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Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A077ZDB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 812 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
1M84.1Confident93.9Very high79 Ų7961.9 Ų61.939%0.38931%0.308SS..  0127.60-171.2175.3-62.600108.7E5 F6 L9 W83M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 HydrophobicContact CG-CG 4.21Å; M1-F6 HydrophobicContact CG-CB 4.25Å; M1-F6 HydrophobicContact SD-CB 4.02Å; M1-F6 HydrophobicContact SD-CD2 4.11Å; M1-L9 HydrophobicContact CE-CD1 3.7Å; M1-L9 HydrophobicContact SD-CD1 4.22Å; M1-W83 HydrophobicContact CB-CH2 4.33Å; M1-W83 HydrophobicContact CB-CZ2 3.95Å; M1-W83 HydrophobicContact CE-CH2 3.34Å; M1-W83 HydrophobicContact CE-CZ2 4.03Å; M1-W83 HydrophobicContact CE-CZ3 3.98Å; M1-W83 HydrophobicContact SD-CH2 3.69Å; M1-W83 HydrophobicContact SD-CZ2 4.25Å; M1-W83 HydrophobicContact SD-CZ3 3.87Å
2N90.9Very high94.1Very high92 Ų9263.5 Ų63.549%0.49231%0.314SS..  trans-102.4170.5174.568.343.7000111.6T4 E5 F6N2-T4 PolarHBondContact O-N 2.83Å; N2-T4 PolarHBondContact OD1-N 3.46Å; N2-T4 VanDerWaalsContact OD1-N 3.16Å; N2-E5 PolarHBondContact N-OE2 3.26Å; N2-E5 PolarHBondContact O-N 3.49Å; N2-E5 WeakPolarHBondContact OD1-CB 3.39Å; N2-E5 PolarHBondContact OD1-N 3.21Å; N2-F6 WeakPolarHBondContact O-CB 3.19Å; N2-F6 PolarHBondContact O-N 2.92Å
3K94.4Very high94.1Very high58 Ų5864.6 Ų64.625%0.25231%0.313SS..Hα-helixtrans-55.3-44-178.2174.8158.666.2177.80113.7F6 K7 M86 E89 A90 E93K3-F6 PolarHBondContact O-N 2.62Å; K3-K7 WeakPolarHBondContact O-CG 3.27Å; K3-K7 PolarHBondContact O-N 3.11Å; K3-M86 HydrophobicContact CB-CG 4.27Å; K3-M86 HydrophobicContact CB-SD 4.4Å; K3-E89 HydrophobicContact CD-CB 4.16Å; K3-E89 IonicContact NZ-OE2 3.46Å; K3-E89 PolarHBondContact NZ-OE2 2.81Å; K3-A90 HydrophobicContact CD-CB 4.11Å; K3-A90 HydrophobicContact CG-CB 3.78Å; K3-E93 WeakPolarHBondContact CD-OE1 3.48Å; K3-E93 WeakPolarHBondContact CE-OE1 3.47Å; K3-E93 IonicContact NZ-OE1 3.85Å; K3-E93 PolarHBondContact NZ-OE1 2.6Å
4T94.6Very high94.3Very high105 Ų10560.1 Ų60.164%0.64429%0.291SS*.Hα-helixtrans-64.7-44.7179.6-57.20000111.6N2 R8N2-T4 PolarHBondContact O-N 2.83Å; N2-T4 PolarHBondContact OD1-N 3.46Å; N2-T4 VanDerWaalsContact OD1-N 3.16Å; T4-R8 PolarHBondContact O-N 2.9Å
5E94.4Very high94.3Very high76 Ų7659.5 Ų59.536%0.35530%0.299SS..Hα-helixtrans-63.4-43.8176.5-176.6-179-160.100111.5M1 N2 R8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 HydrophobicContact CG-CG 4.21Å; N2-E5 PolarHBondContact N-OE2 3.26Å; N2-E5 PolarHBondContact O-N 3.49Å; N2-E5 WeakPolarHBondContact OD1-CB 3.39Å; N2-E5 PolarHBondContact OD1-N 3.21Å; E5-R8 PolarHBondContact O-N 3.35Å; E5-L9 HydrophobicContact CG-CD1 3.96Å; E5-L9 HydrophobicContact CG-CG 4.44Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CG 3.36Å; E5-L9 PolarHBondContact O-N 3.15Å
6F96.2Very high94.3Very high0 Ų063.3 Ų63.30%032%0.316CS..Hα-helixtrans-57.6-51.5176.5170.7-91.2000111.5M1 N2 K3 R8 L9 F10 L34 L37 M86 V87 A90 L91M1-F6 HydrophobicContact CG-CB 4.25Å; M1-F6 HydrophobicContact SD-CB 4.02Å; M1-F6 HydrophobicContact SD-CD2 4.11Å; N2-F6 WeakPolarHBondContact O-CB 3.19Å; N2-F6 PolarHBondContact O-N 2.92Å; K3-F6 PolarHBondContact O-N 2.62Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.76Å; F6-L9 PolarHBondContact O-N 3.43Å; F6-F10 HydrophobicContact CE1-CB 4.29Å; F6-F10 HydrophobicContact CZ-CB 4.33Å; F6-F10 HydrophobicContact CZ-CD2 4.16Å; F6-F10 HydrophobicContact CZ-CG 4.41Å; F6-F10 VanDerWaalsContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CB 3.37Å; F6-F10 PolarHBondContact O-N 3.27Å; F6-L34 HydrophobicContact CE2-CD1 3.76Å; F6-L34 HydrophobicContact CZ-CD1 3.69Å; F6-L37 HydrophobicContact CD2-CD2 3.8Å; F6-L37 HydrophobicContact CE2-CD2 3.7Å; F6-M86 HydrophobicContact CB-CE 4.25Å; F6-M86 HydrophobicContact CB-SD 3.83Å; F6-M86 HydrophobicContact CG-SD 4.13Å; F6-V87 HydrophobicContact CD2-CG2 3.86Å; F6-V87 HydrophobicContact CE1-CG1 4.3Å; F6-V87 HydrophobicContact CE1-CG2 4.47Å; F6-V87 HydrophobicContact CE2-CB 4.42Å; F6-V87 HydrophobicContact CE2-CG1 4.12Å; F6-V87 HydrophobicContact CE2-CG2 3.58Å; F6-V87 HydrophobicContact CG-CG2 4.41Å; F6-V87 HydrophobicContact CZ-CB 4.27Å; F6-V87 HydrophobicContact CZ-CG1 3.69Å; F6-V87 HydrophobicContact CZ-CG2 3.92Å; F6-A90 HydrophobicContact CD1-CB 3.37Å; F6-A90 HydrophobicContact CE1-CB 3.71Å; F6-A90 HydrophobicContact CG-CB 4.41Å; F6-L91 HydrophobicContact CE1-CD2 4.19Å; F6-L91 HydrophobicContact CE1-CG 4.23Å; F6-L91 HydrophobicContact CZ-CD2 4.31Å; F6-L91 HydrophobicContact CZ-CG 4.38Å
7K96Very high94.2Very high54 Ų5464.8 Ų64.824%0.23532%0.32CS..Hα-helixtrans-58.1-43.5179.9-69.8-171.7-60.8-178.50111.7K3 F10 S11 A90 E93 L94K3-K7 WeakPolarHBondContact O-CG 3.27Å; K3-K7 PolarHBondContact O-N 3.11Å; K7-F10 PolarHBondContact O-N 3.3Å; K7-S11 PolarHBondContact O-N 2.78Å; K7-S11 PolarHBondContact O-OG 2.67Å; K7-A90 HydrophobicContact CD-CB 4.49Å; K7-A90 HydrophobicContact CG-CB 3.94Å; K7-E93 HydrophobicContact CD-CB 4.33Å; K7-E93 IonicContact NZ-OE2 2.87Å; K7-E93 PolarHBondContact NZ-OE2 2.82Å; K7-L94 HydrophobicContact CB-CD1 4.37Å; K7-L94 HydrophobicContact CD-CD1 4.45Å; K7-L94 HydrophobicContact CD-CD2 4.24Å; K7-L94 HydrophobicContact CD-CG 4.1Å; K7-L94 HydrophobicContact CG-CD1 4.07Å; K7-L94 HydrophobicContact CG-CG 4.27Å
8R95.5Very high94.3Very high133 Ų13364.4 Ų64.450%0.50232%0.316SS..Hα-helixtrans-60.5-49.1177.2-172.3-169.363.970.61.1111.4T4 E5 F6 Q12T4-R8 PolarHBondContact O-N 2.9Å; E5-R8 PolarHBondContact O-N 3.35Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.76Å; R8-Q12 WeakPolarHBondContact O-CB 3.46Å; R8-Q12 PolarHBondContact O-N 3.32Å
9L95.5Very high94.2Very high38 Ų3866.1 Ų66.120%0.19934%0.342CS..Hα-helixtrans-66.1-38.1179.4-72.2173.9000112.1M1 E5 F6 Q12 R13 L37M1-L9 HydrophobicContact CE-CD1 3.7Å; M1-L9 HydrophobicContact SD-CD1 4.22Å; E5-L9 HydrophobicContact CG-CD1 3.96Å; E5-L9 HydrophobicContact CG-CG 4.44Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CG 3.36Å; E5-L9 PolarHBondContact O-N 3.15Å; F6-L9 PolarHBondContact O-N 3.43Å; L9-Q12 PolarHBondContact O-N 2.92Å; L9-R13 WeakPolarHBondContact O-CB 3.07Å; L9-R13 PolarHBondContact O-N 3.05Å; L9-L37 HydrophobicContact CB-CD1 3.98Å; L9-L37 HydrophobicContact CB-CD2 4.28Å; L9-L37 HydrophobicContact CD1-CD1 4.41Å
10F96.5Very high94.1Very high0 Ų064.7 Ų64.70%033%0.334CS..Hα-helixtrans-63.4-52.2177.3-177.9-96.1000111.2F6 K7 Q12 R13 L14 V22 L30 T33 L34 L37 L91 L94 I96F6-F10 HydrophobicContact CE1-CB 4.29Å; F6-F10 HydrophobicContact CZ-CB 4.33Å; F6-F10 HydrophobicContact CZ-CD2 4.16Å; F6-F10 HydrophobicContact CZ-CG 4.41Å; F6-F10 VanDerWaalsContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CB 3.37Å; F6-F10 PolarHBondContact O-N 3.27Å; K7-F10 PolarHBondContact O-N 3.3Å; F10-Q12 VanDerWaalsContact C-N 3.34Å; F10-Q12 PolarHBondContact O-N 3.47Å; F10-R13 PolarHBondContact O-N 2.93Å; F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 2.91Å; F10-V22 HydrophobicContact CE1-CG2 4.39Å; F10-L30 HydrophobicContact CE1-CD2 4.01Å; F10-L30 HydrophobicContact CZ-CB 4.49Å; F10-L30 HydrophobicContact CZ-CD2 3.85Å; F10-T33 HydrophobicContact CD2-CG2 3.8Å; F10-T33 HydrophobicContact CE2-CG2 3.65Å; F10-T33 HydrophobicContact CG-CG2 4.37Å; F10-T33 HydrophobicContact CZ-CG2 4.12Å; F10-T33 WeakPolarHBondContact O-CG2 3.38Å; F10-L34 HydrophobicContact CD2-CD1 4.44Å; F10-L34 HydrophobicContact CE2-CB 3.9Å; F10-L34 HydrophobicContact CE2-CD1 4.48Å; F10-L37 HydrophobicContact CB-CD2 4.46Å; F10-L91 HydrophobicContact CE1-CD2 4.22Å; F10-L91 HydrophobicContact CE2-CD2 4.24Å; F10-L91 HydrophobicContact CZ-CD2 4.05Å; F10-L94 HydrophobicContact CD1-CD1 3.96Å; F10-L94 HydrophobicContact CE1-CD1 4.46Å; F10-I96 HydrophobicContact CE1-CD1 3.85Å; F10-I96 HydrophobicContact CZ-CD1 4.2Å
11S95.2Very high94Very high46 Ų4668.1 Ų68.132%0.32235%0.348SS..Hα-helixtrans-62.4-40.3176.6-61.70000112.3K7 L14 A15K7-S11 PolarHBondContact O-N 2.78Å; K7-S11 PolarHBondContact O-OG 2.67Å; S11-L14 PolarHBondContact O-N 3.4Å; S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.84Å
12Q95.4Very high94.3Very high81 Ų8165.6 Ų65.638%0.37934%0.337SS..Hα-helixtrans-61.1-47.2174.7179.1179.9-6.200111.3R8 L9 F10 L14 A15 E16R8-Q12 WeakPolarHBondContact O-CB 3.46Å; R8-Q12 PolarHBondContact O-N 3.32Å; L9-Q12 PolarHBondContact O-N 2.92Å; F10-Q12 VanDerWaalsContact C-N 3.34Å; F10-Q12 PolarHBondContact O-N 3.47Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.27Å; Q12-A15 PolarHBondContact O-N 3.31Å; Q12-E16 HydrophobicContact CG-CG 4.4Å; Q12-E16 VanDerWaalsContact CG-OE1 3.26Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.36Å; Q12-E16 PolarHBondContact NE2-OE1 3.42Å; Q12-E16 WeakPolarHBondContact O-CB 3.39Å; Q12-E16 VanDerWaalsContact O-CG 3.3Å; Q12-E16 WeakPolarHBondContact O-CG 3.38Å; Q12-E16 PolarHBondContact O-N 2.99Å
13R95Very high94.3Very high78 Ų7868.1 Ų68.129%0.29435%0.351SS..Hα-helixtrans-64.7-37.7-179.8-172.262.8161.2-165.1-7.7112.2L9 F10 E16 K17 T33 S36L9-R13 WeakPolarHBondContact O-CB 3.07Å; L9-R13 PolarHBondContact O-N 3.05Å; F10-R13 PolarHBondContact O-N 2.93Å; R13-E16 PolarHBondContact O-N 2.81Å; R13-K17 VanDerWaalsContact O-CB 3.23Å; R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 3.11Å; R13-T33 HydrophobicContact CB-CG2 3.92Å; R13-T33 HydrophobicContact CG-CG2 3.99Å; R13-S36 WeakPolarHBondContact CG-OG 3.18Å; R13-S36 PolarHBondContact NE-OG 3.37Å; R13-S36 PolarHBondContact NH2-O 2.88Å
14L95.8Very high94.3Very high1 Ų170.9 Ų70.91%0.00537%0.368CS..Hα-helixtrans-61.8-49.4174.6-176.364.7000110.5F10 S11 Q12 E16 K17 F18 M20 V22 A25 L30 T33F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 2.91Å; S11-L14 PolarHBondContact O-N 3.4Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.27Å; L14-E16 PolarHBondContact O-N 2.96Å; L14-K17 PolarHBondContact O-N 3.35Å; L14-F18 HydrophobicContact CD1-CD2 3.98Å; L14-F18 PolarHBondContact O-N 2.98Å; L14-M20 HydrophobicContact CD1-CG 3.94Å; L14-M20 HydrophobicContact CD1-SD 4.09Å; L14-M20 HydrophobicContact CD2-CG 4.43Å; L14-M20 HydrophobicContact CG-CG 3.92Å; L14-V22 HydrophobicContact CD2-CB 4.38Å; L14-V22 HydrophobicContact CD2-CG2 3.88Å; L14-A25 HydrophobicContact CD1-CB 3.93Å; L14-A25 HydrophobicContact CD2-CB 4.06Å; L14-L30 HydrophobicContact CD1-CD2 4.49Å; L14-L30 HydrophobicContact CD2-CD2 4.22Å; L14-T33 HydrophobicContact CB-CG2 3.88Å; L14-T33 HydrophobicContact CD1-CG2 4.49Å; L14-T33 VanDerWaalsContact CD1-OG1 3.26Å; L14-T33 WeakPolarHBondContact CD1-OG1 3.39Å
15A95.3Very high94.2Very high51 Ų5166.7 Ų66.742%0.42134%0.344SS..Hα-helixtrans-62.7-40.9177.700000112.3S11 Q12 A19S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.84Å; Q12-A15 PolarHBondContact O-N 3.31Å; A15-A19 WeakPolarHBondContact O-CA 3.03Å; A15-A19 PolarHBondContact O-N 2.98Å
16E94.4Very high94.2Very high120 Ų12065.2 Ų65.256%0.56134%0.343SS*.Hα-helixtrans-67.2-41.1177.8-74.8170.8-177.500112.9Q12 R13 L14Q12-E16 HydrophobicContact CG-CG 4.4Å; Q12-E16 VanDerWaalsContact CG-OE1 3.26Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.36Å; Q12-E16 PolarHBondContact NE2-OE1 3.42Å; Q12-E16 WeakPolarHBondContact O-CB 3.39Å; Q12-E16 VanDerWaalsContact O-CG 3.3Å; Q12-E16 WeakPolarHBondContact O-CG 3.38Å; Q12-E16 PolarHBondContact O-N 2.99Å; R13-E16 PolarHBondContact O-N 2.81Å; L14-E16 PolarHBondContact O-N 2.96Å
17K93Very high94.1Very high89 Ų8968.8 Ų68.839%0.38737%0.366SS..Hα-helixtrans-84.8-33.1-173.8-171.5170.8173176.20112.9R13 L14 Q32R13-K17 VanDerWaalsContact O-CB 3.23Å; R13-K17 WeakPolarHBondContact O-CB 3.43Å; R13-K17 PolarHBondContact O-N 3.11Å; L14-K17 PolarHBondContact O-N 3.35Å; K17-Q32 PolarHBondContact NZ-O 3.32Å
18F94.4Very high94Very high59 Ų5968.5 Ų68.526%0.25937%0.366SS..Hα-helixtrans-130.8-1.5-169.8-62.7-72.9000114.5L14 M20 E29 Q32L14-F18 HydrophobicContact CD1-CD2 3.98Å; L14-F18 PolarHBondContact O-N 2.98Å; F18-M20 VanDerWaalsContact C-N 3.27Å; F18-M20 HydrophobicContact CB-CE 3.82Å; F18-M20 HydrophobicContact CB-CG 3.67Å; F18-M20 HydrophobicContact CB-SD 3.63Å; F18-M20 HydrophobicContact CG-SD 4.36Å; F18-M20 PolarHBondContact O-N 3.36Å; F18-E29 HydrophobicContact CD1-CB 4.42Å; F18-E29 HydrophobicContact CD1-CG 3.78Å; F18-E29 HydrophobicContact CD2-CB 4.08Å; F18-E29 HydrophobicContact CD2-CG 4.33Å; F18-E29 HydrophobicContact CE1-CB 4.38Å; F18-E29 HydrophobicContact CE1-CG 3.72Å; F18-E29 HydrophobicContact CE2-CB 4Å; F18-E29 HydrophobicContact CE2-CG 4.25Å; F18-E29 WeakPolarHBondContact CE2-O 3.36Å; F18-E29 HydrophobicContact CG-CB 4.27Å; F18-E29 HydrophobicContact CG-CG 4.09Å; F18-E29 HydrophobicContact CZ-CB 4.16Å; F18-E29 HydrophobicContact CZ-CG 3.95Å; F18-Q32 HydrophobicContact CE2-CB 4.01Å; F18-Q32 HydrophobicContact CZ-CB 3.76Å
19A93.5Very high93.9Very high96 Ų9664.3 Ų64.379%0.79335%0.353SS*.SBendtrans54.439179.400000114.1A15A15-A19 WeakPolarHBondContact O-CA 3.03Å; A15-A19 PolarHBondContact O-N 2.98Å
20M92.5Very high94Very high38 Ų3863.2 Ų63.219%0.18735%0.347CS..  trans-139159.7-174.662.6-176.144.400112.6L14 F18 D24 A25 E29L14-M20 HydrophobicContact CD1-CG 3.94Å; L14-M20 HydrophobicContact CD1-SD 4.09Å; L14-M20 HydrophobicContact CD2-CG 4.43Å; L14-M20 HydrophobicContact CG-CG 3.92Å; F18-M20 VanDerWaalsContact C-N 3.27Å; F18-M20 HydrophobicContact CB-CE 3.82Å; F18-M20 HydrophobicContact CB-CG 3.67Å; F18-M20 HydrophobicContact CB-SD 3.63Å; F18-M20 HydrophobicContact CG-SD 4.36Å; F18-M20 PolarHBondContact O-N 3.36Å; M20-D24 HydrophobicContact CB-CB 4.3Å; M20-A25 HydrophobicContact CG-CB 4.36Å; M20-A25 VanDerWaalsContact SD-CA 3.58Å; M20-A25 HydrophobicContact SD-CB 3.56Å; M20-A25 VanDerWaalsContact SD-CB 3.56Å; M20-E29 WeakPolarHBondContact CE-OE1 3.46Å; M20-E29 HydrophobicContact SD-CB 4.09Å; M20-E29 HydrophobicContact SD-CG 4.28Å
21E91.1Very high94Very high137 Ų13763.7 Ų63.764%0.6435%0.349SS*.  trans-88.7167.6169.2-63.2-169.5177.100111.2N23 D24 A25E21-N23 PolarHBondContact O-N 3.23Å; E21-D24 PolarHBondContact O-N 3Å; E21-D24 VanDerWaalsContact O-N 3.13Å; E21-A25 PolarHBondContact O-N 3.22Å
22V91.2Very high94Very high26 Ų2662.8 Ų62.816%0.15834%0.34CS..G310 helixtrans-56.6-39.2-178.5171.20000112.3F10 L14 D24 A25 L94 I96F10-V22 HydrophobicContact CE1-CG2 4.39Å; L14-V22 HydrophobicContact CD2-CB 4.38Å; L14-V22 HydrophobicContact CD2-CG2 3.88Å; V22-D24 PolarHBondContact O-N 3.44Å; V22-A25 PolarHBondContact O-N 3.47Å; V22-L94 HydrophobicContact CG1-CB 4.47Å; V22-I96 HydrophobicContact CG1-CD1 3.76Å; V22-I96 HydrophobicContact CG1-CG1 4.15Å
23N90.6Very high94Very high145 Ų14559 Ų5978%0.77532%0.322SS*.G310 helixtrans-70.2-18.2-177-65.4-31.3000113.7E21E21-N23 PolarHBondContact O-N 3.23Å
24D93.1Very high94.1Very high116 Ų11655.2 Ų55.262%0.6231%0.308SS*.G310 helixtrans-99.4-9.8-178.1-57.8-49.7000112.4M20 E21 V22M20-D24 HydrophobicContact CB-CB 4.3Å; E21-D24 PolarHBondContact O-N 3Å; E21-D24 VanDerWaalsContact O-N 3.13Å; V22-D24 PolarHBondContact O-N 3.44Å
25A94.6Very high94.2Very high17 Ų1755.2 Ų55.214%0.1431%0.307CS..  trans-83.8134.6-172.200000112.8L14 M20 E21 V22 E29 L30L14-A25 HydrophobicContact CD1-CB 3.93Å; L14-A25 HydrophobicContact CD2-CB 4.06Å; M20-A25 HydrophobicContact CG-CB 4.36Å; M20-A25 VanDerWaalsContact SD-CA 3.58Å; M20-A25 HydrophobicContact SD-CB 3.56Å; M20-A25 VanDerWaalsContact SD-CB 3.56Å; E21-A25 PolarHBondContact O-N 3.22Å; V22-A25 PolarHBondContact O-N 3.47Å; A25-E29 HydrophobicContact CB-CB 4.27Å; A25-L30 HydrophobicContact CB-CD2 3.65Å; A25-L30 HydrophobicContact CB-CG 3.78Å
26S93.8Very high94.2Very high45 Ų4553.2 Ų53.232%0.31529%0.291SS..  trans-69.1159.216968.30000111.6N28 E29 L30S26-N28 PolarHBondContact O-N 2.78Å; S26-N28 VanDerWaalsContact O-N 3.09Å; S26-E29 VanDerWaalsContact CB-OE2 3.23Å; S26-E29 WeakPolarHBondContact CB-OE2 3.32Å; S26-E29 PolarHBondContact N-OE2 3.27Å; S26-E29 PolarHBondContact O-N 3.2Å; S26-E29 VanDerWaalsContact OG-CD 3.22Å; S26-E29 WeakPolarHBondContact OG-CG 3.37Å; S26-E29 PolarHBondContact OG-N 3.37Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; S26-L30 WeakPolarHBondContact O-CG 3.35Å; S26-L30 PolarHBondContact O-N 2.99Å
27P93.2Very high94.2Very high75 Ų7548.1 Ų48.149%0.48727%0.267SS..Hα-helixtrans-53.5-33.4174-28.735.9000113.5Y31 V104P27-Y31 VanDerWaalsContact O-CB 3.25Å; P27-Y31 WeakPolarHBondContact O-CB 3.27Å; P27-Y31 PolarHBondContact O-N 3.04Å; P27-V104 HydrophobicContact CB-CG2 3.65Å
28N93.3Very high94.3Very high47 Ų4743.9 Ų43.925%0.25125%0.249SC..Hα-helixtrans-69.8-40.5176.9-174.182.8000112.7S26 Y31 Q32 V104S26-N28 PolarHBondContact O-N 2.78Å; S26-N28 VanDerWaalsContact O-N 3.09Å; N28-Y31 PolarHBondContact O-N 3.07Å; N28-Q32 WeakPolarHBondContact O-CB 3.44Å; N28-Q32 WeakPolarHBondContact O-CG 3.44Å; N28-Q32 PolarHBondContact O-N 3Å; N28-V104 HydrophobicContact CB-CG1 4.25Å
29E95.1Very high94.4Very high46 Ų4642.5 Ų42.522%0.21525%0.245CC..Hα-helixtrans-68.7-39177.3-71.115515400111.2F18 M20 A25 S26 Q32 T33F18-E29 HydrophobicContact CD1-CB 4.42Å; F18-E29 HydrophobicContact CD1-CG 3.78Å; F18-E29 HydrophobicContact CD2-CB 4.08Å; F18-E29 HydrophobicContact CD2-CG 4.33Å; F18-E29 HydrophobicContact CE1-CB 4.38Å; F18-E29 HydrophobicContact CE1-CG 3.72Å; F18-E29 HydrophobicContact CE2-CB 4Å; F18-E29 HydrophobicContact CE2-CG 4.25Å; F18-E29 WeakPolarHBondContact CE2-O 3.36Å; F18-E29 HydrophobicContact CG-CB 4.27Å; F18-E29 HydrophobicContact CG-CG 4.09Å; F18-E29 HydrophobicContact CZ-CB 4.16Å; F18-E29 HydrophobicContact CZ-CG 3.95Å; M20-E29 WeakPolarHBondContact CE-OE1 3.46Å; M20-E29 HydrophobicContact SD-CB 4.09Å; M20-E29 HydrophobicContact SD-CG 4.28Å; A25-E29 HydrophobicContact CB-CB 4.27Å; S26-E29 VanDerWaalsContact CB-OE2 3.23Å; S26-E29 WeakPolarHBondContact CB-OE2 3.32Å; S26-E29 PolarHBondContact N-OE2 3.27Å; S26-E29 PolarHBondContact O-N 3.2Å; S26-E29 VanDerWaalsContact OG-CD 3.22Å; S26-E29 WeakPolarHBondContact OG-CG 3.37Å; S26-E29 PolarHBondContact OG-N 3.37Å; S26-E29 PolarHBondContact OG-OE2 2.94Å; E29-Q32 PolarHBondContact O-N 2.77Å; E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.3Å; E29-T33 PolarHBondContact O-N 3.41Å; E29-T33 PolarHBondContact O-OG1 3.34Å
30L96.6Very high94.4Very high14 Ų1440.5 Ų40.57%0.07323%0.225CC..Hα-helixtrans-63.4-46.5173.1-66175000111.8F10 L14 A25 S26 T33 L34 I96 L101F10-L30 HydrophobicContact CE1-CD2 4.01Å; F10-L30 HydrophobicContact CZ-CB 4.49Å; F10-L30 HydrophobicContact CZ-CD2 3.85Å; L14-L30 HydrophobicContact CD1-CD2 4.49Å; L14-L30 HydrophobicContact CD2-CD2 4.22Å; A25-L30 HydrophobicContact CB-CD2 3.65Å; A25-L30 HydrophobicContact CB-CG 3.78Å; S26-L30 WeakPolarHBondContact O-CG 3.35Å; S26-L30 PolarHBondContact O-N 2.99Å; L30-T33 WeakPolarHBondContact O-CB 3.3Å; L30-T33 PolarHBondContact O-N 3.42Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.9Å; L30-I96 HydrophobicContact CD1-CD1 4.08Å; L30-I96 HydrophobicContact CD1-CG1 4.06Å; L30-I96 HydrophobicContact CD1-CG2 4.3Å; L30-I96 HydrophobicContact CD2-CD1 3.84Å; L30-L101 HydrophobicContact CB-CD1 4.25Å; L30-L101 HydrophobicContact CB-CD2 3.52Å; L30-L101 HydrophobicContact CD1-CD2 4.24Å
31Y96.3Very high94.4Very high10 Ų1040.4 Ų40.44%0.03923%0.227CC..Hα-helixtrans-58.6-49.6174.3165.2-111.4000111.8P27 N28 T33 L34 G35 L74 V104 E105 L167P27-Y31 VanDerWaalsContact O-CB 3.25Å; P27-Y31 WeakPolarHBondContact O-CB 3.27Å; P27-Y31 PolarHBondContact O-N 3.04Å; N28-Y31 PolarHBondContact O-N 3.07Å; Y31-T33 VanDerWaalsContact C-N 3.26Å; Y31-T33 PolarHBondContact O-N 2.91Å; Y31-L34 PolarHBondContact O-N 3.17Å; Y31-G35 PolarHBondContact O-N 2.53Å; Y31-L74 HydrophobicContact CD2-CD2 4.1Å; Y31-L74 HydrophobicContact CE2-CB 4.46Å; Y31-L74 HydrophobicContact CE2-CD2 4.29Å; Y31-V104 HydrophobicContact CD1-CG1 3.99Å; Y31-V104 HydrophobicContact CG-CB 4.33Å; Y31-V104 HydrophobicContact CG-CG1 4.2Å; Y31-E105 HydrophobicContact CD2-CB 4.49Å; Y31-E105 HydrophobicContact CE2-CB 3.65Å; Y31-E105 HydrophobicContact CE2-CG 4.19Å; Y31-E105 VanDerWaalsContact OH-CG 3.28Å; Y31-E105 WeakPolarHBondContact OH-CG 3.33Å; Y31-L167 HydrophobicContact CD1-CD2 4.12Å; Y31-L167 HydrophobicContact CD2-CD2 4.43Å; Y31-L167 HydrophobicContact CE1-CD2 3.39Å; Y31-L167 HydrophobicContact CE2-CD2 3.74Å; Y31-L167 WeakPolarHBondContact OH-CD2 3.44Å
32Q95.2Very high94.6Very high28 Ų2834 Ų3413%0.13120%0.197CC..Hα-helixtrans-64.1-31178.7-76.2-69.5-23.100112.8K17 F18 N28 E29 S36K17-Q32 PolarHBondContact NZ-O 3.32Å; F18-Q32 HydrophobicContact CE2-CB 4.01Å; F18-Q32 HydrophobicContact CZ-CB 3.76Å; N28-Q32 WeakPolarHBondContact O-CB 3.44Å; N28-Q32 WeakPolarHBondContact O-CG 3.44Å; N28-Q32 PolarHBondContact O-N 3Å; E29-Q32 PolarHBondContact O-N 2.77Å; Q32-S36 WeakPolarHBondContact O-CB 3.33Å; Q32-S36 PolarHBondContact O-N 3.28Å; Q32-S36 PolarHBondContact O-OG 3.17Å
33T96.6Very high94.8Very high0 Ų035.3 Ų35.30%021%0.207CC..Hα-helixtrans-69.3-53.5173.8-63.20000109.9F10 R13 L14 E29 L30 Y31 G35 S36 L37F10-T33 HydrophobicContact CD2-CG2 3.8Å; F10-T33 HydrophobicContact CE2-CG2 3.65Å; F10-T33 HydrophobicContact CG-CG2 4.37Å; F10-T33 HydrophobicContact CZ-CG2 4.12Å; F10-T33 WeakPolarHBondContact O-CG2 3.38Å; R13-T33 HydrophobicContact CB-CG2 3.92Å; R13-T33 HydrophobicContact CG-CG2 3.99Å; L14-T33 HydrophobicContact CB-CG2 3.88Å; L14-T33 HydrophobicContact CD1-CG2 4.49Å; L14-T33 VanDerWaalsContact CD1-OG1 3.26Å; L14-T33 WeakPolarHBondContact CD1-OG1 3.39Å; E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.3Å; E29-T33 PolarHBondContact O-N 3.41Å; E29-T33 PolarHBondContact O-OG1 3.34Å; L30-T33 WeakPolarHBondContact O-CB 3.3Å; L30-T33 PolarHBondContact O-N 3.42Å; Y31-T33 VanDerWaalsContact C-N 3.26Å; Y31-T33 PolarHBondContact O-N 2.91Å; T33-G35 PolarHBondContact O-N 3.31Å; T33-S36 PolarHBondContact O-N 3.26Å; T33-S36 PolarHBondContact O-OG 3.03Å; T33-L37 PolarHBondContact O-N 3.3Å; T33-L37 VanDerWaalsContact O-N 3.08Å
34L97Very high94.9Very high0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-57.4-52.8-179.9-177.255.1000111.4F6 F10 L30 Y31 S36 L37 L38 L74 V87 L91 L98 L101F6-L34 HydrophobicContact CE2-CD1 3.76Å; F6-L34 HydrophobicContact CZ-CD1 3.69Å; F10-L34 HydrophobicContact CD2-CD1 4.44Å; F10-L34 HydrophobicContact CE2-CB 3.9Å; F10-L34 HydrophobicContact CE2-CD1 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.9Å; Y31-L34 PolarHBondContact O-N 3.17Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.48Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.62Å; L34-L37 VanDerWaalsContact O-N 3.1Å; L34-L38 HydrophobicContact CD1-CD1 3.74Å; L34-L38 HydrophobicContact CG-CD1 4.19Å; L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.29Å; L34-L38 PolarHBondContact O-N 3.4Å; L34-L38 VanDerWaalsContact O-N 3.09Å; L34-L74 HydrophobicContact CD2-CD1 3.79Å; L34-L74 HydrophobicContact CD2-CD2 4.16Å; L34-L74 HydrophobicContact CD2-CG 4.48Å; L34-L74 HydrophobicContact CG-CD1 3.94Å; L34-V87 HydrophobicContact CD1-CG1 4.05Å; L34-V87 HydrophobicContact CD2-CG1 4.41Å; L34-L91 HydrophobicContact CD2-CD1 4Å; L34-L98 HydrophobicContact CD2-CD1 3.93Å; L34-L101 HydrophobicContact CD2-CD1 3.95Å
35G96.6Very high95Very high0 Ų032.5 Ų32.50%019%0.187CC..Hα-helixtrans-56.6-43.2178.200000112Y31 T33 L37 L38 T39Y31-G35 PolarHBondContact O-N 2.53Å; T33-G35 PolarHBondContact O-N 3.31Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.21Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.41Å; G35-T39 VanDerWaalsContact O-CG2 3.23Å; G35-T39 WeakPolarHBondContact O-CG2 3.35Å; G35-T39 PolarHBondContact O-N 3.2Å; G35-T39 PolarHBondContact O-OG1 3.49Å
36S95.2Very high95.1Very high10 Ų1033 Ų337%0.0719%0.186CC..Hα-helixtrans-67.6-26.6179.179.10000114.6R13 Q32 T33 L34 T39 S40R13-S36 WeakPolarHBondContact CG-OG 3.18Å; R13-S36 PolarHBondContact NE-OG 3.37Å; R13-S36 PolarHBondContact NH2-O 2.88Å; Q32-S36 WeakPolarHBondContact O-CB 3.33Å; Q32-S36 PolarHBondContact O-N 3.28Å; Q32-S36 PolarHBondContact O-OG 3.17Å; T33-S36 PolarHBondContact O-N 3.26Å; T33-S36 PolarHBondContact O-OG 3.03Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.48Å; S36-T39 WeakPolarHBondContact CA-OG1 3.33Å; S36-T39 PolarHBondContact O-OG1 3.27Å; S36-S40 VanDerWaalsContact O-CB 3.23Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 2.95Å; S36-S40 VanDerWaalsContact O-N 3.11Å
37L95.4Very high95.1Very high13 Ų1337.6 Ų37.67%0.06820%0.202CC..Hα-helixtrans-73.5-42.7174.317962.2000110.4F6 L9 F10 T33 L34 G35 T41F6-L37 HydrophobicContact CD2-CD2 3.8Å; F6-L37 HydrophobicContact CE2-CD2 3.7Å; L9-L37 HydrophobicContact CB-CD1 3.98Å; L9-L37 HydrophobicContact CB-CD2 4.28Å; L9-L37 HydrophobicContact CD1-CD1 4.41Å; F10-L37 HydrophobicContact CB-CD2 4.46Å; T33-L37 PolarHBondContact O-N 3.3Å; T33-L37 VanDerWaalsContact O-N 3.08Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.62Å; L34-L37 VanDerWaalsContact O-N 3.1Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.21Å; L37-T41 PolarHBondContact O-N 3.36Å; L37-T41 VanDerWaalsContact O-N 3.08Å; L37-T41 PolarHBondContact O-OG1 3.47Å
38L95.6Very high95.2Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-60.9-52.8174.2-90.867.9000111.1L34 G35 S40 T41 Y42 L74 N77 L78 M81 W83 W168L34-L38 HydrophobicContact CD1-CD1 3.74Å; L34-L38 HydrophobicContact CG-CD1 4.19Å; L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.29Å; L34-L38 PolarHBondContact O-N 3.4Å; L34-L38 VanDerWaalsContact O-N 3.09Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.41Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.54Å; L38-T41 WeakPolarHBondContact O-CB 3.44Å; L38-T41 PolarHBondContact O-N 3.36Å; L38-Y42 WeakPolarHBondContact O-CD1 3.38Å; L38-Y42 PolarHBondContact O-N 2.6Å; L38-L74 HydrophobicContact CD2-CD1 4.22Å; L38-N77 HydrophobicContact CD2-CB 4.06Å; L38-L78 HydrophobicContact CD1-CD2 3.93Å; L38-L78 HydrophobicContact CD2-CD2 3.78Å; L38-L78 HydrophobicContact CD2-CG 3.84Å; L38-L78 HydrophobicContact CG-CD2 4.27Å; L38-M81 HydrophobicContact CB-SD 4.45Å; L38-M81 HydrophobicContact CD2-SD 4.42Å; L38-M81 HydrophobicContact CG-SD 4.04Å; L38-W83 HydrophobicContact CD1-CE3 4.49Å; L38-W168 HydrophobicContact CB-CZ3 4.34Å; L38-W168 HydrophobicContact CD2-CH2 4.17Å; L38-W168 HydrophobicContact CD2-CZ3 4.38Å
39T96.1Very high95.3Very high30 Ų3036.1 Ų36.118%0.18419%0.188CC..Hα-helixtrans-61.7-40.5-178.964.70000112.1G35 S36 T41 Y42 S43 L167 W168G35-T39 VanDerWaalsContact O-CG2 3.23Å; G35-T39 WeakPolarHBondContact O-CG2 3.35Å; G35-T39 PolarHBondContact O-N 3.2Å; G35-T39 PolarHBondContact O-OG1 3.49Å; S36-T39 WeakPolarHBondContact CA-OG1 3.33Å; S36-T39 PolarHBondContact O-OG1 3.27Å; T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.38Å; T39-Y42 HydrophobicContact CG2-CE1 3.8Å; T39-Y42 WeakPolarHBondContact CG2-OH 3.39Å; T39-S43 WeakPolarHBondContact O-CB 3.36Å; T39-S43 PolarHBondContact O-N 2.87Å; T39-S43 PolarHBondContact O-OG 3.36Å; T39-L167 HydrophobicContact CG2-CD1 3.87Å; T39-L167 WeakPolarHBondContact CG2-O 3.38Å; T39-W168 HydrophobicContact CG2-CE3 3.8Å; T39-W168 HydrophobicContact CG2-CZ3 4.03Å
40S93.4Very high95.1Very high53 Ų5338.8 Ų38.837%0.37120%0.196SC..Hα-helixtrans-59.5-38.9173.2-171.80000112.1S36 L38 S43S36-S40 VanDerWaalsContact O-CB 3.23Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 2.95Å; S36-S40 VanDerWaalsContact O-N 3.11Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.54Å; S40-S43 PolarHBondContact O-OG 3.49Å
41T92.8Very high94.9Very high36 Ų3641.8 Ų41.822%0.22121%0.208CC..Hα-helixtrans-72-58.1-179.3-53.40000111.1L37 L38 T39 S43 Q44 M81 W83L37-T41 PolarHBondContact O-N 3.36Å; L37-T41 VanDerWaalsContact O-N 3.08Å; L37-T41 PolarHBondContact O-OG1 3.47Å; L38-T41 WeakPolarHBondContact O-CB 3.44Å; L38-T41 PolarHBondContact O-N 3.36Å; T39-T41 VanDerWaalsContact C-N 3.27Å; T39-T41 PolarHBondContact O-N 3.38Å; T41-S43 PolarHBondContact O-N 2.85Å; T41-Q44 PolarHBondContact O-N 2.84Å; T41-M81 HydrophobicContact CG2-CE 3.81Å; T41-W83 HydrophobicContact CG2-CH2 3.42Å; T41-W83 VanDerWaalsContact CG2-CH2 3.42Å; T41-W83 HydrophobicContact CG2-CZ2 3.85Å; T41-W83 HydrophobicContact CG2-CZ3 4.4Å
42Y95Very high94.7Very high4 Ų443.1 Ų43.12%0.01622%0.216CC..Hα-helixtrans-71.2-16.2-175.173.8-114.9000112.6L38 T39 Q44 N45 W46 M81 W168 V215 V222L38-Y42 WeakPolarHBondContact O-CD1 3.38Å; L38-Y42 PolarHBondContact O-N 2.6Å; T39-Y42 HydrophobicContact CG2-CE1 3.8Å; T39-Y42 WeakPolarHBondContact CG2-OH 3.39Å; Y42-Q44 PolarHBondContact O-N 3.23Å; Y42-N45 WeakPolarHBondContact O-CB 3.35Å; Y42-N45 PolarHBondContact O-N 3.41Å; Y42-W46 HydrophobicContact CE2-CE3 4.15Å; Y42-W46 WeakPolarHBondContact O-CB 3.42Å; Y42-W46 PolarHBondContact O-N 2.81Å; Y42-M81 HydrophobicContact CD1-SD 4.26Å; Y42-W168 HydrophobicContact CE1-CE3 4.32Å; Y42-W168 HydrophobicContact CE1-CZ3 4.25Å; Y42-V215 HydrophobicContact CD1-CG2 3.99Å; Y42-V215 HydrophobicContact CD2-CG2 4.31Å; Y42-V215 HydrophobicContact CE1-CG2 4.33Å; Y42-V215 HydrophobicContact CG-CG2 4Å; Y42-V222 HydrophobicContact CD2-CG1 4.2Å; Y42-V222 HydrophobicContact CD2-CG2 4.48Å
43S95.1Very high94.6Very high52 Ų5242 Ų4236%0.36421%0.21SC..Hα-helixtrans-60-31.317567.90000113.3T39 S40 T41 W46 Q47T39-S43 WeakPolarHBondContact O-CB 3.36Å; T39-S43 PolarHBondContact O-N 2.87Å; T39-S43 PolarHBondContact O-OG 3.36Å; S40-S43 PolarHBondContact O-OG 3.49Å; T41-S43 PolarHBondContact O-N 2.85Å; S43-W46 PolarHBondContact O-N 3.43Å; S43-Q47 WeakPolarHBondContact O-CB 3.22Å; S43-Q47 PolarHBondContact O-N 3.46Å
44Q93.4Very high94.3Very high133 Ų13345.7 Ų45.762%0.62122%0.224SC*.Hα-helixtrans-66.6-47.9174.5-63.7-179.43.700110.4T41 Y42 W46 Q47 Q48T41-Q44 PolarHBondContact O-N 2.84Å; Y42-Q44 PolarHBondContact O-N 3.23Å; Q44-W46 VanDerWaalsContact C-N 3.29Å; Q44-W46 PolarHBondContact O-N 3.3Å; Q44-Q47 PolarHBondContact O-N 2.85Å; Q44-Q48 WeakPolarHBondContact O-CB 3.43Å; Q44-Q48 PolarHBondContact O-N 3.47Å
45N94.5Very high93.9Very high69 Ų6951.2 Ų51.237%0.36925%0.25SS..Hα-helixtrans-60.2-38.8174.3-72.12.5000112.1Y42 Q48 T49 G220 V222Y42-N45 WeakPolarHBondContact O-CB 3.35Å; Y42-N45 PolarHBondContact O-N 3.41Å; N45-Q48 PolarHBondContact O-N 3.29Å; N45-T49 WeakPolarHBondContact O-CB 3.26Å; N45-T49 PolarHBondContact O-N 2.88Å; N45-T49 PolarHBondContact O-OG1 2.88Å; N45-G220 WeakPolarHBondContact CB-O 3.21Å; N45-V222 HydrophobicContact CB-CG2 3.98Å
46W96.3Very high93.6Very high28 Ų2853.7 Ų53.711%0.10627%0.27CS..Hα-helixtrans-67.4-43.1178.3-168.410.2000112.4Y42 S43 Q44 Q48 T49 W50 V170 D211 V222 T224Y42-W46 HydrophobicContact CE2-CE3 4.15Å; Y42-W46 WeakPolarHBondContact O-CB 3.42Å; Y42-W46 PolarHBondContact O-N 2.81Å; S43-W46 PolarHBondContact O-N 3.43Å; Q44-W46 VanDerWaalsContact C-N 3.29Å; Q44-W46 PolarHBondContact O-N 3.3Å; W46-Q48 VanDerWaalsContact C-N 3.31Å; W46-Q48 PolarHBondContact O-N 2.96Å; W46-T49 PolarHBondContact O-N 2.96Å; W46-W50 PolarHBondContact O-N 3.3Å; W46-W50 VanDerWaalsContact O-N 3.11Å; W46-V170 HydrophobicContact CZ3-CG2 4.23Å; W46-D211 HydrophobicContact CH2-CB 3.64Å; W46-D211 WeakPolarHBondContact CH2-O 3.3Å; W46-D211 HydrophobicContact CZ2-CB 3.82Å; W46-V222 HydrophobicContact CB-CB 3.75Å; W46-V222 HydrophobicContact CB-CG1 3.81Å; W46-V222 HydrophobicContact CB-CG2 4.34Å; W46-V222 HydrophobicContact CD2-CG1 4.07Å; W46-V222 HydrophobicContact CG-CB 3.99Å; W46-V222 HydrophobicContact CG-CG1 3.68Å; W46-T224 HydrophobicContact CZ2-CG2 3.98Å; W46-T224 PolarHBondContact NE1-OG1 2.88Å
47Q94.9Very high93.5Very high142 Ų14256.8 Ų56.866%0.66428%0.284SS*.Hα-helixtrans-60.4-43.9172.6-176.6-178.622.500111.2S43 Q44 K51S43-Q47 WeakPolarHBondContact O-CB 3.22Å; S43-Q47 PolarHBondContact O-N 3.46Å; Q44-Q47 PolarHBondContact O-N 2.85Å; Q47-K51 WeakPolarHBondContact O-CB 3.44Å; Q47-K51 PolarHBondContact O-N 2.95Å
48Q94.5Very high93.3Very high86 Ų8657.8 Ų57.840%0.40229%0.288SS..Hα-helixtrans-65.6-47179.2-169.658.347.300111.2Q44 N45 W46 W50 K51 D52Q44-Q48 WeakPolarHBondContact O-CB 3.43Å; Q44-Q48 PolarHBondContact O-N 3.47Å; N45-Q48 PolarHBondContact O-N 3.29Å; W46-Q48 VanDerWaalsContact C-N 3.31Å; W46-Q48 PolarHBondContact O-N 2.96Å; Q48-W50 VanDerWaalsContact C-N 3.33Å; Q48-W50 PolarHBondContact O-N 3.33Å; Q48-K51 CarbonylContact O-C 3.55Å; Q48-K51 WeakPolarHBondContact O-CA 3.1Å; Q48-K51 WeakPolarHBondContact O-CB 3.47Å; Q48-K51 PolarHBondContact O-N 3.23Å; Q48-D52 PolarHBondContact NE2-OD1 3.3Å; Q48-D52 PolarHBondContact O-N 3.39Å
49T95.2Very high93.3Very high4 Ų459.2 Ų59.23%0.02529%0.294CS..Hα-helixtrans-52.8-49.3176.1-58.60000111.4N45 W46 K51 D52 Y53 I221 V222N45-T49 WeakPolarHBondContact O-CB 3.26Å; N45-T49 PolarHBondContact O-N 2.88Å; N45-T49 PolarHBondContact O-OG1 2.88Å; W46-T49 PolarHBondContact O-N 2.96Å; T49-K51 VanDerWaalsContact C-N 3.33Å; T49-K51 PolarHBondContact O-N 3.44Å; T49-D52 PolarHBondContact O-N 2.89Å; T49-Y53 HydrophobicContact CG2-CD1 4.4Å; T49-Y53 HydrophobicContact CG2-CD2 4.27Å; T49-Y53 HydrophobicContact CG2-CE1 3.78Å; T49-Y53 HydrophobicContact CG2-CE2 3.64Å; T49-Y53 WeakPolarHBondContact CG2-OH 3.49Å; T49-Y53 WeakPolarHBondContact O-CD1 3.36Å; T49-Y53 PolarHBondContact O-N 2.91Å; T49-I221 HydrophobicContact CG2-CD1 4.43Å; T49-I221 HydrophobicContact CG2-CG2 3.97Å; T49-V222 WeakPolarHBondContact CG2-O 3.17Å; T49-V222 PolarHBondContact OG1-N 2.9Å; T49-V222 VanDerWaalsContact OG1-N 3.15Å
50W91.6Very high93.4Very high103 Ų10358 Ų5839%0.3929%0.287SS..Hα-helixtrans-65-37.1178.4176.176.3000112.9W46 Q48 R54 Y287W46-W50 PolarHBondContact O-N 3.3Å; W46-W50 VanDerWaalsContact O-N 3.11Å; Q48-W50 VanDerWaalsContact C-N 3.33Å; Q48-W50 PolarHBondContact O-N 3.33Å; W50-R54 WeakPolarHBondContact O-CB 3.29Å; W50-R54 PolarHBondContact O-N 2.93Å; W50-Y287 AromaticContact NE1-CE2 3.93Å
51K92.1Very high93.7Very high77 Ų7755.6 Ų55.634%0.33527%0.27SS..Hα-helixtrans-64.2-47.1175.8-177.5-175.6171.6-166.20110.3Q47 Q48 T49 R54 E55Q47-K51 WeakPolarHBondContact O-CB 3.44Å; Q47-K51 PolarHBondContact O-N 2.95Å; Q48-K51 CarbonylContact O-C 3.55Å; Q48-K51 WeakPolarHBondContact O-CA 3.1Å; Q48-K51 WeakPolarHBondContact O-CB 3.47Å; Q48-K51 PolarHBondContact O-N 3.23Å; T49-K51 VanDerWaalsContact C-N 3.33Å; T49-K51 PolarHBondContact O-N 3.44Å; K51-R54 PolarHBondContact O-N 2.9Å; K51-E55 WeakPolarHBondContact CE-OE1 3.39Å; K51-E55 VanDerWaalsContact CE-OE2 3.25Å; K51-E55 WeakPolarHBondContact CE-OE2 3.47Å; K51-E55 HydrophobicContact CG-CG 4.22Å; K51-E55 VanDerWaalsContact CG-OE1 3.3Å; K51-E55 WeakPolarHBondContact CG-OE1 3.43Å; K51-E55 IonicContact NZ-OE1 3.05Å; K51-E55 WeakPolarHBondContact O-CB 3.39Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.49Å
52D92.4Very high93.9Very high37 Ų3755 Ų5520%0.19826%0.264CS..Hα-helixtrans-61.2-48.1179.8-63.4-24000111Q48 T49 R54 E55 A56 V795Q48-D52 PolarHBondContact NE2-OD1 3.3Å; Q48-D52 PolarHBondContact O-N 3.39Å; T49-D52 PolarHBondContact O-N 2.89Å; D52-R54 PolarHBondContact O-N 3.36Å; D52-E55 PolarHBondContact O-N 3.48Å; D52-A56 VanDerWaalsContact O-CB 3.28Å; D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 2.98Å; D52-V795 HydrophobicContact CB-CG1 4.39Å
53Y92.9Very high94.1Very high4 Ų454.9 Ų54.92%0.01626%0.264CS..Hα-helixtrans-57.9-37.2177.2-66.8-6.4000112.3T49 E57 Q58 L131 P132 I221 N223 V795T49-Y53 HydrophobicContact CG2-CD1 4.4Å; T49-Y53 HydrophobicContact CG2-CD2 4.27Å; T49-Y53 HydrophobicContact CG2-CE1 3.78Å; T49-Y53 HydrophobicContact CG2-CE2 3.64Å; T49-Y53 WeakPolarHBondContact CG2-OH 3.49Å; T49-Y53 WeakPolarHBondContact O-CD1 3.36Å; T49-Y53 PolarHBondContact O-N 2.91Å; Y53-E57 PolarHBondContact O-N 3.28Å; Y53-Q58 PolarHBondContact O-N 3.14Å; Y53-L131 PolarHBondContact OH-O 3.39Å; Y53-P132 HydrophobicContact CD1-CB 4.1Å; Y53-P132 HydrophobicContact CD2-CB 3.93Å; Y53-P132 HydrophobicContact CE1-CB 3.91Å; Y53-P132 HydrophobicContact CE2-CB 3.74Å; Y53-P132 HydrophobicContact CG-CB 4.12Å; Y53-I221 WeakPolarHBondContact OH-CG2 3.43Å; Y53-N223 WeakPolarHBondContact CE2-OD1 3.36Å; Y53-N223 PolarHBondContact OH-OD1 3.43Å; Y53-V795 HydrophobicContact CD1-CG2 3.34Å; Y53-V795 HydrophobicContact CE1-CG2 3.23Å
54R90.1Very high94.3Very high78 Ų7852.4 Ų52.429%0.29425%0.246SC..Hα-helixtrans-77-42.4179-175.8-176.759.7176.5-3112.4W50 K51 D52 E57 Y287 L291W50-R54 WeakPolarHBondContact O-CB 3.29Å; W50-R54 PolarHBondContact O-N 2.93Å; K51-R54 PolarHBondContact O-N 2.9Å; D52-R54 PolarHBondContact O-N 3.36Å; R54-E57 PolarHBondContact O-N 2.72Å; R54-Y287 HydrophobicContact CB-CE2 4.39Å; R54-Y287 HydrophobicContact CG-CE2 4.45Å; R54-L291 HydrophobicContact CG-CD2 3.87Å
55E90Very high94.5Very high117 Ų11746.1 Ų46.155%0.54722%0.217SC..Hα-helixtrans-73.3-35.5-177.1-74.1179.3-17900112.3K51 D52 E57K51-E55 WeakPolarHBondContact CE-OE1 3.39Å; K51-E55 VanDerWaalsContact CE-OE2 3.25Å; K51-E55 WeakPolarHBondContact CE-OE2 3.47Å; K51-E55 HydrophobicContact CG-CG 4.22Å; K51-E55 VanDerWaalsContact CG-OE1 3.3Å; K51-E55 WeakPolarHBondContact CG-OE1 3.43Å; K51-E55 IonicContact NZ-OE1 3.05Å; K51-E55 WeakPolarHBondContact O-CB 3.39Å; K51-E55 WeakPolarHBondContact O-CG 3.36Å; K51-E55 PolarHBondContact O-N 3.49Å; D52-E55 PolarHBondContact O-N 3.48Å; E55-E57 PolarHBondContact O-N 2.67Å
