å; S579-L582 WeakPolarHBondContact O-CB 3.48Å; S579-L582 PolarHBondContact O-N 2.98Å
580H96.2Very high97.7Very high141 Ų14147.9 Ų47.965%0.65324%0.237SC*.G310 helixtrans-66.6-16.4177.270.7-91.8000114.4L578L578-H580 PolarHBondContact O-N 2.96Å
581L97.2Very high97.7Very high47 Ų4749 Ų4925%0.24624%0.242CC..G310 helixtrans-88.1-8.8172.2-59.8-177.9000112.6D445 T448 K452 L578 S579D445-L581 WeakPolarHBondContact OD1-CD1 3.45Å; T448-L581 HydrophobicContact CG2-CB 3.88Å; T448-L581 HydrophobicContact CG2-CD1 4.15Å; K452-L581 WeakPolarHBondContact CE-O 3.4Å; K452-L581 PolarHBondContact NZ-O 3.14Å; L578-L581 HydrophobicContact CB-CD1 3.95Å; L578-L581 HydrophobicContact CB-CG 4.02Å; L578-L581 HydrophobicContact CD1-CD1 3.89Å; L578-L581 WeakPolarHBondContact O-CB 3.3Å; L578-L581 PolarHBondContact O-N 3.46Å; S579-L581 PolarHBondContact O-N 3.47Å
582L98.2Very high97.7Very high18 Ų1855.8 Ų55.89%0.09427%0.271CS..SBendtrans-93.2141.8-179.5-58.1-173.2000111.4T448 K452 I577 S579 E586 I587 I590 I624T448-L582 HydrophobicContact CG2-CD2 3.78Å; T448-L582 HydrophobicContact CG2-CG 4.32Å; K452-L582 HydrophobicContact CD-CD2 4.02Å; K452-L582 HydrophobicContact CG-CD2 3.52Å; I577-L582 HydrophobicContact CG2-CD1 3.5Å; I577-L582 VanDerWaalsContact CG2-CD1 3.5Å; I577-L582 HydrophobicContact CG2-CG 4.16Å; S579-L582 WeakPolarHBondContact O-CB 3.48Å; S579-L582 PolarHBondContact O-N 2.98Å; L582-E586 WeakPolarHBondContact CA-OE2 3.46Å; L582-E586 HydrophobicContact CB-CB 4.31Å; L582-E586 HydrophobicContact CD2-CB 4.34Å; L582-I587 HydrophobicContact CB-CD1 4.27Å; L582-I587 HydrophobicContact CB-CG1 3.91Å; L582-I587 HydrophobicContact CD1-CG1 4.14Å; L582-I590 HydrophobicContact CD1-CD1 3.58Å; L582-I624 HydrophobicContact CD1-CD1 4.08Å
583S97.7Very high97.7Very high49 Ų4956.1 Ų56.134%0.34327%0.273SS..  trans-76.7161.3165.2700000110.5Q585 E586 I587S583-Q585 PolarHBondContact O-N 3.16Å; S583-E586 WeakPolarHBondContact CB-OE2 3.08Å; S583-E586 PolarHBondContact N-OE2 2.61Å; S583-E586 PolarHBondContact O-N 3.04Å; S583-E586 VanDerWaalsContact O-N 3.14Å; S583-E586 VanDerWaalsContact OG-CD 3.3Å; S583-E586 WeakPolarHBondContact OG-CG 3.49Å; S583-E586 PolarHBondContact OG-N 2.99Å; S583-E586 PolarHBondContact OG-OE2 3.49Å; S583-I587 PolarHBondContact O-N 2.98Å
584K97.7Very high97.7Very high175 Ų17555.9 Ų55.976%0.76127%0.271SS*.Hα-helixtrans-57.3-32.2173.5-66.2-175.3177.7-176.90113N588K584-N588 WeakPolarHBondContact O-CB 3.5Å; K584-N588 PolarHBondContact O-N 3.13Å; K584-N588 PolarHBondContact O-ND2 3.22Å
585Q97.5Very high97.8Very high162 Ų16256.7 Ų56.776%0.75728%0.277SS*.Hα-helixtrans-70.2-41.1179.3-69.1171.2-3.600111.2S583 N588 W589S583-Q585 PolarHBondContact O-N 3.16Å; Q585-N588 PolarHBondContact O-N 2.91Å; Q585-W589 PolarHBondContact O-N 3Å
586E98.4Very high98Very high15 Ų1555.6 Ų55.67%0.0728%0.275CS..Hα-helixtrans-67.1-43.5176.8-68.9158.9148.500111.2K452 I455 L582 S583 N588 W589 I590K452-E586 WeakPolarHBondContact CG-OE1 3.49Å; K452-E586 IonicContact NZ-OE1 3.68Å; K452-E586 PolarHBondContact NZ-OE1 2.98Å; K452-E586 IonicContact NZ-OE2 3.91Å; K452-E586 PolarHBondContact NZ-OE2 2.95Å; I455-E586 HydrophobicContact CD1-CB 4.15Å; I455-E586 HydrophobicContact CD1-CG 4.49Å; I455-E586 HydrophobicContact CG2-CB 4.38Å; I455-E586 HydrophobicContact CG2-CG 3.96Å; L582-E586 WeakPolarHBondContact CA-OE2 3.46Å; L582-E586 HydrophobicContact CB-CB 4.31Å; L582-E586 HydrophobicContact CD2-CB 4.34Å; S583-E586 WeakPolarHBondContact CB-OE2 3.08Å; S583-E586 PolarHBondContact N-OE2 2.61Å; S583-E586 PolarHBondContact O-N 3.04Å; S583-E586 VanDerWaalsContact O-N 3.14Å; S583-E586 VanDerWaalsContact OG-CD 3.3Å; S583-E586 WeakPolarHBondContact OG-CG 3.49Å; S583-E586 PolarHBondContact OG-N 2.99Å; S583-E586 PolarHBondContact OG-OE2 3.49Å; E586-N588 VanDerWaalsContact C-N 3.34Å; E586-N588 PolarHBondContact O-N 3.27Å; E586-W589 WeakPolarHBondContact O-CB 3.31Å; E586-W589 PolarHBondContact O-N 3.36Å; E586-W589 VanDerWaalsContact O-N 3.15Å; E586-I590 WeakPolarHBondContact O-CG1 3.45Å; E586-I590 PolarHBondContact O-N 3.1Å