56A90.3Very high94.7Very high51 Ų5142.9 Ų42.942%0.42120%0.199SC..THydrogen-bonded Turntrans-83.14.7172.200000113.1D52 Q58D52-A56 VanDerWaalsContact O-CB 3.28Å; D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 2.98Å; A56-Q58 HydrophobicContact CB-CG 3.79Å; A56-Q58 PolarHBondContact O-N 3.2Å; A56-Q58 VanDerWaalsContact O-N 3.11Å
57E91.9Very high94.7Very high76 Ų7641.8 Ų41.836%0.35520%0.196SC..THydrogen-bonded Turntrans46.440.1-178.1-48.2-174.715700113.3Y53 R54 E55 K293 Y301Y53-E57 PolarHBondContact O-N 3.28Å; R54-E57 PolarHBondContact O-N 2.72Å; E55-E57 PolarHBondContact O-N 2.67Å; E57-K293 VanDerWaalsContact CD-NZ 3.27Å; E57-K293 WeakPolarHBondContact OE1-CE 3.38Å; E57-K293 IonicContact OE1-NZ 3.71Å; E57-K293 PolarHBondContact OE1-NZ 3.19Å; E57-K293 WeakPolarHBondContact OE2-CE 3.29Å; E57-K293 IonicContact OE2-NZ 3.93Å; E57-K293 PolarHBondContact OE2-NZ 3.02Å; E57-Y301 HydrophobicContact CB-CD1 4.3Å; E57-Y301 HydrophobicContact CB-CE1 3.7Å; E57-Y301 VanDerWaalsContact O-CD1 3.3Å; E57-Y301 WeakPolarHBondContact O-CD1 3.4Å; E57-Y301 WeakPolarHBondContact O-CE1 3.19Å; E57-Y301 PolarHBondContact OE2-OH 3.25Å
58Q91.3Very high94.9Very high34 Ų3435.2 Ų35.216%0.15917%0.165CC..  trans-68137.4-173-72.1-71.5-25.100111.4Y53 A56 Q60 V795Y53-Q58 PolarHBondContact O-N 3.14Å; A56-Q58 HydrophobicContact CB-CG 3.79Å; A56-Q58 PolarHBondContact O-N 3.2Å; A56-Q58 VanDerWaalsContact O-N 3.11Å; Q58-Q60 WeakPolarHBondContact O-CG 3.47Å; Q58-Q60 PolarHBondContact O-N 3.42Å; Q58-V795 HydrophobicContact CG-CG2 4.34Å
59K96.8Very high95Very high29 Ų2932.4 Ų32.413%0.12615%0.153CC..  trans-63.2127.6170.8-172.8169.9177.8175.80109.3P132 N299 Q300 Y301 W790 I792K59-P132 WeakPolarHBondContact O-CG 3.4Å; K59-N299 WeakPolarHBondContact CE-O 3.4Å; K59-N299 PolarHBondContact NZ-O 3.43Å; K59-Q300 WeakPolarHBondContact CB-O 3.34Å; K59-Q300 WeakPolarHBondContact CD-O 3.31Å; K59-Q300 WeakPolarHBondContact CG-O 3.27Å; K59-Y301 CarbonylContact C-O 3.57Å; K59-Y301 WeakPolarHBondContact CA-O 3.43Å; K59-W790 WeakPolarHBondContact CE-O 3.46Å; K59-W790 PolarHBondContact NZ-O 3.46Å; K59-I792 HydrophobicContact CB-CG2 4.25Å; K59-I792 HydrophobicContact CG-CG2 4.06Å; K59-I792 VanDerWaalsContact O-CG2 3.31Å; K59-I792 WeakPolarHBondContact O-CG2 2.77Å
60Q97.5Very high95.1Very high4 Ų432.4 Ų32.42%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-113.3139.2-179.3-52.2-16529.100112.2Q58 Y62 P132 N134 Y287 Y301 I302 A303Q58-Q60 WeakPolarHBondContact O-CG 3.47Å; Q58-Q60 PolarHBondContact O-N 3.42Å; Q60-Y62 HydrophobicContact CB-CE2 3.95Å; Q60-Y62 PolarHBondContact OE1-OH 3.36Å; Q60-P132 CarbonylContact C-O 3.53Å; Q60-P132 WeakPolarHBondContact CA-O 3.46Å; Q60-P132 WeakPolarHBondContact CB-O 3.46Å; Q60-P132 HydrophobicContact CG-CB 4.21Å; Q60-N134 PolarHBondContact OE1-ND2 3.27Å; Q60-Y287 PolarHBondContact NE2-OH 2.83Å; Q60-Y301 PolarHBondContact N-O 2.84Å; Q60-I302 WeakPolarHBondContact O-CA 3.37Å; Q60-A303 PolarHBondContact O-N 3.36Å
61A98.4Very high95.3Very high3 Ų327.5 Ų27.53%0.02513%0.134CC..EExtended strand (participates in β ladder)trans-95.6140.3170.900000111.4P132 G133 N134 A303 W790 I792A61-P132 PolarHBondContact N-O 3.45Å; A61-G133 CarbonylContact O-C 3.33Å; A61-G133 WeakPolarHBondContact O-CA 3.26Å; A61-N134 PolarHBondContact O-N 2.94Å; A61-A303 CarbonylContact C-O 3.18Å; A61-A303 WeakPolarHBondContact CA-O 3.47Å; A61-A303 HydrophobicContact CB-CB 4.42Å; A61-W790 HydrophobicContact CB-CB 4.12Å; A61-W790 HydrophobicContact CB-CD2 3.98Å; A61-W790 HydrophobicContact CB-CE3 4.16Å; A61-W790 HydrophobicContact CB-CG 3.97Å; A61-I792 HydrophobicContact CB-CD1 3.86Å; A61-I792 HydrophobicContact CB-CG2 4.36Å
62Y98.7Very high95.5Very high23 Ų2325 Ų259%0.0912%0.123CC..EExtended strand (participates in β ladder)trans-120.8110.2174.7-62.8-87.1000109.6Q60 F64 N134 I284 Y287 I302 A303 H305Q60-Y62 HydrophobicContact CB-CE2 3.95Å; Q60-Y62 PolarHBondContact OE1-OH 3.36Å; Y62-F64 PolarHBondContact O-N 3.23Å; Y62-N134 CarbonylContact C-O 3.38Å; Y62-N134 WeakPolarHBondContact CA-O 3.45Å; Y62-N134 HydrophobicContact CD1-CB 3.85Å; Y62-N134 HydrophobicContact CE1-CB 4.01Å; Y62-I284 HydrophobicContact CD1-CD1 3.89Å; Y62-I284 HydrophobicContact CD1-CG1 3.82Å; Y62-I284 HydrophobicContact CD2-CD1 3.71Å; Y62-I284 HydrophobicContact CD2-CG1 3.9Å; Y62-I284 HydrophobicContact CD2-CG2 4.29Å; Y62-I284 HydrophobicContact CE1-CD1 4.48Å; Y62-I284 HydrophobicContact CE1-CG1 3.93Å; Y62-I284 HydrophobicContact CE2-CD1 4.31Å; Y62-I284 HydrophobicContact CE2-CG1 3.99Å; Y62-I284 HydrophobicContact CE2-CG2 4.05Å; Y62-I284 HydrophobicContact CG-CD1 3.46Å; Y62-I284 VanDerWaalsContact CG-CD1 3.46Å; Y62-I284 HydrophobicContact CG-CG1 3.81Å; Y62-Y287 WeakPolarHBondContact OH-CD1 3.46Å; Y62-I302 HydrophobicContact CD2-CG2 4.05Å; Y62-I302 HydrophobicContact CE2-CD1 3.76Å; Y62-I302 HydrophobicContact CE2-CG2 4.08Å; Y62-A303 PolarHBondContact N-O 2.97Å; Y62-H305 PolarHBondContact O-N 3.27Å
63Y98.7Very high95.8Very high3 Ų323.5 Ų23.51%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-90.6102.5-178.5-164.9-90.3000110F68 A119 F122 N134 N136 H305 N307 W790Y63-F68 HydrophobicContact CD1-CZ 4.46Å; Y63-A119 HydrophobicContact CD1-CB 4.27Å; Y63-A119 HydrophobicContact CE1-CB 3.67Å; Y63-F122 HydrophobicContact CD2-CD2 4.49Å; Y63-F122 AromaticContact CE2-CD2 3.78Å; Y63-F122 HydrophobicContact CE2-CD2 3.78Å; Y63-F122 HydrophobicContact CE2-CE2 4.2Å; Y63-F122 AromaticContact CZ-CD2 3.97Å; Y63-N134 PolarHBondContact N-O 2.94Å; Y63-N136 PolarHBondContact O-N 3.06Å; Y63-H305 HydrophobicContact CD2-CB 4.13Å; Y63-H305 AromaticContact CD2-CD2 3.49Å; Y63-H305 VanDerWaalsContact CD2-CD2 3.49Å; Y63-H305 WeakPolarHBondContact CD2-CD2 3.4Å; Y63-H305 AromaticContact CE2-CD2 3.27Å; Y63-H305 WeakPolarHBondContact CE2-CD2 3.34Å; Y63-H305 AromaticContact CE2-NE2 3.91Å; Y63-N307 HydrophobicContact CE1-CB 3.87Å; Y63-N307 PolarHBondContact OH-ND2 3.39Å; Y63-N307 PolarHBondContact OH-OD1 2.91Å; Y63-W790 HydrophobicContact CD2-CH2 4.36Å; Y63-W790 AromaticContact CD2-CZ2 3.99Å; Y63-W790 HydrophobicContact CD2-CZ2 3.99Å; Y63-W790 HydrophobicContact CE2-CZ2 4.34Å
64F98.8Very high96Very high0 Ų023.3 Ų23.30%011%0.114CC..EExtended strand (participates in β ladder)trans-86.1117.5179.3-79.2-112.3000109.6Y62 N136 F276 V281 I284 I304 H305 N307 P311Y62-F64 PolarHBondContact O-N 3.23Å; F64-N136 WeakPolarHBondContact CA-O 3.33Å; F64-N136 HydrophobicContact CD1-CB 4.04Å; F64-N136 HydrophobicContact CD2-CB 4.1Å; F64-N136 HydrophobicContact CE1-CB 4.1Å; F64-N136 HydrophobicContact CE2-CB 4.16Å; F64-N136 HydrophobicContact CG-CB 4.05Å; F64-N136 HydrophobicContact CZ-CB 4.16Å; F64-F276 HydrophobicContact CB-CE2 4.25Å; F64-F276 HydrophobicContact CD1-CD2 4.17Å; F64-F276 AromaticContact CD1-CE2 3.79Å; F64-F276 HydrophobicContact CD1-CE2 3.79Å; F64-F276 HydrophobicContact CG-CE2 4.5Å; F64-V281 HydrophobicContact CE1-CG2 4.43Å; F64-V281 HydrophobicContact CZ-CG2 4.22Å; F64-I284 HydrophobicContact CE2-CD1 3.59Å; F64-I284 HydrophobicContact CZ-CD1 3.68Å; F64-I304 HydrophobicContact CD2-CG2 3.72Å; F64-I304 HydrophobicContact CE2-CG1 4.33Å; F64-I304 HydrophobicContact CE2-CG2 3.73Å; F64-H305 PolarHBondContact N-O 2.91Å; F64-N307 WeakPolarHBondContact O-CB 3.22Å; F64-N307 PolarHBondContact O-N 3.14Å; F64-P311 HydrophobicContact CB-CB 3.7Å; F64-P311 HydrophobicContact CB-CG 3.91Å; F64-P311 HydrophobicContact CD1-CB 4.47Å; F64-P311 HydrophobicContact CG-CB 4.46Å; F64-P311 WeakPolarHBondContact O-CG 3.4Å
65S98.4Very high96.4Very high0 Ų021.7 Ų21.70%011%0.109CC..  trans-139.8134178.1-172.80000109.9E67 F68 N136 G137 N307S65-E67 WeakPolarHBondContact CB-O 3.18Å; S65-E67 PolarHBondContact O-N 3.49Å; S65-E67 PolarHBondContact OG-N 3.45Å; S65-E67 PolarHBondContact OG-O 2.96Å; S65-F68 WeakPolarHBondContact O-CE2 3.38Å; S65-N136 PolarHBondContact N-O 2.95Å; S65-G137 WeakPolarHBondContact O-CA 3.27Å; S65-N307 PolarHBondContact OG-ND2 2.88Å; S65-N307 VanDerWaalsContact OG-ND2 3.14Å
66I97.1Very high96.7Very high1 Ų116.3 Ų16.31%0.0059%0.085CC..SBendtrans-68.1-20.9175.9-163.3157.5000112.1Y140 L256 Y257 E273 H310I66-Y140 WeakPolarHBondContact CG1-OH 3.45Å; I66-Y140 VanDerWaalsContact O-CE2 3.24Å; I66-Y140 WeakPolarHBondContact O-CE2 3.32Å; I66-Y140 PolarHBondContact O-OH 2.59Å; I66-L256 HydrophobicContact CG1-CD1 4.28Å; I66-Y257 HydrophobicContact CD1-CE1 4.29Å; I66-Y257 HydrophobicContact CG2-CE1 3.72Å; I66-Y257 WeakPolarHBondContact CG2-OH 3.48Å; I66-E273 HydrophobicContact CD1-CG 3.93Å; I66-H310 HydrophobicContact CB-CB 3.92Å; I66-H310 HydrophobicContact CD1-CB 3.94Å; I66-H310 HydrophobicContact CG2-CB 4.12Å
67E97.1Very high97.1Very high6 Ų613.9 Ų13.93%0.0287%0.065CC..  trans-131.4145.6175.350.9170-148.800113.4S65 L110 N112 G113 L115 G116 L256S65-E67 WeakPolarHBondContact CB-O 3.18Å; S65-E67 PolarHBondContact O-N 3.49Å; S65-E67 PolarHBondContact OG-N 3.45Å; S65-E67 PolarHBondContact OG-O 2.96Å; E67-L110 WeakPolarHBondContact CA-O 3.21Å; E67-N112 VanDerWaalsContact OE2-CB 3.32Å; E67-N112 WeakPolarHBondContact OE2-CB 3.34Å; E67-N112 PolarHBondContact OE2-N 3.22Å; E67-G113 PolarHBondContact OE1-N 3.01Å; E67-G113 PolarHBondContact OE2-N 3.48Å; E67-L115 HydrophobicContact CG-CB 4.39Å; E67-L115 HydrophobicContact CG-CD2 4.1Å; E67-L115 HydrophobicContact CG-CG 4.31Å; E67-L115 VanDerWaalsContact OE1-CB 3.26Å; E67-L115 WeakPolarHBondContact OE1-CB 3.22Å; E67-G116 VanDerWaalsContact CD-N 3.33Å; E67-G116 WeakPolarHBondContact O-CA 3.36Å; E67-G116 PolarHBondContact OE1-N 2.75Å; E67-L256 HydrophobicContact CB-CD1 4.27Å; E67-L256 HydrophobicContact CB-CD2 4.15Å
68F98.3Very high97.4Very high3 Ų310.3 Ų10.31%0.0135%0.048CC..  trans-133.4128.8166.1-71.6-90.6000107.9Y63 S65 P70 L110 G111 A119 M123 M225 L227Y63-F68 HydrophobicContact CD1-CZ 4.46Å; S65-F68 WeakPolarHBondContact O-CE2 3.38Å; F68-P70 WeakPolarHBondContact O-CD 3.41Å; F68-L110 PolarHBondContact N-O 3.44Å; F68-L110 CarbonylContact O-C 3.53Å; F68-L110 WeakPolarHBondContact O-CA 3.46Å; F68-L110 WeakPolarHBondContact O-CB 3.28Å; F68-G111 PolarHBondContact O-N 2.92Å; F68-A119 HydrophobicContact CD1-CB 3.68Å; F68-A119 HydrophobicContact CE1-CB 3.72Å; F68-A119 HydrophobicContact CG-CB 4.43Å; F68-A119 HydrophobicContact CZ-CB 4.49Å; F68-M123 HydrophobicContact CD1-CG 4.21Å; F68-M123 HydrophobicContact CE1-CG 3.8Å; F68-M123 HydrophobicContact CE1-SD 4.43Å; F68-M225 HydrophobicContact CB-SD 3.81Å; F68-M225 HydrophobicContact CD1-CG 4.42Å; F68-M225 HydrophobicContact CD1-SD 3.68Å; F68-M225 HydrophobicContact CD2-SD 4.25Å; F68-M225 HydrophobicContact CE1-SD 4.31Å; F68-M225 HydrophobicContact CG-CG 4.49Å; F68-M225 HydrophobicContact CG-SD 3.64Å; F68-L227 HydrophobicContact CD2-CD2 4.28Å
69L97.1Very high97.7Very high28 Ų289.3 Ų9.315%0.1474%0.044CC..  trans-115.267.4179.5-164.375.6000110.9G71 G111 G116 R117 S120 V614L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 2.92Å; L69-G111 WeakPolarHBondContact CD1-O 3.47Å; L69-G116 PolarHBondContact N-O 3.38Å; L69-R117 HydrophobicContact CB-CB 4.28Å; L69-R117 HydrophobicContact CD2-CB 4.18Å; L69-R117 VanDerWaalsContact O-CD 3.22Å; L69-R117 WeakPolarHBondContact O-CD 3.34Å; L69-R117 PolarHBondContact O-NE 3.31Å; L69-R117 PolarHBondContact O-NH1 3.17Å; L69-S120 PolarHBondContact N-OG 3.39Å; L69-V614 HydrophobicContact CD2-CG2 3.7Å; L69-V614 HydrophobicContact CG-CG2 3.62Å
70P96.7Very high97.7Very high3 Ų38 Ų82%0.0194%0.038CC..  trans-67.7-29.4-171.327.7-34.9000112.9F68 M73 M108 R117 S120 R454F68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-M73 HydrophobicContact CB-SD 4.05Å; P70-M108 HydrophobicContact CG-CB 3.91Å; P70-M108 HydrophobicContact CG-CG 4.16Å; P70-M108 HydrophobicContact CG-SD 3.65Å; P70-R117 VanDerWaalsContact C-NH1 3.28Å; P70-R117 PolarHBondContact O-NH1 3.04Å; P70-S120 WeakPolarHBondContact CA-OG 3.4Å; P70-S120 VanDerWaalsContact N-OG 3.1Å; P70-R454 PolarHBondContact O-NE 2.87Å; P70-R454 PolarHBondContact O-NH2 3.24Å
71G96.6Very high97.7Very high1 Ų19.4 Ų9.41%0.015%0.045CC..  trans75.1-158.7-168.900000111.1L69L69-G71 VanDerWaalsContact C-N 3.29Å; L69-G71 PolarHBondContact O-N 2.92Å
72K97.2Very high97.6Very high25 Ų2511.4 Ų11.411%0.1097%0.066CC..  trans-69.5139.5173.7-60.3-174.4-177.3-162.60111.3A102 E103 E105 R454 S615K72-A102 WeakPolarHBondContact CD-O 3.35Å; K72-A102 PolarHBondContact NZ-O 2.93Å; K72-E103 PolarHBondContact NZ-O 3.19Å; K72-E103 IonicContact NZ-OE1 3.86Å; K72-E103 IonicContact NZ-OE2 3.76Å; K72-E105 HydrophobicContact CB-CG 4.07Å; K72-E105 WeakPolarHBondContact CB-OE2 3.23Å; K72-E105 HydrophobicContact CD-CB 4.2Å; K72-E105 HydrophobicContact CD-CG 4.37Å; K72-E105 WeakPolarHBondContact CD-O 3.46Å; K72-E105 WeakPolarHBondContact CE-O 3.33Å; K72-E105 HydrophobicContact CG-CB 4.37Å; K72-E105 HydrophobicContact CG-CG 3.99Å; K72-E105 PolarHBondContact NZ-O 2.96Å; K72-R454 PolarHBondContact O-NH1 3.05Å; K72-R454 VanDerWaalsContact O-NH1 3.07Å; K72-R454 PolarHBondContact O-NH2 3.13Å; K72-S615 VanDerWaalsContact CD-OG 3.28Å; K72-S615 WeakPolarHBondContact CD-OG 3.42Å; K72-S615 WeakPolarHBondContact CE-OG 3.27Å; K72-S615 WeakPolarHBondContact CG-OG 3.27Å
73M97.4Very high97.5Very high4 Ų411.9 Ų11.92%0.027%0.067CC..  trans-101.9-21.3-174.4-64.9-68.5-7500113.2P70 K75 S76 N77 E105 M108 W168 T212 M214P70-M73 HydrophobicContact CB-SD 4.05Å; M73-K75 PolarHBondContact O-N 2.71Å; M73-S76 WeakPolarHBondContact O-CB 3.47Å; M73-S76 PolarHBondContact O-N 2.72Å; M73-N77 WeakPolarHBondContact O-CB 3.25Å; M73-N77 PolarHBondContact O-N 3.16Å; M73-E105 VanDerWaalsContact N-CD 3.32Å; M73-E105 PolarHBondContact N-OE1 3.33Å; M73-E105 PolarHBondContact N-OE2 2.52Å; M73-M108 HydrophobicContact CG-CE 3.64Å; M73-M108 HydrophobicContact CG-SD 4.38Å; M73-W168 HydrophobicContact CB-CD2 3.76Å; M73-W168 HydrophobicContact CB-CE3 4.45Å; M73-W168 HydrophobicContact CB-CG 3.93Å; M73-W168 HydrophobicContact CB-CZ2 4.06Å; M73-W168 HydrophobicContact CG-CG 4.25Å; M73-T212 HydrophobicContact CE-CG2 4.34Å; M73-M214 HydrophobicContact CE-CE 4.32Å; M73-M214 HydrophobicContact CE-SD 4.26Å
74L97.9Very high97.4Very high0 Ų013.4 Ų13.40%08%0.075CC..Hα-helixtrans-54.8-60.8-174.1178.262000113Y31 L34 L38 S76 N77 L78 L98 L101 A102 E105 W168Y31-L74 HydrophobicContact CD2-CD2 4.1Å; Y31-L74 HydrophobicContact CE2-CB 4.46Å; Y31-L74 HydrophobicContact CE2-CD2 4.29Å; L34-L74 HydrophobicContact CD2-CD1 3.79Å; L34-L74 HydrophobicContact CD2-CD2 4.16Å; L34-L74 HydrophobicContact CD2-CG 4.48Å; L34-L74 HydrophobicContact CG-CD1 3.94Å; L38-L74 HydrophobicContact CD2-CD1 4.22Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.43Å; L74-N77 PolarHBondContact O-N 3.49Å; L74-L78 HydrophobicContact CD1-CD1 4.18Å; L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.32Å; L74-L98 HydrophobicContact CD2-CD1 4.22Å; L74-L101 HydrophobicContact CD2-CB 4.39Å; L74-A102 HydrophobicContact CD2-CB 4.33Å; L74-E105 WeakPolarHBondContact CB-OE2 3.31Å; L74-E105 PolarHBondContact N-OE2 3.27Å; L74-W168 VanDerWaalsContact CA-CZ2 3.43Å; L74-W168 HydrophobicContact CB-CH2 4.31Å; L74-W168 HydrophobicContact CB-CZ2 3.85Å; L74-W168 HydrophobicContact CD1-CH2 4.01Å; L74-W168 HydrophobicContact CD1-CZ2 4.24Å
75K97.8Very high97.2Very high44 Ų4420.6 Ų20.619%0.19111%0.109CC..Hα-helixtrans-67.1-32-178.6-61-177.183.6176.20111.7M73 L79 L84 E99 A102 L458M73-K75 PolarHBondContact O-N 2.71Å; K75-L79 VanDerWaalsContact O-CB 3.3Å; K75-L79 WeakPolarHBondContact O-CB 3.45Å; K75-L79 PolarHBondContact O-N 2.82Å; K75-L84 HydrophobicContact CB-CD1 4.48Å; K75-E99 IonicContact NZ-OE1 2.73Å; K75-E99 PolarHBondContact NZ-OE1 2.65Å; K75-E99 IonicContact NZ-OE2 3.84Å; K75-E99 PolarHBondContact NZ-OE2 2.77Å; K75-A102 HydrophobicContact CD-CB 3.87Å; K75-A102 HydrophobicContact CG-CB 4.02Å; K75-L458 HydrophobicContact CB-CD1 4.48Å; K75-L458 HydrophobicContact CB-CD2 4Å
76S97.7Very high97.1Very high4 Ų422.3 Ų22.33%0.02812%0.117CC..Hα-helixtrans-62.5-48.2175.3-157.40000111.8M73 L74 L79 N80 R454M73-S76 WeakPolarHBondContact O-CB 3.47Å; M73-S76 PolarHBondContact O-N 2.72Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 2.78Å; S76-N80 WeakPolarHBondContact O-CB 3.29Å; S76-N80 PolarHBondContact O-N 3.16Å; S76-N80 PolarHBondContact O-OD1 3.22Å; S76-R454 VanDerWaalsContact CB-NH2 3.25Å; S76-R454 PolarHBondContact OG-NH2 3.09Å
77N98.1Very high97.1Very high1 Ų122.2 Ų22.21%0.00512%0.117CC..Hα-helixtrans-69.2-40.8179.2-70.8-14.6000110.8L38 M73 L74 L79 N80 M81 W168L38-N77 HydrophobicContact CD2-CB 4.06Å; M73-N77 WeakPolarHBondContact O-CB 3.25Å; M73-N77 PolarHBondContact O-N 3.16Å; L74-N77 PolarHBondContact O-N 3.49Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.61Å; N77-N80 PolarHBondContact O-N 3.06Å; N77-M81 VanDerWaalsContact O-CB 3.31Å; N77-M81 WeakPolarHBondContact O-CB 3.44Å; N77-M81 WeakPolarHBondContact O-CG 3.47Å; N77-M81 PolarHBondContact O-N 2.88Å; N77-W168 HydrophobicContact CB-CH2 4.48Å; N77-W168 HydrophobicContact CB-CZ3 4.27Å; N77-W168 WeakPolarHBondContact ND2-CZ3 3.46Å
78L97.8Very high97.1Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-58.2-44.9172.5-76.3174.1000112.4L38 L74 G82 W83 L84 V87 L98L38-L78 HydrophobicContact CD1-CD2 3.93Å; L38-L78 HydrophobicContact CD2-CD2 3.78Å; L38-L78 HydrophobicContact CD2-CG 3.84Å; L38-L78 HydrophobicContact CG-CD2 4.27Å; L74-L78 HydrophobicContact CD1-CD1 4.18Å; L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 WeakPolarHBondContact O-CG 3.47Å; L74-L78 PolarHBondContact O-N 3.32Å; L78-G82 PolarHBondContact O-N 3.49Å; L78-W83 HydrophobicContact CD2-CB 4.11Å; L78-W83 PolarHBondContact O-N 3.32Å; L78-L84 HydrophobicContact CB-CB 4.05Å; L78-L84 HydrophobicContact CB-CD1 3.83Å; L78-L84 HydrophobicContact CD1-CD1 3.99Å; L78-L84 PolarHBondContact O-N 3.42Å; L78-L84 VanDerWaalsContact O-N 3.12Å; L78-V87 HydrophobicContact CD1-CG1 4.2Å; L78-V87 HydrophobicContact CD2-CB 3.94Å; L78-V87 HydrophobicContact CD2-CG1 3.96Å; L78-V87 HydrophobicContact CD2-CG2 3.74Å; L78-L98 HydrophobicContact CD1-CD1 3.83Å; L78-L98 HydrophobicContact CD1-CD2 3.95Å
79L97.6Very high97.1Very high13 Ų1328.6 Ų28.67%0.06815%0.153CC..Hα-helixtrans-63.6-49.4176.8176.266.1000111K75 S76 N77 M81 G82 L84 Y217 R453 Q457 L458K75-L79 VanDerWaalsContact O-CB 3.3Å; K75-L79 WeakPolarHBondContact O-CB 3.45Å; K75-L79 PolarHBondContact O-N 2.82Å; S76-L79 PolarHBondContact O-N 2.78Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.61Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.42Å; L79-G82 PolarHBondContact O-N 3.26Å; L79-L84 HydrophobicContact CB-CD2 4.33Å; L79-L84 HydrophobicContact CD1-CD2 4.4Å; L79-Y217 HydrophobicContact CD1-CE2 4.01Å; L79-Y217 HydrophobicContact CG-CD2 4.31Å; L79-Y217 HydrophobicContact CG-CE2 3.91Å; L79-R453 HydrophobicContact CD2-CB 3.95Å; L79-R453 HydrophobicContact CD2-CG 4.36Å; L79-Q457 HydrophobicContact CD2-CB 3.87Å; L79-L458 HydrophobicContact CB-CD2 3.89Å; L79-L458 HydrophobicContact CD2-CD1 4.31Å; L79-L458 HydrophobicContact CD2-CD2 3.76Å; L79-L458 HydrophobicContact CD2-CG 3.69Å; L79-L458 HydrophobicContact CG-CD2 4.34Å
80N97.7Very high97.1Very high3 Ų327.3 Ų27.32%0.01615%0.146CC..Hα-helixtrans-67.9-28.5-176.3-68.4-2.1000112S76 N77 G82 D124 V215 Q218S76-N80 WeakPolarHBondContact O-CB 3.29Å; S76-N80 PolarHBondContact O-N 3.16Å; S76-N80 PolarHBondContact O-OD1 3.22Å; N77-N80 PolarHBondContact O-N 3.06Å; N80-G82 VanDerWaalsContact C-N 3.27Å; N80-G82 PolarHBondContact O-N 3.45Å; N80-D124 PolarHBondContact ND2-OD2 3.41Å; N80-V215 HydrophobicContact CB-CB 4.24Å; N80-V215 HydrophobicContact CB-CG1 3.93Å; N80-V215 PolarHBondContact ND2-O 3.2Å; N80-Q218 WeakPolarHBondContact O-CA 3.34Å; N80-Q218 PolarHBondContact O-N 3.47Å
81M96.6Very high97.1Very high33 Ų3327.1 Ų27.116%0.16315%0.145CC..THydrogen-bonded Turntrans-78.1-8.9170.9-67175.974.100113.6L38 T41 Y42 N77 L79 W83 V215L38-M81 HydrophobicContact CB-SD 4.45Å; L38-M81 HydrophobicContact CD2-SD 4.42Å; L38-M81 HydrophobicContact CG-SD 4.04Å; T41-M81 HydrophobicContact CG2-CE 3.81Å; Y42-M81 HydrophobicContact CD1-SD 4.26Å; N77-M81 VanDerWaalsContact O-CB 3.31Å; N77-M81 WeakPolarHBondContact O-CB 3.44Å; N77-M81 WeakPolarHBondContact O-CG 3.47Å; N77-M81 PolarHBondContact O-N 2.88Å; L79-M81 VanDerWaalsContact C-N 3.28Å; L79-M81 PolarHBondContact O-N 3.42Å; M81-W83 VanDerWaalsContact C-N 3.31Å; M81-W83 HydrophobicContact CB-CB 4.31Å; M81-W83 HydrophobicContact CB-CD2 4.11Å; M81-W83 HydrophobicContact CB-CG 3.91Å; M81-W83 HydrophobicContact CE-CD2 3.91Å; M81-W83 HydrophobicContact CE-CE3 3.71Å; M81-W83 HydrophobicContact CE-CH2 3.49Å; M81-W83 VanDerWaalsContact CE-CH2 3.49Å; M81-W83 HydrophobicContact CE-CZ2 3.65Å; M81-W83 HydrophobicContact CE-CZ3 3.5Å; M81-W83 PolarHBondContact O-NE1 2.98Å; M81-W83 HydrophobicContact SD-CE3 4.37Å; M81-V215 HydrophobicContact CG-CG1 4.01Å
82G95.8Very high97.1Very high44 Ų4430.2 Ų30.245%0.45417%0.17SC..THydrogen-bonded Turntrans71.424.7-17300000113.4L78 L79 N80L78-G82 PolarHBondContact O-N 3.49Å; L79-G82 PolarHBondContact O-N 3.26Å; N80-G82 VanDerWaalsContact C-N 3.27Å; N80-G82 PolarHBondContact O-N 3.45Å
83W96.7Very high97.1Very high34 Ų3433.9 Ų33.913%0.12919%0.188CC..  trans-108.8-10.4-172.1-7111.2000113.8M1 L38 T41 L78 M81 E85 M86 V87M1-W83 HydrophobicContact CB-CH2 4.33Å; M1-W83 HydrophobicContact CB-CZ2 3.95Å; M1-W83 HydrophobicContact CE-CH2 3.34Å; M1-W83 HydrophobicContact CE-CZ2 4.03Å; M1-W83 HydrophobicContact CE-CZ3 3.98Å; M1-W83 HydrophobicContact SD-CH2 3.69Å; M1-W83 HydrophobicContact SD-CZ2 4.25Å; M1-W83 HydrophobicContact SD-CZ3 3.87Å; L38-W83 HydrophobicContact CD1-CE3 4.49Å; T41-W83 HydrophobicContact CG2-CH2 3.42Å; T41-W83 VanDerWaalsContact CG2-CH2 3.42Å; T41-W83 HydrophobicContact CG2-CZ2 3.85Å; T41-W83 HydrophobicContact CG2-CZ3 4.4Å; L78-W83 HydrophobicContact CD2-CB 4.11Å; L78-W83 PolarHBondContact O-N 3.32Å; M81-W83 VanDerWaalsContact C-N 3.31Å; M81-W83 HydrophobicContact CB-CB 4.31Å; M81-W83 HydrophobicContact CB-CD2 4.11Å; M81-W83 HydrophobicContact CB-CG 3.91Å; M81-W83 HydrophobicContact CE-CD2 3.91Å; M81-W83 HydrophobicContact CE-CE3 3.71Å; M81-W83 HydrophobicContact CE-CH2 3.49Å; M81-W83 VanDerWaalsContact CE-CH2 3.49Å; M81-W83 HydrophobicContact CE-CZ2 3.65Å; M81-W83 HydrophobicContact CE-CZ3 3.5Å; M81-W83 PolarHBondContact O-NE1 2.98Å; M81-W83 HydrophobicContact SD-CE3 4.37Å; W83-E85 PolarHBondContact O-N 3.38Å; W83-M86 HydrophobicContact CB-CE 4.25Å; W83-M86 HydrophobicContact CD2-CE 4.32Å; W83-M86 HydrophobicContact CG-CE 4.12Å; W83-M86 PolarHBondContact O-N 3.04Å; W83-V87 HydrophobicContact CB-CG2 4.07Å; W83-V87 VanDerWaalsContact O-CB 3.32Å; W83-V87 WeakPolarHBondContact O-CB 3.34Å; W83-V87 VanDerWaalsContact O-CG2 3.31Å; W83-V87 WeakPolarHBondContact O-CG2 3.32Å; W83-V87 PolarHBondContact O-N 3.37Å
84L96.6Very high96.9Very high34 Ų3435.8 Ų35.818%0.17820%0.198CC..Hα-helixtrans-52.1-54-170.2-176.962.6000113.9K75 L78 L79 A88 L98 L458K75-L84 HydrophobicContact CB-CD1 4.48Å; L78-L84 HydrophobicContact CB-CB 4.05Å; L78-L84 HydrophobicContact CB-CD1 3.83Å; L78-L84 HydrophobicContact CD1-CD1 3.99Å; L78-L84 PolarHBondContact O-N 3.42Å; L78-L84 VanDerWaalsContact O-N 3.12Å; L79-L84 HydrophobicContact CB-CD2 4.33Å; L79-L84 HydrophobicContact CD1-CD2 4.4Å; L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.72Å; L84-L98 HydrophobicContact CD1-CD2 3.68Å; L84-L458 HydrophobicContact CD2-CD2 3.89Å
85E95.2Very high96.8Very high152 Ų15239.3 Ų39.371%0.7123%0.234SC*.Hα-helixtrans-67.2-47.2-178.9-66.7176-179.600111.7W83 V87 A88 E89W83-E85 PolarHBondContact O-N 3.38Å; E85-V87 VanDerWaalsContact C-N 3.29Å; E85-V87 PolarHBondContact O-N 3.3Å; E85-A88 PolarHBondContact O-N 2.86Å; E85-E89 PolarHBondContact O-N 2.92Å
86M96.7Very high96.7Very high35 Ų3537.9 Ų37.917%0.17223%0.229CC..Hα-helixtrans-56.8-43.6178.3179.9-82.3-68.400111.9K3 F6 W83 A90K3-M86 HydrophobicContact CB-CG 4.27Å; K3-M86 HydrophobicContact CB-SD 4.4Å; F6-M86 HydrophobicContact CB-CE 4.25Å; F6-M86 HydrophobicContact CB-SD 3.83Å; F6-M86 HydrophobicContact CG-SD 4.13Å; W83-M86 HydrophobicContact CB-CE 4.25Å; W83-M86 HydrophobicContact CD2-CE 4.32Å; W83-M86 HydrophobicContact CG-CE 4.12Å; W83-M86 PolarHBondContact O-N 3.04Å; M86-A90 VanDerWaalsContact O-CB 3.24Å; M86-A90 WeakPolarHBondContact O-CB 3.47Å; M86-A90 PolarHBondContact O-N 3.47Å
87V97.5Very high96.6Very high0 Ų041.9 Ų41.90%025%0.25CC..Hα-helixtrans-71.2-41.5179167.50000111.3F6 L34 L78 W83 E85 E89 A90 L91F6-V87 HydrophobicContact CD2-CG2 3.86Å; F6-V87 HydrophobicContact CE1-CG1 4.3Å; F6-V87 HydrophobicContact CE1-CG2 4.47Å; F6-V87 HydrophobicContact CE2-CB 4.42Å; F6-V87 HydrophobicContact CE2-CG1 4.12Å; F6-V87 HydrophobicContact CE2-CG2 3.58Å; F6-V87 HydrophobicContact CG-CG2 4.41Å; F6-V87 HydrophobicContact CZ-CB 4.27Å; F6-V87 HydrophobicContact CZ-CG1 3.69Å; F6-V87 HydrophobicContact CZ-CG2 3.92Å; L34-V87 HydrophobicContact CD1-CG1 4.05Å; L34-V87 HydrophobicContact CD2-CG1 4.41Å; L78-V87 HydrophobicContact CD1-CG1 4.2Å; L78-V87 HydrophobicContact CD2-CB 3.94Å; L78-V87 HydrophobicContact CD2-CG1 3.96Å; L78-V87 HydrophobicContact CD2-CG2 3.74Å; W83-V87 HydrophobicContact CB-CG2 4.07Å; W83-V87 VanDerWaalsContact O-CB 3.32Å; W83-V87 WeakPolarHBondContact O-CB 3.34Å; W83-V87 VanDerWaalsContact O-CG2 3.31Å; W83-V87 WeakPolarHBondContact O-CG2 3.32Å; W83-V87 PolarHBondContact O-N 3.37Å; E85-V87 VanDerWaalsContact C-N 3.29Å; E85-V87 PolarHBondContact O-N 3.3Å; V87-E89 PolarHBondContact O-N 3.07Å; V87-A90 PolarHBondContact O-N 3.45Å; V87-L91 HydrophobicContact CG1-CD1 3.69Å; V87-L91 HydrophobicContact CG1-CG 4.14Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 3.02Å
88A97Very high96.5Very high35 Ų3542.2 Ų42.229%0.28925%0.251SS..Hα-helixtrans-58.7-47.4176.400000111.4L84 E85 A90 A92 L98L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.72Å; E85-A88 PolarHBondContact O-N 2.86Å; A88-A90 PolarHBondContact O-N 3.41Å; A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 2.94Å; A88-L98 HydrophobicContact CB-CD2 3.99Å
89E97.1Very high96.4Very high108 Ų10846.3 Ų46.351%0.50527%0.271SS..Hα-helixtrans-62.2-43.3175-71.4-176.8-167.400112.6K3 E85 V87 A92 E93K3-E89 HydrophobicContact CD-CB 4.16Å; K3-E89 IonicContact NZ-OE2 3.46Å; K3-E89 PolarHBondContact NZ-OE2 2.81Å; E85-E89 PolarHBondContact O-N 2.92Å; V87-E89 PolarHBondContact O-N 3.07Å; E89-A92 PolarHBondContact O-N 3.11Å; E89-E93 PolarHBondContact O-N 3.21Å
90A97.4Very high96.2Very high0 Ų050.6 Ų50.60%029%0.294CS..Hα-helixtrans-65.8-39.4-177.500000112.7K3 F6 K7 M86 V87 A88 L94K3-A90 HydrophobicContact CD-CB 4.11Å; K3-A90 HydrophobicContact CG-CB 3.78Å; F6-A90 HydrophobicContact CD1-CB 3.37Å; F6-A90 HydrophobicContact CE1-CB 3.71Å; F6-A90 HydrophobicContact CG-CB 4.41Å; K7-A90 HydrophobicContact CD-CB 4.49Å; K7-A90 HydrophobicContact CG-CB 3.94Å; M86-A90 VanDerWaalsContact O-CB 3.24Å; M86-A90 WeakPolarHBondContact O-CB 3.47Å; M86-A90 PolarHBondContact O-N 3.47Å; V87-A90 PolarHBondContact O-N 3.45Å; A88-A90 PolarHBondContact O-N 3.41Å; A90-L94 PolarHBondContact O-N 2.78Å
91L97Very high96.1Very high0 Ų050.6 Ų50.60%029%0.294CS..Hα-helixtrans-68.6-40.1175-72.1174.7000111.2F6 F10 L34 V87 E93 L94 G95 I96 L98 L101F6-L91 HydrophobicContact CE1-CD2 4.19Å; F6-L91 HydrophobicContact CE1-CG 4.23Å; F6-L91 HydrophobicContact CZ-CD2 4.31Å; F6-L91 HydrophobicContact CZ-CG 4.38Å; F10-L91 HydrophobicContact CE1-CD2 4.22Å; F10-L91 HydrophobicContact CE2-CD2 4.24Å; F10-L91 HydrophobicContact CZ-CD2 4.05Å; L34-L91 HydrophobicContact CD2-CD1 4Å; V87-L91 HydrophobicContact CG1-CD1 3.69Å; V87-L91 HydrophobicContact CG1-CG 4.14Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 3.02Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 3.43Å; L91-L94 CarbonylContact O-C 3.56Å; L91-L94 WeakPolarHBondContact O-CA 3.48Å; L91-L94 WeakPolarHBondContact O-CB 3.44Å; L91-L94 PolarHBondContact O-N 3.26Å; L91-G95 PolarHBondContact O-N 2.87Å; L91-G95 VanDerWaalsContact O-N 3.15Å; L91-I96 CarbonylContact C-O 3.34Å; L91-I96 HydrophobicContact CB-CB 4.09Å; L91-I96 HydrophobicContact CB-CG2 4.4Å; L91-I96 WeakPolarHBondContact CB-O 3.49Å; L91-I96 HydrophobicContact CD2-CB 4.32Å; L91-I96 HydrophobicContact CD2-CD1 3.88Å; L91-I96 HydrophobicContact CD2-CG2 4.33Å; L91-I96 PolarHBondContact O-N 3.37Å; L91-L98 HydrophobicContact CD1-CB 4.24Å; L91-L98 HydrophobicContact CD1-CD1 3.92Å; L91-L101 HydrophobicContact CD1-CD1 4.09Å
92A96.6Very high96Very high65 Ų6549.3 Ų49.354%0.53729%0.288SS..Hα-helixtrans-60.4-38.8175.600000112.1A88 E89 L94 G95 I96A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 2.94Å; E89-A92 PolarHBondContact O-N 3.11Å; A92-L94 PolarHBondContact O-N 3.37Å; A92-G95 PolarHBondContact O-N 3.16Å; A92-I96 PolarHBondContact N-O 3.11Å
93E96.2Very high95.9Very high102 Ų10251.9 Ų51.948%0.47729%0.288SS..THydrogen-bonded Turntrans-65.6-18.2172.9-73.6178.1-160.500113.7K3 K7 E89 L91K3-E93 WeakPolarHBondContact CD-OE1 3.48Å; K3-E93 WeakPolarHBondContact CE-OE1 3.47Å; K3-E93 IonicContact NZ-OE1 3.85Å; K3-E93 PolarHBondContact NZ-OE1 2.6Å; K7-E93 HydrophobicContact CD-CB 4.33Å; K7-E93 IonicContact NZ-OE2 2.87Å; K7-E93 PolarHBondContact NZ-OE2 2.82Å; E89-E93 PolarHBondContact O-N 3.21Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 3.43Å
94L94.4Very high95.8Very high44 Ų4452.2 Ų52.223%0.2329%0.294CS..THydrogen-bonded Turntrans-97.24.8172.7-64.3175.1000112.7K7 F10 V22 A90 L91 A92 I96K7-L94 HydrophobicContact CB-CD1 4.37Å; K7-L94 HydrophobicContact CD-CD1 4.45Å; K7-L94 HydrophobicContact CD-CD2 4.24Å; K7-L94 HydrophobicContact CD-CG 4.1Å; K7-L94 HydrophobicContact CG-CD1 4.07Å; K7-L94 HydrophobicContact CG-CG 4.27Å; F10-L94 HydrophobicContact CD1-CD1 3.96Å; F10-L94 HydrophobicContact CE1-CD1 4.46Å; V22-L94 HydrophobicContact CG1-CB 4.47Å; A90-L94 PolarHBondContact O-N 2.78Å; L91-L94 CarbonylContact O-C 3.56Å; L91-L94 WeakPolarHBondContact O-CA 3.48Å; L91-L94 WeakPolarHBondContact O-CB 3.44Å; L91-L94 PolarHBondContact O-N 3.26Å; A92-L94 PolarHBondContact O-N 3.37Å; L94-I96 HydrophobicContact CB-CD1 4.15Å; L94-I96 HydrophobicContact CB-CG1 4.47Å
95G95Very high95.8Very high74 Ų7450.8 Ų50.876%0.76329%0.286SS*.THydrogen-bonded Turntrans77.221.1-178.300000114.7L91 A92L91-G95 PolarHBondContact O-N 2.87Å; L91-G95 VanDerWaalsContact O-N 3.15Å; A92-G95 PolarHBondContact O-N 3.16Å
96I96.3Very high95.8Very high15 Ų1546.3 Ų46.38%0.07727%0.27CS..  trans-113.5128.8-177.9-56.1162.8000109.9F10 V22 L30 L91 A92 L94 L101F10-I96 HydrophobicContact CE1-CD1 3.85Å; F10-I96 HydrophobicContact CZ-CD1 4.2Å; V22-I96 HydrophobicContact CG1-CD1 3.76Å; V22-I96 HydrophobicContact CG1-CG1 4.15Å; L30-I96 HydrophobicContact CD1-CD1 4.08Å; L30-I96 HydrophobicContact CD1-CG1 4.06Å; L30-I96 HydrophobicContact CD1-CG2 4.3Å; L30-I96 HydrophobicContact CD2-CD1 3.84Å; L91-I96 CarbonylContact C-O 3.34Å; L91-I96 HydrophobicContact CB-CB 4.09Å; L91-I96 HydrophobicContact CB-CG2 4.4Å; L91-I96 WeakPolarHBondContact CB-O 3.49Å; L91-I96 HydrophobicContact CD2-CB 4.32Å; L91-I96 HydrophobicContact CD2-CD1 3.88Å; L91-I96 HydrophobicContact CD2-CG2 4.33Å; L91-I96 PolarHBondContact O-N 3.37Å; A92-I96 PolarHBondContact N-O 3.11Å; L94-I96 HydrophobicContact CB-CD1 4.15Å; L94-I96 HydrophobicContact CB-CG1 4.47Å; I96-L101 HydrophobicContact CG2-CD1 3.81Å; I96-L101 HydrophobicContact CG2-CD2 4.09Å; I96-L101 HydrophobicContact CG2-CG 3.85Å
97D95.6Very high95.8Very high88 Ų8845.6 Ų45.647%0.47127%0.267SS..  trans-85.6126.9168.6-167.2-20.9000110.4E99 D100 L101D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.35Å; D97-E99 PolarHBondContact OD1-N 3.11Å; D97-D100 HydrophobicContact CB-CB 4.32Å; D97-D100 PolarHBondContact O-N 2.95Å; D97-L101 PolarHBondContact O-N 3.01Å
98L96.7Very high95.8Very high8 Ų845.8 Ų45.84%0.04227%0.268CS..Hα-helixtrans-63.5-32.2176.3177.661.8000112.1L34 L74 L78 L84 A88 L91 D100 L101 A102L34-L98 HydrophobicContact CD2-CD1 3.93Å; L74-L98 HydrophobicContact CD2-CD1 4.22Å; L78-L98 HydrophobicContact CD1-CD1 3.83Å; L78-L98 HydrophobicContact CD1-CD2 3.95Å; L84-L98 HydrophobicContact CD1-CD2 3.68Å; A88-L98 HydrophobicContact CB-CD2 3.99Å; L91-L98 HydrophobicContact CD1-CB 4.24Å; L91-L98 HydrophobicContact CD1-CD1 3.92Å; L98-D100 VanDerWaalsContact C-N 3.34Å; L98-L101 PolarHBondContact O-N 2.91Å; L98-A102 WeakPolarHBondContact O-CB 3.41Å; L98-A102 PolarHBondContact O-N 3.07Å
99E94.2Very high95.8Very high86 Ų8644.4 Ų44.440%0.40226%0.257SS..Hα-helixtrans-65.6-39.2178.5-62-58.7157.800111.3K75 D97 L101 A102 E103K75-E99 IonicContact NZ-OE1 2.73Å; K75-E99 PolarHBondContact NZ-OE1 2.65Å; K75-E99 IonicContact NZ-OE2 3.84Å; K75-E99 PolarHBondContact NZ-OE2 2.77Å; D97-E99 VanDerWaalsContact C-N 3.26Å; D97-E99 PolarHBondContact O-N 3.35Å; D97-E99 PolarHBondContact OD1-N 3.11Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 3.47Å; E99-A102 PolarHBondContact O-N 3.16Å; E99-E103 WeakPolarHBondContact O-CG 3.46Å; E99-E103 PolarHBondContact O-N 3.28Å
100D93.6Very high95.8Very high103 Ų10339.3 Ų39.355%0.55123%0.233SC*.Hα-helixtrans-61.9-40.7175.6-73.8-20.3000111.2D97 L98 E103 V104D97-D100 HydrophobicContact CB-CB 4.32Å; D97-D100 PolarHBondContact O-N 2.95Å; L98-D100 VanDerWaalsContact C-N 3.34Å; D100-E103 PolarHBondContact O-N 3Å; D100-V104 PolarHBondContact O-N 2.89Å
101L95.2Very high95.7Very high3 Ų339.9 Ų39.92%0.01624%0.238CC..Hα-helixtrans-67.4-38.8175.2-60-167.8000112.5L30 L34 L74 L91 I96 D97 L98 E99 E103 V104L30-L101 HydrophobicContact CB-CD1 4.25Å; L30-L101 HydrophobicContact CB-CD2 3.52Å; L30-L101 HydrophobicContact CD1-CD2 4.24Å; L34-L101 HydrophobicContact CD2-CD1 3.95Å; L74-L101 HydrophobicContact CD2-CB 4.39Å; L91-L101 HydrophobicContact CD1-CD1 4.09Å; I96-L101 HydrophobicContact CG2-CD1 3.81Å; I96-L101 HydrophobicContact CG2-CD2 4.09Å; I96-L101 HydrophobicContact CG2-CG 3.85Å; D97-L101 PolarHBondContact O-N 3.01Å; L98-L101 PolarHBondContact O-N 2.91Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 3.47Å; L101-E103 VanDerWaalsContact C-N 3.27Å; L101-E103 PolarHBondContact O-N 3.39Å; L101-V104 WeakPolarHBondContact O-CB 3.48Å; L101-V104 PolarHBondContact O-N 2.97Å
102A95.1Very high95.4Very high5 Ų541.8 Ų41.84%0.04125%0.249CC..Hα-helixtrans-67.4-28.8177.200000112.2K72 L74 K75 L98 E99 V104K72-A102 WeakPolarHBondContact CD-O 3.35Å; K72-A102 PolarHBondContact NZ-O 2.93Å; L74-A102 HydrophobicContact CD2-CB 4.33Å; K75-A102 HydrophobicContact CD-CB 3.87Å; K75-A102 HydrophobicContact CG-CB 4.02Å; L98-A102 WeakPolarHBondContact O-CB 3.41Å; L98-A102 PolarHBondContact O-N 3.07Å; E99-A102 PolarHBondContact O-N 3.16Å; A102-V104 VanDerWaalsContact C-N 3.32Å
103E94.1Very high95.1Very high98 Ų9839.1 Ų39.146%0.45823%0.228SC..Hα-helixtrans-70.6-25.6174.4-74.6-57.5131.300113.5K72 E99 D100 L101 E105 R619K72-E103 PolarHBondContact NZ-O 3.19Å; K72-E103 IonicContact NZ-OE1 3.86Å; K72-E103 IonicContact NZ-OE2 3.76Å; E99-E103 WeakPolarHBondContact O-CG 3.46Å; E99-E103 PolarHBondContact O-N 3.28Å; D100-E103 PolarHBondContact O-N 3Å; L101-E103 VanDerWaalsContact C-N 3.27Å; L101-E103 PolarHBondContact O-N 3.39Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-R619 IonicContact OE1-CZ 3.35Å; E103-R619 IonicContact OE1-NH2 2.71Å; E103-R619 PolarHBondContact OE1-NH2 2.81Å; E103-R619 IonicContact OE2-NH2 2.72Å
104V94.9Very high94.9Very high41 Ų4136.1 Ų36.125%0.24822%0.224CC..Hα-helixtrans-66.9-34.7175.9178.50000112.5P27 N28 Y31 D100 L101 A102P27-V104 HydrophobicContact CB-CG2 3.65Å; N28-V104 HydrophobicContact CB-CG1 4.25Å; Y31-V104 HydrophobicContact CD1-CG1 3.99Å; Y31-V104 HydrophobicContact CG-CB 4.33Å; Y31-V104 HydrophobicContact CG-CG1 4.2Å; D100-V104 PolarHBondContact O-N 2.89Å; L101-V104 WeakPolarHBondContact O-CB 3.48Å; L101-V104 PolarHBondContact O-N 2.97Å; A102-V104 VanDerWaalsContact C-N 3.32Å
105E96.5Very high94.8Very high4 Ų435 Ų352%0.01922%0.218CC..SBendtrans-64.4127179.3179.2169.6-160.900110.9Y31 K72 M73 L74 E103 W168Y31-E105 HydrophobicContact CD2-CB 4.49Å; Y31-E105 HydrophobicContact CE2-CB 3.65Å; Y31-E105 HydrophobicContact CE2-CG 4.19Å; Y31-E105 VanDerWaalsContact OH-CG 3.28Å; Y31-E105 WeakPolarHBondContact OH-CG 3.33Å; K72-E105 HydrophobicContact CB-CG 4.07Å; K72-E105 WeakPolarHBondContact CB-OE2 3.23Å; K72-E105 HydrophobicContact CD-CB 4.2Å; K72-E105 HydrophobicContact CD-CG 4.37Å; K72-E105 WeakPolarHBondContact CD-O 3.46Å; K72-E105 WeakPolarHBondContact CE-O 3.33Å; K72-E105 HydrophobicContact CG-CB 4.37Å; K72-E105 HydrophobicContact CG-CG 3.99Å; K72-E105 PolarHBondContact NZ-O 2.96Å; M73-E105 VanDerWaalsContact N-CD 3.32Å; M73-E105 PolarHBondContact N-OE1 3.33Å; M73-E105 PolarHBondContact N-OE2 2.52Å; L74-E105 WeakPolarHBondContact CB-OE2 3.31Å; L74-E105 PolarHBondContact N-OE2 3.27Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E105-W168 PolarHBondContact OE1-NE1 3.09Å