587I98.4Very high98Very high19 Ų1955.5 Ų55.510%0.09728%0.275CS..Hα-helixtrans-57-48.1173.2-72.7165.3000110.9L582 S583 W589 I590 N591 I624L582-I587 HydrophobicContact CB-CD1 4.27Å; L582-I587 HydrophobicContact CB-CG1 3.91Å; L582-I587 HydrophobicContact CD1-CG1 4.14Å; S583-I587 PolarHBondContact O-N 2.98Å; I587-W589 VanDerWaalsContact C-N 3.28Å; I587-W589 PolarHBondContact O-N 3.33Å; I587-I590 PolarHBondContact O-N 2.88Å; I587-N591 PolarHBondContact O-N 3.12Å; I587-I624 HydrophobicContact CG1-CD1 4.3Å; I587-I624 HydrophobicContact CG2-CG1 4.18Å
588N98.2Very high98.1Very high89 Ų8957.1 Ų57.148%0.47628%0.279SS..Hα-helixtrans-63.4-34177.9-74.4-22000112.8K584 Q585 E586 K592K584-N588 WeakPolarHBondContact O-CB 3.5Å; K584-N588 PolarHBondContact O-N 3.13Å; K584-N588 PolarHBondContact O-ND2 3.22Å; Q585-N588 PolarHBondContact O-N 2.91Å; E586-N588 VanDerWaalsContact C-N 3.34Å; E586-N588 PolarHBondContact O-N 3.27Å; N588-K592 WeakPolarHBondContact O-CB 3.35Å; N588-K592 VanDerWaalsContact O-CG 3.23Å; N588-K592 WeakPolarHBondContact O-CG 3.36Å; N588-K592 PolarHBondContact O-N 2.87Å; N588-K592 VanDerWaalsContact O-N 3.09Å
589W98.4Very high98.1Very high43 Ų4361.2 Ų61.216%0.16330%0.301CS..Hα-helixtrans-65.9-46.5175.2-174.899.4000110.9H454 I455 A458 I572 Q585 E586 I587 N591 K592 Y593H454-W589 AromaticContact CD2-CH2 3.85Å; H454-W589 AromaticContact NE2-CH2 3.83Å; I455-W589 HydrophobicContact CB-CD2 4.49Å; I455-W589 HydrophobicContact CB-CE3 4.49Å; I455-W589 HydrophobicContact CD1-CE3 3.98Å; I455-W589 HydrophobicContact CD1-CZ3 4.44Å; I455-W589 HydrophobicContact CG1-CD2 4.02Å; I455-W589 HydrophobicContact CG1-CE3 3.56Å; I455-W589 HydrophobicContact CG1-CH2 4.45Å; I455-W589 HydrophobicContact CG1-CZ3 3.8Å; I455-W589 HydrophobicContact CG2-CB 3.98Å; I455-W589 HydrophobicContact CG2-CD2 4.01Å; I455-W589 HydrophobicContact CG2-CE3 4.37Å; I455-W589 HydrophobicContact CG2-CG 3.83Å; A458-W589 HydrophobicContact CB-CZ2 3.68Å; I572-W589 HydrophobicContact CD1-CZ3 4.42Å; Q585-W589 PolarHBondContact O-N 3Å; E586-W589 WeakPolarHBondContact O-CB 3.31Å; E586-W589 PolarHBondContact O-N 3.36Å; E586-W589 VanDerWaalsContact O-N 3.15Å; I587-W589 VanDerWaalsContact C-N 3.28Å; I587-W589 PolarHBondContact O-N 3.33Å; W589-N591 PolarHBondContact O-N 3.12Å; W589-K592 PolarHBondContact O-N 3.46Å; W589-Y593 HydrophobicContact CH2-CD2 4.31Å; W589-Y593 HydrophobicContact CH2-CG 4.15Å; W589-Y593 HydrophobicContact CZ3-CD1 4.39Å; W589-Y593 HydrophobicContact CZ3-CG 4.12Å; W589-Y593 WeakPolarHBondContact O-CB 3.43Å; W589-Y593 PolarHBondContact O-N 2.87Å
590I98.7Very high98.2Very high0 Ų060.9 Ų60.90%030%0.296CS..Hα-helixtrans-60-49.9179.2-67.1161.5000110.1L451 I455 I577 L582 E586 I587 K592 Y593 H594 I624L451-I590 HydrophobicContact CD2-CD1 3.88Å; I455-I590 HydrophobicContact CD1-CD1 3.79Å; I455-I590 HydrophobicContact CD1-CG1 3.66Å; I577-I590 HydrophobicContact CD1-CD1 4.31Å; L582-I590 HydrophobicContact CD1-CD1 3.58Å; E586-I590 WeakPolarHBondContact O-CG1 3.45Å; E586-I590 PolarHBondContact O-N 3.1Å; I587-I590 PolarHBondContact O-N 2.88Å; I590-K592 PolarHBondContact O-N 3.34Å; I590-Y593 PolarHBondContact O-N 3.39Å; I590-H594 WeakPolarHBondContact O-CB 3.3Å; I590-H594 PolarHBondContact O-N 3.44Å; I590-I624 HydrophobicContact CB-CD1 4.13Å; I590-I624 HydrophobicContact CD1-CD1 3.65Å; I590-I624 HydrophobicContact CG2-CD1 3.91Å; I590-I624 HydrophobicContact CG2-CG1 4.26Å
591N98.5Very high98.4Very high23 Ų2354.1 Ų54.112%0.12327%0.265CS..Hα-helixtrans-59.8-45.8-179.9-69.3-16.9000111.3I587 W589 Y593 H594 D595 P623 I624I587-N591 PolarHBondContact O-N 3.12Å; W589-N591 PolarHBondContact O-N 3.12Å; N591-Y593 PolarHBondContact O-N 3.43Å; N591-H594 PolarHBondContact O-N 2.76Å; N591-D595 PolarHBondContact O-N 2.89Å; N591-D595 VanDerWaalsContact O-OD1 3.08Å; N591-P623 VanDerWaalsContact OD1-CA 3.29Å; N591-P623 WeakPolarHBondContact OD1-CA 3.49Å; N591-I624 PolarHBondContact ND2-O 3.27Å; N591-I624 WeakPolarHBondContact OD1-CG1 3.38Å; N591-I624 PolarHBondContact OD1-N 2.99Å