106P95.6Very high94.9Very high58 Ų5831.4 Ų31.438%0.37718%0.182SC..PPolyproline II helixtrans-75.8147.1168.931.2-32.9000111M108 W161P106-M108 PolarHBondContact O-N 2.98Å; P106-W161 HydrophobicContact CB-CB 4.18Å; P106-W161 HydrophobicContact CG-CB 4.41Å; P106-W161 WeakPolarHBondContact CG-O 3.43Å
107D96.8Very high94.9Very high20 Ų2031.2 Ų31.211%0.10718%0.18CC..PPolyproline II helixtrans-59.8135.2163.3-74.762.9000109A109 N613 V614 S615D107-A109 PolarHBondContact O-N 3.19Å; D107-N613 PolarHBondContact OD1-ND2 2.86Å; D107-V614 WeakPolarHBondContact OD2-CB 3.37Å; D107-V614 PolarHBondContact OD2-N 3.5Å; D107-S615 WeakPolarHBondContact OD1-CB 3.24Å; D107-S615 PolarHBondContact OD1-OG 2.91Å; D107-S615 VanDerWaalsContact OD1-OG 3.07Å; D107-S615 PolarHBondContact OD2-N 3.39Å; D107-S615 VanDerWaalsContact OD2-N 3.11Å
108M97.2Very high95Very high4 Ų427 Ų272%0.0216%0.158CC..PPolyproline II helixtrans-67.4116.4173.8-56.2-176.6171.200109.9P70 M73 P106 L110 W161 N166 W168P70-M108 HydrophobicContact CG-CB 3.91Å; P70-M108 HydrophobicContact CG-CG 4.16Å; P70-M108 HydrophobicContact CG-SD 3.65Å; M73-M108 HydrophobicContact CG-CE 3.64Å; M73-M108 HydrophobicContact CG-SD 4.38Å; P106-M108 PolarHBondContact O-N 2.98Å; M108-L110 HydrophobicContact CB-CD1 3.84Å; M108-L110 HydrophobicContact CB-CG 4.05Å; M108-L110 PolarHBondContact O-N 3.35Å; M108-L110 HydrophobicContact SD-CD1 4.13Å; M108-W161 HydrophobicContact CB-CD2 4.48Å; M108-W161 HydrophobicContact CB-CE3 3.93Å; M108-W161 HydrophobicContact CB-CH2 4.21Å; M108-W161 HydrophobicContact CB-CZ3 3.78Å; M108-W161 HydrophobicContact CG-CE3 3.96Å; M108-W161 HydrophobicContact CG-CH2 4.31Å; M108-W161 HydrophobicContact CG-CZ3 3.59Å; M108-W161 HydrophobicContact SD-CZ3 4.27Å; M108-N166 WeakPolarHBondContact CE-OD1 3.5Å; M108-W168 HydrophobicContact CE-CB 3.88Å; M108-W168 VanDerWaalsContact CE-CD1 3.46Å; M108-W168 HydrophobicContact CE-CG 3.96Å
109A97.2Very high95.1Very high6 Ų626.7 Ų26.75%0.0516%0.156CC..  trans-79.863.9-17800000111D107 G143 D159 W161D107-A109 PolarHBondContact O-N 3.19Å; A109-G143 WeakPolarHBondContact O-CA 3.49Å; A109-D159 HydrophobicContact CB-CB 3.9Å; A109-W161 HydrophobicContact CB-CB 4.32Å; A109-W161 VanDerWaalsContact CB-CD1 3.42Å; A109-W161 HydrophobicContact CB-CG 3.88Å
110L97.3Very high95.3Very high2 Ų222.7 Ų22.71%0.0114%0.137CC..  trans-113.84.4-172.7-67.2174.6000113.5E67 F68 M108 Y140 W161 L227E67-L110 WeakPolarHBondContact CA-O 3.21Å; F68-L110 PolarHBondContact N-O 3.44Å; F68-L110 CarbonylContact O-C 3.53Å; F68-L110 WeakPolarHBondContact O-CA 3.46Å; F68-L110 WeakPolarHBondContact O-CB 3.28Å; M108-L110 HydrophobicContact CB-CD1 3.84Å; M108-L110 HydrophobicContact CB-CG 4.05Å; M108-L110 PolarHBondContact O-N 3.35Å; M108-L110 HydrophobicContact SD-CD1 4.13Å; L110-Y140 HydrophobicContact CD2-CD2 4.23Å; L110-W161 HydrophobicContact CD1-CH2 4.16Å; L110-W161 HydrophobicContact CD1-CZ2 4.36Å; L110-W161 HydrophobicContact CD2-CH2 4.28Å; L110-W161 HydrophobicContact CD2-CZ2 3.69Å; L110-W161 HydrophobicContact CG-CH2 4.22Å; L110-W161 HydrophobicContact CG-CZ2 3.93Å; L110-L227 HydrophobicContact CD1-CD1 3.39Å; L110-L227 HydrophobicContact CD2-CD1 4.11Å; L110-L227 HydrophobicContact CG-CD1 4.4Å
111G94.6Very high95.5Very high11 Ų1117.9 Ų17.911%0.11311%0.112CC..  trans-160.9173.7-17700000113.8F68 L69 L256F68-G111 PolarHBondContact O-N 2.92Å; L69-G111 WeakPolarHBondContact CD1-O 3.47Å; G111-L256 VanDerWaalsContact C-CD2 3.49Å; G111-L256 VanDerWaalsContact CA-CD2 3.42Å
112N90.3Very high95.7Very high40 Ų4017.8 Ų17.821%0.21411%0.111CC..  trans-122.7-53.8-179.9177.113.2000111.5E67 L144 L256 Y257E67-N112 VanDerWaalsContact OE2-CB 3.32Å; E67-N112 WeakPolarHBondContact OE2-CB 3.34Å; E67-N112 PolarHBondContact OE2-N 3.22Å; N112-L144 HydrophobicContact CB-CD2 3.99Å; N112-L144 VanDerWaalsContact CG-CD2 3.44Å; N112-L256 HydrophobicContact CB-CD2 4.16Å; N112-Y257 HydrophobicContact CB-CD2 4.48Å; N112-Y257 HydrophobicContact CB-CE2 4.24Å
113G90.8Very high95.8Very high9 Ų917.5 Ų17.59%0.09311%0.109CC..SBendtrans-123.8-156.7-159.300000116.2E67 L115 R117E67-G113 PolarHBondContact OE1-N 3.01Å; E67-G113 PolarHBondContact OE2-N 3.48Å; G113-L115 VanDerWaalsContact C-N 3.3Å; G113-L115 PolarHBondContact O-N 3.21Å; G113-R117 WeakPolarHBondContact O-CB 3.43Å; G113-R117 PolarHBondContact O-N 3.42Å; G113-R117 VanDerWaalsContact O-N 3.16Å
114G91Very high96Very high39 Ų3913.3 Ų13.340%0.4029%0.09SC..Hα-helixtrans-65.6-31178.500000113.3L118G114-L118 WeakPolarHBondContact O-CB 3.19Å; G114-L118 PolarHBondContact O-N 2.93Å
115L93.6Very high96.2Very high20 Ų2011.3 Ų11.311%0.1058%0.078CC..Hα-helixtrans-64.8-51179.2178.378.7000110.5E67 G113 R117 L118 A119 N307 D308 H346E67-L115 HydrophobicContact CG-CB 4.39Å; E67-L115 HydrophobicContact CG-CD2 4.1Å; E67-L115 HydrophobicContact CG-CG 4.31Å; E67-L115 VanDerWaalsContact OE1-CB 3.26Å; E67-L115 WeakPolarHBondContact OE1-CB 3.22Å; G113-L115 VanDerWaalsContact C-N 3.3Å; G113-L115 PolarHBondContact O-N 3.21Å; L115-R117 VanDerWaalsContact C-N 3.35Å; L115-R117 PolarHBondContact O-N 3.26Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 2.96Å; L115-A119 PolarHBondContact O-N 2.91Å; L115-N307 WeakPolarHBondContact CD1-ND2 3.4Å; L115-N307 WeakPolarHBondContact CD1-OD1 3.45Å; L115-D308 HydrophobicContact CD1-CB 4.46Å; L115-D308 HydrophobicContact CD2-CB 4.42Å; L115-H346 HydrophobicContact CD1-CB 4.16Å; L115-H346 VanDerWaalsContact CD1-CD2 3.4Å; L115-H346 WeakPolarHBondContact CD1-CD2 3.29Å
116G95.9Very high96.2Very high0 Ų011.2 Ų11.20%08%0.077CC..Hα-helixtrans-68.5-35.1178.800000112.4E67 L69 A119 S120E67-G116 VanDerWaalsContact CD-N 3.33Å; E67-G116 WeakPolarHBondContact O-CA 3.36Å; E67-G116 PolarHBondContact OE1-N 2.75Å; L69-G116 PolarHBondContact N-O 3.38Å; G116-A119 PolarHBondContact O-N 3.13Å; G116-S120 PolarHBondContact O-N 2.96Å; G116-S120 PolarHBondContact O-OG 3Å
117R97.8Very high96.3Very high10 Ų108.4 Ų8.44%0.0386%0.059CC..Hα-helixtrans-70.9-34.1175.5-165.253.3-105.4-166.7-0.1112.8L69 P70 G113 L115 C121 W455L69-R117 HydrophobicContact CB-CB 4.28Å; L69-R117 HydrophobicContact CD2-CB 4.18Å; L69-R117 VanDerWaalsContact O-CD 3.22Å; L69-R117 WeakPolarHBondContact O-CD 3.34Å; L69-R117 PolarHBondContact O-NE 3.31Å; L69-R117 PolarHBondContact O-NH1 3.17Å; P70-R117 VanDerWaalsContact C-NH1 3.28Å; P70-R117 PolarHBondContact O-NH1 3.04Å; G113-R117 WeakPolarHBondContact O-CB 3.43Å; G113-R117 PolarHBondContact O-N 3.42Å; G113-R117 VanDerWaalsContact O-N 3.16Å; L115-R117 VanDerWaalsContact C-N 3.35Å; L115-R117 PolarHBondContact O-N 3.26Å; R117-C121 PolarHBondContact O-N 2.95Å; R117-C121 PolarHBondContact O-SG 3.08Å; R117-C121 VanDerWaalsContact O-SG 3.4Å; R117-W455 HydrophobicContact CG-CZ2 3.98Å
118L97.6Very high96.3Very high1 Ų18.5 Ų8.51%0.0056%0.061CC..Hα-helixtrans-63.6-51.8171-179.474.5000110.1G114 L115 S120 C121 F122 H346 N448 T640G114-L118 WeakPolarHBondContact O-CB 3.19Å; G114-L118 PolarHBondContact O-N 2.93Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 2.96Å; L118-S120 VanDerWaalsContact C-N 3.26Å; L118-S120 PolarHBondContact O-N 2.94Å; L118-C121 CarbonylContact O-C 3.53Å; L118-C121 WeakPolarHBondContact O-CA 3.47Å; L118-C121 WeakPolarHBondContact O-CB 3.28Å; L118-C121 PolarHBondContact O-N 2.91Å; L118-F122 HydrophobicContact CD1-CD1 3.99Å; L118-F122 HydrophobicContact CD1-CE1 3.37Å; L118-F122 HydrophobicContact CD1-CZ 3.67Å; L118-F122 HydrophobicContact CD2-CE2 4.36Å; L118-F122 HydrophobicContact CD2-CZ 4.13Å; L118-F122 HydrophobicContact CG-CD1 4.24Å; L118-F122 HydrophobicContact CG-CE1 3.9Å; L118-F122 HydrophobicContact CG-CE2 4.26Å; L118-F122 HydrophobicContact CG-CZ 3.89Å; L118-F122 PolarHBondContact O-N 3.01Å; L118-H346 WeakPolarHBondContact CD2-CE1 3.47Å; L118-N448 HydrophobicContact CD1-CB 3.85Å; L118-N448 WeakPolarHBondContact CD2-OD1 3.19Å; L118-T640 HydrophobicContact CD1-CG2 4.5Å
119A98.1Very high96.2Very high0 Ų010.3 Ų10.30%07%0.07CC..Hα-helixtrans-52.2-45.6177.500000111.3Y63 F68 L115 G116 F122 M123Y63-A119 HydrophobicContact CD1-CB 4.27Å; Y63-A119 HydrophobicContact CE1-CB 3.67Å; F68-A119 HydrophobicContact CD1-CB 3.68Å; F68-A119 HydrophobicContact CE1-CB 3.72Å; F68-A119 HydrophobicContact CG-CB 4.43Å; F68-A119 HydrophobicContact CZ-CB 4.49Å; L115-A119 PolarHBondContact O-N 2.91Å; G116-A119 PolarHBondContact O-N 3.13Å; A119-F122 PolarHBondContact O-N 2.88Å; A119-M123 WeakPolarHBondContact O-CG 3.21Å; A119-M123 PolarHBondContact O-N 3.04Å
120S98.3Very high96.1Very high2 Ų210.3 Ų10.31%0.0147%0.071CC..Hα-helixtrans-69.5-31.9175.9-61.10000114.6L69 P70 G116 L118 D124L69-S120 PolarHBondContact N-OG 3.39Å; P70-S120 WeakPolarHBondContact CA-OG 3.4Å; P70-S120 VanDerWaalsContact N-OG 3.1Å; G116-S120 PolarHBondContact O-N 2.96Å; G116-S120 PolarHBondContact O-OG 3Å; L118-S120 VanDerWaalsContact C-N 3.26Å; L118-S120 PolarHBondContact O-N 2.94Å; S120-D124 PolarHBondContact O-N 3.11Å
121C98.5Very high96.1Very high2 Ų210.2 Ų10.21%0.0147%0.07CC..Hα-helixtrans-69.4-35.4171.4-77.40000111.8R117 L118 D124 S125 A451R117-C121 PolarHBondContact O-N 2.95Å; R117-C121 PolarHBondContact O-SG 3.08Å; R117-C121 VanDerWaalsContact O-SG 3.4Å; L118-C121 CarbonylContact O-C 3.53Å; L118-C121 WeakPolarHBondContact O-CA 3.47Å; L118-C121 WeakPolarHBondContact O-CB 3.28Å; L118-C121 PolarHBondContact O-N 2.91Å; C121-D124 PolarHBondContact O-N 3.37Å; C121-S125 WeakPolarHBondContact O-CB 3.18Å; C121-S125 PolarHBondContact O-N 2.89Å; C121-S125 PolarHBondContact O-OG 2.63Å; C121-A451 HydrophobicContact CB-CB 4.08Å; C121-A451 PolarHBondContact SG-N 3.22Å; C121-A451 VanDerWaalsContact SG-N 3.38Å
122F98.2Very high96.2Very high1 Ų19.7 Ų9.70%0.0047%0.065CC..Hα-helixtrans-66-47173.7-77.111.7000110.7Y63 L118 A119 D124 S125 I126 T781 V782 Y785Y63-F122 HydrophobicContact CD2-CD2 4.49Å; Y63-F122 AromaticContact CE2-CD2 3.78Å; Y63-F122 HydrophobicContact CE2-CD2 3.78Å; Y63-F122 HydrophobicContact CE2-CE2 4.2Å; Y63-F122 AromaticContact CZ-CD2 3.97Å; L118-F122 HydrophobicContact CD1-CD1 3.99Å; L118-F122 HydrophobicContact CD1-CE1 3.37Å; L118-F122 HydrophobicContact CD1-CZ 3.67Å; L118-F122 HydrophobicContact CD2-CE2 4.36Å; L118-F122 HydrophobicContact CD2-CZ 4.13Å; L118-F122 HydrophobicContact CG-CD1 4.24Å; L118-F122 HydrophobicContact CG-CE1 3.9Å; L118-F122 HydrophobicContact CG-CE2 4.26Å; L118-F122 HydrophobicContact CG-CZ 3.89Å; L118-F122 PolarHBondContact O-N 3.01Å; A119-F122 PolarHBondContact O-N 2.88Å; F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 3.36Å; F122-S125 PolarHBondContact O-N 3.05Å; F122-I126 HydrophobicContact CB-CD1 4.41Å; F122-I126 WeakPolarHBondContact O-CB 3.2Å; F122-I126 WeakPolarHBondContact O-CG1 3.41Å; F122-I126 PolarHBondContact O-N 2.66Å; F122-T781 HydrophobicContact CE1-CG2 3.69Å; F122-T781 HydrophobicContact CZ-CG2 3.49Å; F122-T781 VanDerWaalsContact CZ-CG2 3.49Å; F122-V782 HydrophobicContact CB-CG2 4.04Å; F122-V782 HydrophobicContact CD1-CG2 3.76Å; F122-V782 HydrophobicContact CD2-CG2 4.38Å; F122-V782 HydrophobicContact CE1-CG2 4.3Å; F122-V782 HydrophobicContact CG-CG2 3.81Å; F122-Y785 HydrophobicContact CE2-CD2 4.13Å; F122-Y785 AromaticContact CE2-CE2 3.7Å; F122-Y785 HydrophobicContact CE2-CE2 3.7Å; F122-Y785 HydrophobicContact CZ-CD2 4.28Å; F122-Y785 AromaticContact CZ-CE2 3.75Å; F122-Y785 HydrophobicContact CZ-CE2 3.75Å
123M98.3Very high96.5Very high0 Ų07.8 Ų7.80%06%0.055CC..Hα-helixtrans-56.5-41.2176.1-70.4-49-55.300112.9F68 A119 I126 A127 G135 M214F68-M123 HydrophobicContact CD1-CG 4.21Å; F68-M123 HydrophobicContact CE1-CG 3.8Å; F68-M123 HydrophobicContact CE1-SD 4.43Å; A119-M123 WeakPolarHBondContact O-CG 3.21Å; A119-M123 PolarHBondContact O-N 3.04Å; M123-I126 HydrophobicContact SD-CD1 4.5Å; M123-A127 PolarHBondContact O-N 2.87Å; M123-G135 VanDerWaalsContact CE-N 3.29Å; M123-G135 PolarHBondContact SD-N 3.17Å; M123-G135 VanDerWaalsContact SD-N 3.42Å; M123-M214 HydrophobicContact CB-CE 3.82Å; M123-M214 HydrophobicContact CB-CG 4.19Å; M123-M214 HydrophobicContact CB-SD 4.46Å; M123-M214 HydrophobicContact CE-CB 4.48Å; M123-M214 HydrophobicContact CE-CG 3.85Å
124D98.2Very high96.9Very high9 Ų98.1 Ų8.15%0.0486%0.055CC..Hα-helixtrans-65.3-41.9174.4177.7-87.7000112.3N80 S120 C121 F122 S128 A451 R453N80-D124 PolarHBondContact ND2-OD2 3.41Å; S120-D124 PolarHBondContact O-N 3.11Å; C121-D124 PolarHBondContact O-N 3.37Å; F122-D124 VanDerWaalsContact C-N 3.28Å; F122-D124 PolarHBondContact O-N 3.36Å; D124-S128 WeakPolarHBondContact O-CB 3.46Å; D124-S128 PolarHBondContact O-N 3.18Å; D124-S128 PolarHBondContact O-OG 2.98Å; D124-A451 HydrophobicContact CB-CB 4.34Å; D124-R453 IonicContact OD1-CZ 3.47Å; D124-R453 IonicContact OD1-NE 2.92Å; D124-R453 PolarHBondContact OD1-NE 2.78Å; D124-R453 IonicContact OD1-NH2 3.74Å; D124-R453 PolarHBondContact OD1-NH2 2.58Å
125S97.9Very high97.2Very high0 Ų06.4 Ų6.40%04%0.037CC..Hα-helixtrans-72.7-43.5-178.1-50.60000112.3C121 F122 A127 S128 M129 R453 S778 D779C121-S125 WeakPolarHBondContact O-CB 3.18Å; C121-S125 PolarHBondContact O-N 2.89Å; C121-S125 PolarHBondContact O-OG 2.63Å; F122-S125 PolarHBondContact O-N 3.05Å; S125-A127 VanDerWaalsContact C-N 3.32Å; S125-A127 PolarHBondContact O-N 3.14Å; S125-S128 PolarHBondContact O-N 3.29Å; S125-M129 VanDerWaalsContact O-CB 3.32Å; S125-M129 WeakPolarHBondContact O-CB 3.48Å; S125-M129 WeakPolarHBondContact O-CG 3.46Å; S125-M129 PolarHBondContact O-N 3.34Å; S125-R453 PolarHBondContact OG-NH2 3.14Å; S125-R453 VanDerWaalsContact OG-NH2 3.09Å; S125-S778 VanDerWaalsContact OG-CB 3.25Å; S125-S778 WeakPolarHBondContact OG-CB 3.47Å; S125-S778 PolarHBondContact OG-OG 2.93Å; S125-D779 VanDerWaalsContact CB-OD1 3.27Å; S125-D779 WeakPolarHBondContact CB-OD1 3.44Å; S125-D779 PolarHBondContact OG-OD1 2.9Å
126I97.8Very high97.5Very high1 Ų15.6 Ų5.61%0.0053%0.033CC..Hα-helixtrans-54.5-50.7174.9-68167.8000109.4F122 M123 M129 G130 L131 G133 N223 V782 W790F122-I126 HydrophobicContact CB-CD1 4.41Å; F122-I126 WeakPolarHBondContact O-CB 3.2Å; F122-I126 WeakPolarHBondContact O-CG1 3.41Å; F122-I126 PolarHBondContact O-N 2.66Å; M123-I126 HydrophobicContact SD-CD1 4.5Å; I126-M129 PolarHBondContact O-N 2.85Å; I126-G130 PolarHBondContact O-N 3.43Å; I126-L131 HydrophobicContact CG2-CB 3.9Å; I126-L131 VanDerWaalsContact CG2-O 3.32Å; I126-L131 WeakPolarHBondContact CG2-O 3.32Å; I126-L131 PolarHBondContact O-N 3.28Å; I126-G133 VanDerWaalsContact CG2-CA 3.42Å; I126-N223 WeakPolarHBondContact CG2-ND2 3.3Å; I126-V782 HydrophobicContact CB-CG1 4.42Å; I126-V782 HydrophobicContact CG1-CG1 3.54Å; I126-V782 HydrophobicContact CG1-CG2 4.1Å; I126-W790 HydrophobicContact CD1-CH2 4.34Å; I126-W790 HydrophobicContact CD1-CZ3 4.19Å; I126-W790 HydrophobicContact CG1-CZ3 4.44Å
127A97.1Very high97.6Very high0 Ų05.6 Ų5.60%03%0.033CC..Hα-helixtrans-65.1-42.7177.800000112.2M123 S125 M129 G130 M214 G216 N219 N223M123-A127 PolarHBondContact O-N 2.87Å; S125-A127 VanDerWaalsContact C-N 3.32Å; S125-A127 PolarHBondContact O-N 3.14Å; A127-M129 VanDerWaalsContact C-N 3.28Å; A127-M129 PolarHBondContact O-N 3.36Å; A127-G130 PolarHBondContact O-N 2.98Å; A127-G130 VanDerWaalsContact O-N 3.07Å; A127-M214 HydrophobicContact CB-CB 4.38Å; A127-M214 VanDerWaalsContact CB-O 3.29Å; A127-M214 WeakPolarHBondContact CB-O 3.45Å; A127-G216 VanDerWaalsContact C-CA 3.46Å; A127-G216 WeakPolarHBondContact O-CA 3.29Å; A127-N219 PolarHBondContact O-ND2 3.04Å; A127-N223 HydrophobicContact CB-CB 4.31Å
128S96.6Very high97.6Very high22 Ų225.2 Ų5.215%0.1543%0.031CC..Hα-helixtrans-67.2-27.1-179-61.50000113.8D124 S125 G130 Y217 N219D124-S128 WeakPolarHBondContact O-CB 3.46Å; D124-S128 PolarHBondContact O-N 3.18Å; D124-S128 PolarHBondContact O-OG 2.98Å; S125-S128 PolarHBondContact O-N 3.29Å; S128-G130 VanDerWaalsContact C-N 3.33Å; S128-Y217 WeakPolarHBondContact OG-CB 3.33Å; S128-Y217 PolarHBondContact OG-N 3.48Å; S128-N219 PolarHBondContact O-ND2 3.13Å
129M95Very high97.6Very high41 Ų416.1 Ų6.120%0.2023%0.034CC..THydrogen-bonded Turntrans-89-2.5174.8-65.2169.265.600112.9S125 I126 A127 L131 D779 V782 Q783 P794S125-M129 VanDerWaalsContact O-CB 3.32Å; S125-M129 WeakPolarHBondContact O-CB 3.48Å; S125-M129 WeakPolarHBondContact O-CG 3.46Å; S125-M129 PolarHBondContact O-N 3.34Å; I126-M129 PolarHBondContact O-N 2.85Å; A127-M129 VanDerWaalsContact C-N 3.28Å; A127-M129 PolarHBondContact O-N 3.36Å; M129-L131 VanDerWaalsContact C-N 3.28Å; M129-L131 HydrophobicContact CB-CD1 3.97Å; M129-L131 HydrophobicContact CB-CG 3.99Å; M129-L131 HydrophobicContact CE-CD1 3.85Å; M129-L131 PolarHBondContact O-N 3.32Å; M129-L131 HydrophobicContact SD-CD1 4.18Å; M129-D779 HydrophobicContact CG-CB 4.4Å; M129-D779 HydrophobicContact SD-CB 3.8Å; M129-D779 VanDerWaalsContact SD-O 3.39Å; M129-V782 HydrophobicContact SD-CB 4.18Å; M129-V782 HydrophobicContact SD-CG1 3.95Å; M129-Q783 HydrophobicContact CE-CB 3.62Å; M129-Q783 HydrophobicContact CE-CG 4.2Å; M129-P794 WeakPolarHBondContact O-CG 3.4Å
130G95.1Very high97.6Very high6 Ų66.1 Ų6.16%0.0624%0.035CC..THydrogen-bonded Turntrans72.218.9-178.900000114.4I126 A127 S128 P794I126-G130 PolarHBondContact O-N 3.43Å; A127-G130 PolarHBondContact O-N 2.98Å; A127-G130 VanDerWaalsContact O-N 3.07Å; S128-G130 VanDerWaalsContact C-N 3.33Å; G130-P794 VanDerWaalsContact O-CA 3.3Å; G130-P794 WeakPolarHBondContact O-CA 3.49Å
131L96.6Very high97.6Very high0 Ų08.9 Ų8.90%05%0.047CC..  trans-80.1142.4-178.3-66167.9000111Y53 I126 M129 G133 N223 V782 A786 I792 P794Y53-L131 PolarHBondContact OH-O 3.39Å; I126-L131 HydrophobicContact CG2-CB 3.9Å; I126-L131 VanDerWaalsContact CG2-O 3.32Å; I126-L131 WeakPolarHBondContact CG2-O 3.32Å; I126-L131 PolarHBondContact O-N 3.28Å; M129-L131 VanDerWaalsContact C-N 3.28Å; M129-L131 HydrophobicContact CB-CD1 3.97Å; M129-L131 HydrophobicContact CB-CG 3.99Å; M129-L131 HydrophobicContact CE-CD1 3.85Å; M129-L131 PolarHBondContact O-N 3.32Å; M129-L131 HydrophobicContact SD-CD1 4.18Å; L131-G133 VanDerWaalsContact C-N 3.25Å; L131-G133 PolarHBondContact O-N 3.41Å; L131-N223 PolarHBondContact O-ND2 3.22Å; L131-V782 HydrophobicContact CD1-CG1 3.5Å; L131-V782 VanDerWaalsContact CD1-CG1 3.5Å; L131-A786 HydrophobicContact CD1-CB 4.02Å; L131-A786 HydrophobicContact CD2-CB 4.22Å; L131-I792 HydrophobicContact CB-CD1 4.08Å; L131-I792 HydrophobicContact CD2-CG1 4.34Å; L131-P794 HydrophobicContact CD2-CG 3.82Å; L131-P794 HydrophobicContact CG-CG 4.47Å
132P97Very high97.5Very high0 Ų013 Ų130%06%0.063CC..  trans-79.463.9179.633.7-38.7000112.9Y53 K59 Q60 A61 I792 E793Y53-P132 HydrophobicContact CD1-CB 4.1Å; Y53-P132 HydrophobicContact CD2-CB 3.93Å; Y53-P132 HydrophobicContact CE1-CB 3.91Å; Y53-P132 HydrophobicContact CE2-CB 3.74Å; Y53-P132 HydrophobicContact CG-CB 4.12Å; K59-P132 WeakPolarHBondContact O-CG 3.4Å; Q60-P132 CarbonylContact C-O 3.53Å; Q60-P132 WeakPolarHBondContact CA-O 3.46Å; Q60-P132 WeakPolarHBondContact CB-O 3.46Å; Q60-P132 HydrophobicContact CG-CB 4.21Å; A61-P132 PolarHBondContact N-O 3.45Å; P132-I792 HydrophobicContact CG-CB 4.05Å; P132-I792 HydrophobicContact CG-CG2 4.47Å; P132-E793 WeakPolarHBondContact CD-O 3.36Å
133G97.2Very high97.3Very high1 Ų112.9 Ų12.91%0.016%0.063CC..EExtended strand (participates in β ladder)trans-117.4139178.200000113.8A61 I126 L131 N223A61-G133 CarbonylContact O-C 3.33Å; A61-G133 WeakPolarHBondContact O-CA 3.26Å; I126-G133 VanDerWaalsContact CG2-CA 3.42Å; L131-G133 VanDerWaalsContact C-N 3.25Å; L131-G133 PolarHBondContact O-N 3.41Å; G133-N223 WeakPolarHBondContact O-CB 3.13Å; G133-N223 VanDerWaalsContact O-CG 3.32Å; G133-N223 PolarHBondContact O-ND2 3.05Å
134N98Very high97.1Very high16 Ų1613.9 Ų13.99%0.0867%0.068CC..EExtended strand (participates in β ladder)trans-124.9151.6-175.8-58.9-80.1000111.4Q60 A61 Y62 Y63 T224Q60-N134 PolarHBondContact OE1-ND2 3.27Å; A61-N134 PolarHBondContact O-N 2.94Å; Y62-N134 CarbonylContact C-O 3.38Å; Y62-N134 WeakPolarHBondContact CA-O 3.45Å; Y62-N134 HydrophobicContact CD1-CB 3.85Å; Y62-N134 HydrophobicContact CE1-CB 4.01Å; Y63-N134 PolarHBondContact N-O 2.94Å; N134-T224 CarbonylContact C-O 3.56Å; N134-T224 VanDerWaalsContact CA-O 3.26Å; N134-T224 WeakPolarHBondContact CA-O 3.42Å; N134-T224 WeakPolarHBondContact CB-O 3.38Å; N134-T224 PolarHBondContact OD1-N 3.38Å
135G98.6Very high97Very high2 Ų213.7 Ų13.72%0.0217%0.067CC..EExtended strand (participates in β ladder)trans-99.1145.2175.600000111.9M123 T224 R226M123-G135 VanDerWaalsContact CE-N 3.29Å; M123-G135 PolarHBondContact SD-N 3.17Å; M123-G135 VanDerWaalsContact SD-N 3.42Å; G135-T224 PolarHBondContact N-O 2.71Å; G135-R226 PolarHBondContact O-N 3.41Å
136N98.8Very high97Very high4 Ų417.2 Ų17.22%0.0218%0.082CC..EExtended strand (participates in β ladder)trans-132.7120.4175.3-160.2-64.3000110.5Y63 F64 S65 R226 W228 G280Y63-N136 PolarHBondContact O-N 3.06Å; F64-N136 WeakPolarHBondContact CA-O 3.33Å; F64-N136 HydrophobicContact CD1-CB 4.04Å; F64-N136 HydrophobicContact CD2-CB 4.1Å; F64-N136 HydrophobicContact CE1-CB 4.1Å; F64-N136 HydrophobicContact CE2-CB 4.16Å; F64-N136 HydrophobicContact CG-CB 4.05Å; F64-N136 HydrophobicContact CZ-CB 4.16Å; S65-N136 PolarHBondContact N-O 2.95Å; N136-R226 WeakPolarHBondContact CA-O 3.44Å; N136-W228 PolarHBondContact ND2-NE1 3.22Å; N136-W228 PolarHBondContact OD1-NE1 2.97Å; N136-G280 WeakPolarHBondContact ND2-CA 3.29Å
137G98.5Very high97Very high0 Ų017.1 Ų17.10%08%0.081CC..EExtended strand (participates in β ladder)trans-159.9-165.8-178.500000113.1S65 R226 L227 W228S65-G137 WeakPolarHBondContact O-CA 3.27Å; G137-R226 PolarHBondContact N-O 3.03Å; G137-L227 CarbonylContact O-C 3.56Å; G137-L227 WeakPolarHBondContact O-CA 3.37Å; G137-W228 PolarHBondContact O-N 2.9Å
138I98.5Very high97Very high2 Ų222.2 Ų22.21%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-105142.9-177.8-63.2175.1000110.4Y140 T253 Q272 F276I138-Y140 HydrophobicContact CB-CD1 4.34Å; I138-Y140 HydrophobicContact CB-CD2 4.4Å; I138-Y140 HydrophobicContact CB-CE1 3.81Å; I138-Y140 HydrophobicContact CB-CE2 3.87Å; I138-Y140 HydrophobicContact CD1-CE1 4.16Å; I138-Y140 HydrophobicContact CG2-CD1 3.7Å; I138-Y140 HydrophobicContact CG2-CD2 4.4Å; I138-Y140 HydrophobicContact CG2-CE1 3.52Å; I138-Y140 HydrophobicContact CG2-CE2 4.26Å; I138-Y140 HydrophobicContact CG2-CG 4.15Å; I138-Y140 PolarHBondContact O-N 3.25Å; I138-T253 HydrophobicContact CG2-CG2 3.66Å; I138-Q272 HydrophobicContact CD1-CB 4.22Å; I138-F276 HydrophobicContact CD1-CB 3.95Å; I138-F276 HydrophobicContact CD1-CD1 4.02Å; I138-F276 HydrophobicContact CD1-CG 4.24Å; I138-F276 HydrophobicContact CG1-CB 3.49Å; I138-F276 VanDerWaalsContact CG1-CB 3.49Å; I138-F276 HydrophobicContact CG1-CD1 4.28Å; I138-F276 HydrophobicContact CG1-CG 3.99Å
139R98.1Very high97Very high19 Ų1923.2 Ų23.27%0.07210%0.102CC..  trans-89.382172.7-172.9178.3172.1-79.26109.7E141 E169 L227 W228R139-E141 IonicContact NH1-OE2 3.65Å; R139-E141 PolarHBondContact NH1-OE2 2.8Å; R139-E169 IonicContact CZ-OE1 3.68Å; R139-E169 VanDerWaalsContact CZ-OE1 3.31Å; R139-E169 IonicContact CZ-OE2 2.82Å; R139-E169 VanDerWaalsContact NE-CD 3.31Å; R139-E169 IonicContact NE-OE1 2.62Å; R139-E169 PolarHBondContact NE-OE1 3.44Å; R139-E169 IonicContact NE-OE2 3.23Å; R139-E169 PolarHBondContact NE-OE2 2.7Å; R139-E169 IonicContact NH2-OE1 3.41Å; R139-E169 PolarHBondContact NH2-OE1 2.96Å; R139-E169 IonicContact NH2-OE2 3.61Å; R139-L227 HydrophobicContact CB-CB 3.73Å; R139-L227 HydrophobicContact CG-CB 4.48Å; R139-W228 PolarHBondContact N-O 3.15Å
140Y98.1Very high97.1Very high1 Ų124.8 Ų24.80%0.00411%0.114CC..  trans-67.2131.7-178.4-58-74.7000112.5I66 L110 I138 W161 T253 L256I66-Y140 WeakPolarHBondContact CG1-OH 3.45Å; I66-Y140 VanDerWaalsContact O-CE2 3.24Å; I66-Y140 WeakPolarHBondContact O-CE2 3.32Å; I66-Y140 PolarHBondContact O-OH 2.59Å; L110-Y140 HydrophobicContact CD2-CD2 4.23Å; I138-Y140 HydrophobicContact CB-CD1 4.34Å; I138-Y140 HydrophobicContact CB-CD2 4.4Å; I138-Y140 HydrophobicContact CB-CE1 3.81Å; I138-Y140 HydrophobicContact CB-CE2 3.87Å; I138-Y140 HydrophobicContact CD1-CE1 4.16Å; I138-Y140 HydrophobicContact CG2-CD1 3.7Å; I138-Y140 HydrophobicContact CG2-CD2 4.4Å; I138-Y140 HydrophobicContact CG2-CE1 3.52Å; I138-Y140 HydrophobicContact CG2-CE2 4.26Å; I138-Y140 HydrophobicContact CG2-CG 4.15Å; I138-Y140 PolarHBondContact O-N 3.25Å; Y140-W161 PolarHBondContact O-NE1 2.67Å; Y140-T253 CarbonylContact C-O 3.51Å; Y140-T253 VanDerWaalsContact CA-O 3.25Å; Y140-T253 WeakPolarHBondContact CA-O 3.28Å; Y140-L256 HydrophobicContact CD1-CB 4.04Å; Y140-L256 HydrophobicContact CD2-CB 3.99Å; Y140-L256 HydrophobicContact CD2-CD1 4.49Å; Y140-L256 HydrophobicContact CE1-CB 3.98Å; Y140-L256 HydrophobicContact CE1-CD1 4.27Å; Y140-L256 HydrophobicContact CE2-CB 3.93Å; Y140-L256 HydrophobicContact CE2-CD1 3.63Å; Y140-L256 HydrophobicContact CE2-CG 4.25Å; Y140-L256 HydrophobicContact CG-CB 4.03Å; Y140-L256 VanDerWaalsContact CZ-CD1 3.48Å; Y140-L256 VanDerWaalsContact OH-CD1 3.31Å; Y140-L256 WeakPolarHBondContact OH-CD1 3.38Å
141E96.6Very high97.2Very high60 Ų6030.8 Ų30.828%0.2815%0.145SC..SBendtrans-70.7-39.9179.5-165.263.4-155.200112.4R139 L162 T253 S254R139-E141 IonicContact NH1-OE2 3.65Å; R139-E141 PolarHBondContact NH1-OE2 2.8Å; E141-L162 WeakPolarHBondContact OE1-CB 3.33Å; E141-L162 VanDerWaalsContact OE2-CD1 3.23Å; E141-L162 WeakPolarHBondContact OE2-CD1 3.45Å; E141-T253 PolarHBondContact N-O 2.96Å; E141-S254 PolarHBondContact N-O 2.9Å
142Y96.4Very high97.2Very high87 Ų8732.8 Ų32.834%0.34116%0.156SC..SBendtrans-122.87.8-173.2-55.7-63000114.4P158 D159 E160 S254Y142-P158 HydrophobicContact CD1-CB 3.64Å; Y142-P158 HydrophobicContact CE1-CB 4.27Å; Y142-P158 HydrophobicContact CG-CB 3.97Å; Y142-D159 WeakPolarHBondContact CA-O 3.39Å; Y142-D159 VanDerWaalsContact O-CB 3.3Å; Y142-D159 WeakPolarHBondContact O-CB 3.32Å; Y142-D159 PolarHBondContact O-N 3.17Å; Y142-E160 HydrophobicContact CD1-CG 4.22Å; Y142-E160 HydrophobicContact CE1-CG 4.15Å; Y142-S254 PolarHBondContact N-O 3.5Å
143G95.4Very high97.3Very high0 Ų036.9 Ų36.90%017%0.172CC..  trans54.9-139.8-176.600000113.5A109 V255 L256A109-G143 WeakPolarHBondContact O-CA 3.49Å; G143-V255 CarbonylContact O-C 3.56Å; G143-V255 VanDerWaalsContact O-CA 3.32Å; G143-V255 WeakPolarHBondContact O-CA 3.15Å; G143-V255 WeakPolarHBondContact O-CG1 3.31Å; G143-L256 PolarHBondContact O-N 3.1Å
144L94Very high97.3Very high20 Ų2037.4 Ų37.411%0.10517%0.174CC..SBendtrans-80.6-64173.5-179.470.8000110.6N112 L256N112-L144 HydrophobicContact CB-CD2 3.99Å; N112-L144 VanDerWaalsContact CG-CD2 3.44Å; L144-L256 VanDerWaalsContact CD1-O 3.23Å; L144-L256 WeakPolarHBondContact CD1-O 3.45Å
145F95.9Very high97.3Very high6 Ų639 Ų393%0.02618%0.184CC..  trans-177.9158168.557.3-96.3000109.5Q147 E156 L157 K572 A573 P575F145-Q147 HydrophobicContact CD2-CB 4.34Å; F145-Q147 HydrophobicContact CE2-CB 4Å; F145-Q147 HydrophobicContact CE2-CG 4.24Å; F145-E156 HydrophobicContact CB-CB 3.83Å; F145-E156 HydrophobicContact CB-CG 4.21Å; F145-E156 HydrophobicContact CD1-CB 4.23Å; F145-E156 HydrophobicContact CD1-CG 3.68Å; F145-E156 HydrophobicContact CD2-CB 4Å; F145-E156 HydrophobicContact CD2-CG 3.67Å; F145-E156 HydrophobicContact CE1-CG 3.94Å; F145-E156 HydrophobicContact CE2-CG 3.92Å; F145-E156 HydrophobicContact CG-CB 3.77Å; F145-E156 HydrophobicContact CG-CG 3.58Å; F145-E156 HydrophobicContact CZ-CG 4.06Å; F145-L157 CarbonylContact C-O 3.57Å; F145-L157 WeakPolarHBondContact CA-O 2.84Å; F145-L157 WeakPolarHBondContact CB-O 3.33Å; F145-K572 HydrophobicContact CE2-CB 4.22Å; F145-K572 HydrophobicContact CE2-CD 3.94Å; F145-K572 HydrophobicContact CE2-CG 4.15Å; F145-K572 HydrophobicContact CZ-CB 3.86Å; F145-K572 HydrophobicContact CZ-CD 4.16Å; F145-K572 HydrophobicContact CZ-CG 4.28Å; F145-K572 PolarHBondContact O-NZ 2.63Å; F145-A573 WeakPolarHBondContact CE1-O 3.37Å; F145-A573 WeakPolarHBondContact CZ-O 3.48Å; F145-P575 HydrophobicContact CD1-CG 3.9Å; F145-P575 HydrophobicContact CE1-CG 3.94Å
146K96.9Very high97.2Very high73 Ų7341.8 Ų41.832%0.31720%0.197SC..EExtended strand (participates in β ladder)trans-86117.4163.8179.2174.3-174.7171.30109.5L157 D159 N611K146-L157 HydrophobicContact CB-CB 4.27Å; K146-L157 PolarHBondContact N-O 3.23Å; K146-L157 PolarHBondContact O-N 2.83Å; K146-D159 HydrophobicContact CB-CB 4.13Å; K146-N611 WeakPolarHBondContact CA-OD1 3.06Å
147Q97.9Very high97.1Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-75.1138.9-179.4-163.3-172.434.800110.1F145 F149 Q154 A571 K572 E610 N611F145-Q147 HydrophobicContact CD2-CB 4.34Å; F145-Q147 HydrophobicContact CE2-CB 4Å; F145-Q147 HydrophobicContact CE2-CG 4.24Å; Q147-F149 HydrophobicContact CG-CE1 4.35Å; Q147-Q154 HydrophobicContact CG-CG 3.67Å; Q147-A571 PolarHBondContact NE2-O 3.44Å; Q147-A571 PolarHBondContact OE1-O 2.94Å; Q147-K572 HydrophobicContact CB-CG 4.39Å; Q147-E610 WeakPolarHBondContact O-CG 3.07Å; Q147-N611 HydrophobicContact CB-CB 4.07Å; Q147-N611 PolarHBondContact N-OD1 3.01Å
148R97.4Very high96.9Very high107 Ų10748.6 Ų48.640%0.40424%0.236SC..EExtended strand (participates in β ladder)trans-129.3154.1161.8-71.3-58.2-159.5170.73.7111.1V155 L157 E610R148-V155 PolarHBondContact N-O 3.42Å; R148-V155 PolarHBondContact O-N 2.95Å; R148-L157 HydrophobicContact CB-CD1 4.47Å; R148-L157 HydrophobicContact CG-CD1 3.54Å; R148-L157 HydrophobicContact CG-CG 4.25Å; R148-E610 VanDerWaalsContact CA-OE2 3.22Å; R148-E610 WeakPolarHBondContact CA-OE2 3.5Å; R148-E610 WeakPolarHBondContact CD-OE1 3.16Å; R148-E610 WeakPolarHBondContact CD-OE2 3.28Å; R148-E610 IonicContact CZ-OE1 3.8Å; R148-E610 IonicContact NE-OE1 3.2Å; R148-E610 IonicContact NH1-OE1 2.7Å; R148-E610 PolarHBondContact NH1-OE1 3.12Å
149F97.5Very high96.8Very high42 Ų4250 Ų5018%0.18424%0.244CC..EExtended strand (participates in β ladder)trans-102.2116.3165.3-61.3-43.9000110.5Q147 Y153 I584 N588 F608 E610Q147-F149 HydrophobicContact CG-CE1 4.35Å; F149-Y153 VanDerWaalsContact CA-O 3.26Å; F149-Y153 WeakPolarHBondContact CA-O 3.25Å; F149-I584 HydrophobicContact CD1-CG2 4.23Å; F149-I584 HydrophobicContact CE1-CG2 3.53Å; F149-I584 HydrophobicContact CZ-CG2 4.19Å; F149-N588 WeakPolarHBondContact CD1-ND2 3.21Å; F149-F608 HydrophobicContact CE2-CB 4.2Å; F149-F608 AromaticContact CE2-CD1 3.67Å; F149-F608 HydrophobicContact CE2-CD1 3.67Å; F149-F608 HydrophobicContact CE2-CE1 4.24Å; F149-F608 AromaticContact CE2-CG 4Å; F149-F608 HydrophobicContact CE2-CG 4Å; F149-F608 AromaticContact CZ-CD1 3.47Å; F149-F608 HydrophobicContact CZ-CD1 3.47Å; F149-F608 VanDerWaalsContact CZ-CD1 3.47Å; F149-F608 HydrophobicContact CZ-CD2 4.43Å; F149-F608 AromaticContact CZ-CE1 3.59Å; F149-F608 HydrophobicContact CZ-CE1 3.59Å; F149-F608 AromaticContact CZ-CG 3.93Å; F149-F608 HydrophobicContact CZ-CG 3.93Å; F149-F608 HydrophobicContact CZ-CZ 4.13Å; F149-E610 HydrophobicContact CD2-CB 3.98Å; F149-E610 HydrophobicContact CD2-CG 4.12Å; F149-E610 HydrophobicContact CE2-CB 3.93Å; F149-E610 HydrophobicContact CE2-CG 4.28Å; F149-E610 PolarHBondContact N-OE2 2.99Å
150V97.3Very high96.6Very high75 Ų7554.3 Ų54.346%0.45527%0.265SS..EExtended strand (participates in β ladder)trans-122.6123174-177.30000107N152 Y153 V155V150-N152 PolarHBondContact O-N 3.37Å; V150-N152 VanDerWaalsContact O-N 3.17Å; V150-Y153 PolarHBondContact N-O 3.18Å; V150-Y153 PolarHBondContact O-N 3.3Å; V150-V155 HydrophobicContact CB-CG2 3.82Å; V150-V155 HydrophobicContact CG2-CB 4.33Å; V150-V155 HydrophobicContact CG2-CG2 3.83Å
151D96.4Very high96.5Very high132 Ų13254.7 Ų54.771%0.70627%0.267SS*.THydrogen-bonded Turntrans49.141.2-172-55.9-43.2000112.1Y153 K585D151-Y153 HydrophobicContact CB-CD2 4.38Å; D151-Y153 WeakPolarHBondContact O-CD2 3.19Å; D151-Y153 PolarHBondContact O-N 3.34Å; D151-Y153 VanDerWaalsContact O-N 3.08Å; D151-K585 PolarHBondContact O-NZ 3.38Å
152N97.2Very high96.4Very high42 Ų4252.4 Ų52.423%0.22526%0.256CS..THydrogen-bonded Turntrans62.73.9-176.7-68.9-33.4000116.3V150 K585 N588 E589 S592V150-N152 PolarHBondContact O-N 3.37Å; V150-N152 VanDerWaalsContact O-N 3.17Å; N152-K585 HydrophobicContact CB-CD 3.84Å; N152-N588 HydrophobicContact CB-CB 3.63Å; N152-N588 PolarHBondContact O-ND2 3.16Å; N152-E589 HydrophobicContact CB-CG 4.33Å; N152-E589 WeakPolarHBondContact CB-OE1 3.48Å; N152-E589 PolarHBondContact ND2-OE1 3.43Å; N152-S592 PolarHBondContact ND2-OG 3.47Å
153Y98.1Very high96.1Very high86 Ų8655.3 Ų55.334%0.33727%0.273SS..EExtended strand (participates in β ladder)trans-88.6149.8170.8-68.5-83.4000112F149 V150 D151 V155 K585 E721F149-Y153 VanDerWaalsContact CA-O 3.26Å; F149-Y153 WeakPolarHBondContact CA-O 3.25Å; V150-Y153 PolarHBondContact N-O 3.18Å; V150-Y153 PolarHBondContact O-N 3.3Å; D151-Y153 HydrophobicContact CB-CD2 4.38Å; D151-Y153 WeakPolarHBondContact O-CD2 3.19Å; D151-Y153 PolarHBondContact O-N 3.34Å; D151-Y153 VanDerWaalsContact O-N 3.08Å; Y153-V155 PolarHBondContact O-N 3.04Å; Y153-K585 HydrophobicContact CD1-CB 3.99Å; Y153-K585 HydrophobicContact CD1-CD 4.01Å; Y153-K585 HydrophobicContact CD1-CG 4.02Å; Y153-K585 HydrophobicContact CD2-CD 4.02Å; Y153-K585 HydrophobicContact CE1-CB 3.98Å; Y153-K585 HydrophobicContact CE1-CD 3.82Å; Y153-K585 HydrophobicContact CE1-CG 3.61Å; Y153-K585 HydrophobicContact CE2-CD 3.84Å; Y153-K585 HydrophobicContact CE2-CG 4.49Å; Y153-K585 HydrophobicContact CG-CD 4.1Å; Y153-K585 VanDerWaalsContact CZ-CE 3.48Å; Y153-E721 HydrophobicContact CE1-CG 4.14Å; Y153-E721 WeakPolarHBondContact CE1-OE1 3.45Å; Y153-E721 PolarHBondContact OH-OE1 2.82Å; Y153-E721 PolarHBondContact OH-OE2 3.02Å
154Q98.3Very high95.8Very high11 Ų1162 Ų625%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-67.5128.6165.8-170.6178.8-84.200110.6Q147 E156 A573 K581 I584Q147-Q154 HydrophobicContact CG-CG 3.67Å; Q154-E156 WeakPolarHBondContact CG-OE1 3.47Å; Q154-E156 PolarHBondContact NE2-OE1 2.85Å; Q154-A573 PolarHBondContact NE2-O 3.22Å; Q154-K581 HydrophobicContact CB-CG 4.48Å; Q154-I584 HydrophobicContact CB-CD1 4.23Å; Q154-I584 HydrophobicContact CB-CG2 4.45Å; Q154-I584 VanDerWaalsContact OE1-CD1 3.22Å
155V97.3Very high95.7Very high51 Ų5162.9 Ų62.931%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-119.3136.3168.1177.40000109R148 V150 Y153 L157R148-V155 PolarHBondContact N-O 3.42Å; R148-V155 PolarHBondContact O-N 2.95Å; V150-V155 HydrophobicContact CB-CG2 3.82Å; V150-V155 HydrophobicContact CG2-CB 4.33Å; V150-V155 HydrophobicContact CG2-CG2 3.83Å; Y153-V155 PolarHBondContact O-N 3.04Å; V155-L157 HydrophobicContact CG1-CD2 4.24Å
156E96.4Very high95.6Very high60 Ų6063.7 Ų63.728%0.2832%0.321SS..EExtended strand (participates in β ladder)trans-97.5118.9178.4-61.578.5-144.700110.7F145 Q154 P575 K581F145-E156 HydrophobicContact CB-CB 3.83Å; F145-E156 HydrophobicContact CB-CG 4.21Å; F145-E156 HydrophobicContact CD1-CB 4.23Å; F145-E156 HydrophobicContact CD1-CG 3.68Å; F145-E156 HydrophobicContact CD2-CB 4Å; F145-E156 HydrophobicContact CD2-CG 3.67Å; F145-E156 HydrophobicContact CE1-CG 3.94Å; F145-E156 HydrophobicContact CE2-CG 3.92Å; F145-E156 HydrophobicContact CG-CB 3.77Å; F145-E156 HydrophobicContact CG-CG 3.58Å; F145-E156 HydrophobicContact CZ-CG 4.06Å; Q154-E156 WeakPolarHBondContact CG-OE1 3.47Å; Q154-E156 PolarHBondContact NE2-OE1 2.85Å; E156-P575 HydrophobicContact CG-CB 4.39Å; E156-P575 HydrophobicContact CG-CG 4.3Å; E156-K581 WeakPolarHBondContact OE1-CE 3.37Å; E156-K581 IonicContact OE1-NZ 3.01Å; E156-K581 PolarHBondContact OE1-NZ 2.62Å; E156-K581 IonicContact OE2-NZ 3.31Å; E156-K581 PolarHBondContact OE2-NZ 3.3Å
157L96.1Very high95.4Very high72 Ų7261.5 Ų61.538%0.37731%0.312SS..EExtended strand (participates in β ladder)trans-109.6155.5171-56.9-179.9000110.1F145 K146 R148 V155F145-L157 CarbonylContact C-O 3.57Å; F145-L157 WeakPolarHBondContact CA-O 2.84Å; F145-L157 WeakPolarHBondContact CB-O 3.33Å; K146-L157 HydrophobicContact CB-CB 4.27Å; K146-L157 PolarHBondContact N-O 3.23Å; K146-L157 PolarHBondContact O-N 2.83Å; R148-L157 HydrophobicContact CB-CD1 4.47Å; R148-L157 HydrophobicContact CG-CD1 3.54Å; R148-L157 HydrophobicContact CG-CG 4.25Å; V155-L157 HydrophobicContact CG1-CD2 4.24Å
158P95.4Very high95.4Very high74 Ų7461.6 Ų61.648%0.48131%0.313SS..  trans-59.3137.6169.1-22.133.5000111.6Y142 E160Y142-P158 HydrophobicContact CD1-CB 3.64Å; Y142-P158 HydrophobicContact CE1-CB 4.27Å; Y142-P158 HydrophobicContact CG-CB 3.97Å; P158-E160 HydrophobicContact CB-CG 4.31Å; P158-E160 PolarHBondContact O-N 3.22Å
159D95.3Very high95.3Very high32 Ų3257.8 Ų57.817%0.17130%0.299CS..  trans-9384.6176-157.7-5.2000110.3A109 Y142 K146 W161A109-D159 HydrophobicContact CB-CB 3.9Å; Y142-D159 WeakPolarHBondContact CA-O 3.39Å; Y142-D159 VanDerWaalsContact O-CB 3.3Å; Y142-D159 WeakPolarHBondContact O-CB 3.32Å; Y142-D159 PolarHBondContact O-N 3.17Å; K146-D159 HydrophobicContact CB-CB 4.13Å; D159-W161 PolarHBondContact O-N 2.83Å
160E94.1Very high95.3Very high109 Ų10958.7 Ų58.751%0.50931%0.308SS..  trans-74.349.1-170.4-55.5-178.3137.700114.3Y142 P158 L162 Q163Y142-E160 HydrophobicContact CD1-CG 4.22Å; Y142-E160 HydrophobicContact CE1-CG 4.15Å; P158-E160 HydrophobicContact CB-CG 4.31Å; P158-E160 PolarHBondContact O-N 3.22Å; E160-L162 PolarHBondContact O-N 2.74Å; E160-L162 VanDerWaalsContact O-N 3.13Å; E160-Q163 PolarHBondContact O-N 2.78Å