592K98.4Very high98.4Very high150 Ų15051.9 Ų51.965%0.65225%0.254SS*.Hα-helixtrans-63.5-38.9176.6-74.8175179.7-177.40113.3N588 W589 I590 L596N588-K592 WeakPolarHBondContact O-CB 3.35Å; N588-K592 VanDerWaalsContact O-CG 3.23Å; N588-K592 WeakPolarHBondContact O-CG 3.36Å; N588-K592 PolarHBondContact O-N 2.87Å; N588-K592 VanDerWaalsContact O-N 3.09Å; W589-K592 PolarHBondContact O-N 3.46Å; I590-K592 PolarHBondContact O-N 3.34Å; K592-L596 PolarHBondContact O-N 3.39Å; K592-L596 VanDerWaalsContact O-N 3.08Å
593Y98.8Very high98.5Very high8 Ų855.6 Ų55.63%0.03127%0.27CS..Hα-helixtrans-65.3-42.4176.2170.3-100000111R432 P566 T568 L569 V570 I572 W589 I590 N591 L596 C597R432-Y593 PolarHBondContact NH2-OH 3.49Å; P566-Y593 HydrophobicContact CB-CD2 4.29Å; P566-Y593 HydrophobicContact CB-CE2 4.1Å; P566-Y593 HydrophobicContact CG-CD2 4.22Å; P566-Y593 HydrophobicContact CG-CE2 4.47Å; T568-Y593 WeakPolarHBondContact O-CE2 3.48Å; T568-Y593 PolarHBondContact O-OH 3.27Å; L569-Y593 HydrophobicContact CD2-CE2 4.32Å; V570-Y593 PolarHBondContact N-OH 2.97Å; V570-Y593 WeakPolarHBondContact O-CE1 3.45Å; V570-Y593 PolarHBondContact O-OH 2.86Å; I572-Y593 HydrophobicContact CD1-CD1 4.31Å; I572-Y593 HydrophobicContact CD1-CE1 4.03Å; I572-Y593 HydrophobicContact CG1-CE1 4.07Å; W589-Y593 HydrophobicContact CH2-CD2 4.31Å; W589-Y593 HydrophobicContact CH2-CG 4.15Å; W589-Y593 HydrophobicContact CZ3-CD1 4.39Å; W589-Y593 HydrophobicContact CZ3-CG 4.12Å; W589-Y593 WeakPolarHBondContact O-CB 3.43Å; W589-Y593 PolarHBondContact O-N 2.87Å; I590-Y593 PolarHBondContact O-N 3.39Å; N591-Y593 PolarHBondContact O-N 3.43Å; Y593-L596 PolarHBondContact O-N 3.47Å; Y593-C597 PolarHBondContact O-N 3.02Å; Y593-C597 PolarHBondContact O-SG 3.21Å
594H98.8Very high98.5Very high0 Ų056.5 Ų56.50%027%0.266CS..Hα-helixtrans-68-36.5175.6-77.9-179.5000113I572 I590 N591 L596 C597 R598 T621I572-H594 PolarHBondContact N-NE2 3.03Å; I572-H594 PolarHBondContact O-CE1 2.93Å; I572-H594 PolarHBondContact O-NE2 3.23Å; I590-H594 WeakPolarHBondContact O-CB 3.3Å; I590-H594 PolarHBondContact O-N 3.44Å; N591-H594 PolarHBondContact O-N 2.76Å; H594-L596 VanDerWaalsContact C-N 3.35Å; H594-C597 WeakPolarHBondContact O-CB 3.43Å; H594-C597 PolarHBondContact O-N 2.89Å; H594-R598 PolarHBondContact O-N 3.49Å; H594-T621 HydrophobicContact CB-CG2 4.03Å
595D98.7Very high98.5Very high58 Ų5848.1 Ų48.131%0.3123%0.23SC..Hα-helixtrans-57-49.4170.1-65.2-9.6000110.2N591 C597 R598 D599N591-D595 PolarHBondContact O-N 2.89Å; N591-D595 VanDerWaalsContact O-OD1 3.08Å; D595-C597 VanDerWaalsContact C-N 3.32Å; D595-C597 PolarHBondContact O-N 3.21Å; D595-R598 WeakPolarHBondContact O-CB 3.43Å; D595-R598 PolarHBondContact O-N 2.9Å; D595-R598 VanDerWaalsContact O-N 3.13Å; D595-R598 IonicContact OD1-CZ 2.95Å; D595-R598 IonicContact OD1-NH1 2.81Å; D595-R598 PolarHBondContact OD1-NH1 3.33Å; D595-R598 IonicContact OD1-NH2 3.53Å; D595-R598 PolarHBondContact OD1-NH2 3.28Å; D595-D599 VanDerWaalsContact O-CG 3.27Å; D595-D599 PolarHBondContact O-N 3.46Å
596L98.6Very high98.6Very high63 Ų6343.9 Ų43.933%0.3321%0.21SC..Hα-helixtrans-61.4-38.4178-176.465.3000112.7P566 L569 K592 Y593 H594 D599 V600P566-L596 HydrophobicContact CG-CD2 3.83Å; L569-L596 HydrophobicContact CD1-CG 4.31Å; L569-L596 HydrophobicContact CD2-CD2 3.55Å; L569-L596 HydrophobicContact CD2-CG 3.75Å; K592-L596 PolarHBondContact O-N 3.39Å; K592-L596 VanDerWaalsContact O-N 3.08Å; Y593-L596 PolarHBondContact O-N 3.47Å; H594-L596 VanDerWaalsContact C-N 3.35Å; L596-D599 PolarHBondContact O-N 3.24Å; L596-V600 HydrophobicContact CD1-CG2 3.76Å; L596-V600 HydrophobicContact CG-CG2 4.42Å; L596-V600 PolarHBondContact O-N 3.02Å