161W96.1Very high95.3Very high10 Ų1059.4 Ų59.44%0.03830%0.303CS..THydrogen-bonded Turntrans-62.9-20-175.874.3-72.5000114.1P106 M108 A109 L110 Y140 D159 N166P106-W161 HydrophobicContact CB-CB 4.18Å; P106-W161 HydrophobicContact CG-CB 4.41Å; P106-W161 WeakPolarHBondContact CG-O 3.43Å; M108-W161 HydrophobicContact CB-CD2 4.48Å; M108-W161 HydrophobicContact CB-CE3 3.93Å; M108-W161 HydrophobicContact CB-CH2 4.21Å; M108-W161 HydrophobicContact CB-CZ3 3.78Å; M108-W161 HydrophobicContact CG-CE3 3.96Å; M108-W161 HydrophobicContact CG-CH2 4.31Å; M108-W161 HydrophobicContact CG-CZ3 3.59Å; M108-W161 HydrophobicContact SD-CZ3 4.27Å; A109-W161 HydrophobicContact CB-CB 4.32Å; A109-W161 VanDerWaalsContact CB-CD1 3.42Å; A109-W161 HydrophobicContact CB-CG 3.88Å; L110-W161 HydrophobicContact CD1-CH2 4.16Å; L110-W161 HydrophobicContact CD1-CZ2 4.36Å; L110-W161 HydrophobicContact CD2-CH2 4.28Å; L110-W161 HydrophobicContact CD2-CZ2 3.69Å; L110-W161 HydrophobicContact CG-CH2 4.22Å; L110-W161 HydrophobicContact CG-CZ2 3.93Å; Y140-W161 PolarHBondContact O-NE1 2.67Å; D159-W161 PolarHBondContact O-N 2.83Å; W161-N166 HydrophobicContact CH2-CB 4.49Å; W161-N166 HydrophobicContact CZ3-CB 3.91Å
162L95.7Very high95.3Very high11 Ų1156.8 Ų56.86%0.05829%0.285CS..THydrogen-bonded Turntrans-96.30.9-178.4-71.1171.4000115E141 E160 K164 G165 N166E141-L162 WeakPolarHBondContact OE1-CB 3.33Å; E141-L162 VanDerWaalsContact OE2-CD1 3.23Å; E141-L162 WeakPolarHBondContact OE2-CD1 3.45Å; E160-L162 PolarHBondContact O-N 2.74Å; E160-L162 VanDerWaalsContact O-N 3.13Å; L162-K164 PolarHBondContact O-N 3.03Å; L162-G165 WeakPolarHBondContact O-CA 3.23Å; L162-G165 PolarHBondContact O-N 3.09Å; L162-N166 HydrophobicContact CD2-CB 3.7Å
163Q90.6Very high95.2Very high149 Ų14960.6 Ų60.670%0.69630%0.301SS*.THydrogen-bonded Turntrans-54.4-31.7-176.5-172.1-177.951.100113.6E160E160-Q163 PolarHBondContact O-N 2.78Å
164K87.9Confident95.1Very high139 Ų13961.4 Ų61.460%0.60432%0.32SS*.THydrogen-bonded Turntrans-105.114.3178-61.5179.9-178.4174.80113.1L162L162-K164 PolarHBondContact O-N 3.03Å
165G91Very high95Very high40 Ų4064.6 Ų64.641%0.41233%0.333SS..  trans70177.5-166.100000112.9L162L162-G165 WeakPolarHBondContact O-CA 3.23Å; L162-G165 PolarHBondContact O-N 3.09Å
166N94.5Very high95Very high22 Ų2263.2 Ų63.212%0.11833%0.328CS..  trans-120.1121.8175.1169.619000109M108 W161 L162 W168 E169M108-N166 WeakPolarHBondContact CE-OD1 3.5Å; W161-N166 HydrophobicContact CH2-CB 4.49Å; W161-N166 HydrophobicContact CZ3-CB 3.91Å; L162-N166 HydrophobicContact CD2-CB 3.7Å; N166-W168 VanDerWaalsContact C-N 3.28Å; N166-W168 PolarHBondContact O-N 2.89Å; N166-W168 VanDerWaalsContact OD1-CD1 3.3Å; N166-W168 PolarHBondContact OD1-N 3.35Å; N166-W168 VanDerWaalsContact OD1-N 3.12Å; N166-E169 HydrophobicContact CB-CG 3.88Å; N166-E169 PolarHBondContact ND2-OE2 3.12Å; N166-E169 WeakPolarHBondContact O-CG 3.34Å
167L93.6Very high95.1Very high27 Ų2761.1 Ų61.114%0.14132%0.319CS..THydrogen-bonded Turntrans-77.3-15.4-17477.185.5000113.8Y31 T39Y31-L167 HydrophobicContact CD1-CD2 4.12Å; Y31-L167 HydrophobicContact CD2-CD2 4.43Å; Y31-L167 HydrophobicContact CE1-CD2 3.39Å; Y31-L167 HydrophobicContact CE2-CD2 3.74Å; Y31-L167 WeakPolarHBondContact OH-CD2 3.44Å; T39-L167 HydrophobicContact CG2-CD1 3.87Å; T39-L167 WeakPolarHBondContact CG2-O 3.38Å
168W96.7Very high95.1Very high2 Ų260.9 Ų60.91%0.00832%0.318CS..THydrogen-bonded Turntrans-90.5-11.9-173.8-53.1108.6000113.5L38 T39 Y42 M73 L74 N77 E105 M108 N166 T212L38-W168 HydrophobicContact CB-CZ3 4.34Å; L38-W168 HydrophobicContact CD2-CH2 4.17Å; L38-W168 HydrophobicContact CD2-CZ3 4.38Å; T39-W168 HydrophobicContact CG2-CE3 3.8Å; T39-W168 HydrophobicContact CG2-CZ3 4.03Å; Y42-W168 HydrophobicContact CE1-CE3 4.32Å; Y42-W168 HydrophobicContact CE1-CZ3 4.25Å; M73-W168 HydrophobicContact CB-CD2 3.76Å; M73-W168 HydrophobicContact CB-CE3 4.45Å; M73-W168 HydrophobicContact CB-CG 3.93Å; M73-W168 HydrophobicContact CB-CZ2 4.06Å; M73-W168 HydrophobicContact CG-CG 4.25Å; L74-W168 VanDerWaalsContact CA-CZ2 3.43Å; L74-W168 HydrophobicContact CB-CH2 4.31Å; L74-W168 HydrophobicContact CB-CZ2 3.85Å; L74-W168 HydrophobicContact CD1-CH2 4.01Å; L74-W168 HydrophobicContact CD1-CZ2 4.24Å; N77-W168 HydrophobicContact CB-CH2 4.48Å; N77-W168 HydrophobicContact CB-CZ3 4.27Å; N77-W168 WeakPolarHBondContact ND2-CZ3 3.46Å; E105-W168 PolarHBondContact OE1-NE1 3.09Å; M108-W168 HydrophobicContact CE-CB 3.88Å; M108-W168 VanDerWaalsContact CE-CD1 3.46Å; M108-W168 HydrophobicContact CE-CG 3.96Å; N166-W168 VanDerWaalsContact C-N 3.28Å; N166-W168 PolarHBondContact O-N 2.89Å; N166-W168 VanDerWaalsContact OD1-CD1 3.3Å; N166-W168 PolarHBondContact OD1-N 3.35Å; N166-W168 VanDerWaalsContact OD1-N 3.12Å; W168-T212 HydrophobicContact CB-CG2 4.22Å
169E96.3Very high95.2Very high27 Ų2757.4 Ų57.413%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-100.7151.1-177.568.2-172.5-162.400112.8R139 N166 Y210 D211R139-E169 IonicContact CZ-OE1 3.68Å; R139-E169 VanDerWaalsContact CZ-OE1 3.31Å; R139-E169 IonicContact CZ-OE2 2.82Å; R139-E169 VanDerWaalsContact NE-CD 3.31Å; R139-E169 IonicContact NE-OE1 2.62Å; R139-E169 PolarHBondContact NE-OE1 3.44Å; R139-E169 IonicContact NE-OE2 3.23Å; R139-E169 PolarHBondContact NE-OE2 2.7Å; R139-E169 IonicContact NH2-OE1 3.41Å; R139-E169 PolarHBondContact NH2-OE1 2.96Å; R139-E169 IonicContact NH2-OE2 3.61Å; N166-E169 HydrophobicContact CB-CG 3.88Å; N166-E169 PolarHBondContact ND2-OE2 3.12Å; N166-E169 WeakPolarHBondContact O-CG 3.34Å; E169-Y210 HydrophobicContact CG-CD1 4.04Å; E169-Y210 WeakPolarHBondContact OE1-CD1 3.19Å; E169-D211 CarbonylContact C-O 3.56Å; E169-D211 WeakPolarHBondContact CA-O 3.26Å
170V96.6Very high95.3Very high61 Ų6162.4 Ų62.437%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-122115.6171.1-177.50000108.3W46 K172 D211W46-V170 HydrophobicContact CZ3-CG2 4.23Å; V170-K172 HydrophobicContact CG1-CD 4.08Å; V170-D211 PolarHBondContact N-O 3.06Å; V170-D211 PolarHBondContact O-N 3.48Å
171R97.5Very high95.3Very high91 Ų9157.4 Ų57.434%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-65.6131.8171.7-171.7177.4-177.4-90.8-3.8110.1E173 V208 Y210 E231R171-E173 IonicContact CZ-OE2 2.84Å; R171-E173 IonicContact NH1-OE2 3.88Å; R171-E173 PolarHBondContact NH1-OE2 3.07Å; R171-E173 IonicContact NH2-OE2 3.98Å; R171-V208 HydrophobicContact CG-CG1 3.93Å; R171-Y210 HydrophobicContact CB-CD1 4.02Å; R171-Y210 HydrophobicContact CB-CE1 3.76Å; R171-Y210 VanDerWaalsContact CD-OH 3.26Å; R171-Y210 WeakPolarHBondContact CD-OH 3.39Å; R171-Y210 HydrophobicContact CG-CD1 4.39Å; R171-Y210 HydrophobicContact CG-CE1 3.89Å; R171-Y210 HydrophobicContact CG-CE2 3.97Å; R171-Y210 PolarHBondContact NE-OH 2.6Å; R171-E231 IonicContact CZ-OE1 2.82Å; R171-E231 IonicContact NE-OE1 3.74Å; R171-E231 PolarHBondContact NE-OE1 2.88Å; R171-E231 IonicContact NH2-OE1 3.55Å; R171-E231 PolarHBondContact NH2-OE1 3.19Å; R171-E231 IonicContact NH2-OE2 3.61Å; R171-E231 PolarHBondContact NH2-OE2 3.01Å
172K96.5Very high95.3Very high77 Ų7757.9 Ų57.934%0.33530%0.297SS..  trans-124.465.8-176.8-64.8-64.1-173-177.80111.6V170 S174 K175 A176 P209 D211V170-K172 HydrophobicContact CG1-CD 4.08Å; K172-S174 PolarHBondContact O-N 2.8Å; K172-K175 HydrophobicContact CB-CB 4.13Å; K172-K175 HydrophobicContact CB-CG 4.17Å; K172-K175 WeakPolarHBondContact O-CA 3.28Å; K172-K175 WeakPolarHBondContact O-CB 3.21Å; K172-K175 PolarHBondContact O-N 2.8Å; K172-A176 PolarHBondContact O-N 3.46Å; K172-P209 HydrophobicContact CB-CB 4.46Å; K172-P209 HydrophobicContact CB-CG 3.94Å; K172-P209 PolarHBondContact N-O 3.03Å; K172-P209 WeakPolarHBondContact O-CD 3.38Å; K172-P209 WeakPolarHBondContact O-CG 3.37Å; K172-D211 WeakPolarHBondContact CG-OD2 3.37Å
173E95.2Very high95.2Very high121 Ų12158.5 Ų58.557%0.56531%0.305SS*.G310 helixtrans-52.5-40.4179.2-167179153.900113.6R171 K175 A176R171-E173 IonicContact CZ-OE2 2.84Å; R171-E173 IonicContact NH1-OE2 3.88Å; R171-E173 PolarHBondContact NH1-OE2 3.07Å; R171-E173 IonicContact NH2-OE2 3.98Å; E173-K175 PolarHBondContact O-N 2.84Å; E173-A176 WeakPolarHBondContact O-CB 2.92Å; E173-A176 PolarHBondContact O-N 2.89Å
174S95.8Very high95.5Very high103 Ų10356.9 Ų56.972%0.7230%0.301SS*.G310 helixtrans-64.7-5.4177.363.10000114.5K172K172-S174 PolarHBondContact O-N 2.8Å
175K96.5Very high95.9Very high78 Ų7851 Ų5134%0.33928%0.277SS..G310 helixtrans-116.89.9176.3-54.6-59.7175.2-167.10112.1K172 E173 P209 R286K172-K175 HydrophobicContact CB-CB 4.13Å; K172-K175 HydrophobicContact CB-CG 4.17Å; K172-K175 WeakPolarHBondContact O-CA 3.28Å; K172-K175 WeakPolarHBondContact O-CB 3.21Å; K172-K175 PolarHBondContact O-N 2.8Å; E173-K175 PolarHBondContact O-N 2.84Å; K175-P209 HydrophobicContact CB-CG 3.81Å; K175-R286 VanDerWaalsContact O-CZ 3.26Å; K175-R286 PolarHBondContact O-NH1 3.39Å; K175-R286 PolarHBondContact O-NH2 3.12Å
176A97.9Very high96.1Very high23 Ų2355.8 Ų55.819%0.1928%0.284CS..  trans-59.3154.1170.900000111.3K172 E173 R206 A207 V208 R286K172-A176 PolarHBondContact O-N 3.46Å; E173-A176 WeakPolarHBondContact O-CB 2.92Å; E173-A176 PolarHBondContact O-N 2.89Å; A176-R206 HydrophobicContact CB-CG 3.82Å; A176-A207 VanDerWaalsContact CA-O 3.23Å; A176-A207 WeakPolarHBondContact CA-O 3.28Å; A176-V208 HydrophobicContact CB-CG2 4.08Å; A176-R286 PolarHBondContact O-NH1 2.97Å
177V97.4Very high96.2Very high15 Ų1557.3 Ų57.39%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-136.7149.3174.5-63.50000108.6A207 W228 A279 Q282V177-A207 HydrophobicContact CG2-CB 4.06Å; V177-A207 PolarHBondContact N-O 3.43Å; V177-A207 VanDerWaalsContact N-O 3.14Å; V177-A207 PolarHBondContact O-N 3.37Å; V177-W228 HydrophobicContact CG2-CZ3 4.39Å; V177-A279 HydrophobicContact CG2-CB 3.94Å; V177-Q282 HydrophobicContact CB-CB 4.4Å; V177-Q282 HydrophobicContact CG1-CB 4.16Å; V177-Q282 HydrophobicContact CG2-CB 4.37Å
178D97Very high96.2Very high68 Ų6857.7 Ų57.736%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-91.7140.4176.7-65.7-21.9000109.4V204 V205 R206 Q282D178-V204 HydrophobicContact CB-CG1 3.76Å; D178-V205 CarbonylContact C-O 3.5Å; D178-V205 WeakPolarHBondContact CA-O 3.2Å; D178-R206 IonicContact OD1-CZ 2.95Å; D178-R206 IonicContact OD1-NE 3.6Å; D178-R206 PolarHBondContact OD1-NE 2.81Å; D178-R206 IonicContact OD1-NH2 3.21Å; D178-R206 PolarHBondContact OD1-NH2 3.41Å; D178-R206 IonicContact OD2-NH2 3.5Å; D178-Q282 PolarHBondContact O-NE2 2.96Å
179V97.5Very high96.1Very high1 Ų163.8 Ų63.81%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-122.6129.8179.6-177.40000108.5I181 V204 V205 A207 Y274 F275 A279V179-I181 HydrophobicContact CG1-CG1 4.19Å; V179-V204 WeakPolarHBondContact O-CA 3.45Å; V179-V205 HydrophobicContact CB-CG2 4.11Å; V179-V205 PolarHBondContact N-O 3.47Å; V179-V205 PolarHBondContact O-N 2.8Å; V179-A207 HydrophobicContact CG2-CB 4.22Å; V179-Y274 HydrophobicContact CG1-CD1 4.38Å; V179-Y274 HydrophobicContact CG1-CE1 4.12Å; V179-F275 HydrophobicContact CB-CD2 4.43Å; V179-F275 HydrophobicContact CG2-CD2 4.33Å; V179-A279 HydrophobicContact CG2-CB 4.36Å
180R96.1Very high95.8Very high137 Ų13764.8 Ų64.852%0.51733%0.331SS..EExtended strand (participates in β ladder)trans-94121.8179-66.3178.5177.4-97.7-2.7109.8M203 V204 Y274R180-M203 CarbonylContact C-O 3.59Å; R180-M203 WeakPolarHBondContact CA-O 3.48Å; R180-V204 HydrophobicContact CG-CG2 4.25Å; R180-Y274 VanDerWaalsContact O-CE1 3.32Å; R180-Y274 WeakPolarHBondContact O-CE1 3.36Å
181I95.7Very high95.5Very high4 Ų470.6 Ų70.62%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-121129.4177.5-54.3176000109.4V179 G202 M203 V205 L252 Y274 F275 V364V179-I181 HydrophobicContact CG1-CG1 4.19Å; I181-G202 WeakPolarHBondContact O-CA 3.46Å; I181-M203 HydrophobicContact CB-CE 3.77Å; I181-M203 HydrophobicContact CB-CG 3.82Å; I181-M203 HydrophobicContact CB-SD 4.46Å; I181-M203 HydrophobicContact CD1-CE 4.38Å; I181-M203 HydrophobicContact CG2-CE 3.57Å; I181-M203 PolarHBondContact N-O 3.47Å; I181-M203 VanDerWaalsContact O-CG 3.29Å; I181-M203 WeakPolarHBondContact O-CG 3.28Å; I181-M203 PolarHBondContact O-N 2.74Å; I181-V205 HydrophobicContact CD1-CG2 3.97Å; I181-V205 HydrophobicContact CG1-CG2 4.5Å; I181-L252 HydrophobicContact CD1-CD1 3.9Å; I181-Y274 HydrophobicContact CG1-CD1 4.45Å; I181-F275 HydrophobicContact CD1-CB 4.46Å; I181-V364 HydrophobicContact CG2-CG1 4.03Å
182G95.4Very high95Very high20 Ų2070.1 Ų70.121%0.20638%0.375CS..SBendtrans70.7-156.9-176.900000114.3S363 V364G182-S363 WeakPolarHBondContact CA-O 3.38Å; G182-V364 PolarHBondContact N-O 2.69Å
183G94.6Very high94.6Very high23 Ų2368.6 Ų68.624%0.23738%0.381CS..SBendtrans79.2-166-17200000112.8S200 G202 P366G183-S200 WeakPolarHBondContact CA-O 3.48Å; G183-G202 VanDerWaalsContact CA-N 3.26Å; G183-G202 VanDerWaalsContact N-CA 3.3Å; G183-P366 WeakPolarHBondContact O-CG 3.4Å
184D96Very high94.2Very high115 Ų11567.1 Ų67.162%0.61538%0.377SS*.EExtended strand (participates in β ladder)trans-121.1153.1179.2-62.4-68.4000110Y199 S200D184-Y199 WeakPolarHBondContact O-CA 3.48Å; D184-S200 PolarHBondContact N-O 3.35Å; D184-S200 PolarHBondContact O-N 3.02Å
185V96.5Very high93.9Very high17 Ų1766.9 Ų66.910%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-138132.6173.671.70000110.7P197 N198 Y199 P366 R367 Q370V185-P197 HydrophobicContact CG2-CB 3.79Å; V185-N198 WeakPolarHBondContact CA-O 3.48Å; V185-Y199 HydrophobicContact CB-CD1 4.08Å; V185-Y199 HydrophobicContact CB-CE1 4.24Å; V185-Y199 HydrophobicContact CG2-CD1 3.81Å; V185-Y199 HydrophobicContact CG2-CE1 3.75Å; V185-Y199 HydrophobicContact CG2-CG 4.33Å; V185-P366 HydrophobicContact CG1-CB 3.84Å; V185-P366 HydrophobicContact CG1-CG 4.29Å; V185-R367 HydrophobicContact CG1-CB 4.06Å; V185-R367 HydrophobicContact CG2-CB 4.42Å; V185-Q370 HydrophobicContact CG1-CG 4.49Å; V185-Q370 PolarHBondContact O-NE2 2.89Å; V185-Q370 VanDerWaalsContact O-NE2 3.15Å
186Y95.5Very high93.8Very high139 Ų13965.2 Ų65.255%0.54536%0.362SS..EExtended strand (participates in β ladder)trans-127.6147.7170.367.9-89.4000110.2N198Y186-N198 HydrophobicContact CD1-CB 4Å; Y186-N198 HydrophobicContact CD2-CB 4.02Å; Y186-N198 HydrophobicContact CE1-CB 3.54Å; Y186-N198 HydrophobicContact CE2-CB 3.54Å; Y186-N198 WeakPolarHBondContact CE2-ND2 3.27Å; Y186-N198 HydrophobicContact CG-CB 4.22Å; Y186-N198 PolarHBondContact N-O 3.06Å; Y186-N198 VanDerWaalsContact N-O 3.08Å; Y186-N198 PolarHBondContact O-N 2.88Å; Y186-N198 PolarHBondContact O-ND2 3.23Å
187M95.3Very high93.7Very high54 Ų5465.2 Ų65.227%0.26636%0.36SS..EExtended strand (participates in β ladder)trans-90.3135.4179.1-54.6-55.4-67.700109.9L195 I196 P197 R367M187-L195 HydrophobicContact CB-CD2 4.25Å; M187-L195 HydrophobicContact CE-CB 3.95Å; M187-I196 WeakPolarHBondContact CA-O 3.39Å; M187-P197 HydrophobicContact CE-CB 4.24Å; M187-P197 HydrophobicContact SD-CB 3.9Å; M187-R367 VanDerWaalsContact SD-CZ 3.59Å; M187-R367 PolarHBondContact SD-NH1 3.29Å; M187-R367 VanDerWaalsContact SD-NH1 3.36Å
188S95Very high93.6Very high36 Ų3666.5 Ų66.525%0.25237%0.366SS..EExtended strand (participates in β ladder)trans-125.9171.1167.371.50000110L195 I196 N198S188-L195 CarbonylContact O-C 3.55Å; S188-L195 VanDerWaalsContact O-CA 3.31Å; S188-L195 WeakPolarHBondContact O-CA 3.47Å; S188-I196 PolarHBondContact N-O 3.09Å; S188-I196 WeakPolarHBondContact O-CG1 3.26Å; S188-I196 PolarHBondContact O-N 3.22Å; S188-I196 WeakPolarHBondContact OG-CG1 3.22Å; S188-N198 VanDerWaalsContact CB-ND2 3.29Å; S188-N198 WeakPolarHBondContact CB-ND2 3.44Å; S188-N198 PolarHBondContact N-ND2 2.99Å; S188-N198 PolarHBondContact OG-ND2 3.33Å
189H93.2Very high93.5Very high130 Ų13067 Ų6760%0.60236%0.364SS*.EExtended strand (participates in β ladder)trans-90.6142.7171.6-62.883.7000109.9G193 N194 L195H189-G193 PolarHBondContact CD2-O 3.02Å; H189-N194 CarbonylContact C-O 2.92Å; H189-N194 VanDerWaalsContact CA-O 3.28Å; H189-N194 WeakPolarHBondContact CA-O 3.49Å; H189-L195 WeakPolarHBondContact NE2-CD2 3.26Å
190D90.1Very high93.3Very high48 Ų4869.6 Ų69.626%0.25738%0.382SS..  trans-79.5178.5161.870.712.1000111.1A192 G193 N194 I196D190-A192 PolarHBondContact O-N 3Å; D190-A192 VanDerWaalsContact O-N 3.13Å; D190-A192 WeakPolarHBondContact OD1-CA 3.47Å; D190-A192 WeakPolarHBondContact OD1-CB 3.35Å; D190-A192 PolarHBondContact OD1-N 3.48Å; D190-G193 PolarHBondContact O-N 3.37Å; D190-G193 PolarHBondContact OD1-N 3.34Å; D190-N194 PolarHBondContact N-O 3.12Å; D190-N194 PolarHBondContact OD1-N 3.07Å; D190-N194 PolarHBondContact OD1-ND2 3.26Å; D190-N194 PolarHBondContact OD2-ND2 2.77Å; D190-I196 HydrophobicContact CB-CD1 4.19Å; D190-I196 HydrophobicContact CB-CG2 3.96Å
191D90Very high93.1Very high183 Ų18366.2 Ų66.298%0.97939%0.389SS*.THydrogen-bonded Turntrans-61.7-20.1-179.8-65.9-24.9000113.6
192A87.3Confident92.9Very high81 Ų8167.6 Ų67.667%0.66941%0.405SS*.THydrogen-bonded Turntrans-93.2-1.6177.300000112.9D190D190-A192 PolarHBondContact O-N 3Å; D190-A192 VanDerWaalsContact O-N 3.13Å; D190-A192 WeakPolarHBondContact OD1-CA 3.47Å; D190-A192 WeakPolarHBondContact OD1-CB 3.35Å; D190-A192 PolarHBondContact OD1-N 3.48Å
193G88.1Confident92.7Very high45 Ų4569.5 Ų69.546%0.46441%0.409SS..SBendtrans81.914.3-178.200000114.2H189 D190H189-G193 PolarHBondContact CD2-O 3.02Å; D190-G193 PolarHBondContact O-N 3.37Å; D190-G193 PolarHBondContact OD1-N 3.34Å
194N86.7Confident92.6Very high89 Ų8969.4 Ų69.448%0.47640%0.403SS..  trans-83.4143172.7-52-63.7000110.2H189 D190 I196H189-N194 CarbonylContact C-O 2.92Å; H189-N194 VanDerWaalsContact CA-O 3.28Å; H189-N194 WeakPolarHBondContact CA-O 3.49Å; D190-N194 PolarHBondContact N-O 3.12Å; D190-N194 PolarHBondContact OD1-N 3.07Å; D190-N194 PolarHBondContact OD1-ND2 3.26Å; D190-N194 PolarHBondContact OD2-ND2 2.77Å; N194-I196 PolarHBondContact O-N 2.9Å
195L91.1Very high92.6Very high98 Ų9863.9 Ų63.951%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-70.7125.8172.5-69.4173.7000110.3M187 S188 H189M187-L195 HydrophobicContact CB-CD2 4.25Å; M187-L195 HydrophobicContact CE-CB 3.95Å; S188-L195 CarbonylContact O-C 3.55Å; S188-L195 VanDerWaalsContact O-CA 3.31Å; S188-L195 WeakPolarHBondContact O-CA 3.47Å; H189-L195 WeakPolarHBondContact NE2-CD2 3.26Å
196I94.1Very high92.7Very high43 Ų4365.3 Ų65.322%0.22138%0.378CS..EExtended strand (participates in β ladder)trans-119.8139.4175.659.7167.5000110.2M187 S188 D190 N194M187-I196 WeakPolarHBondContact CA-O 3.39Å; S188-I196 PolarHBondContact N-O 3.09Å; S188-I196 WeakPolarHBondContact O-CG1 3.26Å; S188-I196 PolarHBondContact O-N 3.22Å; S188-I196 WeakPolarHBondContact OG-CG1 3.22Å; D190-I196 HydrophobicContact CB-CD1 4.19Å; D190-I196 HydrophobicContact CB-CG2 3.96Å; N194-I196 PolarHBondContact O-N 2.9Å
197P95.2Very high92.8Very high23 Ų2358.7 Ų58.715%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-78.2134.7175.532.7-36.2000111V185 M187 Y199 D324V185-P197 HydrophobicContact CG2-CB 3.79Å; M187-P197 HydrophobicContact CE-CB 4.24Å; M187-P197 HydrophobicContact SD-CB 3.9Å; P197-Y199 HydrophobicContact CB-CD2 4.39Å; P197-Y199 HydrophobicContact CB-CE2 3.65Å; P197-Y199 HydrophobicContact CG-CE2 3.64Å; P197-D324 HydrophobicContact CG-CB 3.98Å
198N95.9Very high93Very high43 Ų4356.1 Ų56.123%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-111116169.6-59.8-87.3000108.3V185 Y186 S188V185-N198 WeakPolarHBondContact CA-O 3.48Å; Y186-N198 HydrophobicContact CD1-CB 4Å; Y186-N198 HydrophobicContact CD2-CB 4.02Å; Y186-N198 HydrophobicContact CE1-CB 3.54Å; Y186-N198 HydrophobicContact CE2-CB 3.54Å; Y186-N198 WeakPolarHBondContact CE2-ND2 3.27Å; Y186-N198 HydrophobicContact CG-CB 4.22Å; Y186-N198 PolarHBondContact N-O 3.06Å; Y186-N198 VanDerWaalsContact N-O 3.08Å; Y186-N198 PolarHBondContact O-N 2.88Å; Y186-N198 PolarHBondContact O-ND2 3.23Å; S188-N198 VanDerWaalsContact CB-ND2 3.29Å; S188-N198 WeakPolarHBondContact CB-ND2 3.44Å; S188-N198 PolarHBondContact N-ND2 2.99Å; S188-N198 PolarHBondContact OG-ND2 3.33Å
199Y94.8Very high93.1Very high79 Ų7954.4 Ų54.431%0.3133%0.327SS..EExtended strand (participates in β ladder)trans-95.7137.3-178.7-60.7-88000110.5D184 V185 P197 R367D184-Y199 WeakPolarHBondContact O-CA 3.48Å; V185-Y199 HydrophobicContact CB-CD1 4.08Å; V185-Y199 HydrophobicContact CB-CE1 4.24Å; V185-Y199 HydrophobicContact CG2-CD1 3.81Å; V185-Y199 HydrophobicContact CG2-CE1 3.75Å; V185-Y199 HydrophobicContact CG2-CG 4.33Å; P197-Y199 HydrophobicContact CB-CD2 4.39Å; P197-Y199 HydrophobicContact CB-CE2 3.65Å; P197-Y199 HydrophobicContact CG-CE2 3.64Å; Y199-R367 HydrophobicContact CE1-CB 3.93Å; Y199-R367 HydrophobicContact CE1-CG 4.44Å; Y199-R367 WeakPolarHBondContact OH-CG 3.34Å
200S93.7Very high93.4Very high55 Ų5549.8 Ų49.839%0.38530%0.304SS..EExtended strand (participates in β ladder)trans-138.2137.317356.80000111.4G183 D184G183-S200 WeakPolarHBondContact CA-O 3.48Å; D184-S200 PolarHBondContact N-O 3.35Å; D184-S200 PolarHBondContact O-N 3.02Å
201G91.1Very high93.8Very high65 Ų6547.9 Ų47.967%0.6729%0.294SS*.SBendtrans70.9-159.2-176.900000113.2
202G91Very high94.2Very high34 Ų3439.1 Ų39.135%0.35125%0.248SC..SBendtrans74.6-179.9-175.100000113.5I181 G183 R239I181-G202 WeakPolarHBondContact O-CA 3.46Å; G183-G202 VanDerWaalsContact CA-N 3.26Å; G183-G202 VanDerWaalsContact N-CA 3.3Å; G202-R239 PolarHBondContact O-NH1 2.85Å
203M91.1Very high94.6Very high59 Ų5935.3 Ų35.329%0.29122%0.216SC..EExtended strand (participates in β ladder)trans-107.4147.3173.555.5179.4155.900111.2R180 I181 V205 Y240R180-M203 CarbonylContact C-O 3.59Å; R180-M203 WeakPolarHBondContact CA-O 3.48Å; I181-M203 HydrophobicContact CB-CE 3.77Å; I181-M203 HydrophobicContact CB-CG 3.82Å; I181-M203 HydrophobicContact CB-SD 4.46Å; I181-M203 HydrophobicContact CD1-CE 4.38Å; I181-M203 HydrophobicContact CG2-CE 3.57Å; I181-M203 PolarHBondContact N-O 3.47Å; I181-M203 VanDerWaalsContact O-CG 3.29Å; I181-M203 WeakPolarHBondContact O-CG 3.28Å; I181-M203 PolarHBondContact O-N 2.74Å; M203-V205 HydrophobicContact CG-CG1 4.41Å; M203-V205 HydrophobicContact SD-CG1 4.09Å; M203-Y240 VanDerWaalsContact CB-OH 3.22Å; M203-Y240 WeakPolarHBondContact CB-OH 3.19Å
204V94.3Very high95.1Very high21 Ų2133.7 Ų33.713%0.12720%0.196CC..EExtended strand (participates in β ladder)trans-109123.5164.8-174.10000107.3D178 V179 R180 P233 E236D178-V204 HydrophobicContact CB-CG1 3.76Å; V179-V204 WeakPolarHBondContact O-CA 3.45Å; R180-V204 HydrophobicContact CG-CG2 4.25Å; V204-P233 HydrophobicContact CG1-CG 4.27Å; V204-P233 WeakPolarHBondContact O-CD 3.27Å; V204-E236 HydrophobicContact CB-CG 4.05Å
205V95.8Very high95.6Very high0 Ų029.9 Ų29.90%018%0.176CC..EExtended strand (participates in β ladder)trans-118.1148.8176.2-610000109.4D178 V179 I181 M203 V230 V249 F275D178-V205 CarbonylContact C-O 3.5Å; D178-V205 WeakPolarHBondContact CA-O 3.2Å; V179-V205 HydrophobicContact CB-CG2 4.11Å; V179-V205 PolarHBondContact N-O 3.47Å; V179-V205 PolarHBondContact O-N 2.8Å; I181-V205 HydrophobicContact CD1-CG2 3.97Å; I181-V205 HydrophobicContact CG1-CG2 4.5Å; M203-V205 HydrophobicContact CG-CG1 4.41Å; M203-V205 HydrophobicContact SD-CG1 4.09Å; V205-V230 HydrophobicContact CB-CG2 3.79Å; V205-V230 HydrophobicContact CG1-CG2 4.28Å; V205-V230 HydrophobicContact CG2-CG2 4.11Å; V205-V249 HydrophobicContact CB-CG1 4.47Å; V205-V249 HydrophobicContact CG1-CG1 3.75Å; V205-F275 HydrophobicContact CG2-CD2 3.93Å; V205-F275 HydrophobicContact CG2-CE2 4.14Å
206R97.4Very high95.9Very high47 Ų4725.2 Ų25.218%0.17715%0.152CC..EExtended strand (participates in β ladder)trans-97.5121.4179.3-174159.4-70.8162.95.5109.8A176 D178 V208 V230 E231 P233 E235A176-R206 HydrophobicContact CB-CG 3.82Å; D178-R206 IonicContact OD1-CZ 2.95Å; D178-R206 IonicContact OD1-NE 3.6Å; D178-R206 PolarHBondContact OD1-NE 2.81Å; D178-R206 IonicContact OD1-NH2 3.21Å; D178-R206 PolarHBondContact OD1-NH2 3.41Å; D178-R206 IonicContact OD2-NH2 3.5Å; R206-V208 HydrophobicContact CG-CG2 4Å; R206-V230 CarbonylContact O-C 3.55Å; R206-E231 HydrophobicContact CB-CB 4.38Å; R206-E231 PolarHBondContact N-O 3.43Å; R206-E231 PolarHBondContact O-N 2.86Å; R206-P233 HydrophobicContact CB-CG 4.06Å; R206-E235 IonicContact NH2-OE2 3.34Å; R206-E235 PolarHBondContact NH2-OE2 3.43Å
207A98.5Very high96Very high0 Ų024.1 Ų24.10%015%0.145CC..EExtended strand (participates in β ladder)trans-89.7108.2171.700000109.6A176 V177 V179 W228 F275 A279A176-A207 VanDerWaalsContact CA-O 3.23Å; A176-A207 WeakPolarHBondContact CA-O 3.28Å; V177-A207 HydrophobicContact CG2-CB 4.06Å; V177-A207 PolarHBondContact N-O 3.43Å; V177-A207 VanDerWaalsContact N-O 3.14Å; V177-A207 PolarHBondContact O-N 3.37Å; V179-A207 HydrophobicContact CG2-CB 4.22Å; A207-W228 HydrophobicContact CB-CD2 4.43Å; A207-W228 HydrophobicContact CB-CE3 3.82Å; A207-W228 HydrophobicContact CB-CZ3 4.35Å; A207-F275 HydrophobicContact CB-CD2 4.41Å; A207-F275 HydrophobicContact CB-CE2 3.5Å; A207-F275 HydrophobicContact CB-CZ 3.62Å; A207-A279 HydrophobicContact CB-CB 3.42Å; A207-A279 VanDerWaalsContact CB-CB 3.42Å
208V98.4Very high96Very high0 Ų027.3 Ų27.30%016%0.158CC..EExtended strand (participates in β ladder)trans-96.6123.6178.4-178.30000110R171 A176 R206 Y210 S229 E231R171-V208 HydrophobicContact CG-CG1 3.93Å; A176-V208 HydrophobicContact CB-CG2 4.08Å; R206-V208 HydrophobicContact CG-CG2 4Å; V208-Y210 HydrophobicContact CB-CE2 4.39Å; V208-Y210 HydrophobicContact CG1-CD2 4.5Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; V208-S229 PolarHBondContact N-O 3.02Å; V208-S229 PolarHBondContact O-N 2.99Å; V208-E231 HydrophobicContact CG2-CB 4.28Å; V208-E231 VanDerWaalsContact CG2-CD 3.43Å; V208-E231 HydrophobicContact CG2-CG 3.97Å
209P98.4Very high96Very high0 Ų027.8 Ų27.80%016%0.161CC..EExtended strand (participates in β ladder)trans-80136.1179.820.3-17.7000112.3K172 K175 R226 W228K172-P209 HydrophobicContact CB-CB 4.46Å; K172-P209 HydrophobicContact CB-CG 3.94Å; K172-P209 PolarHBondContact N-O 3.03Å; K172-P209 WeakPolarHBondContact O-CD 3.38Å; K172-P209 WeakPolarHBondContact O-CG 3.37Å; K175-P209 HydrophobicContact CB-CG 3.81Å; P209-R226 HydrophobicContact CB-CG 3.9Å; P209-W228 HydrophobicContact CB-CE3 3.89Å; P209-W228 HydrophobicContact CB-CH2 4.05Å; P209-W228 HydrophobicContact CB-CZ3 3.56Å; P209-W228 HydrophobicContact CG-CE3 4.31Å; P209-W228 HydrophobicContact CG-CH2 4.22Å; P209-W228 HydrophobicContact CG-CZ3 3.63Å
210Y98.4Very high95.9Very high32 Ų3225.9 Ų25.913%0.12517%0.165CC..EExtended strand (participates in β ladder)trans-116.3105.8168.1-74.2-106.7000107.6E169 R171 V208 L227E169-Y210 HydrophobicContact CG-CD1 4.04Å; E169-Y210 WeakPolarHBondContact OE1-CD1 3.19Å; R171-Y210 HydrophobicContact CB-CD1 4.02Å; R171-Y210 HydrophobicContact CB-CE1 3.76Å; R171-Y210 VanDerWaalsContact CD-OH 3.26Å; R171-Y210 WeakPolarHBondContact CD-OH 3.39Å; R171-Y210 HydrophobicContact CG-CD1 4.39Å; R171-Y210 HydrophobicContact CG-CE1 3.89Å; R171-Y210 HydrophobicContact CG-CE2 3.97Å; R171-Y210 PolarHBondContact NE-OH 2.6Å; V208-Y210 HydrophobicContact CB-CE2 4.39Å; V208-Y210 HydrophobicContact CG1-CD2 4.5Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; Y210-L227 PolarHBondContact N-O 3.37Å; Y210-L227 PolarHBondContact O-N 3.28Å
211D98.2Very high96Very high8 Ų823.6 Ų23.64%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-88.1125.8-176-71-20.6000109.8W46 E169 V170 K172 T224 R226W46-D211 HydrophobicContact CH2-CB 3.64Å; W46-D211 WeakPolarHBondContact CH2-O 3.3Å; W46-D211 HydrophobicContact CZ2-CB 3.82Å; E169-D211 CarbonylContact C-O 3.56Å; E169-D211 WeakPolarHBondContact CA-O 3.26Å; V170-D211 PolarHBondContact N-O 3.06Å; V170-D211 PolarHBondContact O-N 3.48Å; K172-D211 WeakPolarHBondContact CG-OD2 3.37Å; D211-T224 HydrophobicContact CB-CG2 3.92Å; D211-R226 IonicContact OD1-CZ 2.74Å; D211-R226 IonicContact OD1-NE 3.84Å; D211-R226 PolarHBondContact OD1-NE 3.48Å; D211-R226 IonicContact OD1-NH2 2.91Å; D211-R226 PolarHBondContact OD1-NH2 3.49Å; D211-R226 VanDerWaalsContact OD1-NH2 3.14Å; D211-R226 IonicContact OD2-CZ 3.31Å; D211-R226 IonicContact OD2-NE 3.02Å; D211-R226 IonicContact OD2-NH2 3.87Å; D211-R226 PolarHBondContact OD2-NH2 2.97Å
212T97.8Very high96.3Very high0 Ų020.6 Ų20.60%012%0.117CC..EExtended strand (participates in β ladder)trans-104.9128.9170.4-59.10000109.8M73 W168 M214 M225M73-T212 HydrophobicContact CE-CG2 4.34Å; W168-T212 HydrophobicContact CB-CG2 4.22Å; T212-M214 PolarHBondContact O-N 3.5Å; T212-M225 HydrophobicContact CG2-CE 3.97Å; T212-M225 PolarHBondContact N-O 3Å; T212-M225 PolarHBondContact O-N 3.26Å
213G97.2Very high96.6Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-76120.8178.600000112
214M98Very high96.9Very high11 Ų1117.2 Ų17.25%0.0549%0.093CC..EExtended strand (participates in β ladder)trans-95.797175.4-58.8-52.9-54.300109.2M73 M123 A127 T212 V222 N223 M225M73-M214 HydrophobicContact CE-CE 4.32Å; M73-M214 HydrophobicContact CE-SD 4.26Å; M123-M214 HydrophobicContact CB-CE 3.82Å; M123-M214 HydrophobicContact CB-CG 4.19Å; M123-M214 HydrophobicContact CB-SD 4.46Å; M123-M214 HydrophobicContact CE-CB 4.48Å; M123-M214 HydrophobicContact CE-CG 3.85Å; A127-M214 HydrophobicContact CB-CB 4.38Å; A127-M214 VanDerWaalsContact CB-O 3.29Å; A127-M214 WeakPolarHBondContact CB-O 3.45Å; T212-M214 PolarHBondContact O-N 3.5Å; M214-V222 WeakPolarHBondContact O-CA 3.48Å; M214-N223 HydrophobicContact CB-CB 4.34Å; M214-N223 PolarHBondContact N-O 3.22Å; M214-N223 PolarHBondContact O-N 3.21Å; M214-M225 HydrophobicContact CG-CB 3.88Å; M214-M225 HydrophobicContact SD-CB 3.91Å; M214-M225 HydrophobicContact SD-CE 4.32Å; M214-M225 HydrophobicContact SD-SD 4.45Å
215V97.8Very high97.1Very high9 Ų916.2 Ų16.26%0.0559%0.087CC..EExtended strand (participates in β ladder)trans-77.1122-174.6-174.20000110.4Y42 N80 M81 V222Y42-V215 HydrophobicContact CD1-CG2 3.99Å; Y42-V215 HydrophobicContact CD2-CG2 4.31Å; Y42-V215 HydrophobicContact CE1-CG2 4.33Å; Y42-V215 HydrophobicContact CG-CG2 4Å; N80-V215 HydrophobicContact CB-CB 4.24Å; N80-V215 HydrophobicContact CB-CG1 3.93Å; N80-V215 PolarHBondContact ND2-O 3.2Å; M81-V215 HydrophobicContact CG-CG1 4.01Å; V215-V222 HydrophobicContact CG2-CG1 4.39Å; V215-V222 HydrophobicContact CG2-CG2 4.42Å
216G97.1Very high97.3Very high1 Ų118.3 Ų18.31%0.0110%0.095CC..  trans-72.6147.5175.300000112.9A127 Q218 I221A127-G216 VanDerWaalsContact C-CA 3.46Å; A127-G216 WeakPolarHBondContact O-CA 3.29Å; G216-Q218 PolarHBondContact O-N 2.87Å; G216-I221 PolarHBondContact N-O 2.91Å
217Y97Very high97.3Very high20 Ų2016.1 Ų16.18%0.0789%0.087CC..THydrogen-bonded Turntrans-67.4101.5-179-175.2-109000112.4L79 S128 N219 R453 Q457 R476 K477L79-Y217 HydrophobicContact CD1-CE2 4.01Å; L79-Y217 HydrophobicContact CG-CD2 4.31Å; L79-Y217 HydrophobicContact CG-CE2 3.91Å; S128-Y217 WeakPolarHBondContact OG-CB 3.33Å; S128-Y217 PolarHBondContact OG-N 3.48Å; Y217-N219 VanDerWaalsContact C-N 3.3Å; Y217-N219 PolarHBondContact O-N 2.89Å; Y217-R453 HydrophobicContact CD2-CG 3.7Å; Y217-R453 HydrophobicContact CE2-CG 4.28Å; Y217-R453 HydrophobicContact CG-CG 3.93Å; Y217-Q457 PolarHBondContact OH-OE1 3.24Å; Y217-R476 HydrophobicContact CE1-CB 4.49Å; Y217-K477 HydrophobicContact CD1-CG 4.25Å; Y217-K477 HydrophobicContact CE1-CG 3.89Å
218Q95.1Very high97.3Very high89 Ų8916.1 Ų16.142%0.4169%0.087SC..THydrogen-bonded Turntrans55.237.2170.3-56.7-177.6-2.400114.7N80 G216N80-Q218 WeakPolarHBondContact O-CA 3.34Å; N80-Q218 PolarHBondContact O-N 3.47Å; G216-Q218 PolarHBondContact O-N 2.87Å
219N94Very high97.3Very high54 Ų5416.8 Ų16.829%0.2899%0.091SC..SBendtrans-128.4-1.5-179.668.8-0.1000113.9A127 S128 Y217 I221A127-N219 PolarHBondContact O-ND2 3.04Å; S128-N219 PolarHBondContact O-ND2 3.13Å; Y217-N219 VanDerWaalsContact C-N 3.3Å; Y217-N219 PolarHBondContact O-N 2.89Å; N219-I221 PolarHBondContact O-N 2.98Å; N219-I221 PolarHBondContact OD1-N 3.18Å
220G92.9Very high97.3Very high38 Ų3817.2 Ų17.239%0.3929%0.094SC..  trans73.6-1.6-179.200000115.3N45N45-G220 WeakPolarHBondContact CB-O 3.21Å
221I96.1Very high97.2Very high7 Ų718.6 Ų18.64%0.03610%0.102CC..  trans-81.6135.8178.3-62.3-60.2000110.1T49 Y53 G216 N219 F796T49-I221 HydrophobicContact CG2-CD1 4.43Å; T49-I221 HydrophobicContact CG2-CG2 3.97Å; Y53-I221 WeakPolarHBondContact OH-CG2 3.43Å; G216-I221 PolarHBondContact N-O 2.91Å; N219-I221 PolarHBondContact O-N 2.98Å; N219-I221 PolarHBondContact OD1-N 3.18Å; I221-F796 HydrophobicContact CD1-CE2 4.01Å
222V97.8Very high97Very high2 Ų219.5 Ų19.51%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-131.8111.3172.5-172.70000109.5Y42 N45 W46 T49 M214 V215Y42-V222 HydrophobicContact CD2-CG1 4.2Å; Y42-V222 HydrophobicContact CD2-CG2 4.48Å; N45-V222 HydrophobicContact CB-CG2 3.98Å; W46-V222 HydrophobicContact CB-CB 3.75Å; W46-V222 HydrophobicContact CB-CG1 3.81Å; W46-V222 HydrophobicContact CB-CG2 4.34Å; W46-V222 HydrophobicContact CD2-CG1 4.07Å; W46-V222 HydrophobicContact CG-CB 3.99Å; W46-V222 HydrophobicContact CG-CG1 3.68Å; T49-V222 WeakPolarHBondContact CG2-O 3.17Å; T49-V222 PolarHBondContact OG1-N 2.9Å; T49-V222 VanDerWaalsContact OG1-N 3.15Å; M214-V222 WeakPolarHBondContact O-CA 3.48Å; V215-V222 HydrophobicContact CG2-CG1 4.39Å; V215-V222 HydrophobicContact CG2-CG2 4.42Å
223N97.6Very high96.7Very high1 Ų119.6 Ų19.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-89.4173.3176.4-73.7-11.4000111.7Y53 I126 A127 L131 G133 M214Y53-N223 WeakPolarHBondContact CE2-OD1 3.36Å; Y53-N223 PolarHBondContact OH-OD1 3.43Å; I126-N223 WeakPolarHBondContact CG2-ND2 3.3Å; A127-N223 HydrophobicContact CB-CB 4.31Å; L131-N223 PolarHBondContact O-ND2 3.22Å; G133-N223 WeakPolarHBondContact O-CB 3.13Å; G133-N223 VanDerWaalsContact O-CG 3.32Å; G133-N223 PolarHBondContact O-ND2 3.05Å; M214-N223 HydrophobicContact CB-CB 4.34Å; M214-N223 PolarHBondContact N-O 3.22Å; M214-N223 PolarHBondContact O-N 3.21Å
224T98.1Very high96.4Very high22 Ų2223.3 Ų23.314%0.13513%0.131CC..EExtended strand (participates in β ladder)trans-109.9127.6-177.8-530000111.5W46 N134 G135 D211 R226W46-T224 HydrophobicContact CZ2-CG2 3.98Å; W46-T224 PolarHBondContact NE1-OG1 2.88Å; N134-T224 CarbonylContact C-O 3.56Å; N134-T224 VanDerWaalsContact CA-O 3.26Å; N134-T224 WeakPolarHBondContact CA-O 3.42Å; N134-T224 WeakPolarHBondContact CB-O 3.38Å; N134-T224 PolarHBondContact OD1-N 3.38Å; G135-T224 PolarHBondContact N-O 2.71Å; D211-T224 HydrophobicContact CB-CG2 3.92Å; T224-R226 HydrophobicContact CG2-CB 4.27Å
225M98.4Very high95.9Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-100.8107.2157.3-178.8179.266.400107.8F68 T212 M214 L227F68-M225 HydrophobicContact CB-SD 3.81Å; F68-M225 HydrophobicContact CD1-CG 4.42Å; F68-M225 HydrophobicContact CD1-SD 3.68Å; F68-M225 HydrophobicContact CD2-SD 4.25Å; F68-M225 HydrophobicContact CE1-SD 4.31Å; F68-M225 HydrophobicContact CG-CG 4.49Å; F68-M225 HydrophobicContact CG-SD 3.64Å; T212-M225 HydrophobicContact CG2-CE 3.97Å; T212-M225 PolarHBondContact N-O 3Å; T212-M225 PolarHBondContact O-N 3.26Å; M214-M225 HydrophobicContact CG-CB 3.88Å; M214-M225 HydrophobicContact SD-CB 3.91Å; M214-M225 HydrophobicContact SD-CE 4.32Å; M214-M225 HydrophobicContact SD-SD 4.45Å; M225-L227 HydrophobicContact CE-CD1 4.1Å; M225-L227 HydrophobicContact CG-CD2 4.11Å; M225-L227 HydrophobicContact CG-CG 4.4Å; M225-L227 HydrophobicContact SD-CD2 4.43Å
226R98.7Very high95.5Very high44 Ų4430.2 Ų30.217%0.16616%0.162CC..EExtended strand (participates in β ladder)trans-93.2122.1-179.3174.7161-72.21733.8110.2G135 N136 G137 P209 D211 T224 W228 S283G135-R226 PolarHBondContact O-N 3.41Å; N136-R226 WeakPolarHBondContact CA-O 3.44Å; G137-R226 PolarHBondContact N-O 3.03Å; P209-R226 HydrophobicContact CB-CG 3.9Å; D211-R226 IonicContact OD1-CZ 2.74Å; D211-R226 IonicContact OD1-NE 3.84Å; D211-R226 PolarHBondContact OD1-NE 3.48Å; D211-R226 IonicContact OD1-NH2 2.91Å; D211-R226 PolarHBondContact OD1-NH2 3.49Å; D211-R226 VanDerWaalsContact OD1-NH2 3.14Å; D211-R226 IonicContact OD2-CZ 3.31Å; D211-R226 IonicContact OD2-NE 3.02Å; D211-R226 IonicContact OD2-NH2 3.87Å; D211-R226 PolarHBondContact OD2-NH2 2.97Å; T224-R226 HydrophobicContact CG2-CB 4.27Å; R226-W228 HydrophobicContact CG-CD2 4.47Å; R226-W228 HydrophobicContact CG-CH2 4.35Å; R226-W228 HydrophobicContact CG-CZ2 3.87Å; R226-S283 PolarHBondContact NH1-OG 3.02Å
227L98.7Very high95Very high1 Ų134.5 Ų34.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-115.7133.8178.8-55.3174.5000110.2F68 L110 G137 R139 Y210 M225F68-L227 HydrophobicContact CD2-CD2 4.28Å; L110-L227 HydrophobicContact CD1-CD1 3.39Å; L110-L227 HydrophobicContact CD2-CD1 4.11Å; L110-L227 HydrophobicContact CG-CD1 4.4Å; G137-L227 CarbonylContact O-C 3.56Å; G137-L227 WeakPolarHBondContact O-CA 3.37Å; R139-L227 HydrophobicContact CB-CB 3.73Å; R139-L227 HydrophobicContact CG-CB 4.48Å; Y210-L227 PolarHBondContact N-O 3.37Å; Y210-L227 PolarHBondContact O-N 3.28Å; M225-L227 HydrophobicContact CE-CD1 4.1Å; M225-L227 HydrophobicContact CG-CD2 4.11Å; M225-L227 HydrophobicContact CG-CG 4.4Å; M225-L227 HydrophobicContact SD-CD2 4.43Å
228W98.7Very high94.6Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-96.1129-176.6-57.5105.1000111.7N136 G137 R139 V177 A207 P209 R226 F275 A279N136-W228 PolarHBondContact ND2-NE1 3.22Å; N136-W228 PolarHBondContact OD1-NE1 2.97Å; G137-W228 PolarHBondContact O-N 2.9Å; R139-W228 PolarHBondContact N-O 3.15Å; V177-W228 HydrophobicContact CG2-CZ3 4.39Å; A207-W228 HydrophobicContact CB-CD2 4.43Å; A207-W228 HydrophobicContact CB-CE3 3.82Å; A207-W228 HydrophobicContact CB-CZ3 4.35Å; P209-W228 HydrophobicContact CB-CE3 3.89Å; P209-W228 HydrophobicContact CB-CH2 4.05Å; P209-W228 HydrophobicContact CB-CZ3 3.56Å; P209-W228 HydrophobicContact CG-CE3 4.31Å; P209-W228 HydrophobicContact CG-CH2 4.22Å; P209-W228 HydrophobicContact CG-CZ3 3.63Å; R226-W228 HydrophobicContact CG-CD2 4.47Å; R226-W228 HydrophobicContact CG-CH2 4.35Å; R226-W228 HydrophobicContact CG-CZ2 3.87Å; W228-F275 HydrophobicContact CB-CE1 3.7Å; W228-F275 HydrophobicContact CB-CZ 4.09Å; W228-A279 HydrophobicContact CD2-CB 3.5Å; W228-A279 VanDerWaalsContact CD2-CB 3.5Å; W228-A279 HydrophobicContact CE3-CB 3.79Å; W228-A279 HydrophobicContact CG-CB 3.88Å; W228-A279 HydrophobicContact CH2-CB 4.2Å; W228-A279 WeakPolarHBondContact CH2-O 3.41Å; W228-A279 VanDerWaalsContact CZ2-C 3.44Å; W228-A279 HydrophobicContact CZ2-CB 3.96Å; W228-A279 VanDerWaalsContact CZ2-O 3.23Å; W228-A279 WeakPolarHBondContact CZ2-O 3.43Å; W228-A279 HydrophobicContact CZ3-CB 4.11Å
229S98.2Very high94.2Very high14 Ų1443.7 Ų43.710%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-104.9141165.7-167.30000109.1V208V208-S229 PolarHBondContact N-O 3.02Å; V208-S229 PolarHBondContact O-N 2.99Å
230V97.7Very high93.8Very high9 Ų942.1 Ų42.16%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-85.1139.7174.371.80000110.5V205 R206 V249 L252 T253 F275V205-V230 HydrophobicContact CB-CG2 3.79Å; V205-V230 HydrophobicContact CG1-CG2 4.28Å; V205-V230 HydrophobicContact CG2-CG2 4.11Å; R206-V230 CarbonylContact O-C 3.55Å; V230-V249 HydrophobicContact CG1-CG1 4.33Å; V230-V249 VanDerWaalsContact CG1-O 3.25Å; V230-V249 WeakPolarHBondContact CG1-O 3.5Å; V230-V249 HydrophobicContact CG2-CG1 3.61Å; V230-L252 HydrophobicContact CB-CB 4.45Å; V230-L252 HydrophobicContact CG1-CB 4.26Å; V230-L252 HydrophobicContact CG2-CD1 4.11Å; V230-T253 HydrophobicContact CB-CG2 3.92Å; V230-T253 HydrophobicContact CG1-CG2 4.02Å; V230-T253 WeakPolarHBondContact CG1-OG1 3.42Å; V230-T253 PolarHBondContact N-OG1 3.4Å; V230-F275 HydrophobicContact CB-CE1 4.47Å; V230-F275 HydrophobicContact CB-CE2 4.02Å; V230-F275 HydrophobicContact CB-CZ 3.82Å; V230-F275 HydrophobicContact CG2-CE2 3.9Å; V230-F275 HydrophobicContact CG2-CZ 4.23Å
231E95.8Very high93.5Very high61 Ų6150.6 Ų50.629%0.28523%0.23SC..EExtended strand (participates in β ladder)trans-138160.8171-66.6-178.3-162.500109.4R171 R206 V208R171-E231 IonicContact CZ-OE1 2.82Å; R171-E231 IonicContact NE-OE1 3.74Å; R171-E231 PolarHBondContact NE-OE1 2.88Å; R171-E231 IonicContact NH2-OE1 3.55Å; R171-E231 PolarHBondContact NH2-OE1 3.19Å; R171-E231 IonicContact NH2-OE2 3.61Å; R171-E231 PolarHBondContact NH2-OE2 3.01Å; R206-E231 HydrophobicContact CB-CB 4.38Å; R206-E231 PolarHBondContact N-O 3.43Å; R206-E231 PolarHBondContact O-N 2.86Å; V208-E231 HydrophobicContact CG2-CB 4.28Å; V208-E231 VanDerWaalsContact CG2-CD 3.43Å; V208-E231 HydrophobicContact CG2-CG 3.97Å
232I94.5Very high93.2Very high27 Ų2752.7 Ų52.714%0.13825%0.245CC..  trans-89.9123.8173.6-66.8165.2000108.2E236 E237 Y240 R246 V249I232-E236 HydrophobicContact CG2-CB 4.27Å; I232-E237 HydrophobicContact CG2-CG 4.27Å; I232-Y240 HydrophobicContact CB-CD2 4.49Å; I232-Y240 HydrophobicContact CD1-CD1 4.19Å; I232-Y240 HydrophobicContact CD1-CD2 3.84Å; I232-Y240 HydrophobicContact CD1-CE2 4.4Å; I232-Y240 HydrophobicContact CD1-CG 3.7Å; I232-Y240 HydrophobicContact CG1-CD2 4.1Å; I232-Y240 HydrophobicContact CG1-CE2 4.24Å; I232-Y240 HydrophobicContact CG1-CG 4.4Å; I232-Y240 HydrophobicContact CG2-CD2 3.56Å; I232-Y240 HydrophobicContact CG2-CE2 3.82Å; I232-Y240 HydrophobicContact CG2-CG 4.48Å; I232-R246 HydrophobicContact CD1-CB 4.12Å; I232-R246 HydrophobicContact CD1-CG 3.7Å; I232-V249 HydrophobicContact CD1-CB 4.46Å; I232-V249 HydrophobicContact CD1-CG2 4.38Å; I232-V249 HydrophobicContact CG1-CB 4.31Å; I232-V249 HydrophobicContact CG1-CG1 4.03Å; I232-V249 HydrophobicContact CG1-CG2 4.31Å
233P92.5Very high92.8Very high2 Ų258.5 Ų58.51%0.01328%0.275CS..  trans-56.1140.4172.1-20.829000111.3V204 R206 E235 E236 E237V204-P233 HydrophobicContact CG1-CG 4.27Å; V204-P233 WeakPolarHBondContact O-CD 3.27Å; R206-P233 HydrophobicContact CB-CG 4.06Å; P233-E235 WeakPolarHBondContact CB-OE2 3.46Å; P233-E235 PolarHBondContact O-N 3.44Å; P233-E235 VanDerWaalsContact O-N 3.08Å; P233-E236 HydrophobicContact CB-CB 4.38Å; P233-E236 HydrophobicContact CB-CG 4.16Å; P233-E236 HydrophobicContact CG-CB 4.46Å; P233-E236 HydrophobicContact CG-CG 4.11Å; P233-E236 PolarHBondContact O-N 3.02Å; P233-E237 PolarHBondContact O-N 2.67Å
234P89.4Confident92.4Very high77 Ų7760.5 Ų60.550%0.530%0.296SS..G310 helixtrans-51.3-34174.7-28.736.3000113.3E236 E237P234-E236 PolarHBondContact O-N 2.93Å; P234-E237 PolarHBondContact O-N 2.9Å
235E88.7Confident91.8Very high138 Ų13862.5 Ų62.565%0.64531%0.306SS*.G310 helixtrans-68.5-19.7179.9-56.979-166.900113.6R206 P233R206-E235 IonicContact NH2-OE2 3.34Å; R206-E235 PolarHBondContact NH2-OE2 3.43Å; P233-E235 WeakPolarHBondContact CB-OE2 3.46Å; P233-E235 PolarHBondContact O-N 3.44Å; P233-E235 VanDerWaalsContact O-N 3.08Å
236E88.5Confident91.5Very high27 Ų2766.7 Ų66.713%0.12632%0.322CS..G310 helixtrans-105.9-5.1-176.3-64.9-77.1134.800112.5V204 I232 P233 P234 E238 R239 Y240V204-E236 HydrophobicContact CB-CG 4.05Å; I232-E236 HydrophobicContact CG2-CB 4.27Å; P233-E236 HydrophobicContact CB-CB 4.38Å; P233-E236 HydrophobicContact CB-CG 4.16Å; P233-E236 HydrophobicContact CG-CB 4.46Å; P233-E236 HydrophobicContact CG-CG 4.11Å; P233-E236 PolarHBondContact O-N 3.02Å; P234-E236 PolarHBondContact O-N 2.93Å; E236-E238 PolarHBondContact O-N 3.27Å; E236-E238 VanDerWaalsContact O-N 3.09Å; E236-R239 WeakPolarHBondContact O-CB 3.21Å; E236-R239 PolarHBondContact O-N 2.95Å; E236-R239 IonicContact OE1-CZ 3.88Å; E236-R239 IonicContact OE1-NH1 3.54Å; E236-R239 WeakPolarHBondContact OE2-CD 3.47Å; E236-R239 IonicContact OE2-CZ 3.83Å; E236-R239 IonicContact OE2-NE 4Å; E236-R239 PolarHBondContact OE2-NE 3.2Å; E236-R239 IonicContact OE2-NH1 4Å; E236-R239 PolarHBondContact OE2-NH1 3.45Å; E236-Y240 HydrophobicContact CB-CE2 4.1Å; E236-Y240 WeakPolarHBondContact O-CD2 3.43Å
237E86.7Confident91.1Very high92 Ų9272 Ų7243%0.4334%0.342SS..G310 helixtrans-54.2-35.3-174.2-76.8-173.5-172.900113.7I232 P233 P234 R239 Y240I232-E237 HydrophobicContact CG2-CG 4.27Å; P233-E237 PolarHBondContact O-N 2.67Å; P234-E237 PolarHBondContact O-N 2.9Å; E237-R239 PolarHBondContact O-N 3Å; E237-R239 VanDerWaalsContact O-N 3.14Å; E237-Y240 PolarHBondContact O-N 2.81Å; E237-Y240 VanDerWaalsContact O-N 3.07Å
238E88.1Confident90.6Very high157 Ų15774.8 Ų74.873%0.73437%0.365SS*.G310 helixtrans-62.8-19.4179.9-64.7-17017200113.9E236 R241E236-E238 PolarHBondContact O-N 3.27Å; E236-E238 VanDerWaalsContact O-N 3.09Å; E238-R241 VanDerWaalsContact O-CG 3.28Å; E238-R241 WeakPolarHBondContact O-CG 2.97Å; E238-R241 PolarHBondContact O-NE 2.81Å
239R86.2Confident90.3Very high144 Ų14475 Ų7554%0.54337%0.366SS..G310 helixtrans-83-22.4177-61.4-176.9179.4-178-6.5112.9G202 E236 E237G202-R239 PolarHBondContact O-NH1 2.85Å; E236-R239 WeakPolarHBondContact O-CB 3.21Å; E236-R239 PolarHBondContact O-N 2.95Å; E236-R239 IonicContact OE1-CZ 3.88Å; E236-R239 IonicContact OE1-NH1 3.54Å; E236-R239 WeakPolarHBondContact OE2-CD 3.47Å; E236-R239 IonicContact OE2-CZ 3.83Å; E236-R239 IonicContact OE2-NE 4Å; E236-R239 PolarHBondContact OE2-NE 3.2Å; E236-R239 IonicContact OE2-NH1 4Å; E236-R239 PolarHBondContact OE2-NH1 3.45Å; E237-R239 PolarHBondContact O-N 3Å; E237-R239 VanDerWaalsContact O-N 3.14Å
240Y87.1Confident90Very high22 Ų2279.2 Ų79.29%0.08638%0.384CS..  trans-112.271.7-176.3-54.7-84.5000110.7M203 I232 E236 E237 D245 R246 V249M203-Y240 VanDerWaalsContact CB-OH 3.22Å; M203-Y240 WeakPolarHBondContact CB-OH 3.19Å; I232-Y240 HydrophobicContact CB-CD2 4.49Å; I232-Y240 HydrophobicContact CD1-CD1 4.19Å; I232-Y240 HydrophobicContact CD1-CD2 3.84Å; I232-Y240 HydrophobicContact CD1-CE2 4.4Å; I232-Y240 HydrophobicContact CD1-CG 3.7Å; I232-Y240 HydrophobicContact CG1-CD2 4.1Å; I232-Y240 HydrophobicContact CG1-CE2 4.24Å; I232-Y240 HydrophobicContact CG1-CG 4.4Å; I232-Y240 HydrophobicContact CG2-CD2 3.56Å; I232-Y240 HydrophobicContact CG2-CE2 3.82Å; I232-Y240 HydrophobicContact CG2-CG 4.48Å; E236-Y240 HydrophobicContact CB-CE2 4.1Å; E236-Y240 WeakPolarHBondContact O-CD2 3.43Å; E237-Y240 PolarHBondContact O-N 2.81Å; E237-Y240 VanDerWaalsContact O-N 3.07Å; Y240-D245 HydrophobicContact CD1-CB 3.93Å; Y240-D245 HydrophobicContact CG-CB 4.49Å; Y240-R246 PolarHBondContact O-NE 2.86Å; Y240-V249 HydrophobicContact CD1-CG2 3.87Å; Y240-V249 HydrophobicContact CE1-CG2 3.31Å
241R86.8Confident89.9Confident216 Ų21682.3 Ų82.382%0.81540%0.401SS*.  trans-82.6-26.6-170.6-60.5-178-176.8-178-2.6112.7E238 D245E238-R241 VanDerWaalsContact O-CG 3.28Å; E238-R241 WeakPolarHBondContact O-CG 2.97Å; E238-R241 PolarHBondContact O-NE 2.81Å; R241-D245 PolarHBondContact N-OD2 2.72Å
242S89.2Confident89.8Confident50 Ų5079.5 Ų79.535%0.3539%0.387SS..SBendtrans-100154.5178.293.30000111.4G244 D245 R246S242-G244 PolarHBondContact O-N 3.29Å; S242-G244 PolarHBondContact OG-N 3.31Å; S242-G244 VanDerWaalsContact OG-N 3.17Å; S242-D245 WeakPolarHBondContact CB-OD2 3.35Å; S242-D245 PolarHBondContact N-OD2 3.47Å; S242-D245 PolarHBondContact O-N 3.21Å; S242-D245 PolarHBondContact OG-N 2.71Å; S242-D245 PolarHBondContact OG-OD1 2.97Å; S242-D245 PolarHBondContact OG-OD2 3.38Å; S242-R246 PolarHBondContact O-N 2.84Å
243I89.4Confident90Very high124 Ų12478.6 Ų78.664%0.63638%0.383SS*.Hα-helixtrans-60.5-32.7170.1-65.6171000110.3R246 R247I243-R246 PolarHBondContact O-N 3.31Å; I243-R247 HydrophobicContact CG2-CG 4.3Å; I243-R247 WeakPolarHBondContact O-CB 2.93Å; I243-R247 WeakPolarHBondContact O-CG 3.15Å; I243-R247 PolarHBondContact O-N 3.11Å
244G89.1Confident90.1Very high44 Ų4479.2 Ų79.245%0.45439%0.387SS..Hα-helixtrans-63-41.1175.800000112.5S242 R246 R247 A248S242-G244 PolarHBondContact O-N 3.29Å; S242-G244 PolarHBondContact OG-N 3.31Å; S242-G244 VanDerWaalsContact OG-N 3.17Å; G244-R246 VanDerWaalsContact C-N 3.32Å; G244-R246 PolarHBondContact O-N 2.95Å; G244-R247 PolarHBondContact O-N 3.42Å; G244-A248 PolarHBondContact O-N 2.89Å
245D86.2Confident90.4Very high64 Ų6478 Ų7834%0.34238%0.378SS..Hα-helixtrans-65-40.5179.2-47.9-20.1000110.4Y240 R241 S242Y240-D245 HydrophobicContact CD1-CB 3.93Å; Y240-D245 HydrophobicContact CG-CB 4.49Å; R241-D245 PolarHBondContact N-OD2 2.72Å; S242-D245 WeakPolarHBondContact CB-OD2 3.35Å; S242-D245 PolarHBondContact N-OD2 3.47Å; S242-D245 PolarHBondContact O-N 3.21Å; S242-D245 PolarHBondContact OG-N 2.71Å; S242-D245 PolarHBondContact OG-OD1 2.97Å; S242-D245 PolarHBondContact OG-OD2 3.38Å
246R91Very high90.7Very high88 Ų8871.4 Ų71.433%0.33235%0.347SS..Hα-helixtrans-67.5-43.8177.5-65.1-173.5170.9-118.1-0.1112I232 Y240 S242 I243 G244 A248 V249 E250I232-R246 HydrophobicContact CD1-CB 4.12Å; I232-R246 HydrophobicContact CD1-CG 3.7Å; Y240-R246 PolarHBondContact O-NE 2.86Å; S242-R246 PolarHBondContact O-N 2.84Å; I243-R246 PolarHBondContact O-N 3.31Å; G244-R246 VanDerWaalsContact C-N 3.32Å; G244-R246 PolarHBondContact O-N 2.95Å; R246-A248 VanDerWaalsContact C-N 3.3Å; R246-A248 PolarHBondContact O-N 2.88Å; R246-V249 WeakPolarHBondContact O-CB 3.42Å; R246-V249 PolarHBondContact O-N 3.02Å; R246-E250 WeakPolarHBondContact O-CG 3.49Å; R246-E250 PolarHBondContact O-N 2.67Å
247R89.7Confident90.8Very high155 Ų15572.6 Ų72.659%0.58535%0.351SS*.Hα-helixtrans-59.1-40.1176.2-76.8178.5-178.7-176.80112.6I243 G244 V249 E250 D251I243-R247 HydrophobicContact CG2-CG 4.3Å; I243-R247 WeakPolarHBondContact O-CB 2.93Å; I243-R247 WeakPolarHBondContact O-CG 3.15Å; I243-R247 PolarHBondContact O-N 3.11Å; G244-R247 PolarHBondContact O-N 3.42Å; R247-V249 PolarHBondContact O-N 3.44Å; R247-E250 CarbonylContact O-C 3.56Å; R247-E250 PolarHBondContact O-N 3.12Å; R247-E250 VanDerWaalsContact O-N 3.1Å; R247-D251 PolarHBondContact O-N 2.93Å
248A88.4Confident91Very high60 Ų6069 Ų6950%0.49634%0.336SS..Hα-helixtrans-60.7-28.4176.900000113G244 R246G244-A248 PolarHBondContact O-N 2.89Å; R246-A248 VanDerWaalsContact C-N 3.3Å; R246-A248 PolarHBondContact O-N 2.88Å
249V92.2Very high91Very high4 Ų465 Ų652%0.02432%0.319CS..Hα-helixtrans-77.3-47.8171.5177.40000110.6V205 V230 I232 Y240 R246 R247 D251 L252V205-V249 HydrophobicContact CB-CG1 4.47Å; V205-V249 HydrophobicContact CG1-CG1 3.75Å; V230-V249 HydrophobicContact CG1-CG1 4.33Å; V230-V249 VanDerWaalsContact CG1-O 3.25Å; V230-V249 WeakPolarHBondContact CG1-O 3.5Å; V230-V249 HydrophobicContact CG2-CG1 3.61Å; I232-V249 HydrophobicContact CD1-CB 4.46Å; I232-V249 HydrophobicContact CD1-CG2 4.38Å; I232-V249 HydrophobicContact CG1-CB 4.31Å; I232-V249 HydrophobicContact CG1-CG1 4.03Å; I232-V249 HydrophobicContact CG1-CG2 4.31Å; Y240-V249 HydrophobicContact CD1-CG2 3.87Å; Y240-V249 HydrophobicContact CE1-CG2 3.31Å; R246-V249 WeakPolarHBondContact O-CB 3.42Å; R246-V249 PolarHBondContact O-N 3.02Å; R247-V249 PolarHBondContact O-N 3.44Å; V249-D251 PolarHBondContact O-N 3.31Å; V249-L252 VanDerWaalsContact O-CB 3.31Å; V249-L252 WeakPolarHBondContact O-CB 3.48Å; V249-L252 WeakPolarHBondContact O-CG 3.15Å; V249-L252 PolarHBondContact O-N 3.04Å; V249-L252 VanDerWaalsContact O-N 3.09Å
250E93.8Very high91Very high102 Ų10260.7 Ų60.748%0.47731%0.307SS..Hα-helixtrans-58.9-29.4178.8-67.3165.4179.200112.8R246 R247 L252 T253 S254R246-E250 WeakPolarHBondContact O-CG 3.49Å; R246-E250 PolarHBondContact O-N 2.67Å; R247-E250 CarbonylContact O-C 3.56Å; R247-E250 PolarHBondContact O-N 3.12Å; R247-E250 VanDerWaalsContact O-N 3.1Å; E250-L252 PolarHBondContact O-N 2.76Å; E250-L252 VanDerWaalsContact O-N 3.13Å; E250-T253 PolarHBondContact O-N 3.16Å; E250-S254 PolarHBondContact O-N 3.33Å; E250-S254 PolarHBondContact O-OG 2.86Å
251D93.9Very high91Very high75 Ų7563.8 Ų63.840%0.40133%0.332SS..G310 helixtrans-57.2-26.9176.1-76.1-21.8000112.3R247 V249 T253 S254 L268R247-D251 PolarHBondContact O-N 2.93Å; V249-D251 PolarHBondContact O-N 3.31Å; D251-T253 PolarHBondContact O-N 2.91Å; D251-S254 PolarHBondContact O-N 3.16Å; D251-L268 HydrophobicContact CB-CD1 4.16Å; D251-L268 HydrophobicContact CB-CD2 4.21Å
252L95Very high91.2Very high2 Ų257.2 Ų57.21%0.0131%0.313CS..G310 helixtrans-58.9-29.5176-71.7168.1000112.9I181 V230 V249 E250 L268 S271 Q272I181-L252 HydrophobicContact CD1-CD1 3.9Å; V230-L252 HydrophobicContact CB-CB 4.45Å; V230-L252 HydrophobicContact CG1-CB 4.26Å; V230-L252 HydrophobicContact CG2-CD1 4.11Å; V249-L252 VanDerWaalsContact O-CB 3.31Å; V249-L252 WeakPolarHBondContact O-CB 3.48Å; V249-L252 WeakPolarHBondContact O-CG 3.15Å; V249-L252 PolarHBondContact O-N 3.04Å; V249-L252 VanDerWaalsContact O-N 3.09Å; E250-L252 PolarHBondContact O-N 2.76Å; E250-L252 VanDerWaalsContact O-N 3.13Å; L252-L268 HydrophobicContact CD2-CD1 3.87Å; L252-L268 HydrophobicContact CG-CD1 4.3Å; L252-S271 VanDerWaalsContact CD2-CB 3.48Å; L252-Q272 HydrophobicContact CD2-CG 4.1Å; L252-Q272 VanDerWaalsContact O-CG 3.23Å; L252-Q272 WeakPolarHBondContact O-CG 3.41Å; L252-Q272 PolarHBondContact O-NE2 3.39Å
253T97.4Very high91.3Very high8 Ų861.1 Ų61.15%0.04933%0.326CS..G310 helixtrans-124.721.4177.864.90000112.3I138 Y140 E141 V230 E250 D251 F275I138-T253 HydrophobicContact CG2-CG2 3.66Å; Y140-T253 CarbonylContact C-O 3.51Å; Y140-T253 VanDerWaalsContact CA-O 3.25Å; Y140-T253 WeakPolarHBondContact CA-O 3.28Å; E141-T253 PolarHBondContact N-O 2.96Å; V230-T253 HydrophobicContact CB-CG2 3.92Å; V230-T253 HydrophobicContact CG1-CG2 4.02Å; V230-T253 WeakPolarHBondContact CG1-OG1 3.42Å; V230-T253 PolarHBondContact N-OG1 3.4Å; E250-T253 PolarHBondContact O-N 3.16Å; D251-T253 PolarHBondContact O-N 2.91Å; T253-F275 HydrophobicContact CG2-CD1 4.13Å; T253-F275 HydrophobicContact CG2-CE1 3.5Å; T253-F275 HydrophobicContact CG2-CZ 4.14Å
254S95.8Very high91.5Very high14 Ų1458.6 Ų58.610%0.09832%0.323CS..THydrogen-bonded Turntrans-85.1-53.9179.9-70.90000112.3E141 Y142 E250 D251E141-S254 PolarHBondContact N-O 2.9Å; Y142-S254 PolarHBondContact N-O 3.5Å; E250-S254 PolarHBondContact O-N 3.33Å; E250-S254 PolarHBondContact O-OG 2.86Å; D251-S254 PolarHBondContact O-N 3.16Å
255V95Very high91.6Very high51 Ų5156.9 Ų56.931%0.30931%0.306SS..  trans-125.1137.4-171.9178.80000111G143 Q272G143-V255 CarbonylContact O-C 3.56Å; G143-V255 VanDerWaalsContact O-CA 3.32Å; G143-V255 WeakPolarHBondContact O-CA 3.15Å; G143-V255 WeakPolarHBondContact O-CG1 3.31Å; V255-Q272 PolarHBondContact O-NE2 3.14Å
256L95.1Very high92Very high0 Ų058 Ų580%031%0.305CS..SBendtrans-79.1130.5171.1169.667.1000109.7I66 E67 G111 N112 Y140 G143 L144I66-L256 HydrophobicContact CG1-CD1 4.28Å; E67-L256 HydrophobicContact CB-CD1 4.27Å; E67-L256 HydrophobicContact CB-CD2 4.15Å; G111-L256 VanDerWaalsContact C-CD2 3.49Å; G111-L256 VanDerWaalsContact CA-CD2 3.42Å; N112-L256 HydrophobicContact CB-CD2 4.16Å; Y140-L256 HydrophobicContact CD1-CB 4.04Å; Y140-L256 HydrophobicContact CD2-CB 3.99Å; Y140-L256 HydrophobicContact CD2-CD1 4.49Å; Y140-L256 HydrophobicContact CE1-CB 3.98Å; Y140-L256 HydrophobicContact CE1-CD1 4.27Å; Y140-L256 HydrophobicContact CE2-CB 3.93Å; Y140-L256 HydrophobicContact CE2-CD1 3.63Å; Y140-L256 HydrophobicContact CE2-CG 4.25Å; Y140-L256 HydrophobicContact CG-CB 4.03Å; Y140-L256 VanDerWaalsContact CZ-CD1 3.48Å; Y140-L256 VanDerWaalsContact OH-CD1 3.31Å; Y140-L256 WeakPolarHBondContact OH-CD1 3.38Å; G143-L256 PolarHBondContact O-N 3.1Å; L144-L256 VanDerWaalsContact CD1-O 3.23Å; L144-L256 WeakPolarHBondContact CD1-O 3.45Å
257Y91.3Very high92.2Very high52 Ų5257.6 Ų57.620%0.20430%0.304CS..SBendtrans51.764-176.7-53.8-55.2000112.1I66 N112 H310I66-Y257 HydrophobicContact CD1-CE1 4.29Å; I66-Y257 HydrophobicContact CG2-CE1 3.72Å; I66-Y257 WeakPolarHBondContact CG2-OH 3.48Å; N112-Y257 HydrophobicContact CB-CD2 4.48Å; N112-Y257 HydrophobicContact CB-CE2 4.24Å; Y257-H310 AromaticContact CE1-NE2 3.77Å
258P90.4Very high92.5Very high16 Ų1652 Ų5210%0.10429%0.285CS..  trans-57.2152.1176.128.6-36.4000110.3D260 L268 R269P258-D260 PolarHBondContact O-N 3.29Å; P258-L268 HydrophobicContact CB-CD2 3.88Å; P258-L268 HydrophobicContact CG-CD2 4.01Å; P258-L268 HydrophobicContact CG-CG 4.16Å; P258-R269 HydrophobicContact CG-CB 4.26Å
259D87.1Confident92.8Very high73 Ų7351.4 Ų51.439%0.3927%0.27SS..  trans-57.6113.7178.8179.36.8000110.6S261 G265D259-S261 VanDerWaalsContact CG-OG 3.27Å; D259-S261 WeakPolarHBondContact OD1-CB 3.38Å; D259-S261 PolarHBondContact OD1-N 3.06Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.39Å; D259-G265 WeakPolarHBondContact O-CA 3.41Å
260D88.1Confident93Very high54 Ų5451.2 Ų51.229%0.28927%0.269SS..  trans-105.720.1-176.965.7-8.8000112.8P258 N262 R266 R269P258-D260 PolarHBondContact O-N 3.29Å; D260-N262 PolarHBondContact O-N 2.98Å; D260-R266 HydrophobicContact CB-CG 3.92Å; D260-R266 WeakPolarHBondContact O-CG 3.3Å; D260-R269 IonicContact OD2-CZ 2.81Å; D260-R269 IonicContact OD2-NH1 3.69Å; D260-R269 PolarHBondContact OD2-NH1 3.19Å
261S86.4Confident93.2Very high87 Ų8746.7 Ų46.761%0.60825%0.248SC*.SBendtrans-65.6-14.7173.861.40000114.2D259D259-S261 VanDerWaalsContact CG-OG 3.27Å; D259-S261 WeakPolarHBondContact OD1-CB 3.38Å; D259-S261 PolarHBondContact OD1-N 3.06Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.39Å
262N90.8Very high93.4Very high79 Ų7943.1 Ų43.142%0.42223%0.23SC..SBendtrans-130.2166.1178.66668.8000111.9D260 A264 G265 R266D260-N262 PolarHBondContact O-N 2.98Å; N262-A264 VanDerWaalsContact C-N 3.33Å; N262-A264 PolarHBondContact O-N 2.72Å; N262-A264 WeakPolarHBondContact OD1-CB 2.94Å; N262-A264 PolarHBondContact OD1-N 2.71Å; N262-A264 VanDerWaalsContact OD1-N 3.14Å; N262-G265 PolarHBondContact O-N 3.26Å; N262-G265 PolarHBondContact OD1-N 3.3Å; N262-R266 WeakPolarHBondContact O-CG 3.32Å; N262-R266 PolarHBondContact O-N 2.73Å
263E92.1Very high93.5Very high132 Ų13243 Ų4362%0.61723%0.229SC*.Hα-helixtrans-61.1-36.9-175.2-168.6-174.1158.100113.5R266 R267 M360E263-R266 PolarHBondContact O-N 3.39Å; E263-R267 WeakPolarHBondContact O-CB 3.43Å; E263-R267 PolarHBondContact O-N 3.2Å; E263-M360 HydrophobicContact CG-CE 3.88Å
264A92Very high93.6Very high70 Ų7043.2 Ų43.258%0.57923%0.229SC*.Hα-helixtrans-66.2-43.9179.700000111.3N262 R267 L268N262-A264 VanDerWaalsContact C-N 3.33Å; N262-A264 PolarHBondContact O-N 2.72Å; N262-A264 WeakPolarHBondContact OD1-CB 2.94Å; N262-A264 PolarHBondContact OD1-N 2.71Å; N262-A264 VanDerWaalsContact OD1-N 3.14Å; A264-R267 PolarHBondContact O-N 2.94Å; A264-L268 PolarHBondContact O-N 3.34Å
265G92.4Very high93.7Very high8 Ų842.6 Ų42.68%0.08222%0.224CC..Hα-helixtrans-61.8-4517400000113.3D259 N262 R267 L268 R269D259-G265 WeakPolarHBondContact O-CA 3.41Å; N262-G265 PolarHBondContact O-N 3.26Å; N262-G265 PolarHBondContact OD1-N 3.3Å; G265-R267 VanDerWaalsContact C-N 3.34Å; G265-R267 PolarHBondContact O-N 3.09Å; G265-L268 PolarHBondContact O-N 2.69Å; G265-R269 PolarHBondContact O-N 3.2Å
266R94Very high93.8Very high87 Ų8740.1 Ų40.133%0.32821%0.21SC..Hα-helixtrans-58.5-44.5173.5-72.4-175.271.9-168.63.5112.3D260 N262 E263 R269 L270 W356 M360D260-R266 HydrophobicContact CB-CG 3.92Å; D260-R266 WeakPolarHBondContact O-CG 3.3Å; N262-R266 WeakPolarHBondContact O-CG 3.32Å; N262-R266 PolarHBondContact O-N 2.73Å; E263-R266 PolarHBondContact O-N 3.39Å; R266-R269 PolarHBondContact O-N 2.66Å; R266-L270 PolarHBondContact O-N 3.28Å; R266-W356 HydrophobicContact CB-CZ3 4.02Å; R266-W356 WeakPolarHBondContact O-CZ3 3.23Å; R266-M360 HydrophobicContact CB-CE 3.73Å; R266-M360 HydrophobicContact CB-SD 3.94Å
267R95.4Very high94Very high80 Ų8040.1 Ų40.130%0.30221%0.21SC..Hα-helixtrans-63.7-42.3176.6176.9-179.9-69.9-85.83.3111.8E263 A264 G265 S271 S363 V364E263-R267 WeakPolarHBondContact O-CB 3.43Å; E263-R267 PolarHBondContact O-N 3.2Å; A264-R267 PolarHBondContact O-N 2.94Å; G265-R267 VanDerWaalsContact C-N 3.34Å; G265-R267 PolarHBondContact O-N 3.09Å; R267-S271 WeakPolarHBondContact O-CB 3.23Å; R267-S271 PolarHBondContact O-N 3Å; R267-S271 PolarHBondContact O-OG 2.84Å; R267-S363 VanDerWaalsContact CZ-OG 3.31Å; R267-S363 PolarHBondContact NH1-OG 2.82Å; R267-S363 PolarHBondContact NH2-OG 2.93Å; R267-V364 HydrophobicContact CG-CG2 3.84Å
268L95.1Very high94.4Very high39 Ų3937.8 Ų37.820%0.20420%0.201CC..Hα-helixtrans-60-51.9175.5178.361.8000109.9D251 L252 P258 A264 G265 L270 S271 Q272D251-L268 HydrophobicContact CB-CD1 4.16Å; D251-L268 HydrophobicContact CB-CD2 4.21Å; L252-L268 HydrophobicContact CD2-CD1 3.87Å; L252-L268 HydrophobicContact CG-CD1 4.3Å; P258-L268 HydrophobicContact CB-CD2 3.88Å; P258-L268 HydrophobicContact CG-CD2 4.01Å; P258-L268 HydrophobicContact CG-CG 4.16Å; A264-L268 PolarHBondContact O-N 3.34Å; G265-L268 PolarHBondContact O-N 2.69Å; L268-L270 PolarHBondContact O-N 2.84Å; L268-S271 CarbonylContact O-C 3.58Å; L268-S271 WeakPolarHBondContact O-CA 3.16Å; L268-S271 WeakPolarHBondContact O-CB 3.4Å; L268-S271 PolarHBondContact O-N 2.98Å; L268-Q272 HydrophobicContact CD1-CG 4.28Å; L268-Q272 HydrophobicContact CG-CG 4.34Å; L268-Q272 WeakPolarHBondContact O-CG 3.23Å; L268-Q272 PolarHBondContact O-N 2.71Å
269R95.4Very high94.8Very high47 Ų4737 Ų3718%0.17720%0.196CC..Hα-helixtrans-54.6-50.2178.6-179.4174.3169174.60.2112.8P258 D260 G265 R266 S271 Q272 E273 E354 W356P258-R269 HydrophobicContact CG-CB 4.26Å; D260-R269 IonicContact OD2-CZ 2.81Å; D260-R269 IonicContact OD2-NH1 3.69Å; D260-R269 PolarHBondContact OD2-NH1 3.19Å; G265-R269 PolarHBondContact O-N 3.2Å; R266-R269 PolarHBondContact O-N 2.66Å; R269-S271 VanDerWaalsContact C-N 3.27Å; R269-S271 PolarHBondContact O-N 2.74Å; R269-Q272 WeakPolarHBondContact O-CB 3.38Å; R269-Q272 PolarHBondContact O-N 2.85Å; R269-E273 WeakPolarHBondContact CG-OE1 3.16Å; R269-E273 IonicContact NE-OE1 3.91Å; R269-E273 PolarHBondContact NE-OE1 2.82Å; R269-E273 WeakPolarHBondContact O-CG 3.28Å; R269-E273 PolarHBondContact O-N 3.5Å; R269-E354 IonicContact CZ-OE2 2.85Å; R269-E354 IonicContact NE-OE2 2.72Å; R269-E354 IonicContact NH2-OE2 2.96Å; R269-E354 PolarHBondContact NH2-OE2 2.78Å; R269-W356 HydrophobicContact CB-CH2 4.1Å; R269-W356 HydrophobicContact CG-CH2 3.93Å; R269-W356 HydrophobicContact CG-CZ2 4.27Å
270L97.2Very high95.3Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-61-37.5175.9178.362.9000112.1R266 L268 E273 Y274 M313 W356 M360 M361 V364R266-L270 PolarHBondContact O-N 3.28Å; L268-L270 PolarHBondContact O-N 2.84Å; L270-E273 PolarHBondContact O-N 2.62Å; L270-Y274 PolarHBondContact O-N 2.92Å; L270-M313 HydrophobicContact CD1-CE 3.58Å; L270-M313 HydrophobicContact CD1-SD 4.01Å; L270-W356 HydrophobicContact CB-CD2 4.2Å; L270-W356 HydrophobicContact CB-CE3 4.17Å; L270-W356 HydrophobicContact CB-CH2 4.05Å; L270-W356 HydrophobicContact CB-CZ2 4.07Å; L270-W356 HydrophobicContact CB-CZ3 4.1Å; L270-W356 HydrophobicContact CD1-CD2 4Å; L270-W356 HydrophobicContact CD1-CG 3.99Å; L270-W356 HydrophobicContact CD1-CZ2 4.39Å; L270-W356 HydrophobicContact CD2-CD2 4.3Å; L270-W356 HydrophobicContact CD2-CE3 4.47Å; L270-W356 HydrophobicContact CD2-CG 4.33Å; L270-W356 HydrophobicContact CG-CD2 4.39Å; L270-M360 HydrophobicContact CD2-CG 3.79Å; L270-M360 HydrophobicContact CD2-SD 4.49Å; L270-M361 HydrophobicContact CD1-SD 3.76Å; L270-M361 HydrophobicContact CD2-CG 4.49Å; L270-M361 HydrophobicContact CD2-SD 3.71Å; L270-M361 HydrophobicContact CG-SD 4.38Å; L270-V364 HydrophobicContact CD2-CB 3.86Å; L270-V364 HydrophobicContact CD2-CG1 4.15Å; L270-V364 HydrophobicContact CD2-CG2 4Å; L270-V364 HydrophobicContact CG-CB 4.28Å; L270-V364 HydrophobicContact CG-CG1 3.99Å
271S97.3Very high95.8Very high6 Ų631 Ų314%0.04216%0.163CC..Hα-helixtrans-68-38.1177.1-55.70000111.9L252 R267 L268 R269 F275 V364L252-S271 VanDerWaalsContact CD2-CB 3.48Å; R267-S271 WeakPolarHBondContact O-CB 3.23Å; R267-S271 PolarHBondContact O-N 3Å; R267-S271 PolarHBondContact O-OG 2.84Å; L268-S271 CarbonylContact O-C 3.58Å; L268-S271 WeakPolarHBondContact O-CA 3.16Å; L268-S271 WeakPolarHBondContact O-CB 3.4Å; L268-S271 PolarHBondContact O-N 2.98Å; R269-S271 VanDerWaalsContact C-N 3.27Å; R269-S271 PolarHBondContact O-N 2.74Å; S271-F275 WeakPolarHBondContact O-CB 2.86Å; S271-F275 PolarHBondContact O-N 3.21Å; S271-V364 WeakPolarHBondContact OG-CG1 3.45Å
272Q97.5Very high96.4Very high1 Ų128.5 Ų28.51%0.00514%0.142CC..Hα-helixtrans-62.3-47.4173.6-66.5-173.6-57.600110.9I138 L252 V255 L268 R269 Y274 F275 F276I138-Q272 HydrophobicContact CD1-CB 4.22Å; L252-Q272 HydrophobicContact CD2-CG 4.1Å; L252-Q272 VanDerWaalsContact O-CG 3.23Å; L252-Q272 WeakPolarHBondContact O-CG 3.41Å; L252-Q272 PolarHBondContact O-NE2 3.39Å; V255-Q272 PolarHBondContact O-NE2 3.14Å; L268-Q272 HydrophobicContact CD1-CG 4.28Å; L268-Q272 HydrophobicContact CG-CG 4.34Å; L268-Q272 WeakPolarHBondContact O-CG 3.23Å; L268-Q272 PolarHBondContact O-N 2.71Å; R269-Q272 WeakPolarHBondContact O-CB 3.38Å; R269-Q272 PolarHBondContact O-N 2.85Å; Q272-Y274 PolarHBondContact O-N 2.85Å; Q272-F275 WeakPolarHBondContact O-CB 3.03Å; Q272-F275 PolarHBondContact O-N 3.07Å; Q272-F276 WeakPolarHBondContact O-CD1 3.42Å; Q272-F276 PolarHBondContact O-N 2.96Å
273E97.9Very high96.8Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-59.8-47.4178.3-74.8167.2-165.600111.3I66 R269 L270 F275 F276 V277 H310 M313 E354I66-E273 HydrophobicContact CD1-CG 3.93Å; R269-E273 WeakPolarHBondContact CG-OE1 3.16Å; R269-E273 IonicContact NE-OE1 3.91Å; R269-E273 PolarHBondContact NE-OE1 2.82Å; R269-E273 WeakPolarHBondContact O-CG 3.28Å; R269-E273 PolarHBondContact O-N 3.5Å; L270-E273 PolarHBondContact O-N 2.62Å; E273-F275 PolarHBondContact O-N 2.9Å; E273-F276 HydrophobicContact CB-CE1 4.49Å; E273-F276 WeakPolarHBondContact O-CD1 3.23Å; E273-F276 WeakPolarHBondContact O-CE1 3.49Å; E273-V277 WeakPolarHBondContact O-CB 3.37Å; E273-V277 WeakPolarHBondContact O-CG2 3.2Å; E273-V277 PolarHBondContact O-N 3.39Å; E273-H310 HydrophobicContact CG-CB 4.29Å; E273-M313 HydrophobicContact CB-CE 3.65Å; E273-E354 VanDerWaalsContact OE1-OE2 3.12Å
274Y98.4Very high97.1Very high12 Ų1219 Ų195%0.04710%0.097CC..Hα-helixtrans-66.2-38.4176.9-176.4-124000112.4V179 R180 I181 L270 Q272 F276 V277 S278 M313 E317 C365 I368V179-Y274 HydrophobicContact CG1-CD1 4.38Å; V179-Y274 HydrophobicContact CG1-CE1 4.12Å; R180-Y274 VanDerWaalsContact O-CE1 3.32Å; R180-Y274 WeakPolarHBondContact O-CE1 3.36Å; I181-Y274 HydrophobicContact CG1-CD1 4.45Å; L270-Y274 PolarHBondContact O-N 2.92Å; Q272-Y274 PolarHBondContact O-N 2.85Å; Y274-F276 PolarHBondContact O-N 3.1Å; Y274-V277 PolarHBondContact O-N 3.35Å; Y274-S278 WeakPolarHBondContact O-CB 3.48Å; Y274-S278 PolarHBondContact O-N 3.2Å; Y274-M313 HydrophobicContact CD2-SD 4.09Å; Y274-M313 HydrophobicContact CG-SD 4.41Å; Y274-E317 HydrophobicContact CE2-CB 4.43Å; Y274-E317 WeakPolarHBondContact CE2-OE2 3.35Å; Y274-E317 PolarHBondContact OH-OE2 3.49Å; Y274-C365 HydrophobicContact CD1-CB 3.94Å; Y274-C365 HydrophobicContact CD2-CB 4.43Å; Y274-C365 HydrophobicContact CE1-CB 4.12Å; Y274-C365 HydrophobicContact CG-CB 4.11Å; Y274-I368 HydrophobicContact CD2-CG1 4.17Å; Y274-I368 HydrophobicContact CE2-CD1 3.7Å; Y274-I368 HydrophobicContact CE2-CG1 3.47Å; Y274-I368 VanDerWaalsContact CE2-CG1 3.47Å
275F98.5Very high97.3Very high0 Ų016 Ų160%07%0.07CC..Hα-helixtrans-55.5-54.1-179.4167.2-101.6000112.3V179 I181 V205 A207 W228 V230 T253 S271 Q272 E273 A279V179-F275 HydrophobicContact CB-CD2 4.43Å; V179-F275 HydrophobicContact CG2-CD2 4.33Å; I181-F275 HydrophobicContact CD1-CB 4.46Å; V205-F275 HydrophobicContact CG2-CD2 3.93Å; V205-F275 HydrophobicContact CG2-CE2 4.14Å; A207-F275 HydrophobicContact CB-CD2 4.41Å; A207-F275 HydrophobicContact CB-CE2 3.5Å; A207-F275 HydrophobicContact CB-CZ 3.62Å; W228-F275 HydrophobicContact CB-CE1 3.7Å; W228-F275 HydrophobicContact CB-CZ 4.09Å; V230-F275 HydrophobicContact CB-CE1 4.47Å; V230-F275 HydrophobicContact CB-CE2 4.02Å; V230-F275 HydrophobicContact CB-CZ 3.82Å; V230-F275 HydrophobicContact CG2-CE2 3.9Å; V230-F275 HydrophobicContact CG2-CZ 4.23Å; T253-F275 HydrophobicContact CG2-CD1 4.13Å; T253-F275 HydrophobicContact CG2-CE1 3.5Å; T253-F275 HydrophobicContact CG2-CZ 4.14Å; S271-F275 WeakPolarHBondContact O-CB 2.86Å; S271-F275 PolarHBondContact O-N 3.21Å; Q272-F275 WeakPolarHBondContact O-CB 3.03Å; Q272-F275 PolarHBondContact O-N 3.07Å; E273-F275 PolarHBondContact O-N 2.9Å; F275-A279 VanDerWaalsContact O-CB 3.3Å; F275-A279 WeakPolarHBondContact O-CB 3.46Å; F275-A279 PolarHBondContact O-N 3.44Å
276F98.3Very high97.5Very high0 Ų018.5 Ų18.50%08%0.077CC..Hα-helixtrans-75.1-31.4-177.192-86.7000112.5F64 I138 Q272 E273 Y274 G280 P311F64-F276 HydrophobicContact CB-CE2 4.25Å; F64-F276 HydrophobicContact CD1-CD2 4.17Å; F64-F276 AromaticContact CD1-CE2 3.79Å; F64-F276 HydrophobicContact CD1-CE2 3.79Å; F64-F276 HydrophobicContact CG-CE2 4.5Å; I138-F276 HydrophobicContact CD1-CB 3.95Å; I138-F276 HydrophobicContact CD1-CD1 4.02Å; I138-F276 HydrophobicContact CD1-CG 4.24Å; I138-F276 HydrophobicContact CG1-CB 3.49Å; I138-F276 VanDerWaalsContact CG1-CB 3.49Å; I138-F276 HydrophobicContact CG1-CD1 4.28Å; I138-F276 HydrophobicContact CG1-CG 3.99Å; Q272-F276 WeakPolarHBondContact O-CD1 3.42Å; Q272-F276 PolarHBondContact O-N 2.96Å; E273-F276 HydrophobicContact CB-CE1 4.49Å; E273-F276 WeakPolarHBondContact O-CD1 3.23Å; E273-F276 WeakPolarHBondContact O-CE1 3.49Å; Y274-F276 PolarHBondContact O-N 3.1Å; F276-G280 PolarHBondContact O-N 3.21Å; F276-P311 HydrophobicContact CE2-CB 4.26Å; F276-P311 HydrophobicContact CZ-CB 3.78Å; F276-P311 HydrophobicContact CZ-CG 4.14Å
277V98.8Very high97.5Very high0 Ų015.1 Ų15.10%07%0.065CC..Hα-helixtrans-60.3-55.2172.5163.10000110.4E273 Y274 A279 G280 V281 P311 M313 C314 E317E273-V277 WeakPolarHBondContact O-CB 3.37Å; E273-V277 WeakPolarHBondContact O-CG2 3.2Å; E273-V277 PolarHBondContact O-N 3.39Å; Y274-V277 PolarHBondContact O-N 3.35Å; V277-A279 PolarHBondContact O-N 3.15Å; V277-G280 PolarHBondContact O-N 3Å; V277-V281 HydrophobicContact CG1-CG2 4.46Å; V277-V281 VanDerWaalsContact O-CG2 3.31Å; V277-V281 WeakPolarHBondContact O-CG2 3.44Å; V277-V281 PolarHBondContact O-N 3.17Å; V277-P311 HydrophobicContact CG2-CB 4.09Å; V277-M313 HydrophobicContact CG1-CB 4.06Å; V277-C314 HydrophobicContact CG1-CB 4.43Å; V277-E317 HydrophobicContact CG1-CB 3.96Å; V277-E317 HydrophobicContact CG1-CG 4.32Å
278S98.8Very high97.6Very high2 Ų211.3 Ų11.31%0.0145%0.05CC..Hα-helixtrans-61.4-45.8-179.8-173.70000111.4Y274 G280 V281 Q282 E317Y274-S278 WeakPolarHBondContact O-CB 3.48Å; Y274-S278 PolarHBondContact O-N 3.2Å; S278-G280 VanDerWaalsContact C-N 3.31Å; S278-G280 PolarHBondContact O-N 2.75Å; S278-V281 PolarHBondContact O-N 3.41Å; S278-Q282 VanDerWaalsContact O-CB 3.29Å; S278-Q282 WeakPolarHBondContact O-CB 3.33Å; S278-Q282 VanDerWaalsContact O-CG 3.23Å; S278-Q282 WeakPolarHBondContact O-CG 3.49Å; S278-Q282 PolarHBondContact O-N 2.95Å; S278-Q282 PolarHBondContact OG-NE2 3.46Å; S278-E317 WeakPolarHBondContact CB-OE1 3.49Å; S278-E317 PolarHBondContact OG-OE1 3.22Å
279A98.8Very high97.6Very high0 Ų014.2 Ų14.20%06%0.061CC..Hα-helixtrans-59.3-43.9178.100000112.4V177 V179 A207 W228 F275 V277 S283V177-A279 HydrophobicContact CG2-CB 3.94Å; V179-A279 HydrophobicContact CG2-CB 4.36Å; A207-A279 HydrophobicContact CB-CB 3.42Å; A207-A279 VanDerWaalsContact CB-CB 3.42Å; W228-A279 HydrophobicContact CD2-CB 3.5Å; W228-A279 VanDerWaalsContact CD2-CB 3.5Å; W228-A279 HydrophobicContact CE3-CB 3.79Å; W228-A279 HydrophobicContact CG-CB 3.88Å; W228-A279 HydrophobicContact CH2-CB 4.2Å; W228-A279 WeakPolarHBondContact CH2-O 3.41Å; W228-A279 VanDerWaalsContact CZ2-C 3.44Å; W228-A279 HydrophobicContact CZ2-CB 3.96Å; W228-A279 VanDerWaalsContact CZ2-O 3.23Å; W228-A279 WeakPolarHBondContact CZ2-O 3.43Å; W228-A279 HydrophobicContact CZ3-CB 4.11Å; F275-A279 VanDerWaalsContact O-CB 3.3Å; F275-A279 WeakPolarHBondContact O-CB 3.46Å; F275-A279 PolarHBondContact O-N 3.44Å; V277-A279 PolarHBondContact O-N 3.15Å; A279-S283 VanDerWaalsContact O-CB 3.27Å; A279-S283 WeakPolarHBondContact O-CB 3.44Å; A279-S283 PolarHBondContact O-N 3.48Å
280G98.7Very high97.5Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-64.2-52.2178.500000113.6N136 F276 V277 S278 S283 I284N136-G280 WeakPolarHBondContact ND2-CA 3.29Å; F276-G280 PolarHBondContact O-N 3.21Å; V277-G280 PolarHBondContact O-N 3Å; S278-G280 VanDerWaalsContact C-N 3.31Å; S278-G280 PolarHBondContact O-N 2.75Å; G280-S283 WeakPolarHBondContact O-CB 3.47Å; G280-S283 PolarHBondContact O-N 3.3Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.25Å; G280-I284 PolarHBondContact O-N 3.4Å
281V98.8Very high97.3Very high0 Ų016.5 Ų16.50%08%0.075CC..Hα-helixtrans-65.8-42.9-177.4-177.10000111F64 V277 S278 S283 I284 L285 C314 E317 F318 L321F64-V281 HydrophobicContact CE1-CG2 4.43Å; F64-V281 HydrophobicContact CZ-CG2 4.22Å; V277-V281 HydrophobicContact CG1-CG2 4.46Å; V277-V281 VanDerWaalsContact O-CG2 3.31Å; V277-V281 WeakPolarHBondContact O-CG2 3.44Å; V277-V281 PolarHBondContact O-N 3.17Å; S278-V281 PolarHBondContact O-N 3.41Å; V281-S283 VanDerWaalsContact C-N 3.28Å; V281-S283 PolarHBondContact O-N 3.05Å; V281-I284 PolarHBondContact O-N 2.99Å; V281-I284 VanDerWaalsContact O-N 3.16Å; V281-L285 PolarHBondContact O-N 3.3Å; V281-C314 HydrophobicContact CG2-CB 4.47Å; V281-E317 HydrophobicContact CB-CG 4.12Å; V281-E317 HydrophobicContact CG1-CG 4.45Å; V281-E317 HydrophobicContact CG2-CG 4.37Å; V281-F318 HydrophobicContact CG1-CB 4.05Å; V281-F318 HydrophobicContact CG1-CD2 3.64Å; V281-F318 HydrophobicContact CG1-CG 4.32Å; V281-L321 HydrophobicContact CB-CD1 4.06Å; V281-L321 HydrophobicContact CG1-CD1 3.49Å; V281-L321 VanDerWaalsContact CG1-CD1 3.49Å
282Q98.7Very high97.1Very high36 Ų3625.2 Ų25.217%0.16811%0.112CC..Hα-helixtrans-58-41.9173.2-73-173.466.400111.9V177 D178 S278 I284 L285 R286 L321V177-Q282 HydrophobicContact CB-CB 4.4Å; V177-Q282 HydrophobicContact CG1-CB 4.16Å; V177-Q282 HydrophobicContact CG2-CB 4.37Å; D178-Q282 PolarHBondContact O-NE2 2.96Å; S278-Q282 VanDerWaalsContact O-CB 3.29Å; S278-Q282 WeakPolarHBondContact O-CB 3.33Å; S278-Q282 VanDerWaalsContact O-CG 3.23Å; S278-Q282 WeakPolarHBondContact O-CG 3.49Å; S278-Q282 PolarHBondContact O-N 2.95Å; S278-Q282 PolarHBondContact OG-NE2 3.46Å; Q282-I284 VanDerWaalsContact C-N 3.34Å; Q282-I284 PolarHBondContact O-N 3.22Å; Q282-L285 PolarHBondContact O-N 2.91Å; Q282-R286 WeakPolarHBondContact O-CB 3.13Å; Q282-R286 PolarHBondContact O-N 3.44Å; Q282-L321 HydrophobicContact CG-CD1 4.06Å; Q282-L321 HydrophobicContact CG-CD2 4.01Å