597C98.8Very high98.6Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-59.9-47.2174-640000111Y593 H594 D595 V601 G602 L617 T621Y593-C597 PolarHBondContact O-N 3.02Å; Y593-C597 PolarHBondContact O-SG 3.21Å; H594-C597 WeakPolarHBondContact O-CB 3.43Å; H594-C597 PolarHBondContact O-N 2.89Å; D595-C597 VanDerWaalsContact C-N 3.32Å; D595-C597 PolarHBondContact O-N 3.21Å; C597-V601 WeakPolarHBondContact O-CA 3.34Å; C597-V601 VanDerWaalsContact O-CB 3.29Å; C597-V601 WeakPolarHBondContact O-CB 3.34Å; C597-V601 PolarHBondContact O-N 3.33Å; C597-G602 PolarHBondContact O-N 2.94Å; C597-L617 HydrophobicContact CB-CD1 4.38Å; C597-T621 HydrophobicContact CB-CG2 4.15Å
598R98.6Very high98.5Very high54 Ų5451.5 Ų51.520%0.20425%0.251CS..Iπ-helixtrans-61.9-46.5177.1-69.9-164.5-58.4-82.82.4112.1H594 D595 G602 I618 T621H594-R598 PolarHBondContact O-N 3.49Å; D595-R598 WeakPolarHBondContact O-CB 3.43Å; D595-R598 PolarHBondContact O-N 2.9Å; D595-R598 VanDerWaalsContact O-N 3.13Å; D595-R598 IonicContact OD1-CZ 2.95Å; D595-R598 IonicContact OD1-NH1 2.81Å; D595-R598 PolarHBondContact OD1-NH1 3.33Å; D595-R598 IonicContact OD1-NH2 3.53Å; D595-R598 PolarHBondContact OD1-NH2 3.28Å; R598-G602 WeakPolarHBondContact O-CA 3.48Å; R598-G602 PolarHBondContact O-N 2.9Å; R598-I618 HydrophobicContact CB-CD1 4.31Å; R598-I618 HydrophobicContact CG-CD1 3.93Å; R598-T621 WeakPolarHBondContact CD-OG1 3.46Å; R598-T621 HydrophobicContact CG-CG2 4.17Å; R598-T621 WeakPolarHBondContact CG-OG1 3.36Å; R598-T621 PolarHBondContact NH1-O 2.87Å
599D98.6Very high98.5Very high112 Ų11249.7 Ų49.760%0.59925%0.254SS*.Iπ-helixtrans-65.9-46.1-173-68.5-11.8000111.2D595 L596 Q603D595-D599 VanDerWaalsContact O-CG 3.27Å; D595-D599 PolarHBondContact O-N 3.46Å; L596-D599 PolarHBondContact O-N 3.24Å; D599-Q603 WeakPolarHBondContact O-CB 3.46Å
600V98.7Very high98.5Very high52 Ų5251 Ų5132%0.31526%0.259SS..Iπ-helixtrans-86.1-55.5-174.9-178.90000111.7V336 L569 L596 R604V336-V600 HydrophobicContact CG1-CG1 4.22Å; V336-V600 HydrophobicContact CG2-CG1 3.61Å; L569-V600 HydrophobicContact CD1-CB 3.68Å; L569-V600 HydrophobicContact CD1-CG1 3.77Å; L569-V600 HydrophobicContact CD1-CG2 4.02Å; L596-V600 HydrophobicContact CD1-CG2 3.76Å; L596-V600 HydrophobicContact CG-CG2 4.42Å; L596-V600 PolarHBondContact O-N 3.02Å; V600-R604 PolarHBondContact O-N 3.09Å
601V98.8Very high98.5Very high0 Ų054.6 Ų54.60%028%0.277CS..Iπ-helixtrans-77.6-36.2-174.7-176.10000110.5V340 L569 C597 R604 L605 L617V340-V601 HydrophobicContact CG2-CG1 3.9Å; L569-V601 HydrophobicContact CB-CG2 3.6Å; L569-V601 HydrophobicContact CD1-CG2 4.31Å; L569-V601 WeakPolarHBondContact O-CG2 3.47Å; C597-V601 WeakPolarHBondContact O-CA 3.34Å; C597-V601 VanDerWaalsContact O-CB 3.29Å; C597-V601 WeakPolarHBondContact O-CB 3.34Å; C597-V601 PolarHBondContact O-N 3.33Å; V601-R604 PolarHBondContact O-N 3.18Å; V601-L605 HydrophobicContact CG1-CD1 4.06Å; V601-L605 HydrophobicContact CG1-CG 4.33Å; V601-L605 WeakPolarHBondContact O-CB 3.38Å; V601-L605 VanDerWaalsContact O-CG 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.29Å; V601-L605 PolarHBondContact O-N 3.48Å; V601-L617 HydrophobicContact CB-CD2 4.02Å; V601-L617 HydrophobicContact CG1-CD2 4.1Å
602G98.7Very high98.5Very high0 Ų059 Ų590%030%0.297CS..Iπ-helixtrans-61.9-46.1175.200000112C597 R598 R604 L605 Q606 Y614C597-G602 PolarHBondContact O-N 2.94Å; R598-G602 WeakPolarHBondContact O-CA 3.48Å; R598-G602 PolarHBondContact O-N 2.9Å; G602-R604 VanDerWaalsContact C-N 3.35Å; G602-R604 PolarHBondContact O-N 3.41Å; G602-L605 PolarHBondContact O-N 3.43Å; G602-Q606 WeakPolarHBondContact O-CG 3.31Å; G602-Q606 PolarHBondContact O-N 2.86Å; G602-Y614 WeakPolarHBondContact O-CD2 3.39Å
603Q98.4Very high98.5Very high96 Ų9652.1 Ų52.145%0.44927%0.268SS..Hα-helixtrans-58.4-46.4174.2-174.862.561.600111.4D599 L605 Q606 D607D599-Q603 WeakPolarHBondContact O-CB 3.46Å; Q603-L605 VanDerWaalsContact C-N 3.35Å; Q603-L605 PolarHBondContact O-N 3.37Å; Q603-Q606 PolarHBondContact O-N 2.86Å; Q603-D607 PolarHBondContact NE2-OD1 3.16Å; Q603-D607 PolarHBondContact O-N 2.93Å