283S98.3Very high97Very high10 Ų1028.1 Ų28.17%0.0712%0.124CC..Hα-helixtrans-64-38.1177.5179.60000113R226 A279 G280 V281 R286 Y287R226-S283 PolarHBondContact NH1-OG 3.02Å; A279-S283 VanDerWaalsContact O-CB 3.27Å; A279-S283 WeakPolarHBondContact O-CB 3.44Å; A279-S283 PolarHBondContact O-N 3.48Å; G280-S283 WeakPolarHBondContact O-CB 3.47Å; G280-S283 PolarHBondContact O-N 3.3Å; V281-S283 VanDerWaalsContact C-N 3.28Å; V281-S283 PolarHBondContact O-N 3.05Å; S283-R286 PolarHBondContact OG-NH2 3.43Å; S283-R286 VanDerWaalsContact OG-NH2 3.09Å; S283-Y287 PolarHBondContact O-N 3.31Å; S283-Y287 VanDerWaalsContact O-N 3.12Å
284I98.1Very high97Very high2 Ų231 Ų311%0.0114%0.143CC..Hα-helixtrans-66.5-47.6177.6-70.4166.8000110.1Y62 F64 G280 V281 Q282 R286 Y287 Y288 I302 I304Y62-I284 HydrophobicContact CD1-CD1 3.89Å; Y62-I284 HydrophobicContact CD1-CG1 3.82Å; Y62-I284 HydrophobicContact CD2-CD1 3.71Å; Y62-I284 HydrophobicContact CD2-CG1 3.9Å; Y62-I284 HydrophobicContact CD2-CG2 4.29Å; Y62-I284 HydrophobicContact CE1-CD1 4.48Å; Y62-I284 HydrophobicContact CE1-CG1 3.93Å; Y62-I284 HydrophobicContact CE2-CD1 4.31Å; Y62-I284 HydrophobicContact CE2-CG1 3.99Å; Y62-I284 HydrophobicContact CE2-CG2 4.05Å; Y62-I284 HydrophobicContact CG-CD1 3.46Å; Y62-I284 VanDerWaalsContact CG-CD1 3.46Å; Y62-I284 HydrophobicContact CG-CG1 3.81Å; F64-I284 HydrophobicContact CE2-CD1 3.59Å; F64-I284 HydrophobicContact CZ-CD1 3.68Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.25Å; G280-I284 PolarHBondContact O-N 3.4Å; V281-I284 PolarHBondContact O-N 2.99Å; V281-I284 VanDerWaalsContact O-N 3.16Å; Q282-I284 VanDerWaalsContact C-N 3.34Å; Q282-I284 PolarHBondContact O-N 3.22Å; I284-R286 VanDerWaalsContact C-N 3.31Å; I284-R286 PolarHBondContact O-N 3.48Å; I284-Y287 WeakPolarHBondContact O-CB 3.15Å; I284-Y287 PolarHBondContact O-N 3.14Å; I284-Y288 PolarHBondContact O-N 3.33Å; I284-I302 HydrophobicContact CG2-CD1 4.08Å; I284-I302 HydrophobicContact CG2-CG1 4.26Å; I284-I302 HydrophobicContact CG2-CG2 3.52Å; I284-I304 HydrophobicContact CD1-CD1 3.88Å; I284-I304 HydrophobicContact CD1-CG1 3.95Å
285L97.7Very high96.9Very high5 Ų531.4 Ų31.43%0.02615%0.145CC..Hα-helixtrans-60.3-40.9176.3-72.6-175.1000112.3V281 Q282 Y287 Y288 K289 M295 I298 F318 L321V281-L285 PolarHBondContact O-N 3.3Å; Q282-L285 PolarHBondContact O-N 2.91Å; L285-Y287 VanDerWaalsContact C-N 3.29Å; L285-Y287 PolarHBondContact O-N 3.05Å; L285-Y288 PolarHBondContact O-N 2.82Å; L285-K289 WeakPolarHBondContact O-CB 3.4Å; L285-K289 VanDerWaalsContact O-CG 3.29Å; L285-K289 WeakPolarHBondContact O-CG 3.44Å; L285-K289 PolarHBondContact O-N 2.73Å; L285-M295 HydrophobicContact CD2-CE 4.31Å; L285-M295 HydrophobicContact CD2-SD 3.93Å; L285-I298 HydrophobicContact CD2-CD1 3.61Å; L285-F318 HydrophobicContact CD2-CD2 4.42Å; L285-F318 HydrophobicContact CD2-CE2 3.74Å; L285-F318 HydrophobicContact CG-CE2 4.41Å; L285-L321 HydrophobicContact CD1-CB 3.41Å; L285-L321 VanDerWaalsContact CD1-CB 3.41Å; L285-L321 HydrophobicContact CD1-CD1 3.72Å; L285-L321 HydrophobicContact CD1-CD2 4.28Å; L285-L321 HydrophobicContact CD1-CG 3.99Å
286R96.2Very high96.7Very high61 Ų6135.4 Ų35.423%0.2316%0.164CC..Hα-helixtrans-61.5-35.8174.6178.2-176.959.2-148.1-4.3112.8K175 A176 Q282 S283 I284 Q290K175-R286 VanDerWaalsContact O-CZ 3.26Å; K175-R286 PolarHBondContact O-NH1 3.39Å; K175-R286 PolarHBondContact O-NH2 3.12Å; A176-R286 PolarHBondContact O-NH1 2.97Å; Q282-R286 WeakPolarHBondContact O-CB 3.13Å; Q282-R286 PolarHBondContact O-N 3.44Å; S283-R286 PolarHBondContact OG-NH2 3.43Å; S283-R286 VanDerWaalsContact OG-NH2 3.09Å; I284-R286 VanDerWaalsContact C-N 3.31Å; I284-R286 PolarHBondContact O-N 3.48Å; R286-Q290 PolarHBondContact O-NE2 3.03Å
287Y93.9Very high96.6Very high16 Ų1638.6 Ų38.66%0.06318%0.179CC..Hα-helixtrans-68-51.1172.6167.2-100.6000110.3W50 R54 Q60 Y62 S283 I284 L285 K289 Q290 L291 I302W50-Y287 AromaticContact NE1-CE2 3.93Å; R54-Y287 HydrophobicContact CB-CE2 4.39Å; R54-Y287 HydrophobicContact CG-CE2 4.45Å; Q60-Y287 PolarHBondContact NE2-OH 2.83Å; Y62-Y287 WeakPolarHBondContact OH-CD1 3.46Å; S283-Y287 PolarHBondContact O-N 3.31Å; S283-Y287 VanDerWaalsContact O-N 3.12Å; I284-Y287 WeakPolarHBondContact O-CB 3.15Å; I284-Y287 PolarHBondContact O-N 3.14Å; L285-Y287 VanDerWaalsContact C-N 3.29Å; L285-Y287 PolarHBondContact O-N 3.05Å; Y287-K289 VanDerWaalsContact C-N 3.32Å; Y287-K289 PolarHBondContact O-N 2.89Å; Y287-Q290 VanDerWaalsContact O-CB 3.27Å; Y287-Q290 WeakPolarHBondContact O-CB 3.24Å; Y287-Q290 PolarHBondContact O-N 3.48Å; Y287-L291 HydrophobicContact CE1-CD1 4.2Å; Y287-I302 HydrophobicContact CD1-CD1 4.09Å; Y287-I302 HydrophobicContact CE1-CD1 4.24Å
288Y96.4Very high96.6Very high0 Ų038.6 Ų38.60%018%0.179CC..Hα-helixtrans-56.6-42.9-178.2-176.9-105.4000112.9I284 L285 Q290 L291 K293 P294 M295 I298 Y301 I302I284-Y288 PolarHBondContact O-N 3.33Å; L285-Y288 PolarHBondContact O-N 2.82Å; Y288-Q290 PolarHBondContact O-N 3.16Å; Y288-L291 HydrophobicContact CD2-CD1 3.97Å; Y288-L291 HydrophobicContact CE2-CD1 4.3Å; Y288-L291 VanDerWaalsContact O-CB 3.28Å; Y288-L291 WeakPolarHBondContact O-CB 3.41Å; Y288-L291 PolarHBondContact O-N 2.73Å; Y288-K293 HydrophobicContact CE2-CB 4.33Å; Y288-K293 WeakPolarHBondContact OH-CB 3.3Å; Y288-P294 PolarHBondContact OH-O 3.4Å; Y288-M295 HydrophobicContact CD1-CE 3.94Å; Y288-M295 HydrophobicContact CD1-SD 3.93Å; Y288-M295 HydrophobicContact CE1-CE 4.2Å; Y288-M295 HydrophobicContact CE1-SD 3.98Å; Y288-I298 HydrophobicContact CD1-CB 4.2Å; Y288-I298 HydrophobicContact CD1-CD1 3.66Å; Y288-I298 HydrophobicContact CD1-CG1 3.89Å; Y288-I298 HydrophobicContact CD2-CB 4.38Å; Y288-I298 HydrophobicContact CD2-CD1 4.23Å; Y288-I298 HydrophobicContact CD2-CG1 3.77Å; Y288-I298 HydrophobicContact CE1-CB 3.79Å; Y288-I298 HydrophobicContact CE1-CD1 4.14Å; Y288-I298 HydrophobicContact CE1-CG1 3.99Å; Y288-I298 HydrophobicContact CE2-CB 4Å; Y288-I298 HydrophobicContact CE2-CG1 3.88Å; Y288-I298 HydrophobicContact CG-CB 4.47Å; Y288-I298 HydrophobicContact CG-CD1 3.7Å; Y288-I298 HydrophobicContact CG-CG1 3.77Å; Y288-I298 VanDerWaalsContact CZ-CA 3.48Å; Y288-I298 WeakPolarHBondContact OH-CA 3.43Å; Y288-I298 PolarHBondContact OH-N 3.01Å; Y288-Y301 AromaticContact CE2-CD2 3.64Å; Y288-Y301 HydrophobicContact CE2-CD2 3.64Å; Y288-Y301 AromaticContact CE2-CG 3.89Å; Y288-Y301 HydrophobicContact CE2-CG 3.89Å; Y288-I302 HydrophobicContact CD2-CD1 4.41Å; Y288-I302 HydrophobicContact CD2-CG1 3.93Å; Y288-I302 HydrophobicContact CG-CG1 4.44Å
289K95.3Very high96.5Very high100 Ų10040.1 Ų40.144%0.43519%0.187SC..G310 helixtrans-56.3-25.2175-75.1175.8179.3-177.70113.8L285 Y287 L291 K292 E326L285-K289 WeakPolarHBondContact O-CB 3.4Å; L285-K289 VanDerWaalsContact O-CG 3.29Å; L285-K289 WeakPolarHBondContact O-CG 3.44Å; L285-K289 PolarHBondContact O-N 2.73Å; Y287-K289 VanDerWaalsContact C-N 3.32Å; Y287-K289 PolarHBondContact O-N 2.89Å; K289-L291 VanDerWaalsContact C-N 3.3Å; K289-K292 PolarHBondContact O-N 3.37Å; K289-E326 WeakPolarHBondContact CE-OE1 3.23Å; K289-E326 WeakPolarHBondContact CE-OE2 3.23Å; K289-E326 IonicContact NZ-OE1 2.7Å; K289-E326 PolarHBondContact NZ-OE1 2.97Å; K289-E326 IonicContact NZ-OE2 3.55Å
290Q93.3Very high96.4Very high76 Ų7645.2 Ų45.236%0.35521%0.211SC..G310 helixtrans-73.7-22.4176.3-63.4169.827.800112.9R286 Y287 Y288 K292R286-Q290 PolarHBondContact O-NE2 3.03Å; Y287-Q290 VanDerWaalsContact O-CB 3.27Å; Y287-Q290 WeakPolarHBondContact O-CB 3.24Å; Y287-Q290 PolarHBondContact O-N 3.48Å; Y288-Q290 PolarHBondContact O-N 3.16Å; Q290-K292 PolarHBondContact O-N 2.95Å
291L93.6Very high96.3Very high19 Ų1946.3 Ų46.310%0.09922%0.215CC..G310 helixtrans-73.1-15.6174.5-54-178.7000112R54 Y287 Y288 K289 K293 Y301R54-L291 HydrophobicContact CG-CD2 3.87Å; Y287-L291 HydrophobicContact CE1-CD1 4.2Å; Y288-L291 HydrophobicContact CD2-CD1 3.97Å; Y288-L291 HydrophobicContact CE2-CD1 4.3Å; Y288-L291 VanDerWaalsContact O-CB 3.28Å; Y288-L291 WeakPolarHBondContact O-CB 3.41Å; Y288-L291 PolarHBondContact O-N 2.73Å; K289-L291 VanDerWaalsContact C-N 3.3Å; L291-K293 HydrophobicContact CB-CG 4.03Å; L291-K293 PolarHBondContact O-N 3.39Å; L291-Y301 HydrophobicContact CD1-CD1 4.07Å; L291-Y301 HydrophobicContact CD1-CG 4.17Å
292K94.1Very high96.3Very high190 Ų19046.3 Ų46.383%0.82622%0.215SC*.THydrogen-bonded Turntrans55.633.5179.8-55177.7-178.11770113.2K289 Q290K289-K292 PolarHBondContact O-N 3.37Å; Q290-K292 PolarHBondContact O-N 2.95Å
293K95.5Very high96.3Very high61 Ų6144.8 Ų44.827%0.26521%0.209SC..  trans-94.6154.8174.6-60.1-67.9179160.30110.8E57 Y288 L291 Y301E57-K293 VanDerWaalsContact CD-NZ 3.27Å; E57-K293 WeakPolarHBondContact OE1-CE 3.38Å; E57-K293 IonicContact OE1-NZ 3.71Å; E57-K293 PolarHBondContact OE1-NZ 3.19Å; E57-K293 WeakPolarHBondContact OE2-CE 3.29Å; E57-K293 IonicContact OE2-NZ 3.93Å; E57-K293 PolarHBondContact OE2-NZ 3.02Å; Y288-K293 HydrophobicContact CE2-CB 4.33Å; Y288-K293 WeakPolarHBondContact OH-CB 3.3Å; L291-K293 HydrophobicContact CB-CG 4.03Å; L291-K293 PolarHBondContact O-N 3.39Å; K293-Y301 HydrophobicContact CB-CE2 4.14Å; K293-Y301 HydrophobicContact CD-CE2 4.24Å; K293-Y301 WeakPolarHBondContact CE-OH 3.42Å; K293-Y301 HydrophobicContact CG-CD2 4.49Å; K293-Y301 HydrophobicContact CG-CE2 3.79Å; K293-Y301 PolarHBondContact NZ-OH 3.46Å
294P96.4Very high96.3Very high60 Ų6044.3 Ų44.339%0.3921%0.205SC..  trans-60.3138.8174.9-21.433.6000111.8Y288 E296 E297Y288-P294 PolarHBondContact OH-O 3.4Å; P294-E296 PolarHBondContact O-N 2.72Å; P294-E296 VanDerWaalsContact O-N 3.13Å; P294-E297 HydrophobicContact CB-CG 4.4Å; P294-E297 PolarHBondContact O-N 2.78Å
295M96.1Very high96.3Very high21 Ų2144.2 Ų44.210%0.10321%0.205CC..G310 helixtrans-60.1-28.3-178.2-167.160.159.700112.9L285 Y288 E297 I298 L322 E326 M328L285-M295 HydrophobicContact CD2-CE 4.31Å; L285-M295 HydrophobicContact CD2-SD 3.93Å; Y288-M295 HydrophobicContact CD1-CE 3.94Å; Y288-M295 HydrophobicContact CD1-SD 3.93Å; Y288-M295 HydrophobicContact CE1-CE 4.2Å; Y288-M295 HydrophobicContact CE1-SD 3.98Å; M295-E297 PolarHBondContact O-N 3.31Å; M295-I298 WeakPolarHBondContact O-CB 3.46Å; M295-I298 WeakPolarHBondContact O-CG2 3.32Å; M295-I298 PolarHBondContact O-N 2.78Å; M295-I298 HydrophobicContact SD-CB 4.37Å; M295-I298 HydrophobicContact SD-CD1 3.8Å; M295-L322 HydrophobicContact CG-CD2 3.53Å; M295-L322 HydrophobicContact SD-CD2 3.7Å; M295-E326 HydrophobicContact CE-CG 3.85Å; M295-E326 WeakPolarHBondContact CE-OE2 3.49Å; M295-E326 HydrophobicContact CG-CG 4.36Å; M295-E326 HydrophobicContact SD-CG 4.49Å; M295-M328 HydrophobicContact CB-SD 3.95Å; M295-M328 HydrophobicContact CG-SD 3.46Å; M295-M328 WeakPolarHBondContact CG-SD 3.27Å
296E95.1Very high96.4Very high85 Ų8544 Ų4440%0.39720%0.204SC..G310 helixtrans-62.2-18.2174-66.387.9164.900114.3P294 M328 R332P294-E296 PolarHBondContact O-N 2.72Å; P294-E296 VanDerWaalsContact O-N 3.13Å; E296-M328 HydrophobicContact CG-CE 4.09Å; E296-R332 IonicContact OE1-NH1 3.21Å
297E96.4Very high96.4Very high67 Ų6741.1 Ų41.131%0.31319%0.193SC..G310 helixtrans-100.96-179.2-62.9175.9-166.900112.6P294 M295 N299 Q300 Y301P294-E297 HydrophobicContact CB-CG 4.4Å; P294-E297 PolarHBondContact O-N 2.78Å; M295-E297 PolarHBondContact O-N 3.31Å; E297-N299 PolarHBondContact O-N 3Å; E297-N299 VanDerWaalsContact O-N 3.15Å; E297-N299 PolarHBondContact O-OD1 3.27Å; E297-Q300 VanDerWaalsContact O-CB 3.32Å; E297-Q300 WeakPolarHBondContact O-CB 3.48Å; E297-Q300 PolarHBondContact O-N 2.93Å; E297-Y301 HydrophobicContact CB-CE2 4.45Å; E297-Y301 WeakPolarHBondContact O-CD2 3.48Å
298I97.7Very high96.5Very high0 Ų041.3 Ų41.30%020%0.195CC..G310 helixtrans-59.2-31-172.7-171.9165.8000113.7L285 Y288 M295 Q300 Y301 I302 F318 V336 V340L285-I298 HydrophobicContact CD2-CD1 3.61Å; Y288-I298 HydrophobicContact CD1-CB 4.2Å; Y288-I298 HydrophobicContact CD1-CD1 3.66Å; Y288-I298 HydrophobicContact CD1-CG1 3.89Å; Y288-I298 HydrophobicContact CD2-CB 4.38Å; Y288-I298 HydrophobicContact CD2-CD1 4.23Å; Y288-I298 HydrophobicContact CD2-CG1 3.77Å; Y288-I298 HydrophobicContact CE1-CB 3.79Å; Y288-I298 HydrophobicContact CE1-CD1 4.14Å; Y288-I298 HydrophobicContact CE1-CG1 3.99Å; Y288-I298 HydrophobicContact CE2-CB 4Å; Y288-I298 HydrophobicContact CE2-CG1 3.88Å; Y288-I298 HydrophobicContact CG-CB 4.47Å; Y288-I298 HydrophobicContact CG-CD1 3.7Å; Y288-I298 HydrophobicContact CG-CG1 3.77Å; Y288-I298 VanDerWaalsContact CZ-CA 3.48Å; Y288-I298 WeakPolarHBondContact OH-CA 3.43Å; Y288-I298 PolarHBondContact OH-N 3.01Å; M295-I298 WeakPolarHBondContact O-CB 3.46Å; M295-I298 WeakPolarHBondContact O-CG2 3.32Å; M295-I298 PolarHBondContact O-N 2.78Å; M295-I298 HydrophobicContact SD-CB 4.37Å; M295-I298 HydrophobicContact SD-CD1 3.8Å; I298-Q300 PolarHBondContact O-N 3.35Å; I298-Y301 CarbonylContact O-C 3.49Å; I298-Y301 PolarHBondContact O-N 2.95Å; I298-I302 HydrophobicContact CD1-CG1 4.17Å; I298-I302 HydrophobicContact CG1-CB 3.89Å; I298-I302 HydrophobicContact CG1-CG1 3.59Å; I298-I302 WeakPolarHBondContact O-CB 3.38Å; I298-I302 PolarHBondContact O-N 3.27Å; I298-F318 HydrophobicContact CD1-CE2 4.06Å; I298-F318 HydrophobicContact CD1-CZ 3.99Å; I298-F318 HydrophobicContact CG2-CZ 4.08Å; I298-V336 HydrophobicContact CG2-CG1 3.12Å; I298-V340 HydrophobicContact CG2-CG2 4.05Å
299N96.7Very high96.4Very high33 Ų3341.4 Ų41.418%0.17620%0.196CC..G310 helixtrans-62-22.5175.467.6-39000113.7K59 E297 Y301 E339 V340K59-N299 WeakPolarHBondContact CE-O 3.4Å; K59-N299 PolarHBondContact NZ-O 3.43Å; E297-N299 PolarHBondContact O-N 3Å; E297-N299 VanDerWaalsContact O-N 3.15Å; E297-N299 PolarHBondContact O-OD1 3.27Å; N299-Y301 VanDerWaalsContact C-N 3.26Å; N299-E339 HydrophobicContact CB-CB 3.71Å; N299-E339 PolarHBondContact ND2-OE2 3.41Å; N299-V340 HydrophobicContact CB-CG2 3.96Å
300Q96.6Very high96.5Very high108 Ų10837.3 Ų37.351%0.50518%0.178SC..G310 helixtrans-75.9-17.2174.3-56.8-179.725.200112.2K59 E297 I298K59-Q300 WeakPolarHBondContact CB-O 3.34Å; K59-Q300 WeakPolarHBondContact CD-O 3.31Å; K59-Q300 WeakPolarHBondContact CG-O 3.27Å; E297-Q300 VanDerWaalsContact O-CB 3.32Å; E297-Q300 WeakPolarHBondContact O-CB 3.48Å; E297-Q300 PolarHBondContact O-N 2.93Å; I298-Q300 PolarHBondContact O-N 3.35Å
301Y97.4Very high96.7Very high22 Ų2233.7 Ų33.79%0.08616%0.161CC..THydrogen-bonded Turntrans-121.5-18.5-173.1-63-77.8000113.6E57 K59 Q60 Y288 L291 K293 E297 I298 N299E57-Y301 HydrophobicContact CB-CD1 4.3Å; E57-Y301 HydrophobicContact CB-CE1 3.7Å; E57-Y301 VanDerWaalsContact O-CD1 3.3Å; E57-Y301 WeakPolarHBondContact O-CD1 3.4Å; E57-Y301 WeakPolarHBondContact O-CE1 3.19Å; E57-Y301 PolarHBondContact OE2-OH 3.25Å; K59-Y301 CarbonylContact C-O 3.57Å; K59-Y301 WeakPolarHBondContact CA-O 3.43Å; Q60-Y301 PolarHBondContact N-O 2.84Å; Y288-Y301 AromaticContact CE2-CD2 3.64Å; Y288-Y301 HydrophobicContact CE2-CD2 3.64Å; Y288-Y301 AromaticContact CE2-CG 3.89Å; Y288-Y301 HydrophobicContact CE2-CG 3.89Å; L291-Y301 HydrophobicContact CD1-CD1 4.07Å; L291-Y301 HydrophobicContact CD1-CG 4.17Å; K293-Y301 HydrophobicContact CB-CE2 4.14Å; K293-Y301 HydrophobicContact CD-CE2 4.24Å; K293-Y301 WeakPolarHBondContact CE-OH 3.42Å; K293-Y301 HydrophobicContact CG-CD2 4.49Å; K293-Y301 HydrophobicContact CG-CE2 3.79Å; K293-Y301 PolarHBondContact NZ-OH 3.46Å; E297-Y301 HydrophobicContact CB-CE2 4.45Å; E297-Y301 WeakPolarHBondContact O-CD2 3.48Å; I298-Y301 CarbonylContact O-C 3.49Å; I298-Y301 PolarHBondContact O-N 2.95Å; N299-Y301 VanDerWaalsContact C-N 3.26Å
302I98.3Very high96.9Very high0 Ų032.8 Ų32.80%016%0.157CC..EExtended strand (participates in β ladder)trans-135.6130.9-172.6-54.4-63.6000109.8Q60 Y62 I284 Y287 Y288 I298 I304 V340Q60-I302 WeakPolarHBondContact O-CA 3.37Å; Y62-I302 HydrophobicContact CD2-CG2 4.05Å; Y62-I302 HydrophobicContact CE2-CD1 3.76Å; Y62-I302 HydrophobicContact CE2-CG2 4.08Å; I284-I302 HydrophobicContact CG2-CD1 4.08Å; I284-I302 HydrophobicContact CG2-CG1 4.26Å; I284-I302 HydrophobicContact CG2-CG2 3.52Å; Y287-I302 HydrophobicContact CD1-CD1 4.09Å; Y287-I302 HydrophobicContact CE1-CD1 4.24Å; Y288-I302 HydrophobicContact CD2-CD1 4.41Å; Y288-I302 HydrophobicContact CD2-CG1 3.93Å; Y288-I302 HydrophobicContact CG-CG1 4.44Å; I298-I302 HydrophobicContact CD1-CG1 4.17Å; I298-I302 HydrophobicContact CG1-CB 3.89Å; I298-I302 HydrophobicContact CG1-CG1 3.59Å; I298-I302 WeakPolarHBondContact O-CB 3.38Å; I298-I302 PolarHBondContact O-N 3.27Å; I302-I304 HydrophobicContact CG2-CG1 4.19Å; I302-V340 HydrophobicContact CG2-CG1 4.25Å
303A98.7Very high97.1Very high4 Ų423.8 Ų23.83%0.03312%0.117CC..EExtended strand (participates in β ladder)trans-120.9133.1163.600000109.4Q60 A61 Y62 W790Q60-A303 PolarHBondContact O-N 3.36Å; A61-A303 CarbonylContact C-O 3.18Å; A61-A303 WeakPolarHBondContact CA-O 3.47Å; A61-A303 HydrophobicContact CB-CB 4.42Å; Y62-A303 PolarHBondContact N-O 2.97Å; A303-W790 HydrophobicContact CB-CB 4.28Å
304I98.8Very high97.3Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-111.9125.7173.7-66.3175.2000108.2F64 I284 I302 C314 V340 M341 S342F64-I304 HydrophobicContact CD2-CG2 3.72Å; F64-I304 HydrophobicContact CE2-CG1 4.33Å; F64-I304 HydrophobicContact CE2-CG2 3.73Å; I284-I304 HydrophobicContact CD1-CD1 3.88Å; I284-I304 HydrophobicContact CD1-CG1 3.95Å; I302-I304 HydrophobicContact CG2-CG1 4.19Å; I304-C314 HydrophobicContact CG2-CB 4.38Å; I304-V340 HydrophobicContact CB-CG1 4.03Å; I304-V340 HydrophobicContact CD1-CG1 3.98Å; I304-V340 HydrophobicContact CG1-CG1 3.84Å; I304-V340 PolarHBondContact N-O 3.04Å; I304-M341 HydrophobicContact CB-CE 4.31Å; I304-M341 HydrophobicContact CB-SD 3.66Å; I304-M341 HydrophobicContact CD1-CE 3.84Å; I304-M341 HydrophobicContact CD1-SD 4.35Å; I304-M341 HydrophobicContact CG2-CE 4.32Å; I304-M341 HydrophobicContact CG2-SD 3.57Å; I304-M341 VanDerWaalsContact CG2-SD 3.57Å; I304-M341 WeakPolarHBondContact O-CA 3.35Å; I304-S342 PolarHBondContact O-N 2.83Å; I304-S342 PolarHBondContact O-OG 3.07Å
305H98.8Very high97.4Very high1 Ų118 Ų181%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-110.7118.9179.6-164.674.7000110.6Y62 Y63 F64 S342 T344 Y785 W790Y62-H305 PolarHBondContact O-N 3.27Å; Y63-H305 HydrophobicContact CD2-CB 4.13Å; Y63-H305 AromaticContact CD2-CD2 3.49Å; Y63-H305 VanDerWaalsContact CD2-CD2 3.49Å; Y63-H305 WeakPolarHBondContact CD2-CD2 3.4Å; Y63-H305 AromaticContact CE2-CD2 3.27Å; Y63-H305 WeakPolarHBondContact CE2-CD2 3.34Å; Y63-H305 AromaticContact CE2-NE2 3.91Å; F64-H305 PolarHBondContact N-O 2.91Å; H305-S342 PolarHBondContact ND1-OG 2.82Å; H305-T344 PolarHBondContact CE1-OG1 2.77Å; H305-T344 PolarHBondContact NE2-OG1 2.87Å; H305-Y785 AromaticContact CE1-CE1 3.63Å; H305-Y785 AromaticContact NE2-CE1 3.81Å; H305-W790 HydrophobicContact CB-CZ2 4.39Å; H305-W790 AromaticContact CG-NE1 3.45Å; H305-W790 AromaticContact ND1-NE1 3.18Å; H305-W790 PolarHBondContact ND1-NE1 3.45Å; H305-W790 VanDerWaalsContact ND1-NE1 3.18Å
306I98.7Very high97.5Very high0 Ų017 Ų170%08%0.081CC..EExtended strand (participates in β ladder)trans-90.3107.7-179.7-60.4173.9000107.8D308 P311 C314 V315 M341 S342 Y343 T344I306-D308 VanDerWaalsContact CG2-O 3.25Å; I306-D308 WeakPolarHBondContact CG2-O 3.23Å; I306-P311 HydrophobicContact CG2-CB 4.2Å; I306-P311 HydrophobicContact CG2-CG 3.94Å; I306-C314 HydrophobicContact CD1-CB 4.17Å; I306-C314 HydrophobicContact CG1-CB 4.24Å; I306-V315 HydrophobicContact CD1-CG2 3.96Å; I306-M341 HydrophobicContact CD1-SD 4.2Å; I306-S342 WeakPolarHBondContact CB-O 3.39Å; I306-S342 PolarHBondContact N-O 2.76Å; I306-Y343 HydrophobicContact CB-CD2 4.31Å; I306-Y343 HydrophobicContact CG2-CD2 3.94Å; I306-T344 PolarHBondContact O-N 3.16Å
307N97.4Very high97.7Very high0 Ų013 Ų130%06%0.062CC..EExtended strand (participates in β ladder)trans-91.7101.9178.8-167.235.7000111.1Y63 F64 S65 L115 H346Y63-N307 HydrophobicContact CE1-CB 3.87Å; Y63-N307 PolarHBondContact OH-ND2 3.39Å; Y63-N307 PolarHBondContact OH-OD1 2.91Å; F64-N307 WeakPolarHBondContact O-CB 3.22Å; F64-N307 PolarHBondContact O-N 3.14Å; S65-N307 PolarHBondContact OG-ND2 2.88Å; S65-N307 VanDerWaalsContact OG-ND2 3.14Å; L115-N307 WeakPolarHBondContact CD1-ND2 3.4Å; L115-N307 WeakPolarHBondContact CD1-OD1 3.45Å; N307-H346 PolarHBondContact OD1-CD2 3.23Å; N307-H346 VanDerWaalsContact OD1-CD2 3.27Å; N307-H346 PolarHBondContact OD1-NE2 3.12Å
308D94.7Very high97.8Very high20 Ų209.8 Ų9.811%0.1075%0.047CC..SBendtrans63.2-172.8-170.1-145.7-15.3000113.4L115 I306 H310 P311 T344L115-D308 HydrophobicContact CD1-CB 4.46Å; L115-D308 HydrophobicContact CD2-CB 4.42Å; I306-D308 VanDerWaalsContact CG2-O 3.25Å; I306-D308 WeakPolarHBondContact CG2-O 3.23Å; D308-H310 PolarHBondContact O-N 3.37Å; D308-H310 IonicContact OD2-CE1 3.42Å; D308-P311 WeakPolarHBondContact O-CD 3.44Å; D308-T344 WeakPolarHBondContact CA-O 3.47Å; D308-T344 PolarHBondContact N-O 3.48Å
309T95.9Very high97.9Very high3 Ų39.8 Ų9.82%0.0185%0.047CC..SBendtrans-75.8-18.2-172.255.10000115.1A312 L353 E354 A406T309-A312 WeakPolarHBondContact O-CB 3.39Å; T309-A312 PolarHBondContact O-N 2.88Å; T309-L353 HydrophobicContact CG2-CD2 4.4Å; T309-E354 VanDerWaalsContact OG1-CB 3.29Å; T309-E354 WeakPolarHBondContact OG1-CB 3.38Å; T309-A406 HydrophobicContact CG2-CB 3.83Å
310H95.8Very high98Very high14 Ų149.1 Ų9.17%0.0654%0.042CC..THydrogen-bonded Turntrans-53.3-42.7-175.6-39.196.7000114.2I66 Y257 E273 D308I66-H310 HydrophobicContact CB-CB 3.92Å; I66-H310 HydrophobicContact CD1-CB 3.94Å; I66-H310 HydrophobicContact CG2-CB 4.12Å; Y257-H310 AromaticContact CE1-NE2 3.77Å; E273-H310 HydrophobicContact CG-CB 4.29Å; D308-H310 PolarHBondContact O-N 3.37Å; D308-H310 IonicContact OD2-CE1 3.42Å
311P98.1Very high98Very high0 Ų04 Ų40%02%0.019CC..THydrogen-bonded Turntrans-92.315.817614.15.6000113.4F64 F276 V277 I306 D308 M313 C314F64-P311 HydrophobicContact CB-CB 3.7Å; F64-P311 HydrophobicContact CB-CG 3.91Å; F64-P311 HydrophobicContact CD1-CB 4.47Å; F64-P311 HydrophobicContact CG-CB 4.46Å; F64-P311 WeakPolarHBondContact O-CG 3.4Å; F276-P311 HydrophobicContact CE2-CB 4.26Å; F276-P311 HydrophobicContact CZ-CB 3.78Å; F276-P311 HydrophobicContact CZ-CG 4.14Å; V277-P311 HydrophobicContact CG2-CB 4.09Å; I306-P311 HydrophobicContact CG2-CB 4.2Å; I306-P311 HydrophobicContact CG2-CG 3.94Å; D308-P311 WeakPolarHBondContact O-CD 3.44Å; P311-M313 PolarHBondContact O-N 3.45Å; P311-M313 VanDerWaalsContact O-N 3.09Å; P311-C314 WeakPolarHBondContact O-CB 3.13Å; P311-C314 PolarHBondContact O-N 3.25Å; P311-C314 PolarHBondContact O-SG 3.04Å
312A98.3Very high98.1Very high0 Ų03 Ų30%02%0.015CC..THydrogen-bonded Turntrans-58.4-27.9-176.600000113T309 C314 V315 M405 L408 A409T309-A312 WeakPolarHBondContact O-CB 3.39Å; T309-A312 PolarHBondContact O-N 2.88Å; A312-C314 PolarHBondContact O-N 3.33Å; A312-C314 VanDerWaalsContact O-N 3.11Å; A312-V315 PolarHBondContact O-N 2.98Å; A312-M405 HydrophobicContact CB-CB 4.01Å; A312-M405 HydrophobicContact CB-CE 3.93Å; A312-M405 WeakPolarHBondContact CB-O 3.29Å; A312-L408 WeakPolarHBondContact O-CD2 3.33Å; A312-A409 HydrophobicContact CB-CB 4.02Å
313M98.7Very high98Very high0 Ų04.3 Ų4.30%02%0.021CC..THydrogen-bonded Turntrans-62.2-12.4173.1-72.2-174.7-79.900113.9L270 E273 Y274 V277 P311 V315 A316 E317 M361 I368 M405L270-M313 HydrophobicContact CD1-CE 3.58Å; L270-M313 HydrophobicContact CD1-SD 4.01Å; E273-M313 HydrophobicContact CB-CE 3.65Å; Y274-M313 HydrophobicContact CD2-SD 4.09Å; Y274-M313 HydrophobicContact CG-SD 4.41Å; V277-M313 HydrophobicContact CG1-CB 4.06Å; P311-M313 PolarHBondContact O-N 3.45Å; P311-M313 VanDerWaalsContact O-N 3.09Å; M313-V315 PolarHBondContact O-N 3.48Å; M313-A316 PolarHBondContact O-N 3.06Å; M313-A316 VanDerWaalsContact O-N 3.12Å; M313-E317 WeakPolarHBondContact O-CB 3.36Å; M313-E317 PolarHBondContact O-N 3.41Å; M313-M361 HydrophobicContact SD-CE 4.31Å; M313-I368 HydrophobicContact CG-CG2 4.38Å; M313-I368 HydrophobicContact SD-CG2 4.42Å; M313-M405 HydrophobicContact CG-CE 3.53Å
314C98.9Very high97.9Very high0 Ų04.6 Ų4.60%02%0.022CC..Hα-helixtrans-51-38.5171.1-79.40000111.6V277 V281 I304 I306 P311 A312 F318 M341V277-C314 HydrophobicContact CG1-CB 4.43Å; V281-C314 HydrophobicContact CG2-CB 4.47Å; I304-C314 HydrophobicContact CG2-CB 4.38Å; I306-C314 HydrophobicContact CD1-CB 4.17Å; I306-C314 HydrophobicContact CG1-CB 4.24Å; P311-C314 WeakPolarHBondContact O-CB 3.13Å; P311-C314 PolarHBondContact O-N 3.25Å; P311-C314 PolarHBondContact O-SG 3.04Å; A312-C314 PolarHBondContact O-N 3.33Å; A312-C314 VanDerWaalsContact O-N 3.11Å; C314-F318 WeakPolarHBondContact O-CB 3.35Å; C314-F318 PolarHBondContact O-N 3.5Å; C314-M341 HydrophobicContact CB-CE 4.08Å; C314-M341 HydrophobicContact CB-SD 4.01Å; C314-M341 WeakPolarHBondContact O-CE 3.48Å
315V98.9Very high97.7Very high0 Ų09.1 Ų9.10%04%0.043CC..Hα-helixtrans-57.7-54.8177.11770000110.7I306 A312 M313 M319 W334 T337 M341 I375 L408I306-V315 HydrophobicContact CD1-CG2 3.96Å; A312-V315 PolarHBondContact O-N 2.98Å; M313-V315 PolarHBondContact O-N 3.48Å; V315-M319 WeakPolarHBondContact O-CG 3.37Å; V315-M319 PolarHBondContact O-N 3.43Å; V315-M319 VanDerWaalsContact O-N 3.14Å; V315-W334 HydrophobicContact CG1-CH2 4.17Å; V315-W334 HydrophobicContact CG1-CZ3 3.78Å; V315-T337 HydrophobicContact CG1-CG2 4.01Å; V315-M341 HydrophobicContact CG2-CG 4.38Å; V315-I375 HydrophobicContact CG1-CD1 4.25Å; V315-L408 HydrophobicContact CB-CD1 4.04Å; V315-L408 HydrophobicContact CB-CG 4.17Å; V315-L408 HydrophobicContact CG1-CD1 3.82Å; V315-L408 HydrophobicContact CG1-CG 4.45Å
316A98.8Very high97.5Very high0 Ų011.4 Ų11.40%05%0.054CC..Hα-helixtrans-76.2-33.7-174.500000113.1M313 R320 I368 I371 I372M313-A316 PolarHBondContact O-N 3.06Å; M313-A316 VanDerWaalsContact O-N 3.12Å; A316-R320 WeakPolarHBondContact O-CB 3.33Å; A316-R320 PolarHBondContact O-N 3.17Å; A316-I368 HydrophobicContact CB-CG2 3.63Å; A316-I371 HydrophobicContact CB-CG2 4.07Å; A316-I372 HydrophobicContact CB-CD1 4.18Å; A316-I372 HydrophobicContact CB-CG1 3.68Å
317E98.8Very high97.2Very high0 Ų017.2 Ų17.20%08%0.08CC..Hα-helixtrans-68.9-39.5174.7174.865.3-179.800111.9Y274 V277 S278 V281 M313 R320 L321 I368Y274-E317 HydrophobicContact CE2-CB 4.43Å; Y274-E317 WeakPolarHBondContact CE2-OE2 3.35Å; Y274-E317 PolarHBondContact OH-OE2 3.49Å; V277-E317 HydrophobicContact CG1-CB 3.96Å; V277-E317 HydrophobicContact CG1-CG 4.32Å; S278-E317 WeakPolarHBondContact CB-OE1 3.49Å; S278-E317 PolarHBondContact OG-OE1 3.22Å; V281-E317 HydrophobicContact CB-CG 4.12Å; V281-E317 HydrophobicContact CG1-CG 4.45Å; V281-E317 HydrophobicContact CG2-CG 4.37Å; M313-E317 WeakPolarHBondContact O-CB 3.36Å; M313-E317 PolarHBondContact O-N 3.41Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 3.18Å; E317-R320 IonicContact OE1-CZ 3.15Å; E317-R320 IonicContact OE1-NE 3.61Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 2.92Å; E317-R320 IonicContact OE2-CZ 2.83Å; E317-R320 IonicContact OE2-NE 3.64Å; E317-R320 PolarHBondContact OE2-NE 3.28Å; E317-R320 IonicContact OE2-NH2 3.5Å; E317-L321 HydrophobicContact CG-CD1 4.03Å; E317-L321 WeakPolarHBondContact O-CG 3.34Å; E317-L321 PolarHBondContact O-N 3.19Å; E317-I368 HydrophobicContact CB-CD1 4.22Å; E317-I368 WeakPolarHBondContact OE2-CD1 3.4Å
318F98.8Very high97.1Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-63.8-46.2175-169.8-122.8000110.6V281 L285 I298 C314 R320 L321 L322 V336 T337 V340 M341V281-F318 HydrophobicContact CG1-CB 4.05Å; V281-F318 HydrophobicContact CG1-CD2 3.64Å; V281-F318 HydrophobicContact CG1-CG 4.32Å; L285-F318 HydrophobicContact CD2-CD2 4.42Å; L285-F318 HydrophobicContact CD2-CE2 3.74Å; L285-F318 HydrophobicContact CG-CE2 4.41Å; I298-F318 HydrophobicContact CD1-CE2 4.06Å; I298-F318 HydrophobicContact CD1-CZ 3.99Å; I298-F318 HydrophobicContact CG2-CZ 4.08Å; C314-F318 WeakPolarHBondContact O-CB 3.35Å; C314-F318 PolarHBondContact O-N 3.5Å; F318-R320 VanDerWaalsContact C-N 3.31Å; F318-R320 PolarHBondContact O-N 2.84Å; F318-L321 PolarHBondContact O-N 2.87Å; F318-L322 HydrophobicContact CD1-CD1 3.91Å; F318-L322 HydrophobicContact CD1-CG 4.48Å; F318-L322 HydrophobicContact CE1-CD1 3.67Å; F318-L322 HydrophobicContact CE1-CG 4.4Å; F318-L322 HydrophobicContact CE2-CD2 4.32Å; F318-L322 HydrophobicContact CE2-CG 4.48Å; F318-L322 HydrophobicContact CG-CD1 4.46Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.29Å; F318-L322 HydrophobicContact CZ-CG 4.4Å; F318-L322 VanDerWaalsContact O-CG 3.31Å; F318-L322 WeakPolarHBondContact O-CG 3.43Å; F318-L322 PolarHBondContact O-N 3.46Å; F318-V336 HydrophobicContact CE1-CG1 3.99Å; F318-V336 HydrophobicContact CZ-CG1 4.24Å; F318-T337 HydrophobicContact CD1-CG2 4.07Å; F318-T337 WeakPolarHBondContact CD1-OG1 3.34Å; F318-V340 HydrophobicContact CE1-CB 4.13Å; F318-V340 HydrophobicContact CE1-CG1 4.33Å; F318-V340 HydrophobicContact CE1-CG2 4.07Å; F318-V340 HydrophobicContact CZ-CB 4.49Å; F318-V340 HydrophobicContact CZ-CG1 4.38Å; F318-V340 HydrophobicContact CZ-CG2 4.13Å; F318-M341 HydrophobicContact CB-CE 3.52Å; F318-M341 HydrophobicContact CD1-CE 3.83Å; F318-M341 HydrophobicContact CG-CE 3.77Å
319M98.7Very high97.1Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-54.7-44.4170.8-78.4-66.4-7800112.7V315 L321 L322 I323 W330 A333 W334 T337 I371V315-M319 WeakPolarHBondContact O-CG 3.37Å; V315-M319 PolarHBondContact O-N 3.43Å; V315-M319 VanDerWaalsContact O-N 3.14Å; M319-L321 VanDerWaalsContact C-N 3.34Å; M319-L321 PolarHBondContact O-N 2.89Å; M319-L322 PolarHBondContact O-N 3.18Å; M319-I323 HydrophobicContact CE-CD1 3.75Å; M319-I323 WeakPolarHBondContact O-CB 3.47Å; M319-I323 WeakPolarHBondContact O-CG1 3.24Å; M319-I323 PolarHBondContact O-N 2.76Å; M319-W330 HydrophobicContact CE-CD2 3.75Å; M319-W330 HydrophobicContact CE-CE3 3.95Å; M319-W330 HydrophobicContact CE-CG 4.41Å; M319-W330 HydrophobicContact CE-CH2 3.79Å; M319-W330 HydrophobicContact CE-CZ2 3.59Å; M319-W330 HydrophobicContact CE-CZ3 3.96Å; M319-A333 HydrophobicContact CE-CB 4.25Å; M319-A333 HydrophobicContact SD-CB 3.76Å; M319-W334 HydrophobicContact CE-CB 3.89Å; M319-W334 HydrophobicContact CE-CE3 3.95Å; M319-W334 HydrophobicContact CG-CE3 4.02Å; M319-W334 HydrophobicContact CG-CZ3 4.37Å; M319-W334 VanDerWaalsContact SD-CA 3.53Å; M319-W334 HydrophobicContact SD-CB 4.14Å; M319-W334 HydrophobicContact SD-CE3 3.87Å; M319-W334 PolarHBondContact SD-N 3Å; M319-W334 VanDerWaalsContact SD-N 3.42Å; M319-T337 HydrophobicContact CG-CG2 4.17Å; M319-T337 PolarHBondContact SD-OG1 3.42Å; M319-I371 HydrophobicContact CB-CG2 3.72Å; M319-I371 HydrophobicContact CG-CG2 4.5Å
320R98.4Very high97.1Very high19 Ų1921.1 Ų21.17%0.07211%0.108CC..Hα-helixtrans-56.6-49.9177.4-170.1-165.262.674.5-5.3110.9A316 E317 F318 I323 D324 E325 R367 I368 I371A316-R320 WeakPolarHBondContact O-CB 3.33Å; A316-R320 PolarHBondContact O-N 3.17Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 3.18Å; E317-R320 IonicContact OE1-CZ 3.15Å; E317-R320 IonicContact OE1-NE 3.61Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 2.92Å; E317-R320 IonicContact OE2-CZ 2.83Å; E317-R320 IonicContact OE2-NE 3.64Å; E317-R320 PolarHBondContact OE2-NE 3.28Å; E317-R320 IonicContact OE2-NH2 3.5Å; F318-R320 VanDerWaalsContact C-N 3.31Å; F318-R320 PolarHBondContact O-N 2.84Å; R320-I323 PolarHBondContact O-N 3.29Å; R320-D324 VanDerWaalsContact CG-OD2 3.24Å; R320-D324 WeakPolarHBondContact CG-OD2 3.14Å; R320-D324 WeakPolarHBondContact O-CA 3.06Å; R320-D324 WeakPolarHBondContact O-CB 3.34Å; R320-D324 PolarHBondContact O-N 3.48Å; R320-E325 IonicContact CZ-OE1 3.14Å; R320-E325 IonicContact NH1-OE1 3.67Å; R320-E325 PolarHBondContact NH1-OE1 2.95Å; R320-E325 IonicContact NH2-OE1 3.67Å; R320-E325 PolarHBondContact NH2-OE1 3.17Å; R320-R367 HydrophobicContact CG-CG 3.84Å; R320-I368 HydrophobicContact CB-CD1 4.22Å; R320-I371 HydrophobicContact CB-CD1 3.34Å; R320-I371 HydrophobicContact CG-CD1 3.74Å
321L98.1Very high97.2Very high1 Ų126.1 Ų26.11%0.00513%0.131CC..Iπ-helixtrans-65.3-45.3-178-71160.6000111.6V281 Q282 L285 E317 F318 M319 I323 E325 E326V281-L321 HydrophobicContact CB-CD1 4.06Å; V281-L321 HydrophobicContact CG1-CD1 3.49Å; V281-L321 VanDerWaalsContact CG1-CD1 3.49Å; Q282-L321 HydrophobicContact CG-CD1 4.06Å; Q282-L321 HydrophobicContact CG-CD2 4.01Å; L285-L321 HydrophobicContact CD1-CB 3.41Å; L285-L321 VanDerWaalsContact CD1-CB 3.41Å; L285-L321 HydrophobicContact CD1-CD1 3.72Å; L285-L321 HydrophobicContact CD1-CD2 4.28Å; L285-L321 HydrophobicContact CD1-CG 3.99Å; E317-L321 HydrophobicContact CG-CD1 4.03Å; E317-L321 WeakPolarHBondContact O-CG 3.34Å; E317-L321 PolarHBondContact O-N 3.19Å; F318-L321 PolarHBondContact O-N 2.87Å; M319-L321 VanDerWaalsContact C-N 3.34Å; M319-L321 PolarHBondContact O-N 2.89Å; L321-I323 VanDerWaalsContact C-N 3.35Å; L321-I323 PolarHBondContact O-N 2.92Å; L321-E325 VanDerWaalsContact CD2-CD 3.47Å; L321-E325 HydrophobicContact CD2-CG 4.41Å; L321-E325 VanDerWaalsContact CD2-OE1 3.28Å; L321-E325 WeakPolarHBondContact CD2-OE1 3.31Å; L321-E325 WeakPolarHBondContact O-CA 3.4Å; L321-E325 WeakPolarHBondContact O-CB 3.4Å; L321-E325 PolarHBondContact O-N 3.07Å; L321-E326 PolarHBondContact O-N 3.34Å
322L98Very high97.1Very high0 Ų033.7 Ų33.70%016%0.16CC..Iπ-helixtrans-61.8-40.7178.7-65.5-176000112.4M295 F318 M319 E326 K327 M328 A333 V336M295-L322 HydrophobicContact CG-CD2 3.53Å; M295-L322 HydrophobicContact SD-CD2 3.7Å; F318-L322 HydrophobicContact CD1-CD1 3.91Å; F318-L322 HydrophobicContact CD1-CG 4.48Å; F318-L322 HydrophobicContact CE1-CD1 3.67Å; F318-L322 HydrophobicContact CE1-CG 4.4Å; F318-L322 HydrophobicContact CE2-CD2 4.32Å; F318-L322 HydrophobicContact CE2-CG 4.48Å; F318-L322 HydrophobicContact CG-CD1 4.46Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.29Å; F318-L322 HydrophobicContact CZ-CG 4.4Å; F318-L322 VanDerWaalsContact O-CG 3.31Å; F318-L322 WeakPolarHBondContact O-CG 3.43Å; F318-L322 PolarHBondContact O-N 3.46Å; M319-L322 PolarHBondContact O-N 3.18Å; L322-E326 HydrophobicContact CD2-CG 4.29Å; L322-E326 CarbonylContact O-C 3.31Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; L322-K327 PolarHBondContact O-N 3.44Å; L322-K327 VanDerWaalsContact O-N 3.14Å; L322-M328 HydrophobicContact CB-CB 4.5Å; L322-M328 HydrophobicContact CB-SD 3.98Å; L322-M328 HydrophobicContact CD1-SD 4.24Å; L322-M328 HydrophobicContact CD2-SD 3.79Å; L322-M328 HydrophobicContact CG-SD 4.21Å; L322-M328 WeakPolarHBondContact O-CB 3.41Å; L322-M328 PolarHBondContact O-N 3.21Å; L322-A333 HydrophobicContact CB-CB 3.76Å; L322-A333 HydrophobicContact CD1-CB 3.99Å; L322-V336 HydrophobicContact CD1-CB 4.43Å; L322-V336 HydrophobicContact CD1-CG1 4.12Å
323I96.7Very high97.1Very high28 Ų2833.7 Ų33.714%0.14416%0.16CC..Iπ-helixtrans-81.9-55.4-178.2-64.6163.7000111M319 R320 L321 K327 W330 A333M319-I323 HydrophobicContact CE-CD1 3.75Å; M319-I323 WeakPolarHBondContact O-CB 3.47Å; M319-I323 WeakPolarHBondContact O-CG1 3.24Å; M319-I323 PolarHBondContact O-N 2.76Å; R320-I323 PolarHBondContact O-N 3.29Å; L321-I323 VanDerWaalsContact C-N 3.35Å; L321-I323 PolarHBondContact O-N 2.92Å; I323-K327 VanDerWaalsContact O-CA 3.3Å; I323-K327 WeakPolarHBondContact O-CA 3.45Å; I323-K327 PolarHBondContact O-N 3.17Å; I323-W330 HydrophobicContact CD1-CD2 4.15Å; I323-W330 HydrophobicContact CD1-CE3 3.32Å; I323-W330 HydrophobicContact CD1-CZ3 3.62Å; I323-A333 HydrophobicContact CD1-CB 4.46Å; I323-A333 HydrophobicContact CG1-CB 3.93Å
324D96Very high97.1Very high10 Ų1034.9 Ų34.95%0.05317%0.165CC..Iπ-helixtrans-77.9-31.4-167.9-61.2-15.5000111.7P197 R320 K327 R367P197-D324 HydrophobicContact CG-CB 3.98Å; R320-D324 VanDerWaalsContact CG-OD2 3.24Å; R320-D324 WeakPolarHBondContact CG-OD2 3.14Å; R320-D324 WeakPolarHBondContact O-CA 3.06Å; R320-D324 WeakPolarHBondContact O-CB 3.34Å; R320-D324 PolarHBondContact O-N 3.48Å; D324-K327 WeakPolarHBondContact O-CE 3.36Å; D324-K327 PolarHBondContact O-NZ 2.97Å; D324-R367 IonicContact OD1-CZ 2.97Å; D324-R367 IonicContact OD1-NE 3.29Å; D324-R367 IonicContact OD1-NH2 3.64Å; D324-R367 PolarHBondContact OD1-NH2 3.26Å; D324-R367 IonicContact OD2-CZ 2.67Å; D324-R367 IonicContact OD2-NE 2.64Å; D324-R367 PolarHBondContact OD2-NE 2.85Å; D324-R367 IonicContact OD2-NH2 3.68Å
325E94.6Very high97.1Very high95 Ų9538.7 Ų38.744%0.44419%0.185SC..Iπ-helixtrans-108.2-46.9-176-61.4-177.5-150.900112.7R320 L321 K327R320-E325 IonicContact CZ-OE1 3.14Å; R320-E325 IonicContact NH1-OE1 3.67Å; R320-E325 PolarHBondContact NH1-OE1 2.95Å; R320-E325 IonicContact NH2-OE1 3.67Å; R320-E325 PolarHBondContact NH2-OE1 3.17Å; L321-E325 VanDerWaalsContact CD2-CD 3.47Å; L321-E325 HydrophobicContact CD2-CG 4.41Å; L321-E325 VanDerWaalsContact CD2-OE1 3.28Å; L321-E325 WeakPolarHBondContact CD2-OE1 3.31Å; L321-E325 WeakPolarHBondContact O-CA 3.4Å; L321-E325 WeakPolarHBondContact O-CB 3.4Å; L321-E325 PolarHBondContact O-N 3.07Å; E325-K327 VanDerWaalsContact C-N 3.31Å
326E94.9Very high97Very high50 Ų5038.9 Ų38.923%0.23419%0.186CC..THydrogen-bonded Turntrans-83.6-5.7178-49.3-54.7127.800113.7K289 M295 L321 L322 M328K289-E326 WeakPolarHBondContact CE-OE1 3.23Å; K289-E326 WeakPolarHBondContact CE-OE2 3.23Å; K289-E326 IonicContact NZ-OE1 2.7Å; K289-E326 PolarHBondContact NZ-OE1 2.97Å; K289-E326 IonicContact NZ-OE2 3.55Å; M295-E326 HydrophobicContact CE-CG 3.85Å; M295-E326 WeakPolarHBondContact CE-OE2 3.49Å; M295-E326 HydrophobicContact CG-CG 4.36Å; M295-E326 HydrophobicContact SD-CG 4.49Å; L321-E326 PolarHBondContact O-N 3.34Å; L322-E326 HydrophobicContact CD2-CG 4.29Å; L322-E326 CarbonylContact O-C 3.31Å; L322-E326 WeakPolarHBondContact O-CB 3.43Å; E326-M328 HydrophobicContact CB-CG 4.29Å; E326-M328 PolarHBondContact O-N 3.26Å
327K93.8Very high97Very high122 Ų12238.9 Ų38.953%0.5319%0.186SC..  trans5831.6177-50.1-54.8-174.1-175.50113.8L322 I323 D324 E325L322-K327 PolarHBondContact O-N 3.44Å; L322-K327 VanDerWaalsContact O-N 3.14Å; I323-K327 VanDerWaalsContact O-CA 3.3Å; I323-K327 WeakPolarHBondContact O-CA 3.45Å; I323-K327 PolarHBondContact O-N 3.17Å; D324-K327 WeakPolarHBondContact O-CE 3.36Å; D324-K327 PolarHBondContact O-NZ 2.97Å; E325-K327 VanDerWaalsContact C-N 3.31Å
328M94.7Very high97Very high17 Ų1740.3 Ų40.38%0.08419%0.193CC..  trans-73.9144.5172.8-66.4-17869.600111.2M295 E296 L322 E326 R332 A333 V336M295-M328 HydrophobicContact CB-SD 3.95Å; M295-M328 HydrophobicContact CG-SD 3.46Å; M295-M328 WeakPolarHBondContact CG-SD 3.27Å; E296-M328 HydrophobicContact CG-CE 4.09Å; L322-M328 HydrophobicContact CB-CB 4.5Å; L322-M328 HydrophobicContact CB-SD 3.98Å; L322-M328 HydrophobicContact CD1-SD 4.24Å; L322-M328 HydrophobicContact CD2-SD 3.79Å; L322-M328 HydrophobicContact CG-SD 4.21Å; L322-M328 WeakPolarHBondContact O-CB 3.41Å; L322-M328 PolarHBondContact O-N 3.21Å; E326-M328 HydrophobicContact CB-CG 4.29Å; E326-M328 PolarHBondContact O-N 3.26Å; M328-R332 HydrophobicContact CE-CB 3.82Å; M328-A333 HydrophobicContact CB-CB 4.15Å; M328-V336 HydrophobicContact CE-CG2 4.26Å
329G94.7Very high97Very high47 Ų4743.8 Ų43.849%0.48521%0.209SC..  trans-65.9147.5167.700000111.2E331 R332 A333G329-E331 PolarHBondContact O-N 3.33Å; G329-R332 PolarHBondContact O-N 2.83Å; G329-R332 VanDerWaalsContact O-N 3.13Å; G329-A333 PolarHBondContact O-N 3.06Å
330W96.4Very high97Very high41 Ų4143.9 Ų43.916%0.15521%0.209CC..Hα-helixtrans-48.6-52.7-174.9-177.9-80.6000113.5M319 I323 R332 A333 W334 I371 E374 I375 R378M319-W330 HydrophobicContact CE-CD2 3.75Å; M319-W330 HydrophobicContact CE-CE3 3.95Å; M319-W330 HydrophobicContact CE-CG 4.41Å; M319-W330 HydrophobicContact CE-CH2 3.79Å; M319-W330 HydrophobicContact CE-CZ2 3.59Å; M319-W330 HydrophobicContact CE-CZ3 3.96Å; I323-W330 HydrophobicContact CD1-CD2 4.15Å; I323-W330 HydrophobicContact CD1-CE3 3.32Å; I323-W330 HydrophobicContact CD1-CZ3 3.62Å; W330-R332 VanDerWaalsContact C-N 3.29Å; W330-R332 PolarHBondContact O-N 3.2Å; W330-A333 PolarHBondContact O-N 3.27Å; W330-W334 WeakPolarHBondContact O-CB 3.41Å; W330-W334 PolarHBondContact O-N 3.37Å; W330-I371 HydrophobicContact CH2-CG2 4.09Å; W330-I371 HydrophobicContact CZ3-CG2 4.47Å; W330-E374 HydrophobicContact CD2-CG 4.21Å; W330-E374 HydrophobicContact CE3-CG 3.96Å; W330-E374 HydrophobicContact CH2-CB 3.55Å; W330-E374 HydrophobicContact CH2-CG 3.31Å; W330-E374 HydrophobicContact CZ2-CB 4.11Å; W330-E374 HydrophobicContact CZ2-CG 3.56Å; W330-E374 HydrophobicContact CZ3-CB 3.99Å; W330-E374 HydrophobicContact CZ3-CG 3.53Å; W330-I375 HydrophobicContact CH2-CG1 3.95Å; W330-I375 HydrophobicContact CZ2-CG1 3.73Å; W330-R378 VanDerWaalsContact CE2-CD 3.44Å
331E96.8Very high97Very high118 Ų11843 Ų4355%0.55121%0.206SC*.Hα-helixtrans-59.3-40.2-176.3-55.3-50.5145.400112.7G329 N335 R378G329-E331 PolarHBondContact O-N 3.33Å; E331-N335 PolarHBondContact O-N 2.82Å; E331-R378 IonicContact OE1-CZ 3.1Å; E331-R378 IonicContact OE1-NH1 2.78Å; E331-R378 PolarHBondContact OE1-NH1 3.12Å
332R97Very high97Very high160 Ų16042.9 Ų42.960%0.60421%0.206SC*.Hα-helixtrans-70-44.5178.9-65.1-173.2-175.9-179.22.5111E296 M328 G329 W330 W334 V336E296-R332 IonicContact OE1-NH1 3.21Å; M328-R332 HydrophobicContact CE-CB 3.82Å; G329-R332 PolarHBondContact O-N 2.83Å; G329-R332 VanDerWaalsContact O-N 3.13Å; W330-R332 VanDerWaalsContact C-N 3.29Å; W330-R332 PolarHBondContact O-N 3.2Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 2.91Å; R332-V336 WeakPolarHBondContact O-CB 3.38Å; R332-V336 WeakPolarHBondContact O-CG2 3.27Å; R332-V336 PolarHBondContact O-N 2.97Å; R332-V336 VanDerWaalsContact O-N 3.15Å
333A98.2Very high97Very high0 Ų042.9 Ų42.90%021%0.206CC..Hα-helixtrans-61.1-40.7177.100000111.4M319 L322 I323 M328 G329 W330 T337M319-A333 HydrophobicContact CE-CB 4.25Å; M319-A333 HydrophobicContact SD-CB 3.76Å; L322-A333 HydrophobicContact CB-CB 3.76Å; L322-A333 HydrophobicContact CD1-CB 3.99Å; I323-A333 HydrophobicContact CD1-CB 4.46Å; I323-A333 HydrophobicContact CG1-CB 3.93Å; M328-A333 HydrophobicContact CB-CB 4.15Å; G329-A333 PolarHBondContact O-N 3.06Å; W330-A333 PolarHBondContact O-N 3.27Å; A333-T337 WeakPolarHBondContact O-CB 3.47Å; A333-T337 PolarHBondContact O-N 3.34Å; A333-T337 PolarHBondContact O-OG1 3.44Å
334W98.4Very high97.1Very high25 Ų2541.6 Ų41.610%0.09520%0.199CC..Hα-helixtrans-67.6-45.9180-175.9-118.1000112.5V315 M319 W330 R332 V336 T337 Q338 I375 I411V315-W334 HydrophobicContact CG1-CH2 4.17Å; V315-W334 HydrophobicContact CG1-CZ3 3.78Å; M319-W334 HydrophobicContact CE-CB 3.89Å; M319-W334 HydrophobicContact CE-CE3 3.95Å; M319-W334 HydrophobicContact CG-CE3 4.02Å; M319-W334 HydrophobicContact CG-CZ3 4.37Å; M319-W334 VanDerWaalsContact SD-CA 3.53Å; M319-W334 HydrophobicContact SD-CB 4.14Å; M319-W334 HydrophobicContact SD-CE3 3.87Å; M319-W334 PolarHBondContact SD-N 3Å; M319-W334 VanDerWaalsContact SD-N 3.42Å; W330-W334 WeakPolarHBondContact O-CB 3.41Å; W330-W334 PolarHBondContact O-N 3.37Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 2.91Å; W334-V336 VanDerWaalsContact C-N 3.35Å; W334-V336 PolarHBondContact O-N 3.42Å; W334-T337 HydrophobicContact CE3-CG2 4.49Å; W334-T337 HydrophobicContact CZ3-CG2 4.39Å; W334-T337 WeakPolarHBondContact O-CB 3.23Å; W334-T337 PolarHBondContact O-N 3.2Å; W334-T337 VanDerWaalsContact O-N 3.16Å; W334-Q338 HydrophobicContact CD2-CG 4.38Å; W334-Q338 HydrophobicContact CZ2-CG 4.02Å; W334-Q338 PolarHBondContact O-N 3.12Å; W334-I375 HydrophobicContact CE3-CD1 4.35Å; W334-I375 HydrophobicContact CE3-CG1 4.21Å; W334-I375 HydrophobicContact CH2-CD1 4.22Å; W334-I375 HydrophobicContact CH2-CG1 4.21Å; W334-I375 HydrophobicContact CH2-CG2 3.53Å; W334-I375 HydrophobicContact CZ2-CG2 4.04Å; W334-I375 HydrophobicContact CZ3-CD1 3.63Å; W334-I375 HydrophobicContact CZ3-CG1 3.77Å; W334-I375 HydrophobicContact CZ3-CG2 3.99Å; W334-I411 HydrophobicContact CH2-CG2 4.06Å; W334-I411 HydrophobicContact CZ2-CG2 3.81Å
335N98Very high97.1Very high80 Ų8041.1 Ų41.143%0.42820%0.196SC..Hα-helixtrans-58.4-48.5176.7-171.460.8000111.4E331 T337 Q338 E339E331-N335 PolarHBondContact O-N 2.82Å; N335-T337 VanDerWaalsContact C-N 3.3Å; N335-T337 PolarHBondContact O-N 3.12Å; N335-Q338 PolarHBondContact O-N 3.04Å; N335-E339 PolarHBondContact ND2-OE1 3.43Å; N335-E339 VanDerWaalsContact ND2-OE1 3.08Å; N335-E339 WeakPolarHBondContact O-CG 3.34Å; N335-E339 PolarHBondContact O-N 3.25Å; N335-E339 VanDerWaalsContact O-N 3.1Å
336V98Very high97Very high4 Ų438 Ų382%0.02418%0.182CC..Hα-helixtrans-60.6-39.9176.9168.70000111.6I298 F318 L322 M328 R332 W334 E339 V340I298-V336 HydrophobicContact CG2-CG1 3.12Å; F318-V336 HydrophobicContact CE1-CG1 3.99Å; F318-V336 HydrophobicContact CZ-CG1 4.24Å; L322-V336 HydrophobicContact CD1-CB 4.43Å; L322-V336 HydrophobicContact CD1-CG1 4.12Å; M328-V336 HydrophobicContact CE-CG2 4.26Å; R332-V336 WeakPolarHBondContact O-CB 3.38Å; R332-V336 WeakPolarHBondContact O-CG2 3.27Å; R332-V336 PolarHBondContact O-N 2.97Å; R332-V336 VanDerWaalsContact O-N 3.15Å; W334-V336 VanDerWaalsContact C-N 3.35Å; W334-V336 PolarHBondContact O-N 3.42Å; V336-E339 PolarHBondContact O-N 3.14Å; V336-V340 HydrophobicContact CG1-CG2 4.34Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.35Å; V336-V340 PolarHBondContact O-N 3.44Å
337T98.7Very high96.5Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-60-48.5176.7-61.30000111.5V315 F318 M319 A333 W334 N335 E339 V340 M341V315-T337 HydrophobicContact CG1-CG2 4.01Å; F318-T337 HydrophobicContact CD1-CG2 4.07Å; F318-T337 WeakPolarHBondContact CD1-OG1 3.34Å; M319-T337 HydrophobicContact CG-CG2 4.17Å; M319-T337 PolarHBondContact SD-OG1 3.42Å; A333-T337 WeakPolarHBondContact O-CB 3.47Å; A333-T337 PolarHBondContact O-N 3.34Å; A333-T337 PolarHBondContact O-OG1 3.44Å; W334-T337 HydrophobicContact CE3-CG2 4.49Å; W334-T337 HydrophobicContact CZ3-CG2 4.39Å; W334-T337 WeakPolarHBondContact O-CB 3.23Å; W334-T337 PolarHBondContact O-N 3.2Å; W334-T337 VanDerWaalsContact O-N 3.16Å; N335-T337 VanDerWaalsContact C-N 3.3Å; N335-T337 PolarHBondContact O-N 3.12Å; T337-E339 VanDerWaalsContact C-N 3.3Å; T337-E339 PolarHBondContact O-N 3.43Å; T337-V340 PolarHBondContact O-N 3.11Å; T337-M341 HydrophobicContact CG2-CG 4.12Å; T337-M341 WeakPolarHBondContact O-CB 3.42Å; T337-M341 WeakPolarHBondContact O-CG 3.45Å; T337-M341 PolarHBondContact O-N 3.49Å; T337-M341 VanDerWaalsContact O-N 3.11Å
338Q98.3Very high96Very high30 Ų3031.5 Ų31.514%0.1416%0.155CC..Hα-helixtrans-62.4-38.3179.3-69.1-173.6-55.400112.2W334 N335 I411 G412 H414W334-Q338 HydrophobicContact CD2-CG 4.38Å; W334-Q338 HydrophobicContact CZ2-CG 4.02Å; W334-Q338 PolarHBondContact O-N 3.12Å; N335-Q338 PolarHBondContact O-N 3.04Å; Q338-I411 PolarHBondContact NE2-O 2.93Å; Q338-G412 WeakPolarHBondContact CA-O 3.49Å; Q338-H414 VanDerWaalsContact O-CB 3.29Å; Q338-H414 WeakPolarHBondContact O-CB 3.32Å; Q338-H414 PolarHBondContact O-N 3.27Å; Q338-H414 VanDerWaalsContact O-N 3.14Å; Q338-H414 PolarHBondContact O-ND1 3.21Å
339E98.1Very high95.1Very high73 Ų7332.2 Ų32.234%0.34116%0.158SC..Hα-helixtrans-71-26.8178.6-68.7173.3166.100113.6N299 N335 V336 T337 H414N299-E339 HydrophobicContact CB-CB 3.71Å; N299-E339 PolarHBondContact ND2-OE2 3.41Å; N335-E339 PolarHBondContact ND2-OE1 3.43Å; N335-E339 VanDerWaalsContact ND2-OE1 3.08Å; N335-E339 WeakPolarHBondContact O-CG 3.34Å; N335-E339 PolarHBondContact O-N 3.25Å; N335-E339 VanDerWaalsContact O-N 3.1Å; V336-E339 PolarHBondContact O-N 3.14Å; T337-E339 VanDerWaalsContact C-N 3.3Å; T337-E339 PolarHBondContact O-N 3.43Å; E339-H414 PolarHBondContact O-CE1 3.27Å; E339-H414 PolarHBondContact O-ND1 3.46Å
340V98.6Very high94.1Very high1 Ų132.2 Ų32.21%0.00615%0.154CC..Hα-helixtrans-85.2-33.3179.2169.60000112.4I298 N299 I302 I304 F318 V336 T337I298-V340 HydrophobicContact CG2-CG2 4.05Å; N299-V340 HydrophobicContact CB-CG2 3.96Å; I302-V340 HydrophobicContact CG2-CG1 4.25Å; I304-V340 HydrophobicContact CB-CG1 4.03Å; I304-V340 HydrophobicContact CD1-CG1 3.98Å; I304-V340 HydrophobicContact CG1-CG1 3.84Å; I304-V340 PolarHBondContact N-O 3.04Å; F318-V340 HydrophobicContact CE1-CB 4.13Å; F318-V340 HydrophobicContact CE1-CG1 4.33Å; F318-V340 HydrophobicContact CE1-CG2 4.07Å; F318-V340 HydrophobicContact CZ-CB 4.49Å; F318-V340 HydrophobicContact CZ-CG1 4.38Å; F318-V340 HydrophobicContact CZ-CG2 4.13Å; V336-V340 HydrophobicContact CG1-CG2 4.34Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.35Å; V336-V340 PolarHBondContact O-N 3.44Å; T337-V340 PolarHBondContact O-N 3.11Å
341M98.7Very high92.6Very high0 Ų036.8 Ų36.80%018%0.177CC..EExtended strand (participates in β ladder)trans-93.4137.5-168.1-61.2-68.8172.700113.4I304 I306 C314 V315 F318 T337 G412 S413 H414I304-M341 HydrophobicContact CB-CE 4.31Å; I304-M341 HydrophobicContact CB-SD 3.66Å; I304-M341 HydrophobicContact CD1-CE 3.84Å; I304-M341 HydrophobicContact CD1-SD 4.35Å; I304-M341 HydrophobicContact CG2-CE 4.32Å; I304-M341 HydrophobicContact CG2-SD 3.57Å; I304-M341 VanDerWaalsContact CG2-SD 3.57Å; I304-M341 WeakPolarHBondContact O-CA 3.35Å; I306-M341 HydrophobicContact CD1-SD 4.2Å; C314-M341 HydrophobicContact CB-CE 4.08Å; C314-M341 HydrophobicContact CB-SD 4.01Å; C314-M341 WeakPolarHBondContact O-CE 3.48Å; V315-M341 HydrophobicContact CG2-CG 4.38Å; F318-M341 HydrophobicContact CB-CE 3.52Å; F318-M341 HydrophobicContact CD1-CE 3.83Å; F318-M341 HydrophobicContact CG-CE 3.77Å; T337-M341 HydrophobicContact CG2-CG 4.12Å; T337-M341 WeakPolarHBondContact O-CB 3.42Å; T337-M341 WeakPolarHBondContact O-CG 3.45Å; T337-M341 PolarHBondContact O-N 3.49Å; T337-M341 VanDerWaalsContact O-N 3.11Å; M341-G412 WeakPolarHBondContact CB-O 3.22Å; M341-S413 VanDerWaalsContact O-CA 3.28Å; M341-S413 WeakPolarHBondContact O-CA 3.33Å; M341-S413 WeakPolarHBondContact O-CB 3.48Å; M341-H414 PolarHBondContact O-CE1 3.06Å; M341-H414 PolarHBondContact O-N 3.49Å; M341-H414 PolarHBondContact O-ND1 2.86Å
342S98.8Very high91.4Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-134150.9170.452.80000110.6I304 H305 I306 I789I304-S342 PolarHBondContact O-N 2.83Å; I304-S342 PolarHBondContact O-OG 3.07Å; H305-S342 PolarHBondContact ND1-OG 2.82Å; I306-S342 WeakPolarHBondContact CB-O 3.39Å; I306-S342 PolarHBondContact N-O 2.76Å; S342-I789 VanDerWaalsContact CB-CG2 3.49Å
343Y98.4Very high90.9Very high0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans-130.1126.9-173169.9-124.9000112.4I306 N345 A409 I410 S415 I416 N417I306-Y343 HydrophobicContact CB-CD2 4.31Å; I306-Y343 HydrophobicContact CG2-CD2 3.94Å; Y343-N345 HydrophobicContact CE1-CB 3.95Å; Y343-N345 PolarHBondContact OH-ND2 2.83Å; Y343-A409 HydrophobicContact CD1-CB 4.15Å; Y343-A409 HydrophobicContact CD2-CB 3.88Å; Y343-A409 HydrophobicContact CE1-CB 4.49Å; Y343-A409 HydrophobicContact CE2-CB 4.24Å; Y343-A409 HydrophobicContact CG-CB 3.84Å; Y343-I410 HydrophobicContact CD1-CG1 3.86Å; Y343-I410 HydrophobicContact CE1-CD1 4.45Å; Y343-I410 HydrophobicContact CE1-CG1 3.94Å; Y343-S415 PolarHBondContact N-O 3.17Å; Y343-I416 HydrophobicContact CD1-CG1 4.3Å; Y343-I416 HydrophobicContact CD1-CG2 4.01Å; Y343-I416 VanDerWaalsContact O-CA 3.31Å; Y343-I416 WeakPolarHBondContact O-CA 3.31Å; Y343-N417 PolarHBondContact O-N 3.13Å
344T98.1Very high90.7Very high0 Ų027.3 Ų27.30%015%0.148CC..EExtended strand (participates in β ladder)trans-105.2126.1166.9-62.40000110.3H305 I306 D308 H346 N417 V419 Y785H305-T344 PolarHBondContact CE1-OG1 2.77Å; H305-T344 PolarHBondContact NE2-OG1 2.87Å; I306-T344 PolarHBondContact O-N 3.16Å; D308-T344 WeakPolarHBondContact CA-O 3.47Å; D308-T344 PolarHBondContact N-O 3.48Å; T344-H346 WeakPolarHBondContact CG2-NE2 3.49Å; T344-N417 WeakPolarHBondContact CA-O 3.29Å; T344-N417 WeakPolarHBondContact CG2-ND2 3.3Å; T344-N417 PolarHBondContact OG1-ND2 2.81Å; T344-N417 VanDerWaalsContact OG1-ND2 3.09Å; T344-N417 PolarHBondContact OG1-OD1 3.03Å; T344-V419 HydrophobicContact CG2-CG1 3.4Å; T344-Y785 PolarHBondContact OG1-OH 3.29Å
345N95.7Very high90.6Very high0 Ų030.2 Ų30.20%016%0.162CC..  trans-89.9136.6169.7177.2-76.5000110.7Y343 T347 L353 N417 V419 H423 L427Y343-N345 HydrophobicContact CE1-CB 3.95Å; Y343-N345 PolarHBondContact OH-ND2 2.83Å; N345-T347 PolarHBondContact ND2-O 3.01Å; N345-T347 PolarHBondContact OD1-N 3.32Å; N345-T347 PolarHBondContact OD1-O 3.19Å; N345-L353 WeakPolarHBondContact ND2-CD2 3.31Å; N345-N417 PolarHBondContact N-O 3.46Å; N345-V419 WeakPolarHBondContact O-CG1 3.48Å; N345-H423 PolarHBondContact O-CE1 2.92Å; N345-H423 VanDerWaalsContact O-CE1 3.3Å; N345-H423 PolarHBondContact OD1-CE1 3.45Å; N345-H423 PolarHBondContact OD1-NE2 3.28Å; N345-L427 HydrophobicContact CB-CD1 3.98Å
346H93.3Very high90.5Very high30 Ų3026.7 Ų26.714%0.13914%0.142CC..  trans-117.410.4-179.6-78.9-86.9000114.1L115 L118 N307 T344 V419 A637L115-H346 HydrophobicContact CD1-CB 4.16Å; L115-H346 VanDerWaalsContact CD1-CD2 3.4Å; L115-H346 WeakPolarHBondContact CD1-CD2 3.29Å; L118-H346 WeakPolarHBondContact CD2-CE1 3.47Å; N307-H346 PolarHBondContact OD1-CD2 3.23Å; N307-H346 VanDerWaalsContact OD1-CD2 3.27Å; N307-H346 PolarHBondContact OD1-NE2 3.12Å; T344-H346 WeakPolarHBondContact CG2-NE2 3.49Å; H346-V419 WeakPolarHBondContact CE1-CG1 3.3Å; H346-A637 VanDerWaalsContact O-CB 3.31Å; H346-A637 WeakPolarHBondContact O-CB 3.32Å
347T84.5Confident90.5Very high21 Ų2127.6 Ų27.613%0.12915%0.149CC..  trans-145135.3-176.3-1750000112.9N345 M349 A352 L353N345-T347 PolarHBondContact ND2-O 3.01Å; N345-T347 PolarHBondContact OD1-N 3.32Å; N345-T347 PolarHBondContact OD1-O 3.19Å; T347-M349 PolarHBondContact OG1-N 3.48Å; T347-A352 HydrophobicContact CG2-CB 4.28Å; T347-L353 HydrophobicContact CG2-CD2 3.8Å
348I83Confident90.5Very high14 Ų1428.7 Ų28.77%0.07216%0.155CC..  trans-87.1-12.6171.557.294.3000113.4A350 H423 V431 S634 K635I348-A350 PolarHBondContact O-N 3Å; I348-H423 WeakPolarHBondContact CG2-CD2 3.42Å; I348-V431 HydrophobicContact CB-CG2 4.4Å; I348-V431 VanDerWaalsContact O-CG2 3.24Å; I348-V431 WeakPolarHBondContact O-CG2 3.05Å; I348-S634 WeakPolarHBondContact CD1-O 3.34Å; I348-S634 WeakPolarHBondContact CG1-O 3.39Å; I348-K635 HydrophobicContact CD1-CD 3.92Å
349M75.6Confident90.4Very high32 Ų3233.2 Ų33.216%0.15818%0.18CC..  trans-81.8108-175.9-67.5-170.7-54.500108.3T347 E351 A352 L353T347-M349 PolarHBondContact OG1-N 3.48Å; M349-E351 HydrophobicContact CB-CG 4.17Å; M349-E351 WeakPolarHBondContact CB-OE1 3.21Å; M349-E351 PolarHBondContact O-N 3.38Å; M349-A352 HydrophobicContact CB-CB 3.81Å; M349-A352 HydrophobicContact CE-CB 4.22Å; M349-A352 WeakPolarHBondContact O-CA 3.34Å; M349-A352 WeakPolarHBondContact O-CB 3.33Å; M349-A352 PolarHBondContact O-N 3.14Å; M349-L353 PolarHBondContact O-N 3.44Å
350A72.5Confident90.3Very high48 Ų4830 Ų3040%0.39717%0.165SC..G310 helixtrans-60.7-30.5179.900000111.8I348 A352 L353I348-A350 PolarHBondContact O-N 3Å; A350-A352 VanDerWaalsContact C-N 3.26Å; A350-A352 PolarHBondContact O-N 3.22Å; A350-L353 WeakPolarHBondContact O-CB 3.25Å; A350-L353 PolarHBondContact O-N 3.23Å
351E66Low90.3Very high137 Ų13730 Ų3064%0.6416%0.164SC*.G310 helixtrans-66.8-23.7172.364.4-85.3-16200113.6M349M349-E351 HydrophobicContact CB-CG 4.17Å; M349-E351 WeakPolarHBondContact CB-OE1 3.21Å; M349-E351 PolarHBondContact O-N 3.38Å
352A71.5Confident90.2Very high48 Ų4834.4 Ų34.440%0.39718%0.184SC..G310 helixtrans-88.4-7.9175.900000112.8T347 M349 A350 E354T347-A352 HydrophobicContact CG2-CB 4.28Å; M349-A352 HydrophobicContact CB-CB 3.81Å; M349-A352 HydrophobicContact CE-CB 4.22Å; M349-A352 WeakPolarHBondContact O-CA 3.34Å; M349-A352 WeakPolarHBondContact O-CB 3.33Å; M349-A352 PolarHBondContact O-N 3.14Å; A350-A352 VanDerWaalsContact C-N 3.26Å; A350-A352 PolarHBondContact O-N 3.22Å; A352-E354 PolarHBondContact O-N 3.39Å
353L87.3Confident90Very high15 Ų1536.8 Ų36.88%0.07920%0.201CC..SBendtrans-72.1118.1171.4-61178.3000109T309 N345 T347 M349 A350 A406 V431 L432T309-L353 HydrophobicContact CG2-CD2 4.4Å; N345-L353 WeakPolarHBondContact ND2-CD2 3.31Å; T347-L353 HydrophobicContact CG2-CD2 3.8Å; M349-L353 PolarHBondContact O-N 3.44Å; A350-L353 WeakPolarHBondContact O-CB 3.25Å; A350-L353 PolarHBondContact O-N 3.23Å; L353-A406 HydrophobicContact CB-CB 4.17Å; L353-A406 HydrophobicContact CD1-CB 4.04Å; L353-A406 HydrophobicContact CD2-CB 4.02Å; L353-A406 HydrophobicContact CG-CB 4.3Å; L353-V431 HydrophobicContact CD1-CG1 4.3Å; L353-L432 HydrophobicContact CD1-CD2 4.3Å
354E93.4Very high90Very high16 Ų1636.9 Ų36.98%0.07520%0.201CC..  trans-64136.8-168.3-163.2177.585.100113.2R269 E273 T309 A352 W356 M405R269-E354 IonicContact CZ-OE2 2.85Å; R269-E354 IonicContact NE-OE2 2.72Å; R269-E354 IonicContact NH2-OE2 2.96Å; R269-E354 PolarHBondContact NH2-OE2 2.78Å; E273-E354 VanDerWaalsContact OE1-OE2 3.12Å; T309-E354 VanDerWaalsContact OG1-CB 3.29Å; T309-E354 WeakPolarHBondContact OG1-CB 3.38Å; A352-E354 PolarHBondContact O-N 3.39Å; E354-W356 VanDerWaalsContact CD-CZ2 3.43Å; E354-W356 HydrophobicContact CG-CZ2 3.8Å; E354-W356 PolarHBondContact OE1-NE1 3.48Å; E354-M405 HydrophobicContact CB-CB 4.34Å; E354-M405 HydrophobicContact CB-CG 4.36Å; E354-M405 WeakPolarHBondContact O-CB 3.16Å; E354-M405 PolarHBondContact O-N 3.38Å
355K95.6Very high89.9Confident86 Ų8637 Ų3737%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-135134.3178.6-62.4170.7-165.8173.20109.9Q402 V403K355-Q402 HydrophobicContact CB-CB 4.48Å; K355-V403 VanDerWaalsContact CA-O 3.31Å; K355-V403 WeakPolarHBondContact CA-O 3.18Å
356W97.3Very high90Very high5 Ų537.8 Ų37.82%0.01921%0.207CC..EExtended strand (participates in β ladder)trans-119.3137.2178.2-60.9111000110.3R266 R269 L270 E354 M360 M361 Q402 V403 M405R266-W356 HydrophobicContact CB-CZ3 4.02Å; R266-W356 WeakPolarHBondContact O-CZ3 3.23Å; R269-W356 HydrophobicContact CB-CH2 4.1Å; R269-W356 HydrophobicContact CG-CH2 3.93Å; R269-W356 HydrophobicContact CG-CZ2 4.27Å; L270-W356 HydrophobicContact CB-CD2 4.2Å; L270-W356 HydrophobicContact CB-CE3 4.17Å; L270-W356 HydrophobicContact CB-CH2 4.05Å; L270-W356 HydrophobicContact CB-CZ2 4.07Å; L270-W356 HydrophobicContact CB-CZ3 4.1Å; L270-W356 HydrophobicContact CD1-CD2 4Å; L270-W356 HydrophobicContact CD1-CG 3.99Å; L270-W356 HydrophobicContact CD1-CZ2 4.39Å; L270-W356 HydrophobicContact CD2-CD2 4.3Å; L270-W356 HydrophobicContact CD2-CE3 4.47Å; L270-W356 HydrophobicContact CD2-CG 4.33Å; L270-W356 HydrophobicContact CG-CD2 4.39Å; E354-W356 VanDerWaalsContact CD-CZ2 3.43Å; E354-W356 HydrophobicContact CG-CZ2 3.8Å; E354-W356 PolarHBondContact OE1-NE1 3.48Å; W356-M360 HydrophobicContact CE3-SD 3.6Å; W356-M360 HydrophobicContact CZ3-SD 3.89Å; W356-M361 HydrophobicContact CB-CG 3.71Å; W356-M361 HydrophobicContact CB-SD 3.85Å; W356-M361 HydrophobicContact CG-SD 4.18Å; W356-Q402 CarbonylContact O-C 3.5Å; W356-Q402 WeakPolarHBondContact O-CA 3.47Å; W356-V403 PolarHBondContact N-O 3.02Å; W356-V403 PolarHBondContact O-N 2.9Å; W356-M405 VanDerWaalsContact CD1-CG 3.48Å
357S97.2Very high90.2Very high23 Ų2337.5 Ų37.516%0.16121%0.205CC..EExtended strand (participates in β ladder)trans-63.6145.4175.172.10000110.5N359 M360 M361 D401S357-N359 PolarHBondContact O-N 3.23Å; S357-M360 WeakPolarHBondContact O-CB 3.32Å; S357-M360 PolarHBondContact O-N 3.37Å; S357-M360 VanDerWaalsContact OG-CB 3.23Å; S357-M360 WeakPolarHBondContact OG-CB 3.45Å; S357-M360 PolarHBondContact OG-N 2.69Å; S357-M360 VanDerWaalsContact OG-N 3.14Å; S357-M361 PolarHBondContact O-N 3.44Å; S357-D401 CarbonylContact C-O 3.57Å; S357-D401 VanDerWaalsContact CA-O 3.31Å; S357-D401 WeakPolarHBondContact CA-O 3.44Å
358I97.9Very high90.9Very high24 Ų2436.5 Ų36.512%0.12320%0.199CC..Hα-helixtrans-52.9-42175.7-70.6174.6000110.6M360 M361 K362 Y369 I398 D401 V403I358-M360 VanDerWaalsContact C-N 3.33Å; I358-M360 PolarHBondContact O-N 2.98Å; I358-M361 PolarHBondContact O-N 3.33Å; I358-K362 HydrophobicContact CG2-CD 3.89Å; I358-K362 HydrophobicContact CG2-CG 4.33Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 WeakPolarHBondContact O-CG 3.37Å; I358-K362 PolarHBondContact O-N 2.89Å; I358-Y369 HydrophobicContact CB-CE2 4.19Å; I358-Y369 HydrophobicContact CG1-CE2 4.02Å; I358-Y369 HydrophobicContact CG2-CD2 4.47Å; I358-Y369 HydrophobicContact CG2-CE2 3.62Å; I358-I398 HydrophobicContact CD1-CG2 3.78Å; I358-I398 HydrophobicContact CG1-CG2 4.44Å; I358-D401 WeakPolarHBondContact CG1-O 3.11Å; I358-D401 PolarHBondContact N-O 2.84Å; I358-V403 HydrophobicContact CG1-CG2 4.21Å
359N97Very high91.6Very high124 Ų12436.3 Ų36.366%0.66320%0.197SC*.Hα-helixtrans-62.7-40.1178.8-69.9-20.9000112.1S357 S363S357-N359 PolarHBondContact O-N 3.23Å; N359-S363 WeakPolarHBondContact O-CB 3.49Å; N359-S363 PolarHBondContact O-N 3.11Å
360M96.7Very high92.7Very high6 Ų637.1 Ų37.13%0.0320%0.2CC..Hα-helixtrans-68.4-45.6177.5-171169.7-74.900111.4E263 R266 L270 W356 S357 I358 K362 S363 V364E263-M360 HydrophobicContact CG-CE 3.88Å; R266-M360 HydrophobicContact CB-CE 3.73Å; R266-M360 HydrophobicContact CB-SD 3.94Å; L270-M360 HydrophobicContact CD2-CG 3.79Å; L270-M360 HydrophobicContact CD2-SD 4.49Å; W356-M360 HydrophobicContact CE3-SD 3.6Å; W356-M360 HydrophobicContact CZ3-SD 3.89Å; S357-M360 WeakPolarHBondContact O-CB 3.32Å; S357-M360 PolarHBondContact O-N 3.37Å; S357-M360 VanDerWaalsContact OG-CB 3.23Å; S357-M360 WeakPolarHBondContact OG-CB 3.45Å; S357-M360 PolarHBondContact OG-N 2.69Å; S357-M360 VanDerWaalsContact OG-N 3.14Å; I358-M360 VanDerWaalsContact C-N 3.33Å; I358-M360 PolarHBondContact O-N 2.98Å; M360-K362 PolarHBondContact O-N 2.99Å; M360-S363 PolarHBondContact O-N 2.97Å; M360-S363 VanDerWaalsContact O-N 3.12Å; M360-V364 HydrophobicContact CG-CG2 4.43Å; M360-V364 WeakPolarHBondContact O-CG2 3.19Å; M360-V364 PolarHBondContact O-N 2.77Å
361M97.3Very high93.9Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-59-48.2175.3-71.8-67-69.500111.8L270 M313 W356 S357 I358 S363 V364 C365 Y369 I372 V403L270-M361 HydrophobicContact CD1-SD 3.76Å; L270-M361 HydrophobicContact CD2-CG 4.49Å; L270-M361 HydrophobicContact CD2-SD 3.71Å; L270-M361 HydrophobicContact CG-SD 4.38Å; M313-M361 HydrophobicContact SD-CE 4.31Å; W356-M361 HydrophobicContact CB-CG 3.71Å; W356-M361 HydrophobicContact CB-SD 3.85Å; W356-M361 HydrophobicContact CG-SD 4.18Å; S357-M361 PolarHBondContact O-N 3.44Å; I358-M361 PolarHBondContact O-N 3.33Å; M361-S363 PolarHBondContact O-N 3.42Å; M361-V364 PolarHBondContact O-N 2.91Å; M361-C365 CarbonylContact O-C 3.56Å; M361-C365 PolarHBondContact O-N 3.24Å; M361-Y369 HydrophobicContact CB-CD2 3.94Å; M361-Y369 HydrophobicContact CB-CG 4.46Å; M361-I372 HydrophobicContact CE-CD1 3.47Å; M361-I372 VanDerWaalsContact CE-CD1 3.47Å; M361-V403 HydrophobicContact CB-CG2 4.49Å; M361-V403 HydrophobicContact CG-CB 4.23Å; M361-V403 HydrophobicContact CG-CG2 3.92Å
362K96.5Very high95.5Very high94 Ų9428.3 Ų28.341%0.40915%0.151SC..Hα-helixtrans-58.2-37.2174.8-76178.8178.5177.40112.2I358 M360 P366 Y369I358-K362 HydrophobicContact CG2-CD 3.89Å; I358-K362 HydrophobicContact CG2-CG 4.33Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 WeakPolarHBondContact O-CG 3.37Å; I358-K362 PolarHBondContact O-N 2.89Å; M360-K362 PolarHBondContact O-N 2.99Å; K362-P366 VanDerWaalsContact O-CB 3.29Å; K362-P366 WeakPolarHBondContact O-CB 3.27Å; K362-Y369 HydrophobicContact CD-CD1 4.23Å; K362-Y369 HydrophobicContact CD-CE1 4.16Å; K362-Y369 VanDerWaalsContact CE-CZ 3.42Å; K362-Y369 HydrophobicContact CG-CD1 3.55Å; K362-Y369 HydrophobicContact CG-CD2 4.27Å; K362-Y369 HydrophobicContact CG-CE1 3.96Å; K362-Y369 HydrophobicContact CG-CG 3.75Å
363S95.6Very high96.8Very high50 Ų5030.3 Ų30.335%0.3515%0.152SC..Hα-helixtrans-81.4-24.9-176.3-172.30000114G182 R267 N359 M360 M361G182-S363 WeakPolarHBondContact CA-O 3.38Å; R267-S363 VanDerWaalsContact CZ-OG 3.31Å; R267-S363 PolarHBondContact NH1-OG 2.82Å; R267-S363 PolarHBondContact NH2-OG 2.93Å; N359-S363 WeakPolarHBondContact O-CB 3.49Å; N359-S363 PolarHBondContact O-N 3.11Å; M360-S363 PolarHBondContact O-N 2.97Å; M360-S363 VanDerWaalsContact O-N 3.12Å; M361-S363 PolarHBondContact O-N 3.42Å
364V97Very high97.3Very high1 Ų131.9 Ų31.91%0.00616%0.159CC..Hα-helixtrans-100-41.3-178.5174.30000112.1I181 G182 R267 L270 S271 M360 M361I181-V364 HydrophobicContact CG2-CG1 4.03Å; G182-V364 PolarHBondContact N-O 2.69Å; R267-V364 HydrophobicContact CG-CG2 3.84Å; L270-V364 HydrophobicContact CD2-CB 3.86Å; L270-V364 HydrophobicContact CD2-CG1 4.15Å; L270-V364 HydrophobicContact CD2-CG2 4Å; L270-V364 HydrophobicContact CG-CB 4.28Å; L270-V364 HydrophobicContact CG-CG1 3.99Å; S271-V364 WeakPolarHBondContact OG-CG1 3.45Å; M360-V364 HydrophobicContact CG-CG2 4.43Å; M360-V364 WeakPolarHBondContact O-CG2 3.19Å; M360-V364 PolarHBondContact O-N 2.77Å; M361-V364 PolarHBondContact O-N 2.91Å
365C97.3Very high97.6Very high3 Ų331.3 Ų31.32%0.0216%0.156CC..  trans-143.866.2-174.553.40000110.5Y274 M361 R367 I368 Y369Y274-C365 HydrophobicContact CD1-CB 3.94Å; Y274-C365 HydrophobicContact CD2-CB 4.43Å; Y274-C365 HydrophobicContact CE1-CB 4.12Å; Y274-C365 HydrophobicContact CG-CB 4.11Å; M361-C365 CarbonylContact O-C 3.56Å; M361-C365 PolarHBondContact O-N 3.24Å; C365-R367 VanDerWaalsContact C-N 3.33Å; C365-R367 PolarHBondContact O-N 3.03Å; C365-I368 HydrophobicContact CB-CB 3.88Å; C365-I368 HydrophobicContact CB-CG1 3.8Å; C365-I368 WeakPolarHBondContact O-CB 3.24Å; C365-I368 PolarHBondContact O-N 2.84Å; C365-Y369 PolarHBondContact O-N 3.07Å
366P97.8Very high97.7Very high17 Ų1727.3 Ų27.311%0.1114%0.139CC..Hα-helixtrans-57.2-38.6-168.322.6-36.1000114.4G183 V185 K362 Y369 Q370G183-P366 WeakPolarHBondContact O-CG 3.4Å; V185-P366 HydrophobicContact CG1-CB 3.84Å; V185-P366 HydrophobicContact CG1-CG 4.29Å; K362-P366 VanDerWaalsContact O-CB 3.29Å; K362-P366 WeakPolarHBondContact O-CB 3.27Å; P366-Y369 PolarHBondContact O-N 3.19Å; P366-Q370 PolarHBondContact O-N 3.27Å; P366-Q370 VanDerWaalsContact O-N 3.1Å
367R97.8Very high97.7Very high23 Ų2331.5 Ų31.59%0.08716%0.155CC..Hα-helixtrans-71.5-36.3178.7-177.662.1179.9140.94.8112V185 M187 Y199 R320 D324 C365 Y369 Q370 I371V185-R367 HydrophobicContact CG1-CB 4.06Å; V185-R367 HydrophobicContact CG2-CB 4.42Å; M187-R367 VanDerWaalsContact SD-CZ 3.59Å; M187-R367 PolarHBondContact SD-NH1 3.29Å; M187-R367 VanDerWaalsContact SD-NH1 3.36Å; Y199-R367 HydrophobicContact CE1-CB 3.93Å; Y199-R367 HydrophobicContact CE1-CG 4.44Å; Y199-R367 WeakPolarHBondContact OH-CG 3.34Å; R320-R367 HydrophobicContact CG-CG 3.84Å; D324-R367 IonicContact OD1-CZ 2.97Å; D324-R367 IonicContact OD1-NE 3.29Å; D324-R367 IonicContact OD1-NH2 3.64Å; D324-R367 PolarHBondContact OD1-NH2 3.26Å; D324-R367 IonicContact OD2-CZ 2.67Å; D324-R367 IonicContact OD2-NE 2.64Å; D324-R367 PolarHBondContact OD2-NE 2.85Å; D324-R367 IonicContact OD2-NH2 3.68Å; C365-R367 VanDerWaalsContact C-N 3.33Å; C365-R367 PolarHBondContact O-N 3.03Å; R367-Y369 VanDerWaalsContact C-N 3.31Å; R367-Q370 PolarHBondContact O-N 3.26Å; R367-I371 HydrophobicContact CG-CD1 4.24Å; R367-I371 WeakPolarHBondContact O-CG1 3.49Å; R367-I371 PolarHBondContact O-N 3.24Å; R367-I371 VanDerWaalsContact O-N 3.08Å
368I98.4Very high97.8Very high1 Ų133.5 Ų33.51%0.00516%0.159CC..Hα-helixtrans-63.2-43.3174.9-54.8-56.8000109.7Y274 M313 A316 E317 R320 C365 Q370 I371 I372Y274-I368 HydrophobicContact CD2-CG1 4.17Å; Y274-I368 HydrophobicContact CE2-CD1 3.7Å; Y274-I368 HydrophobicContact CE2-CG1 3.47Å; Y274-I368 VanDerWaalsContact CE2-CG1 3.47Å; M313-I368 HydrophobicContact CG-CG2 4.38Å; M313-I368 HydrophobicContact SD-CG2 4.42Å; A316-I368 HydrophobicContact CB-CG2 3.63Å; E317-I368 HydrophobicContact CB-CD1 4.22Å; E317-I368 WeakPolarHBondContact OE2-CD1 3.4Å; R320-I368 HydrophobicContact CB-CD1 4.22Å; C365-I368 HydrophobicContact CB-CB 3.88Å; C365-I368 HydrophobicContact CB-CG1 3.8Å; C365-I368 WeakPolarHBondContact O-CB 3.24Å; C365-I368 PolarHBondContact O-N 2.84Å; I368-Q370 PolarHBondContact O-N 3.11Å; I368-I371 PolarHBondContact O-N 2.88Å; I368-I372 HydrophobicContact CG2-CD1 3.89Å; I368-I372 HydrophobicContact CG2-CG1 4.47Å; I368-I372 VanDerWaalsContact O-CG1 3.3Å; I368-I372 WeakPolarHBondContact O-CG1 3.28Å; I368-I372 PolarHBondContact O-N 2.99Å
369Y98.4Very high97.8Very high9 Ų932.6 Ų32.64%0.03515%0.154CC..Hα-helixtrans-57.9-47.1172.5174.2-91.1000112.5I358 M361 K362 C365 P366 R367 I371 I372 E373 I398 V403I358-Y369 HydrophobicContact CB-CE2 4.19Å; I358-Y369 HydrophobicContact CG1-CE2 4.02Å; I358-Y369 HydrophobicContact CG2-CD2 4.47Å; I358-Y369 HydrophobicContact CG2-CE2 3.62Å; M361-Y369 HydrophobicContact CB-CD2 3.94Å; M361-Y369 HydrophobicContact CB-CG 4.46Å; K362-Y369 HydrophobicContact CD-CD1 4.23Å; K362-Y369 HydrophobicContact CD-CE1 4.16Å; K362-Y369 VanDerWaalsContact CE-CZ 3.42Å; K362-Y369 HydrophobicContact CG-CD1 3.55Å; K362-Y369 HydrophobicContact CG-CD2 4.27Å; K362-Y369 HydrophobicContact CG-CE1 3.96Å; K362-Y369 HydrophobicContact CG-CG 3.75Å; C365-Y369 PolarHBondContact O-N 3.07Å; P366-Y369 PolarHBondContact O-N 3.19Å; R367-Y369 VanDerWaalsContact C-N 3.31Å; Y369-I371 VanDerWaalsContact C-N 3.25Å; Y369-I371 PolarHBondContact O-N 3.27Å; Y369-I372 PolarHBondContact O-N 2.99Å; Y369-I372 VanDerWaalsContact O-N 3.15Å; Y369-E373 HydrophobicContact CE1-CB 4.22Å; Y369-E373 WeakPolarHBondContact CE1-OE1 3.15Å; Y369-E373 WeakPolarHBondContact O-CB 3.43Å; Y369-E373 PolarHBondContact O-N 3.48Å; Y369-E373 PolarHBondContact OH-OE1 3.21Å; Y369-I398 HydrophobicContact CE2-CD1 4.18Å; Y369-V403 HydrophobicContact CD2-CG2 4.33Å; Y369-V403 HydrophobicContact CE2-CG2 4.28Å
370Q98.2Very high97.8Very high49 Ų4927.8 Ų27.823%0.22913%0.13CC..Hα-helixtrans-58.1-38.2177.7-73.8178-13.700112.6V185 P366 R367 I368 E374V185-Q370 HydrophobicContact CG1-CG 4.49Å; V185-Q370 PolarHBondContact O-NE2 2.89Å; V185-Q370 VanDerWaalsContact O-NE2 3.15Å; P366-Q370 PolarHBondContact O-N 3.27Å; P366-Q370 VanDerWaalsContact O-N 3.1Å; R367-Q370 PolarHBondContact O-N 3.26Å; I368-Q370 PolarHBondContact O-N 3.11Å; Q370-E374 PolarHBondContact O-N 2.83Å; Q370-E374 VanDerWaalsContact O-N 3.11Å
371I98.6Very high97.8Very high1 Ų132.9 Ų32.91%0.00515%0.153CC..Hα-helixtrans-70.6-42.5176.9-70.1165.8000110.7A316 M319 R320 W330 R367 I368 Y369 E373 E374 I375A316-I371 HydrophobicContact CB-CG2 4.07Å; M319-I371 HydrophobicContact CB-CG2 3.72Å; M319-I371 HydrophobicContact CG-CG2 4.5Å; R320-I371 HydrophobicContact CB-CD1 3.34Å; R320-I371 HydrophobicContact CG-CD1 3.74Å; W330-I371 HydrophobicContact CH2-CG2 4.09Å; W330-I371 HydrophobicContact CZ3-CG2 4.47Å; R367-I371 HydrophobicContact CG-CD1 4.24Å; R367-I371 WeakPolarHBondContact O-CG1 3.49Å; R367-I371 PolarHBondContact O-N 3.24Å; R367-I371 VanDerWaalsContact O-N 3.08Å; I368-I371 PolarHBondContact O-N 2.88Å; Y369-I371 VanDerWaalsContact C-N 3.25Å; Y369-I371 PolarHBondContact O-N 3.27Å; I371-E373 VanDerWaalsContact C-N 3.31Å; I371-E373 PolarHBondContact O-N 2.66Å; I371-E374 PolarHBondContact O-N 3.1Å; I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.39Å; I371-I375 VanDerWaalsContact O-CG1 3.27Å; I371-I375 WeakPolarHBondContact O-CG1 3.32Å; I371-I375 PolarHBondContact O-N 3.25Å
372I98.7Very high97.7Very high0 Ų038.6 Ų38.60%018%0.18CC..Hα-helixtrans-60.4-42.7175.2-71.2168.6000111.1A316 M361 I368 Y369 E374 I375 D376 I397 I398 V403 L408A316-I372 HydrophobicContact CB-CD1 4.18Å; A316-I372 HydrophobicContact CB-CG1 3.68Å; M361-I372 HydrophobicContact CE-CD1 3.47Å; M361-I372 VanDerWaalsContact CE-CD1 3.47Å; I368-I372 HydrophobicContact CG2-CD1 3.89Å; I368-I372 HydrophobicContact CG2-CG1 4.47Å; I368-I372 VanDerWaalsContact O-CG1 3.3Å; I368-I372 WeakPolarHBondContact O-CG1 3.28Å; I368-I372 PolarHBondContact O-N 2.99Å; Y369-I372 PolarHBondContact O-N 2.99Å; Y369-I372 VanDerWaalsContact O-N 3.15Å; I372-E374 VanDerWaalsContact C-N 3.32Å; I372-E374 PolarHBondContact O-N 2.78Å; I372-I375 PolarHBondContact O-N 2.78Å; I372-D376 WeakPolarHBondContact O-CB 3.48Å; I372-D376 PolarHBondContact O-N 3.06Å; I372-I397 HydrophobicContact CG2-CG2 3.67Å; I372-I398 HydrophobicContact CG2-CD1 4.46Å; I372-I398 HydrophobicContact CG2-CG1 4.41Å; I372-V403 HydrophobicContact CD1-CG1 4.37Å; I372-V403 HydrophobicContact CG2-CG1 3.87Å; I372-L408 HydrophobicContact CD1-CD2 3.81Å; I372-L408 HydrophobicContact CG1-CD1 4.2Å; I372-L408 HydrophobicContact CG1-CD2 3.99Å
373E98.3Very high97.7Very high90 Ų9034.5 Ų34.542%0.42116%0.162SC..Hα-helixtrans-61.4-40.7176.8-173.8174.7-105.700111.7Y369 I371 D376 R377 I398Y369-E373 HydrophobicContact CE1-CB 4.22Å; Y369-E373 WeakPolarHBondContact CE1-OE1 3.15Å; Y369-E373 WeakPolarHBondContact O-CB 3.43Å; Y369-E373 PolarHBondContact O-N 3.48Å; Y369-E373 PolarHBondContact OH-OE1 3.21Å; I371-E373 VanDerWaalsContact C-N 3.31Å; I371-E373 PolarHBondContact O-N 2.66Å; E373-D376 PolarHBondContact O-N 3.37Å; E373-R377 WeakPolarHBondContact O-CB 2.93Å; E373-R377 PolarHBondContact O-N 3.21Å; E373-I398 HydrophobicContact CB-CD1 4Å; E373-I398 HydrophobicContact CG-CD1 4.22Å
374E98.3Very high97.7Very high48 Ų4836.2 Ų36.222%0.22417%0.171CC..Hα-helixtrans-71.7-36.9176.3-179.266176.900112.7W330 Q370 I371 I372 R377 R378W330-E374 HydrophobicContact CD2-CG 4.21Å; W330-E374 HydrophobicContact CE3-CG 3.96Å; W330-E374 HydrophobicContact CH2-CB 3.55Å; W330-E374 HydrophobicContact CH2-CG 3.31Å; W330-E374 HydrophobicContact CZ2-CB 4.11Å; W330-E374 HydrophobicContact CZ2-CG 3.56Å; W330-E374 HydrophobicContact CZ3-CB 3.99Å; W330-E374 HydrophobicContact CZ3-CG 3.53Å; Q370-E374 PolarHBondContact O-N 2.83Å; Q370-E374 VanDerWaalsContact O-N 3.11Å; I371-E374 PolarHBondContact O-N 3.1Å; I372-E374 VanDerWaalsContact C-N 3.32Å; I372-E374 PolarHBondContact O-N 2.78Å; E374-R377 VanDerWaalsContact CD-NH2 3.29Å; E374-R377 PolarHBondContact O-N 2.98Å; E374-R377 IonicContact OE1-CZ 3.68Å; E374-R377 IonicContact OE1-NE 3.53Å; E374-R377 IonicContact OE1-NH2 3.24Å; E374-R377 PolarHBondContact OE1-NH2 3.17Å; E374-R377 IonicContact OE2-CZ 2.76Å; E374-R377 IonicContact OE2-NE 2.66Å; E374-R377 PolarHBondContact OE2-NE 3.24Å; E374-R377 IonicContact OE2-NH2 2.72Å; E374-R377 PolarHBondContact OE2-NH2 3.13Å; E374-R378 WeakPolarHBondContact O-CB 3.3Å; E374-R378 VanDerWaalsContact O-CG 3.3Å; E374-R378 WeakPolarHBondContact O-CG 2.89Å; E374-R378 PolarHBondContact O-N 3.34Å; E374-R378 IonicContact OE1-CZ 2.58Å; E374-R378 VanDerWaalsContact OE1-CZ 3.29Å; E374-R378 IonicContact OE1-NE 2.78Å; E374-R378 PolarHBondContact OE1-NE 2.82Å; E374-R378 IonicContact OE1-NH2 3.45Å; E374-R378 PolarHBondContact OE1-NH2 3.45Å; E374-R378 VanDerWaalsContact OE1-NH2 3.13Å