604R98.4Very high98.5Very high67 Ų6754 Ų5425%0.25328%0.275SS..Hα-helixtrans-62.7-39178.7-174.364.166.792.42.4112.6E333 V336 V340 V600 V601 G602 Q606 D607 L608E333-R604 IonicContact OE1-NH2 3.85Å; E333-R604 IonicContact OE2-CZ 3.02Å; E333-R604 IonicContact OE2-NH1 2.69Å; E333-R604 PolarHBondContact OE2-NH1 3.32Å; E333-R604 IonicContact OE2-NH2 3.03Å; E333-R604 PolarHBondContact OE2-NH2 2.98Å; V336-R604 HydrophobicContact CG1-CB 4.3Å; V336-R604 HydrophobicContact CG1-CG 4.23Å; V340-R604 HydrophobicContact CG2-CB 3.97Å; V340-R604 HydrophobicContact CG2-CG 3.6Å; V600-R604 PolarHBondContact O-N 3.09Å; V601-R604 PolarHBondContact O-N 3.18Å; G602-R604 VanDerWaalsContact C-N 3.35Å; G602-R604 PolarHBondContact O-N 3.41Å; R604-Q606 VanDerWaalsContact C-N 3.35Å; R604-D607 PolarHBondContact O-N 2.97Å; R604-L608 HydrophobicContact CG-CD1 3.96Å; R604-L608 WeakPolarHBondContact O-CB 3.4Å; R604-L608 VanDerWaalsContact O-CG 3.28Å; R604-L608 WeakPolarHBondContact O-CG 3.28Å; R604-L608 PolarHBondContact O-N 3.38Å; R604-L608 VanDerWaalsContact O-N 3.08Å
605L98.7Very high98.5Very high0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-62.9-41.1175.2-75.6165.6000111.6V340 C343 M344 V601 G602 Q603 L608 G609 Y610 A613 L617V340-L605 HydrophobicContact CG1-CD2 3.82Å; V340-L605 HydrophobicContact CG2-CG 4.4Å; C343-L605 HydrophobicContact CB-CD1 4.14Å; M344-L605 HydrophobicContact CG-CD2 4.19Å; V601-L605 HydrophobicContact CG1-CD1 4.06Å; V601-L605 HydrophobicContact CG1-CG 4.33Å; V601-L605 WeakPolarHBondContact O-CB 3.38Å; V601-L605 VanDerWaalsContact O-CG 3.31Å; V601-L605 WeakPolarHBondContact O-CG 3.29Å; V601-L605 PolarHBondContact O-N 3.48Å; G602-L605 PolarHBondContact O-N 3.43Å; Q603-L605 VanDerWaalsContact C-N 3.35Å; Q603-L605 PolarHBondContact O-N 3.37Å; L605-L608 PolarHBondContact O-N 2.91Å; L605-G609 PolarHBondContact O-N 2.93Å; L605-G609 VanDerWaalsContact O-N 3.13Å; L605-Y610 HydrophobicContact CD2-CD2 4.17Å; L605-Y610 HydrophobicContact CD2-CG 4.42Å; L605-Y610 PolarHBondContact O-N 2.85Å; L605-A613 HydrophobicContact CD1-CB 4.46Å; L605-A613 HydrophobicContact CD2-CB 3.96Å; L605-L617 HydrophobicContact CD1-CB 4.34Å; L605-L617 HydrophobicContact CD1-CD2 3.81Å
606Q98.4Very high98.5Very high72 Ų7256.8 Ų56.834%0.33629%0.285SS..Hα-helixtrans-64.9-46.4175.8-68.3179.7-73.400111.7G602 Q603 R604 L608 G609 M611 Y614G602-Q606 WeakPolarHBondContact O-CG 3.31Å; G602-Q606 PolarHBondContact O-N 2.86Å; Q603-Q606 PolarHBondContact O-N 2.86Å; R604-Q606 VanDerWaalsContact C-N 3.35Å; Q606-L608 PolarHBondContact O-N 3.19Å; Q606-G609 PolarHBondContact O-N 3.42Å; Q606-M611 HydrophobicContact CB-SD 4.43Å; Q606-M611 HydrophobicContact CG-CE 4.48Å; Q606-M611 HydrophobicContact CG-SD 4.08Å; Q606-Y614 VanDerWaalsContact CD-CE2 3.47Å; Q606-Y614 HydrophobicContact CG-CD1 4.2Å; Q606-Y614 HydrophobicContact CG-CD2 3.55Å; Q606-Y614 HydrophobicContact CG-CE1 4.35Å; Q606-Y614 HydrophobicContact CG-CE2 3.72Å; Q606-Y614 HydrophobicContact CG-CG 3.8Å
607D98.1Very high98.5Very high109 Ų10953.8 Ų53.858%0.58327%0.27SS*.Hα-helixtrans-59.9-36.2179.6-65.2-16.2000111.9Q603 R604 G609Q603-D607 PolarHBondContact NE2-OD1 3.16Å; Q603-D607 PolarHBondContact O-N 2.93Å; R604-D607 PolarHBondContact O-N 2.97Å; D607-G609 VanDerWaalsContact C-N 3.33Å
608L97.8Very high98.5Very high85 Ų8556 Ų5645%0.44528%0.281SS..THydrogen-bonded Turntrans-83.2-5.7176.6-65.5172000113.7V340 R604 L605 Q606 Y610V340-L608 HydrophobicContact CG1-CD1 4.19Å; R604-L608 HydrophobicContact CG-CD1 3.96Å; R604-L608 WeakPolarHBondContact O-CB 3.4Å; R604-L608 VanDerWaalsContact O-CG 3.28Å; R604-L608 WeakPolarHBondContact O-CG 3.28Å; R604-L608 PolarHBondContact O-N 3.38Å; R604-L608 VanDerWaalsContact O-N 3.08Å; L605-L608 PolarHBondContact O-N 2.91Å; Q606-L608 PolarHBondContact O-N 3.19Å; L608-Y610 HydrophobicContact CB-CD2 3.63Å; L608-Y610 HydrophobicContact CB-CE2 3.71Å; L608-Y610 HydrophobicContact CB-CG 4.48Å; L608-Y610 HydrophobicContact CD1-CD2 4.22Å; L608-Y610 HydrophobicContact CD1-CE2 4Å; L608-Y610 HydrophobicContact CG-CE2 4.44Å
609G98.1Very high98.4Very high52 Ų5259.9 Ų59.954%0.53630%0.301SS..THydrogen-bonded Turntrans78.713.1179.900000115.4L605 Q606 D607 M611L605-G609 PolarHBondContact O-N 2.93Å; L605-G609 VanDerWaalsContact O-N 3.13Å; Q606-G609 PolarHBondContact O-N 3.42Å; D607-G609 VanDerWaalsContact C-N 3.33Å; G609-M611 PolarHBondContact O-N 3.01Å
610Y98.1Very high98.4Very high69 Ų6956.2 Ų56.227%0.27128%0.281SS..  trans-82.860178.7-62.1-48.6000112.4V340 M344 M375 L605 L608 E612 A613 Y614V340-Y610 HydrophobicContact CG1-CD2 4.41Å; M344-Y610 HydrophobicContact CE-CD1 3.71Å; M344-Y610 HydrophobicContact CE-CD2 4.03Å; M344-Y610 HydrophobicContact CE-CE1 3.55Å; M344-Y610 HydrophobicContact CE-CE2 3.86Å; M344-Y610 HydrophobicContact CE-CG 3.97Å; M344-Y610 HydrophobicContact SD-CD1 4.4Å; M344-Y610 HydrophobicContact SD-CD2 3.65Å; M344-Y610 HydrophobicContact SD-CE1 4.42Å; M344-Y610 HydrophobicContact SD-CE2 3.65Å; M344-Y610 HydrophobicContact SD-CG 4.05Å; M375-Y610 HydrophobicContact CE-CE1 4.38Å; M375-Y610 VanDerWaalsContact CE-OH 3.29Å; M375-Y610 WeakPolarHBondContact CE-OH 3.45Å; L605-Y610 HydrophobicContact CD2-CD2 4.17Å; L605-Y610 HydrophobicContact CD2-CG 4.42Å; L605-Y610 PolarHBondContact O-N 2.85Å; L608-Y610 HydrophobicContact CB-CD2 3.63Å; L608-Y610 HydrophobicContact CB-CE2 3.71Å; L608-Y610 HydrophobicContact CB-CG 4.48Å; L608-Y610 HydrophobicContact CD1-CD2 4.22Å; L608-Y610 HydrophobicContact CD1-CE2 4Å; L608-Y610 HydrophobicContact CG-CE2 4.44Å; Y610-E612 PolarHBondContact O-N 3.22Å; Y610-A613 PolarHBondContact O-N 3.3Å; Y610-Y614 PolarHBondContact O-N 3.15Å
611M98.5Very high98.4Very high77 Ų7753.7 Ų53.738%0.37927%0.266SS..Hα-helixtrans-64.3-31.9-170.7-67-55.8-59.300114.6Q606 G609 Y614 H615Q606-M611 HydrophobicContact CB-SD 4.43Å; Q606-M611 HydrophobicContact CG-CE 4.48Å; Q606-M611 HydrophobicContact CG-SD 4.08Å; G609-M611 PolarHBondContact O-N 3.01Å; M611-Y614 HydrophobicContact CE-CD1 3.77Å; M611-Y614 HydrophobicContact CE-CE1 4.25Å; M611-Y614 WeakPolarHBondContact O-CB 3.33Å; M611-Y614 PolarHBondContact O-N 3.39Å; M611-H615 VanDerWaalsContact O-CG 3.29Å; M611-H615 PolarHBondContact O-N 2.68Å; M611-H615 PolarHBondContact O-ND1 3.27Å
612E98.2Very high98.3Very high115 Ų11558.7 Ų58.754%0.53729%0.29SS..Hα-helixtrans-65.8-47.5175.7-64.5-167.9170.200111.7H347 Y610 Y614 H615 W616H347-E612 IonicContact CE1-OE2 3.66Å; H347-E612 WeakPolarHBondContact NE2-CB 3.49Å; H347-E612 IonicContact NE2-OE2 3.85Å; H347-E612 PolarHBondContact NE2-OE2 3.22Å; Y610-E612 PolarHBondContact O-N 3.22Å; E612-Y614 VanDerWaalsContact C-N 3.27Å; E612-Y614 PolarHBondContact O-N 3.43Å; E612-H615 PolarHBondContact O-N 3.41Å; E612-W616 PolarHBondContact O-N 3.11Å
613A98.5Very high98.2Very high5 Ų562.6 Ų62.64%0.04132%0.315CS..Hα-helixtrans-65.1-33.2176.800000111.7M344 H347 L605 Y610 L617M344-A613 HydrophobicContact CG-CB 4.04Å; H347-A613 HydrophobicContact CB-CB 4.41Å; L605-A613 HydrophobicContact CD1-CB 4.46Å; L605-A613 HydrophobicContact CD2-CB 3.96Å; Y610-A613 PolarHBondContact O-N 3.3Å; A613-L617 WeakPolarHBondContact O-CB 3.35Å; A613-L617 PolarHBondContact O-N 3.23Å
614Y98.7Very high98Very high48 Ų4859.1 Ų59.119%0.18830%0.3CS..Hα-helixtrans-60.1-51.5170.1168.7-101.1000111.6G602 Q606 Y610 M611 E612 W616 L617 I618G602-Y614 WeakPolarHBondContact O-CD2 3.39Å; Q606-Y614 VanDerWaalsContact CD-CE2 3.47Å; Q606-Y614 HydrophobicContact CG-CD1 4.2Å; Q606-Y614 HydrophobicContact CG-CD2 3.55Å; Q606-Y614 HydrophobicContact CG-CE1 4.35Å; Q606-Y614 HydrophobicContact CG-CE2 3.72Å; Q606-Y614 HydrophobicContact CG-CG 3.8Å; Y610-Y614 PolarHBondContact O-N 3.15Å; M611-Y614 HydrophobicContact CE-CD1 3.77Å; M611-Y614 HydrophobicContact CE-CE1 4.25Å; M611-Y614 WeakPolarHBondContact O-CB 3.33Å; M611-Y614 PolarHBondContact O-N 3.39Å; E612-Y614 VanDerWaalsContact C-N 3.27Å; E612-Y614 PolarHBondContact O-N 3.43Å; Y614-W616 VanDerWaalsContact C-N 3.31Å; Y614-W616 PolarHBondContact O-N 2.78Å; Y614-L617 WeakPolarHBondContact O-CB 3.49Å; Y614-L617 PolarHBondContact O-N 3.16Å; Y614-L617 VanDerWaalsContact O-N 3.11Å; Y614-I618 HydrophobicContact CD1-CG1 4.46Å; Y614-I618 HydrophobicContact CD2-CD1 4.44Å; Y614-I618 HydrophobicContact CD2-CG1 4.37Å; Y614-I618 HydrophobicContact CE1-CG1 4.02Å; Y614-I618 HydrophobicContact CE2-CD1 3.74Å; Y614-I618 HydrophobicContact CE2-CG1 3.93Å; Y614-I618 WeakPolarHBondContact O-CG1 3.49Å; Y614-I618 PolarHBondContact O-N 2.76Å
615H98.6Very high97.3Very high103 Ų10361.1 Ų61.148%0.47734%0.341SS..Hα-helixtrans-61.4-40.1179.5-64.5133.6000112.3M611 E612 I618 Q619M611-H615 VanDerWaalsContact O-CG 3.29Å; M611-H615 PolarHBondContact O-N 2.68Å; M611-H615 PolarHBondContact O-ND1 3.27Å; E612-H615 PolarHBondContact O-N 3.41Å; H615-I618 PolarHBondContact O-N 2.8Å; H615-Q619 WeakPolarHBondContact O-CG 3.46Å; H615-Q619 PolarHBondContact O-N 3.48Å; H615-Q619 VanDerWaalsContact O-N 3.17Å
616W98.4Very high97.3Very high13 Ų1364.2 Ų64.25%0.04936%0.358CS..Hα-helixtrans-58.3-47.5172173.786.2000111.6C343 F346 H347 E350 P571 E612 Y614 I618 Q619 E620C343-W616 HydrophobicContact CB-CE3 4.26Å; C343-W616 HydrophobicContact CB-CZ3 3.86Å; F346-W616 HydrophobicContact CB-CH2 3.44Å; F346-W616 VanDerWaalsContact CB-CH2 3.44Å; F346-W616 HydrophobicContact CB-CZ2 3.38Å; F346-W616 HydrophobicContact CB-CZ3 4.29Å; F346-W616 HydrophobicContact CD2-CH2 4.25Å; F346-W616 HydrophobicContact CG-CH2 4.29Å; F346-W616 HydrophobicContact CG-CZ2 4.46Å; H347-W616 HydrophobicContact CB-CB 3.94Å; H347-W616 HydrophobicContact CB-CD2 3.95Å; H347-W616 HydrophobicContact CB-CE3 4.4Å; H347-W616 HydrophobicContact CB-CG 3.71Å; H347-W616 AromaticContact ND1-CG 3.99Å; E350-W616 PolarHBondContact OE2-NE1 2.95Å; P571-W616 HydrophobicContact CG-CH2 4.15Å; P571-W616 HydrophobicContact CG-CZ3 4.13Å; E612-W616 PolarHBondContact O-N 3.11Å; Y614-W616 VanDerWaalsContact C-N 3.31Å; Y614-W616 PolarHBondContact O-N 2.78Å; W616-I618 VanDerWaalsContact C-N 3.32Å; W616-I618 PolarHBondContact O-N 2.83Å; W616-Q619 WeakPolarHBondContact O-CB 3.35Å; W616-Q619 PolarHBondContact O-N 3.49Å; W616-Q619 VanDerWaalsContact O-N 3.1Å; W616-E620 HydrophobicContact CD2-CG 4.13Å; W616-E620 HydrophobicContact CH2-CG 4.28Å; W616-E620 HydrophobicContact CZ2-CB 4.37Å; W616-E620 HydrophobicContact CZ2-CG 3.65Å; W616-E620 PolarHBondContact O-N 2.91Å
617L98.7Very high97.2Very high0 Ų063.7 Ų63.70%036%0.359CS..Hα-helixtrans-58.6-42.8178.3173.963.6000111.7P571 C597 V601 L605 A613 Y614 Q619 E620 T621P571-L617 HydrophobicContact CG-CD1 3.35Å; C597-L617 HydrophobicContact CB-CD1 4.38Å; V601-L617 HydrophobicContact CB-CD2 4.02Å; V601-L617 HydrophobicContact CG1-CD2 4.1Å; L605-L617 HydrophobicContact CD1-CB 4.34Å; L605-L617 HydrophobicContact CD1-CD2 3.81Å; A613-L617 WeakPolarHBondContact O-CB 3.35Å; A613-L617 PolarHBondContact O-N 3.23Å; Y614-L617 WeakPolarHBondContact O-CB 3.49Å; Y614-L617 PolarHBondContact O-N 3.16Å; Y614-L617 VanDerWaalsContact O-N 3.11Å; L617-Q619 VanDerWaalsContact C-N 3.31Å; L617-Q619 PolarHBondContact O-N 2.97Å; L617-E620 PolarHBondContact O-N 3.22Å; L617-T621 HydrophobicContact CD1-CG2 3.74Å; L617-T621 WeakPolarHBondContact O-CB 3.44Å; L617-T621 VanDerWaalsContact O-CG2 3.3Å; L617-T621 WeakPolarHBondContact O-CG2 3.14Å; L617-T621 PolarHBondContact O-N 3.01Å; L617-T621 PolarHBondContact O-OG1 3.25Å
618I98.5Very high97.2Very high48 Ų4861.2 Ų61.225%0.24635%0.347CS..Hα-helixtrans-60.6-41.7177.3-61.1-57.5000111.2R598 Y614 H615 W616 T621 M622R598-I618 HydrophobicContact CB-CD1 4.31Å; R598-I618 HydrophobicContact CG-CD1 3.93Å; Y614-I618 HydrophobicContact CD1-CG1 4.46Å; Y614-I618 HydrophobicContact CD2-CD1 4.44Å; Y614-I618 HydrophobicContact CD2-CG1 4.37Å; Y614-I618 HydrophobicContact CE1-CG1 4.02Å; Y614-I618 HydrophobicContact CE2-CD1 3.74Å; Y614-I618 HydrophobicContact CE2-CG1 3.93Å; Y614-I618 WeakPolarHBondContact O-CG1 3.49Å; Y614-I618 PolarHBondContact O-N 2.76Å; H615-I618 PolarHBondContact O-N 2.8Å; W616-I618 VanDerWaalsContact C-N 3.32Å; W616-I618 PolarHBondContact O-N 2.83Å; I618-T621 PolarHBondContact O-OG1 2.96Å; I618-M622 WeakPolarHBondContact O-CG 3.45Å; I618-M622 PolarHBondContact O-N 2.68Å
619Q97.9Very high97.1Very high134 Ų13459.8 Ų59.863%0.62634%0.341SS*.Hα-helixtrans-65.7-47.2178.4-70.4176.6-16.100111.8H615 W616 L617 T621 M622H615-Q619 WeakPolarHBondContact O-CG 3.46Å; H615-Q619 PolarHBondContact O-N 3.48Å; H615-Q619 VanDerWaalsContact O-N 3.17Å; W616-Q619 WeakPolarHBondContact O-CB 3.35Å; W616-Q619 PolarHBondContact O-N 3.49Å; W616-Q619 VanDerWaalsContact O-N 3.1Å; L617-Q619 VanDerWaalsContact C-N 3.31Å; L617-Q619 PolarHBondContact O-N 2.97Å; Q619-T621 PolarHBondContact O-N 3.38Å; Q619-T621 VanDerWaalsContact O-N 3.16Å; Q619-M622 WeakPolarHBondContact O-CG 3.47Å; Q619-M622 PolarHBondContact O-N 3.14Å
620E98Very high97.1Very high35 Ų3560.3 Ų60.316%0.16433%0.329CS..Hα-helixtrans-73.4-5.6-176.6-69.9-57.5109.400114.5P571 Q574 W616 L617P571-E620 HydrophobicContact CB-CB 3.97Å; P571-E620 HydrophobicContact CG-CB 4.22Å; Q574-E620 PolarHBondContact NE2-O 3.1Å; W616-E620 HydrophobicContact CD2-CG 4.13Å; W616-E620 HydrophobicContact CH2-CG 4.28Å; W616-E620 HydrophobicContact CZ2-CB 4.37Å; W616-E620 HydrophobicContact CZ2-CG 3.65Å; W616-E620 PolarHBondContact O-N 2.91Å; L617-E620 PolarHBondContact O-N 3.22Å
621T98.6Very high97Very high0 Ų059.7 Ų59.70%033%0.333CS..THydrogen-bonded Turntrans-115.76-179.554.40000113.2P571 H594 C597 R598 L617 I618 Q619P571-T621 HydrophobicContact CB-CG2 4.19Å; P571-T621 HydrophobicContact CG-CG2 3.78Å; H594-T621 HydrophobicContact CB-CG2 4.03Å; C597-T621 HydrophobicContact CB-CG2 4.15Å; R598-T621 WeakPolarHBondContact CD-OG1 3.46Å; R598-T621 HydrophobicContact CG-CG2 4.17Å; R598-T621 WeakPolarHBondContact CG-OG1 3.36Å; R598-T621 PolarHBondContact NH1-O 2.87Å; L617-T621 HydrophobicContact CD1-CG2 3.74Å; L617-T621 WeakPolarHBondContact O-CB 3.44Å; L617-T621 VanDerWaalsContact O-CG2 3.3Å; L617-T621 WeakPolarHBondContact O-CG2 3.14Å; L617-T621 PolarHBondContact O-N 3.01Å; L617-T621 PolarHBondContact O-OG1 3.25Å; I618-T621 PolarHBondContact O-OG1 2.96Å; Q619-T621 PolarHBondContact O-N 3.38Å; Q619-T621 VanDerWaalsContact O-N 3.16Å
622M97.9Very high96.9Very high105 Ų10558.5 Ų58.552%0.51733%0.33SS..PPolyproline II helixtrans-53.5143.8175-70.2-63.3-71.100111.1Q574 I618 Q619 I624Q574-M622 VanDerWaalsContact CD-O 3.25Å; Q574-M622 PolarHBondContact NE2-O 2.79Å; Q574-M622 PolarHBondContact OE1-O 3.36Å; Q574-M622 VanDerWaalsContact OE1-O 3.05Å; I618-M622 WeakPolarHBondContact O-CG 3.45Å; I618-M622 PolarHBondContact O-N 2.68Å; Q619-M622 WeakPolarHBondContact O-CG 3.47Å; Q619-M622 PolarHBondContact O-N 3.14Å; M622-I624 PolarHBondContact O-N 2.99Å
623P96.2Very high96.8Very high81 Ų8154.2 Ų54.253%0.52631%0.314SS..PPolyproline II helixtrans-65138.8-175.925.4-34.1000112N591N591-P623 VanDerWaalsContact OD1-CA 3.29Å; N591-P623 WeakPolarHBondContact OD1-CA 3.49Å
624I93.8Very high96.6Very high23 Ų2358.3 Ų58.312%0.11834%0.336CS..PPolyproline II helixtrans-87.3146.5169.560.7170.9000111Q574 L582 I587 I590 N591 M622Q574-I624 HydrophobicContact CB-CG2 4.1Å; Q574-I624 HydrophobicContact CG-CG2 3.94Å; L582-I624 HydrophobicContact CD1-CD1 4.08Å; I587-I624 HydrophobicContact CG1-CD1 4.3Å; I587-I624 HydrophobicContact CG2-CG1 4.18Å; I590-I624 HydrophobicContact CB-CD1 4.13Å; I590-I624 HydrophobicContact CD1-CD1 3.65Å; I590-I624 HydrophobicContact CG2-CD1 3.91Å; I590-I624 HydrophobicContact CG2-CG1 4.26Å; N591-I624 PolarHBondContact ND2-O 3.27Å; N591-I624 WeakPolarHBondContact OD1-CG1 3.38Å; N591-I624 PolarHBondContact OD1-N 2.99Å; M622-I624 PolarHBondContact O-N 2.99Å
625G84.1Confident96.4Very high109 Ų10959.2 Ų59.2100%1.12435%0.35SS*.  trans-91.70-176.600000115.3

Retrieved 625 of 625 residues in 1595.6 ms (Link to these results)

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