375I98.7Very high97.5Very high3 Ų340 Ų402%0.01521%0.21CC..Hα-helixtrans-60.6-47.3171.5-67.3164.5000109.7V315 W330 W334 I371 I372 R378 F379 I397 L408 I411V315-I375 HydrophobicContact CG1-CD1 4.25Å; W330-I375 HydrophobicContact CH2-CG1 3.95Å; W330-I375 HydrophobicContact CZ2-CG1 3.73Å; W334-I375 HydrophobicContact CE3-CD1 4.35Å; W334-I375 HydrophobicContact CE3-CG1 4.21Å; W334-I375 HydrophobicContact CH2-CD1 4.22Å; W334-I375 HydrophobicContact CH2-CG1 4.21Å; W334-I375 HydrophobicContact CH2-CG2 3.53Å; W334-I375 HydrophobicContact CZ2-CG2 4.04Å; W334-I375 HydrophobicContact CZ3-CD1 3.63Å; W334-I375 HydrophobicContact CZ3-CG1 3.77Å; W334-I375 HydrophobicContact CZ3-CG2 3.99Å; I371-I375 HydrophobicContact CG2-CD1 3.88Å; I371-I375 HydrophobicContact CG2-CG1 4.39Å; I371-I375 VanDerWaalsContact O-CG1 3.27Å; I371-I375 WeakPolarHBondContact O-CG1 3.32Å; I371-I375 PolarHBondContact O-N 3.25Å; I372-I375 PolarHBondContact O-N 2.78Å; I375-R378 PolarHBondContact O-N 3.46Å; I375-F379 VanDerWaalsContact O-CB 3.29Å; I375-F379 WeakPolarHBondContact O-CB 3.45Å; I375-F379 PolarHBondContact O-N 3.33Å; I375-I397 HydrophobicContact CB-CD1 4.24Å; I375-I397 HydrophobicContact CG2-CD1 3.52Å; I375-L408 HydrophobicContact CD1-CD1 4.17Å; I375-I411 HydrophobicContact CG2-CG2 4.25Å
376D98.6Very high97.4Very high3 Ų344.7 Ų44.72%0.01624%0.238CC..Hα-helixtrans-61.4-46.5179.2-174.780.1000111.9I372 E373 R378 F379 V380 R396 I397 I398I372-D376 WeakPolarHBondContact O-CB 3.48Å; I372-D376 PolarHBondContact O-N 3.06Å; E373-D376 PolarHBondContact O-N 3.37Å; D376-R378 PolarHBondContact O-N 3.02Å; D376-F379 PolarHBondContact O-N 3.2Å; D376-V380 WeakPolarHBondContact O-CG2 3.49Å; D376-V380 PolarHBondContact O-N 2.95Å; D376-V380 VanDerWaalsContact O-N 3.07Å; D376-R396 WeakPolarHBondContact OD1-CB 3.4Å; D376-R396 IonicContact OD1-NE 3.01Å; D376-R396 IonicContact OD2-CZ 3.66Å; D376-R396 VanDerWaalsContact OD2-CZ 3.24Å; D376-R396 IonicContact OD2-NE 2.78Å; D376-R396 PolarHBondContact OD2-NE 3.44Å; D376-R396 IonicContact OD2-NH2 3.34Å; D376-R396 PolarHBondContact OD2-NH2 3.13Å; D376-I397 HydrophobicContact CB-CB 4.21Å; D376-I397 WeakPolarHBondContact OD1-CA 3.32Å; D376-I397 PolarHBondContact OD1-N 3.37Å; D376-I398 HydrophobicContact CB-CD1 4.34Å; D376-I398 HydrophobicContact CB-CG1 4.19Å; D376-I398 PolarHBondContact OD1-N 2.95Å
377R98.2Very high97.2Very high93 Ų9346.7 Ų46.735%0.35125%0.246SC..Hα-helixtrans-58.1-48.5177-173.7-170.668.6768111.4E373 E374 V380 E381E373-R377 WeakPolarHBondContact O-CB 2.93Å; E373-R377 PolarHBondContact O-N 3.21Å; E374-R377 VanDerWaalsContact CD-NH2 3.29Å; E374-R377 PolarHBondContact O-N 2.98Å; E374-R377 IonicContact OE1-CZ 3.68Å; E374-R377 IonicContact OE1-NE 3.53Å; E374-R377 IonicContact OE1-NH2 3.24Å; E374-R377 PolarHBondContact OE1-NH2 3.17Å; E374-R377 IonicContact OE2-CZ 2.76Å; E374-R377 IonicContact OE2-NE 2.66Å; E374-R377 PolarHBondContact OE2-NE 3.24Å; E374-R377 IonicContact OE2-NH2 2.72Å; E374-R377 PolarHBondContact OE2-NH2 3.13Å; R377-V380 PolarHBondContact O-N 3.46Å; R377-E381 IonicContact CZ-OE1 3.29Å; R377-E381 IonicContact CZ-OE2 3.35Å; R377-E381 IonicContact NH1-OE1 3.13Å; R377-E381 PolarHBondContact NH1-OE1 3.02Å; R377-E381 IonicContact NH1-OE2 3.86Å; R377-E381 PolarHBondContact NH1-OE2 3.32Å; R377-E381 IonicContact NH2-OE2 2.71Å; R377-E381 WeakPolarHBondContact O-CG 3.32Å; R377-E381 PolarHBondContact O-N 2.92Å
378R98.2Very high97Very high65 Ų6551.8 Ų51.825%0.24528%0.275CS..Hα-helixtrans-68.6-37.1-178.7-72.6173.3174.5-89.43.7112.8W330 E331 E374 I375 D376 V380 E381 E382W330-R378 VanDerWaalsContact CE2-CD 3.44Å; E331-R378 IonicContact OE1-CZ 3.1Å; E331-R378 IonicContact OE1-NH1 2.78Å; E331-R378 PolarHBondContact OE1-NH1 3.12Å; E374-R378 WeakPolarHBondContact O-CB 3.3Å; E374-R378 VanDerWaalsContact O-CG 3.3Å; E374-R378 WeakPolarHBondContact O-CG 2.89Å; E374-R378 PolarHBondContact O-N 3.34Å; E374-R378 IonicContact OE1-CZ 2.58Å; E374-R378 VanDerWaalsContact OE1-CZ 3.29Å; E374-R378 IonicContact OE1-NE 2.78Å; E374-R378 PolarHBondContact OE1-NE 2.82Å; E374-R378 IonicContact OE1-NH2 3.45Å; E374-R378 PolarHBondContact OE1-NH2 3.45Å; E374-R378 VanDerWaalsContact OE1-NH2 3.13Å; I375-R378 PolarHBondContact O-N 3.46Å; D376-R378 PolarHBondContact O-N 3.02Å; R378-V380 VanDerWaalsContact C-N 3.32Å; R378-V380 PolarHBondContact O-N 3.47Å; R378-E381 PolarHBondContact O-N 3.35Å; R378-E382 WeakPolarHBondContact O-CB 3.5Å; R378-E382 PolarHBondContact O-N 3.02Å
379F97.7Very high96.8Very high5 Ų558 Ų582%0.02230%0.302CS..Hα-helixtrans-57.4-46.1171.8167.7-100.3000111.1I375 D376 E381 E382 M383 I392 T395 I411 L438 Y439I375-F379 VanDerWaalsContact O-CB 3.29Å; I375-F379 WeakPolarHBondContact O-CB 3.45Å; I375-F379 PolarHBondContact O-N 3.33Å; D376-F379 PolarHBondContact O-N 3.2Å; F379-E381 PolarHBondContact O-N 2.96Å; F379-E382 PolarHBondContact O-N 3.26Å; F379-M383 HydrophobicContact CD2-CE 4.16Å; F379-M383 HydrophobicContact CD2-CG 4.03Å; F379-M383 HydrophobicContact CE2-CE 3.71Å; F379-M383 HydrophobicContact CE2-CG 3.74Å; F379-M383 HydrophobicContact CZ-CG 4.04Å; F379-M383 WeakPolarHBondContact O-CB 3.37Å; F379-M383 WeakPolarHBondContact O-CG 3.45Å; F379-M383 PolarHBondContact O-N 3.49Å; F379-I392 HydrophobicContact CE1-CG2 4.31Å; F379-T395 WeakPolarHBondContact CZ-OG1 3.29Å; F379-I411 HydrophobicContact CD1-CD1 4.17Å; F379-I411 HydrophobicContact CD2-CD1 3.87Å; F379-I411 HydrophobicContact CD2-CG1 4.1Å; F379-I411 HydrophobicContact CD2-CG2 4.18Å; F379-I411 HydrophobicContact CE1-CD1 4.24Å; F379-I411 HydrophobicContact CE2-CD1 3.93Å; F379-I411 HydrophobicContact CE2-CG1 4.05Å; F379-I411 HydrophobicContact CG-CD1 3.99Å; F379-I411 HydrophobicContact CZ-CD1 4.12Å; F379-L438 HydrophobicContact CE2-CD1 4.1Å; F379-L438 HydrophobicContact CZ-CD1 3.75Å; F379-Y439 WeakPolarHBondContact CE2-OH 3.39Å
380V97.6Very high96.7Very high23 Ų2362.8 Ų62.814%0.13933%0.328CS..Hα-helixtrans-62.5-43.4176.1175.10000111.2D376 R377 R378 M383 T384 I392 R396D376-V380 WeakPolarHBondContact O-CG2 3.49Å; D376-V380 PolarHBondContact O-N 2.95Å; D376-V380 VanDerWaalsContact O-N 3.07Å; R377-V380 PolarHBondContact O-N 3.46Å; R378-V380 VanDerWaalsContact C-N 3.32Å; R378-V380 PolarHBondContact O-N 3.47Å; V380-M383 PolarHBondContact O-N 3.41Å; V380-T384 WeakPolarHBondContact O-CB 3.48Å; V380-T384 PolarHBondContact O-N 3.26Å; V380-T384 PolarHBondContact O-OG1 3.43Å; V380-I392 HydrophobicContact CB-CG2 4.34Å; V380-I392 HydrophobicContact CG1-CG2 4.22Å; V380-I392 HydrophobicContact CG2-CG2 4.05Å; V380-R396 HydrophobicContact CG2-CG 3.76Å
381E97.1Very high96.6Very high113 Ų11361 Ų6153%0.52832%0.321SS..Hα-helixtrans-63.5-45178.3-74.6178.6175.200112.8R377 R378 F379 M383 T384R377-E381 IonicContact CZ-OE1 3.29Å; R377-E381 IonicContact CZ-OE2 3.35Å; R377-E381 IonicContact NH1-OE1 3.13Å; R377-E381 PolarHBondContact NH1-OE1 3.02Å; R377-E381 IonicContact NH1-OE2 3.86Å; R377-E381 PolarHBondContact NH1-OE2 3.32Å; R377-E381 IonicContact NH2-OE2 2.71Å; R377-E381 WeakPolarHBondContact O-CG 3.32Å; R377-E381 PolarHBondContact O-N 2.92Å; R378-E381 PolarHBondContact O-N 3.35Å; F379-E381 PolarHBondContact O-N 2.96Å; E381-M383 VanDerWaalsContact C-N 3.34Å; E381-M383 PolarHBondContact O-N 2.95Å; E381-T384 PolarHBondContact O-N 3.26Å
382E95.4Very high96.5Very high119 Ų11961.1 Ų61.156%0.55632%0.321SS*.Hα-helixtrans-63.2-40178.5-173.6-175.315900111.8R378 F379R378-E382 WeakPolarHBondContact O-CB 3.5Å; R378-E382 PolarHBondContact O-N 3.02Å; F379-E382 PolarHBondContact O-N 3.26Å
383M95.7Very high96.4Very high9 Ų963.8 Ų63.84%0.04433%0.333CS..Hα-helixtrans-81.9-20.4-178-64.3-62.3176.700113.5F379 V380 E381 G385 V386 H387 I392 L438 Y439F379-M383 HydrophobicContact CD2-CE 4.16Å; F379-M383 HydrophobicContact CD2-CG 4.03Å; F379-M383 HydrophobicContact CE2-CE 3.71Å; F379-M383 HydrophobicContact CE2-CG 3.74Å; F379-M383 HydrophobicContact CZ-CG 4.04Å; F379-M383 WeakPolarHBondContact O-CB 3.37Å; F379-M383 WeakPolarHBondContact O-CG 3.45Å; F379-M383 PolarHBondContact O-N 3.49Å; V380-M383 PolarHBondContact O-N 3.41Å; E381-M383 VanDerWaalsContact C-N 3.34Å; E381-M383 PolarHBondContact O-N 2.95Å; M383-G385 PolarHBondContact O-N 3.19Å; M383-V386 PolarHBondContact O-N 2.89Å; M383-H387 PolarHBondContact O-N 2.8Å; M383-H387 VanDerWaalsContact O-N 3.08Å; M383-I392 HydrophobicContact CB-CD1 3.7Å; M383-I392 HydrophobicContact CB-CG1 3.73Å; M383-I392 HydrophobicContact CB-CG2 4.33Å; M383-I392 WeakPolarHBondContact O-CD1 3.5Å; M383-L438 HydrophobicContact SD-CD2 4.39Å; M383-Y439 HydrophobicContact CE-CE1 3.68Å; M383-Y439 VanDerWaalsContact CE-CZ 3.49Å; M383-Y439 WeakPolarHBondContact CE-OH 3.45Å
384T95.9Very high96.3Very high85 Ų8565.1 Ų65.152%0.52134%0.335SS..BIsolated β-bridgetrans-64.8120.9-178.3-68.20000110.7V380 E381 V386V380-T384 WeakPolarHBondContact O-CB 3.48Å; V380-T384 PolarHBondContact O-N 3.26Å; V380-T384 PolarHBondContact O-OG1 3.43Å; E381-T384 PolarHBondContact O-N 3.26Å; T384-V386 VanDerWaalsContact C-N 3.31Å
385G92.9Very high96.2Very high80 Ų8062.9 Ų62.983%0.82532%0.324SS*.THydrogen-bonded Turntrans88.4-7.6-17600000114.3M383M383-G385 PolarHBondContact O-N 3.19Å
386V94.3Very high96.2Very high103 Ų10365.9 Ų65.962%0.62434%0.335SS*.THydrogen-bonded Turntrans-98.6-42.4172.1-174.60000110.8M383 T384M383-V386 PolarHBondContact O-N 2.89Å; T384-V386 VanDerWaalsContact C-N 3.31Å
387H94.3Very high96.1Very high59 Ų5965.7 Ų65.727%0.27333%0.334SS..BIsolated β-bridgetrans-125.3162.3-179.3-69.5-77000112.5M383 L391 I392 L438M383-H387 PolarHBondContact O-N 2.8Å; M383-H387 VanDerWaalsContact O-N 3.08Å; H387-L391 HydrophobicContact CB-CD2 4.26Å; H387-I392 HydrophobicContact CB-CD1 4.49Å; H387-I392 HydrophobicContact CB-CG1 4.2Å; H387-L438 HydrophobicContact CB-CD2 4.15Å; H387-L438 VanDerWaalsContact CD2-CD2 3.46Å; H387-L438 WeakPolarHBondContact CD2-CD2 3.49Å
388D94.1Very high96.1Very high130 Ų13062.2 Ų62.270%0.69532%0.323SS*.  trans-60.2137.9176.7-69.1-41.2000111.4D390 L391 I392D388-D390 VanDerWaalsContact C-N 3.26Å; D388-D390 PolarHBondContact O-N 3.33Å; D388-L391 HydrophobicContact CB-CB 4.38Å; D388-L391 WeakPolarHBondContact O-CB 3.41Å; D388-L391 PolarHBondContact O-N 3.11Å; D388-I392 WeakPolarHBondContact O-CG1 3.46Å; D388-I392 PolarHBondContact O-N 3.41Å; D388-I392 VanDerWaalsContact O-N 3.09Å
389F94.7Very high96Very high132 Ų13261.9 Ų61.958%0.57932%0.324SS*.Hα-helixtrans-54.2-41.7-177.5179.6-97.2000112.9L391 I392 Q393F389-L391 VanDerWaalsContact C-N 3.34Å; F389-L391 PolarHBondContact O-N 3.38Å; F389-I392 WeakPolarHBondContact O-CB 3.44Å; F389-I392 PolarHBondContact O-N 2.97Å; F389-Q393 HydrophobicContact CD1-CG 4.05Å; F389-Q393 HydrophobicContact CE1-CG 3.57Å; F389-Q393 HydrophobicContact CE2-CG 4.27Å; F389-Q393 HydrophobicContact CZ-CG 3.7Å; F389-Q393 WeakPolarHBondContact O-CG 3.41Å; F389-Q393 PolarHBondContact O-N 3.3Å
390D95.8Very high95.9Very high108 Ų10865.3 Ų65.358%0.57836%0.36SS*.Hα-helixtrans-66.2-36.2-179.9-67.7-18.3000112.2D388 Q393 R394D388-D390 VanDerWaalsContact C-N 3.26Å; D388-D390 PolarHBondContact O-N 3.33Å; D390-Q393 PolarHBondContact O-N 3.24Å; D390-R394 WeakPolarHBondContact O-CG 3.32Å; D390-R394 PolarHBondContact O-N 3.31Å; D390-R394 VanDerWaalsContact O-N 3.12Å; D390-R394 PolarHBondContact O-NH1 2.97Å
391L96.5Very high95.8Very high13 Ų1369 Ų697%0.06838%0.379CS..Hα-helixtrans-65.5-42.8175.3177.561.8000110.6H387 D388 F389 R394 T395 D434 L437 L438H387-L391 HydrophobicContact CB-CD2 4.26Å; D388-L391 HydrophobicContact CB-CB 4.38Å; D388-L391 WeakPolarHBondContact O-CB 3.41Å; D388-L391 PolarHBondContact O-N 3.11Å; F389-L391 VanDerWaalsContact C-N 3.34Å; F389-L391 PolarHBondContact O-N 3.38Å; L391-R394 PolarHBondContact O-N 3.4Å; L391-T395 HydrophobicContact CD1-CG2 4.42Å; L391-T395 WeakPolarHBondContact O-CG2 3.39Å; L391-T395 PolarHBondContact O-N 2.88Å; L391-T395 PolarHBondContact O-OG1 3.32Å; L391-D434 HydrophobicContact CD1-CB 3.47Å; L391-D434 VanDerWaalsContact CD1-CB 3.47Å; L391-D434 WeakPolarHBondContact CD1-OD1 3.47Å; L391-L437 HydrophobicContact CD1-CD1 4.28Å; L391-L437 HydrophobicContact CD2-CB 4.26Å; L391-L437 HydrophobicContact CD2-CD1 4.46Å; L391-L438 HydrophobicContact CD2-CD2 3.75Å; L391-L438 HydrophobicContact CD2-CG 4.42Å; L391-L438 HydrophobicContact CG-CD2 4.11Å
392I96.5Very high95.8Very high2 Ų265.6 Ų65.61%0.0136%0.363CS..Hα-helixtrans-59.6-50.3175.6-59.7170.2000109.6F379 V380 M383 H387 D388 F389 R394 T395 R396F379-I392 HydrophobicContact CE1-CG2 4.31Å; V380-I392 HydrophobicContact CB-CG2 4.34Å; V380-I392 HydrophobicContact CG1-CG2 4.22Å; V380-I392 HydrophobicContact CG2-CG2 4.05Å; M383-I392 HydrophobicContact CB-CD1 3.7Å; M383-I392 HydrophobicContact CB-CG1 3.73Å; M383-I392 HydrophobicContact CB-CG2 4.33Å; M383-I392 WeakPolarHBondContact O-CD1 3.5Å; H387-I392 HydrophobicContact CB-CD1 4.49Å; H387-I392 HydrophobicContact CB-CG1 4.2Å; D388-I392 WeakPolarHBondContact O-CG1 3.46Å; D388-I392 PolarHBondContact O-N 3.41Å; D388-I392 VanDerWaalsContact O-N 3.09Å; F389-I392 WeakPolarHBondContact O-CB 3.44Å; F389-I392 PolarHBondContact O-N 2.97Å; I392-R394 VanDerWaalsContact C-N 3.33Å; I392-R394 PolarHBondContact O-N 2.92Å; I392-T395 PolarHBondContact O-N 3.18Å; I392-T395 VanDerWaalsContact O-N 3.1Å; I392-T395 PolarHBondContact O-OG1 3.39Å; I392-R396 WeakPolarHBondContact O-CG 3.34Å; I392-R396 PolarHBondContact O-N 3.24Å; I392-R396 VanDerWaalsContact O-N 3.15Å
393Q96Very high95.9Very high56 Ų5660 Ų6026%0.26234%0.337SS..Hα-helixtrans-60.6-38.5-178.5-67.4-50.6-51.900113.1F389 D390 T395 R396F389-Q393 HydrophobicContact CD1-CG 4.05Å; F389-Q393 HydrophobicContact CE1-CG 3.57Å; F389-Q393 HydrophobicContact CE2-CG 4.27Å; F389-Q393 HydrophobicContact CZ-CG 3.7Å; F389-Q393 WeakPolarHBondContact O-CG 3.41Å; F389-Q393 PolarHBondContact O-N 3.3Å; D390-Q393 PolarHBondContact O-N 3.24Å; Q393-T395 VanDerWaalsContact C-N 3.27Å; Q393-T395 PolarHBondContact O-N 3.1Å; Q393-R396 VanDerWaalsContact OE1-NH1 3.16Å
394R95.4Very high96Very high119 Ų11960.4 Ų60.445%0.44934%0.339SS..Hα-helixtrans-70.2-21.7178.2-68.5-169.5-49.7-913.2113.7D390 L391 I392 Q399 H407 D434D390-R394 WeakPolarHBondContact O-CG 3.32Å; D390-R394 PolarHBondContact O-N 3.31Å; D390-R394 VanDerWaalsContact O-N 3.12Å; D390-R394 PolarHBondContact O-NH1 2.97Å; L391-R394 PolarHBondContact O-N 3.4Å; I392-R394 VanDerWaalsContact C-N 3.33Å; I392-R394 PolarHBondContact O-N 2.92Å; R394-Q399 PolarHBondContact O-NE2 2.79Å; R394-H407 PolarHBondContact O-CE1 3.08Å; R394-D434 WeakPolarHBondContact CB-OD2 3.06Å; R394-D434 IonicContact CZ-OD1 2.84Å; R394-D434 IonicContact CZ-OD2 2.64Å; R394-D434 IonicContact NE-OD1 2.67Å; R394-D434 IonicContact NE-OD2 2.84Å; R394-D434 PolarHBondContact NE-OD2 2.8Å; R394-D434 IonicContact NH2-OD1 2.62Å; R394-D434 PolarHBondContact NH2-OD1 2.86Å; R394-D434 IonicContact NH2-OD2 2.92Å; R394-D434 PolarHBondContact NH2-OD2 2.91Å
395T96.7Very high96.1Very high1 Ų156.4 Ų56.41%0.00631%0.314CS..Hα-helixtrans-101.4-2.6-178.150.10000114F379 L391 I392 Q393 H407 D434 F435 L438F379-T395 WeakPolarHBondContact CZ-OG1 3.29Å; L391-T395 HydrophobicContact CD1-CG2 4.42Å; L391-T395 WeakPolarHBondContact O-CG2 3.39Å; L391-T395 PolarHBondContact O-N 2.88Å; L391-T395 PolarHBondContact O-OG1 3.32Å; I392-T395 PolarHBondContact O-N 3.18Å; I392-T395 VanDerWaalsContact O-N 3.1Å; I392-T395 PolarHBondContact O-OG1 3.39Å; Q393-T395 VanDerWaalsContact C-N 3.27Å; Q393-T395 PolarHBondContact O-N 3.1Å; T395-H407 PolarHBondContact O-ND1 2.79Å; T395-D434 HydrophobicContact CG2-CB 3.55Å; T395-F435 HydrophobicContact CG2-CD1 4.14Å; T395-F435 HydrophobicContact CG2-CD2 4.36Å; T395-F435 HydrophobicContact CG2-CE1 4.09Å; T395-F435 HydrophobicContact CG2-CE2 4.32Å; T395-F435 HydrophobicContact CG2-CG 4.27Å; T395-F435 HydrophobicContact CG2-CZ 4.19Å; T395-F435 VanDerWaalsContact O-CZ 3.23Å; T395-F435 WeakPolarHBondContact O-CZ 3.39Å; T395-L438 HydrophobicContact CG2-CD1 3.77Å; T395-L438 WeakPolarHBondContact OG1-CD1 3.27Å
396R97.7Very high96.3Very high65 Ų6552.7 Ų52.725%0.24528%0.276CS..  trans-57148.1174.7-72.1-175.173.5173.35112.7D376 V380 I392 Q393 Q399 H407D376-R396 WeakPolarHBondContact OD1-CB 3.4Å; D376-R396 IonicContact OD1-NE 3.01Å; D376-R396 IonicContact OD2-CZ 3.66Å; D376-R396 VanDerWaalsContact OD2-CZ 3.24Å; D376-R396 IonicContact OD2-NE 2.78Å; D376-R396 PolarHBondContact OD2-NE 3.44Å; D376-R396 IonicContact OD2-NH2 3.34Å; D376-R396 PolarHBondContact OD2-NH2 3.13Å; V380-R396 HydrophobicContact CG2-CG 3.76Å; I392-R396 WeakPolarHBondContact O-CG 3.34Å; I392-R396 PolarHBondContact O-N 3.24Å; I392-R396 VanDerWaalsContact O-N 3.15Å; Q393-R396 VanDerWaalsContact OE1-NH1 3.16Å; R396-Q399 HydrophobicContact CB-CG 4.14Å; R396-Q399 PolarHBondContact O-NE2 2.95Å; R396-H407 PolarHBondContact O-ND1 3.28Å
397I98.3Very high96.5Very high0 Ų048.9 Ų48.90%025%0.251CS..SBendtrans-72.8-39.6173.4-55.3171.6000109.8I372 I375 D376 V403 H404 H407 L408 I411I372-I397 HydrophobicContact CG2-CG2 3.67Å; I375-I397 HydrophobicContact CB-CD1 4.24Å; I375-I397 HydrophobicContact CG2-CD1 3.52Å; D376-I397 HydrophobicContact CB-CB 4.21Å; D376-I397 WeakPolarHBondContact OD1-CA 3.32Å; D376-I397 PolarHBondContact OD1-N 3.37Å; I397-V403 HydrophobicContact CG2-CG1 3.98Å; I397-H404 PolarHBondContact O-N 3.5Å; I397-H407 HydrophobicContact CG1-CB 4.24Å; I397-L408 HydrophobicContact CD1-CB 4.44Å; I397-L408 HydrophobicContact CD1-CD1 4.03Å; I397-L408 HydrophobicContact CG2-CB 4.07Å; I397-I411 HydrophobicContact CD1-CD1 4.02Å; I397-I411 HydrophobicContact CG1-CD1 3.59Å
398I98.1Very high96.7Very high20 Ų2046.1 Ų46.110%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-103.2116179-57.9-178.7000109.3I358 Y369 I372 E373 D376 Q402 V403I358-I398 HydrophobicContact CD1-CG2 3.78Å; I358-I398 HydrophobicContact CG1-CG2 4.44Å; Y369-I398 HydrophobicContact CE2-CD1 4.18Å; I372-I398 HydrophobicContact CG2-CD1 4.46Å; I372-I398 HydrophobicContact CG2-CG1 4.41Å; E373-I398 HydrophobicContact CB-CD1 4Å; E373-I398 HydrophobicContact CG-CD1 4.22Å; D376-I398 HydrophobicContact CB-CD1 4.34Å; D376-I398 HydrophobicContact CB-CG1 4.19Å; D376-I398 PolarHBondContact OD1-N 2.95Å; I398-Q402 WeakPolarHBondContact CA-O 3.17Å; I398-V403 HydrophobicContact CG1-CG2 4.48Å
399Q95.7Very high96.9Very high58 Ų5839.9 Ų39.927%0.27121%0.205SC..EExtended strand (participates in β ladder)trans-131.7122.2178-57.4-175.726.900109.6R394 R396 D401 Q402 H407R394-Q399 PolarHBondContact O-NE2 2.79Å; R396-Q399 HydrophobicContact CB-CG 4.14Å; R396-Q399 PolarHBondContact O-NE2 2.95Å; Q399-D401 PolarHBondContact O-N 2.74Å; Q399-Q402 PolarHBondContact N-O 3.23Å; Q399-Q402 PolarHBondContact O-N 3.15Å; Q399-H407 PolarHBondContact NE2-CE1 2.9Å; Q399-H407 VanDerWaalsContact NE2-CE1 3.26Å
400G94.4Very high97Very high76 Ų7633.6 Ų33.678%0.78418%0.178SC*.THydrogen-bonded Turntrans59-120.6-173.600000111.3
401D95.3Very high97.1Very high102 Ų10228.6 Ų28.655%0.54515%0.151SC..THydrogen-bonded Turntrans-104.514.6178.272.3-26.9000113.4S357 I358 Q399S357-D401 CarbonylContact C-O 3.57Å; S357-D401 VanDerWaalsContact CA-O 3.31Å; S357-D401 WeakPolarHBondContact CA-O 3.44Å; I358-D401 WeakPolarHBondContact CG1-O 3.11Å; I358-D401 PolarHBondContact N-O 2.84Å; Q399-D401 PolarHBondContact O-N 2.74Å
402Q97.2Very high97.2Very high41 Ų4128 Ų2819%0.19215%0.148CC..EExtended strand (participates in β ladder)trans-119.1149.8-175.6-55-58.9-52.500112.9K355 W356 I398 Q399K355-Q402 HydrophobicContact CB-CB 4.48Å; W356-Q402 CarbonylContact O-C 3.5Å; W356-Q402 WeakPolarHBondContact O-CA 3.47Å; I398-Q402 WeakPolarHBondContact CA-O 3.17Å; Q399-Q402 PolarHBondContact N-O 3.23Å; Q399-Q402 PolarHBondContact O-N 3.15Å
403V98.2Very high97.3Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-105121.2168.7-177.50000108.2K355 W356 I358 M361 Y369 I372 I397 I398 M405K355-V403 VanDerWaalsContact CA-O 3.31Å; K355-V403 WeakPolarHBondContact CA-O 3.18Å; W356-V403 PolarHBondContact N-O 3.02Å; W356-V403 PolarHBondContact O-N 2.9Å; I358-V403 HydrophobicContact CG1-CG2 4.21Å; M361-V403 HydrophobicContact CB-CG2 4.49Å; M361-V403 HydrophobicContact CG-CB 4.23Å; M361-V403 HydrophobicContact CG-CG2 3.92Å; Y369-V403 HydrophobicContact CD2-CG2 4.33Å; Y369-V403 HydrophobicContact CE2-CG2 4.28Å; I372-V403 HydrophobicContact CD1-CG1 4.37Å; I372-V403 HydrophobicContact CG2-CG1 3.87Å; I397-V403 HydrophobicContact CG2-CG1 3.98Å; I398-V403 HydrophobicContact CG1-CG2 4.48Å; V403-M405 HydrophobicContact CG1-SD 3.89Å
404H97.9Very high97.5Very high19 Ų1928.3 Ų28.39%0.08815%0.149CC..EExtended strand (participates in β ladder)trans-93.4106.4-176.6-73.1-133.9000110.7I397 A406 H407 L408I397-H404 PolarHBondContact O-N 3.5Å; H404-A406 PolarHBondContact O-N 2.9Å; H404-H407 HydrophobicContact CB-CB 3.92Å; H404-H407 AromaticContact ND1-CD2 3.99Å; H404-H407 AromaticContact ND1-CE1 3.69Å; H404-H407 AromaticContact ND1-NE2 3.49Å; H404-H407 PolarHBondContact ND1-NE2 3.41Å; H404-H407 WeakPolarHBondContact O-CB 3.35Å; H404-H407 PolarHBondContact O-N 3.23Å; H404-H407 VanDerWaalsContact O-N 3.13Å; H404-L408 PolarHBondContact O-N 3.23Å
405M98.1Very high97.6Very high1 Ų123.1 Ų23.11%0.00513%0.131CC..Hα-helixtrans-71.3-34.6-169.7-59.2-48.8-68.900113.2A312 M313 E354 W356 V403 H407 L408 A409A312-M405 HydrophobicContact CB-CB 4.01Å; A312-M405 HydrophobicContact CB-CE 3.93Å; A312-M405 WeakPolarHBondContact CB-O 3.29Å; M313-M405 HydrophobicContact CG-CE 3.53Å; E354-M405 HydrophobicContact CB-CB 4.34Å; E354-M405 HydrophobicContact CB-CG 4.36Å; E354-M405 WeakPolarHBondContact O-CB 3.16Å; E354-M405 PolarHBondContact O-N 3.38Å; W356-M405 VanDerWaalsContact CD1-CG 3.48Å; V403-M405 HydrophobicContact CG1-SD 3.89Å; M405-H407 PolarHBondContact O-N 3.04Å; M405-L408 HydrophobicContact CE-CD2 3.87Å; M405-L408 PolarHBondContact O-N 3.06Å; M405-A409 PolarHBondContact O-N 3.32Å
406A96.9Very high97.7Very high2 Ų223 Ų232%0.01713%0.13CC..Hα-helixtrans-60.9-36.7172.200000111.9T309 L353 H404 A409 I410T309-A406 HydrophobicContact CG2-CB 3.83Å; L353-A406 HydrophobicContact CB-CB 4.17Å; L353-A406 HydrophobicContact CD1-CB 4.04Å; L353-A406 HydrophobicContact CD2-CB 4.02Å; L353-A406 HydrophobicContact CG-CB 4.3Å; H404-A406 PolarHBondContact O-N 2.9Å; A406-A409 PolarHBondContact O-N 3.15Å; A406-I410 WeakPolarHBondContact O-CB 3.35Å; A406-I410 WeakPolarHBondContact O-CD1 3.43Å; A406-I410 WeakPolarHBondContact O-CG1 3.37Å; A406-I410 PolarHBondContact O-N 3.44Å
407H97.8Very high97.7Very high23 Ų2320 Ų2011%0.10612%0.119CC..Hα-helixtrans-68.9-43.1179.9-64.4-146.2000110.1R394 T395 R396 I397 Q399 H404 M405 A409 I410 I411 F435R394-H407 PolarHBondContact O-CE1 3.08Å; T395-H407 PolarHBondContact O-ND1 2.79Å; R396-H407 PolarHBondContact O-ND1 3.28Å; I397-H407 HydrophobicContact CG1-CB 4.24Å; Q399-H407 PolarHBondContact NE2-CE1 2.9Å; Q399-H407 VanDerWaalsContact NE2-CE1 3.26Å; H404-H407 HydrophobicContact CB-CB 3.92Å; H404-H407 AromaticContact ND1-CD2 3.99Å; H404-H407 AromaticContact ND1-CE1 3.69Å; H404-H407 AromaticContact ND1-NE2 3.49Å; H404-H407 PolarHBondContact ND1-NE2 3.41Å; H404-H407 WeakPolarHBondContact O-CB 3.35Å; H404-H407 PolarHBondContact O-N 3.23Å; H404-H407 VanDerWaalsContact O-N 3.13Å; M405-H407 PolarHBondContact O-N 3.04Å; H407-A409 PolarHBondContact O-N 3.16Å; H407-I410 PolarHBondContact O-N 3.3Å; H407-I411 WeakPolarHBondContact O-CB 3.41Å; H407-I411 WeakPolarHBondContact O-CG1 3.44Å; H407-I411 PolarHBondContact O-N 3.26Å; H407-F435 HydrophobicContact CB-CE2 4.2Å; H407-F435 HydrophobicContact CB-CZ 3.66Å; H407-F435 AromaticContact CD2-CE2 3.67Å; H407-F435 AromaticContact CE1-CE2 3.82Å; H407-F435 AromaticContact CG-CE2 3.59Å; H407-F435 AromaticContact CG-CZ 3.45Å; H407-F435 VanDerWaalsContact CG-CZ 3.45Å; H407-F435 AromaticContact ND1-CE2 3.68Å; H407-F435 AromaticContact ND1-CZ 3.52Å; H407-F435 AromaticContact NE2-CE2 3.85Å
408L98.6Very high97.6Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-56.9-47.8172.6176.663.3000111.6A312 V315 I372 I375 I397 H404 M405 G412A312-L408 WeakPolarHBondContact O-CD2 3.33Å; V315-L408 HydrophobicContact CB-CD1 4.04Å; V315-L408 HydrophobicContact CB-CG 4.17Å; V315-L408 HydrophobicContact CG1-CD1 3.82Å; V315-L408 HydrophobicContact CG1-CG 4.45Å; I372-L408 HydrophobicContact CD1-CD2 3.81Å; I372-L408 HydrophobicContact CG1-CD1 4.2Å; I372-L408 HydrophobicContact CG1-CD2 3.99Å; I375-L408 HydrophobicContact CD1-CD1 4.17Å; I397-L408 HydrophobicContact CD1-CB 4.44Å; I397-L408 HydrophobicContact CD1-CD1 4.03Å; I397-L408 HydrophobicContact CG2-CB 4.07Å; H404-L408 PolarHBondContact O-N 3.23Å; M405-L408 HydrophobicContact CE-CD2 3.87Å; M405-L408 PolarHBondContact O-N 3.06Å; L408-G412 PolarHBondContact O-N 3.28Å
409A98.2Very high97.5Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-62.6-43.2179.400000112.2A312 Y343 M405 A406 H407 S413A312-A409 HydrophobicContact CB-CB 4.02Å; Y343-A409 HydrophobicContact CD1-CB 4.15Å; Y343-A409 HydrophobicContact CD2-CB 3.88Å; Y343-A409 HydrophobicContact CE1-CB 4.49Å; Y343-A409 HydrophobicContact CE2-CB 4.24Å; Y343-A409 HydrophobicContact CG-CB 3.84Å; M405-A409 PolarHBondContact O-N 3.32Å; A406-A409 PolarHBondContact O-N 3.15Å; H407-A409 PolarHBondContact O-N 3.16Å; A409-S413 WeakPolarHBondContact O-CB 3.39Å; A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 3.17Å
410I98.1Very high97.5Very high0 Ų016.3 Ų16.30%010%0.102CC..Hα-helixtrans-67.6-50.7-179.7-67162.2000111.4Y343 A406 H407 G412 S413 I416 L432 F435 Y439Y343-I410 HydrophobicContact CD1-CG1 3.86Å; Y343-I410 HydrophobicContact CE1-CD1 4.45Å; Y343-I410 HydrophobicContact CE1-CG1 3.94Å; A406-I410 WeakPolarHBondContact O-CB 3.35Å; A406-I410 WeakPolarHBondContact O-CD1 3.43Å; A406-I410 WeakPolarHBondContact O-CG1 3.37Å; A406-I410 PolarHBondContact O-N 3.44Å; H407-I410 PolarHBondContact O-N 3.3Å; I410-G412 VanDerWaalsContact C-N 3.27Å; I410-G412 PolarHBondContact O-N 3.39Å; I410-S413 PolarHBondContact O-N 2.99Å; I410-I416 HydrophobicContact CB-CG1 4.39Å; I410-I416 HydrophobicContact CG1-CG1 4.15Å; I410-I416 HydrophobicContact CG2-CD1 4.14Å; I410-I416 HydrophobicContact CG2-CG1 4.16Å; I410-L432 HydrophobicContact CD1-CD1 3.84Å; I410-L432 HydrophobicContact CD1-CD2 3.72Å; I410-L432 HydrophobicContact CD1-CG 4.32Å; I410-F435 HydrophobicContact CB-CD1 4.33Å; I410-F435 HydrophobicContact CB-CE1 4.42Å; I410-F435 HydrophobicContact CD1-CD2 3.7Å; I410-F435 HydrophobicContact CD1-CE2 3.99Å; I410-F435 HydrophobicContact CD1-CG 4.04Å; I410-F435 HydrophobicContact CG2-CB 4.07Å; I410-F435 HydrophobicContact CG2-CD1 3.52Å; I410-F435 HydrophobicContact CG2-CD2 4.49Å; I410-F435 HydrophobicContact CG2-CE1 4.03Å; I410-F435 HydrophobicContact CG2-CG 3.78Å; I410-Y439 HydrophobicContact CG2-CD2 4.47Å
411I98.4Very high97.4Very high3 Ų318.2 Ų18.22%0.0159%0.088CC..Hα-helixtrans-63.2-38.2-178.5-71165.5000110.6W334 Q338 I375 F379 I397 H407 S413 F435W334-I411 HydrophobicContact CH2-CG2 4.06Å; W334-I411 HydrophobicContact CZ2-CG2 3.81Å; Q338-I411 PolarHBondContact NE2-O 2.93Å; I375-I411 HydrophobicContact CG2-CG2 4.25Å; F379-I411 HydrophobicContact CD1-CD1 4.17Å; F379-I411 HydrophobicContact CD2-CD1 3.87Å; F379-I411 HydrophobicContact CD2-CG1 4.1Å; F379-I411 HydrophobicContact CD2-CG2 4.18Å; F379-I411 HydrophobicContact CE1-CD1 4.24Å; F379-I411 HydrophobicContact CE2-CD1 3.93Å; F379-I411 HydrophobicContact CE2-CG1 4.05Å; F379-I411 HydrophobicContact CG-CD1 3.99Å; F379-I411 HydrophobicContact CZ-CD1 4.12Å; I397-I411 HydrophobicContact CD1-CD1 4.02Å; I397-I411 HydrophobicContact CG1-CD1 3.59Å; H407-I411 WeakPolarHBondContact O-CB 3.41Å; H407-I411 WeakPolarHBondContact O-CG1 3.44Å; H407-I411 PolarHBondContact O-N 3.26Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 3.12Å; I411-F435 HydrophobicContact CD1-CE1 4.04Å; I411-F435 HydrophobicContact CD1-CZ 4.46Å; I411-F435 HydrophobicContact CG1-CE1 3.84Å
412G98.5Very high97.3Very high0 Ų015 Ų150%07%0.071CC..THydrogen-bonded Turntrans-80.9-1-179.900000116Q338 M341 L408 I410Q338-G412 WeakPolarHBondContact CA-O 3.49Å; M341-G412 WeakPolarHBondContact CB-O 3.22Å; L408-G412 PolarHBondContact O-N 3.28Å; I410-G412 VanDerWaalsContact C-N 3.27Å; I410-G412 PolarHBondContact O-N 3.39Å
413S98.6Very high97.1Very high0 Ų013.1 Ų13.10%06%0.062CC..  trans-119.3146.1-174.6-62.30000113.4M341 A409 I410 I411 R442M341-S413 VanDerWaalsContact O-CA 3.28Å; M341-S413 WeakPolarHBondContact O-CA 3.33Å; M341-S413 WeakPolarHBondContact O-CB 3.48Å; A409-S413 WeakPolarHBondContact O-CB 3.39Å; A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 3.17Å; I410-S413 PolarHBondContact O-N 2.99Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 3.12Å; S413-R442 PolarHBondContact O-NH1 2.7Å
414H98.3Very high96.9Very high65 Ų6513.3 Ų13.330%0.3016%0.063SC..SBendtrans-81.4-19.6173.964.5-87.5000113.4Q338 E339 M341 R442Q338-H414 VanDerWaalsContact O-CB 3.29Å; Q338-H414 WeakPolarHBondContact O-CB 3.32Å; Q338-H414 PolarHBondContact O-N 3.27Å; Q338-H414 VanDerWaalsContact O-N 3.14Å; Q338-H414 PolarHBondContact O-ND1 3.21Å; E339-H414 PolarHBondContact O-CE1 3.27Å; E339-H414 PolarHBondContact O-ND1 3.46Å; M341-H414 PolarHBondContact O-CE1 3.06Å; M341-H414 PolarHBondContact O-N 3.49Å; M341-H414 PolarHBondContact O-ND1 2.86Å; H414-R442 WeakPolarHBondContact O-CG 3.17Å
415S98.5Very high96.7Very high9 Ų915.5 Ų15.56%0.0638%0.076CC..EExtended strand (participates in β ladder)trans-138.8132-177.1-174.60000111.2Y343 N444Y343-S415 PolarHBondContact N-O 3.17Å; S415-N444 PolarHBondContact OG-ND2 2.76Å
416I98.1Very high96.4Very high0 Ų015.9 Ų15.90%08%0.077CC..EExtended strand (participates in β ladder)trans-125.3126.9178-62.486.8000108Y343 I410 R442 F443 N444Y343-I416 HydrophobicContact CD1-CG1 4.3Å; Y343-I416 HydrophobicContact CD1-CG2 4.01Å; Y343-I416 VanDerWaalsContact O-CA 3.31Å; Y343-I416 WeakPolarHBondContact O-CA 3.31Å; I410-I416 HydrophobicContact CB-CG1 4.39Å; I410-I416 HydrophobicContact CG1-CG1 4.15Å; I410-I416 HydrophobicContact CG2-CD1 4.14Å; I410-I416 HydrophobicContact CG2-CG1 4.16Å; I416-R442 HydrophobicContact CD1-CB 3.64Å; I416-R442 PolarHBondContact N-O 2.88Å; I416-R442 VanDerWaalsContact O-O 3.08Å; I416-F443 HydrophobicContact CB-CD1 4.35Å; I416-F443 HydrophobicContact CB-CE1 4.36Å; I416-F443 HydrophobicContact CG2-CD1 3.99Å; I416-F443 HydrophobicContact CG2-CE1 3.77Å; I416-F443 HydrophobicContact CG2-CZ 4.26Å; I416-F443 CarbonylContact O-C 3.55Å; I416-F443 VanDerWaalsContact O-CA 3.28Å; I416-F443 WeakPolarHBondContact O-CA 3.46Å; I416-N444 PolarHBondContact O-N 2.84Å; I416-N444 PolarHBondContact O-ND2 3.43Å
417N97.9Very high96.2Very high0 Ų015.9 Ų15.90%08%0.077CC..EExtended strand (participates in β ladder)trans-134.8150.7177.269.1-92.8000114.2Y343 T344 N345 N444 K446 Y785Y343-N417 PolarHBondContact O-N 3.13Å; T344-N417 WeakPolarHBondContact CA-O 3.29Å; T344-N417 WeakPolarHBondContact CG2-ND2 3.3Å; T344-N417 PolarHBondContact OG1-ND2 2.81Å; T344-N417 VanDerWaalsContact OG1-ND2 3.09Å; T344-N417 PolarHBondContact OG1-OD1 3.03Å; N345-N417 PolarHBondContact N-O 3.46Å; N417-N444 VanDerWaalsContact CA-O 3.31Å; N417-N444 WeakPolarHBondContact CA-O 3.21Å; N417-N444 VanDerWaalsContact CB-OD1 3.32Å; N417-N444 WeakPolarHBondContact CB-OD1 3.37Å; N417-K446 HydrophobicContact CB-CG 4.39Å; N417-Y785 PolarHBondContact ND2-OH 3.37Å
418G96.8Very high96Very high1 Ų117.3 Ų17.31%0.018%0.083CC..EExtended strand (participates in β ladder)trans-91.6-177.7162.600000111.3S424 N444 K446G418-S424 WeakPolarHBondContact CA-OG 3.39Å; G418-S424 PolarHBondContact N-OG 3.4Å; G418-N444 PolarHBondContact N-O 3.34Å; G418-K446 PolarHBondContact O-N 3.34Å
419V96.8Very high95.7Very high1 Ų120.3 Ų20.31%0.00611%0.108CC..SBendtrans-123.55.9-164.2-62.20000115T344 N345 H346 H423 K446 T447 N448 A637 S638T344-V419 HydrophobicContact CG2-CG1 3.4Å; N345-V419 WeakPolarHBondContact O-CG1 3.48Å; H346-V419 WeakPolarHBondContact CE1-CG1 3.3Å; V419-H423 WeakPolarHBondContact CG2-ND1 3.44Å; V419-H423 PolarHBondContact N-ND1 2.71Å; V419-K446 WeakPolarHBondContact CA-O 3.37Å; V419-T447 VanDerWaalsContact O-CA 3.29Å; V419-T447 WeakPolarHBondContact O-CA 3.37Å; V419-N448 PolarHBondContact O-N 2.91Å; V419-A637 HydrophobicContact CG2-CB 3.78Å; V419-S638 WeakPolarHBondContact O-CB 3.43Å; V419-S638 PolarHBondContact O-OG 3.05Å
420A94.9Very high95.2Very high0 Ų023.8 Ų23.80%013%0.129CC..SBendtrans-161.8158168.500000107.6L422 H423 S424 N445 A637 E662A420-L422 PolarHBondContact O-N 3.46Å; A420-H423 HydrophobicContact CB-CB 4.2Å; A420-H423 WeakPolarHBondContact O-CB 3.21Å; A420-H423 PolarHBondContact O-N 2.9Å; A420-S424 PolarHBondContact O-N 2.86Å; A420-N445 PolarHBondContact N-OD1 3.18Å; A420-N445 PolarHBondContact O-OD1 3.27Å; A420-N445 VanDerWaalsContact O-OD1 3.13Å; A420-A637 VanDerWaalsContact CB-O 3.29Å; A420-A637 WeakPolarHBondContact CB-O 3.19Å; A420-E662 WeakPolarHBondContact CA-OE1 3.47Å
421K93.3Very high94.8Very high115 Ų11525.2 Ų25.250%0.514%0.138SC..Hα-helixtrans-56.1-54.7-177176.9167.5169.243.50113H423 S424 D425 E662K421-H423 PolarHBondContact O-N 2.96Å; K421-S424 PolarHBondContact O-N 2.75Å; K421-D425 IonicContact NZ-OD1 2.73Å; K421-D425 IonicContact NZ-OD2 3.48Å; K421-D425 PolarHBondContact NZ-OD2 2.85Å; K421-D425 VanDerWaalsContact O-CG 3.27Å; K421-D425 PolarHBondContact O-N 3.01Å; K421-E662 PolarHBondContact N-OE1 2.92Å
422L91.3Very high94.6Very high34 Ų3425.3 Ų25.318%0.17814%0.138CC..Hα-helixtrans-57-41.8178.8177.763000111.1A420 D425 L426 V661A420-L422 PolarHBondContact O-N 3.46Å; L422-D425 PolarHBondContact O-N 3.1Å; L422-L426 HydrophobicContact CD1-CD1 4.41Å; L422-L426 HydrophobicContact CD1-CG 4.39Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.34Å; L422-L426 PolarHBondContact O-N 3.08Å; L422-V661 HydrophobicContact CD2-CG2 4.15Å
423H93.1Very high94.4Very high3 Ų328.9 Ų28.91%0.01416%0.155CC..Hα-helixtrans-62.2-50.1178175.5-144.7000112.4N345 I348 V419 A420 K421 D425 L426 L427 A637N345-H423 PolarHBondContact O-CE1 2.92Å; N345-H423 VanDerWaalsContact O-CE1 3.3Å; N345-H423 PolarHBondContact OD1-CE1 3.45Å; N345-H423 PolarHBondContact OD1-NE2 3.28Å; I348-H423 WeakPolarHBondContact CG2-CD2 3.42Å; V419-H423 WeakPolarHBondContact CG2-ND1 3.44Å; V419-H423 PolarHBondContact N-ND1 2.71Å; A420-H423 HydrophobicContact CB-CB 4.2Å; A420-H423 WeakPolarHBondContact O-CB 3.21Å; A420-H423 PolarHBondContact O-N 2.9Å; K421-H423 PolarHBondContact O-N 2.96Å; H423-D425 PolarHBondContact O-N 3.37Å; H423-L426 PolarHBondContact O-N 3.04Å; H423-L427 WeakPolarHBondContact O-CG 3.4Å; H423-L427 PolarHBondContact O-N 3.32Å; H423-A637 WeakPolarHBondContact CB-O 3.48Å
424S94.3Very high94.3Very high3 Ų330.5 Ų30.52%0.02116%0.164CC..Hα-helixtrans-59.9-36.2175.8-81.20000112.8G418 A420 K421 K428 N444 N445G418-S424 WeakPolarHBondContact CA-OG 3.39Å; G418-S424 PolarHBondContact N-OG 3.4Å; A420-S424 PolarHBondContact O-N 2.86Å; K421-S424 PolarHBondContact O-N 2.75Å; S424-K428 WeakPolarHBondContact O-CG 3.16Å; S424-K428 PolarHBondContact O-N 2.91Å; S424-N444 PolarHBondContact OG-O 3.36Å; S424-N444 VanDerWaalsContact OG-O 3.12Å; S424-N445 WeakPolarHBondContact OG-CA 3.42Å; S424-N445 VanDerWaalsContact OG-CB 3.24Å; S424-N445 WeakPolarHBondContact OG-CB 3.34Å; S424-N445 PolarHBondContact OG-OD1 2.81Å
425D94Very high94.2Very high66 Ų6627.7 Ų27.735%0.35315%0.151SC..Hα-helixtrans-68.3-42.3177.1-66.4-20.6000110.3K421 L422 H423 K428 A429K421-D425 IonicContact NZ-OD1 2.73Å; K421-D425 IonicContact NZ-OD2 3.48Å; K421-D425 PolarHBondContact NZ-OD2 2.85Å; K421-D425 VanDerWaalsContact O-CG 3.27Å; K421-D425 PolarHBondContact O-N 3.01Å; L422-D425 PolarHBondContact O-N 3.1Å; H423-D425 PolarHBondContact O-N 3.37Å; D425-K428 PolarHBondContact O-N 3.38Å; D425-A429 WeakPolarHBondContact O-CB 3.2Å; D425-A429 PolarHBondContact O-N 3.33Å
426L91.4Very high94.1Very high8 Ų830.1 Ų30.14%0.04216%0.16CC..Hα-helixtrans-63.8-38.1173.1-75.6172.9000113.6L422 H423 K428 A429 V430 V431 E679 Y683L422-L426 HydrophobicContact CD1-CD1 4.41Å; L422-L426 HydrophobicContact CD1-CG 4.39Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.34Å; L422-L426 PolarHBondContact O-N 3.08Å; H423-L426 PolarHBondContact O-N 3.04Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 2.88Å; L426-A429 PolarHBondContact O-N 3.29Å; L426-V430 HydrophobicContact CD2-CG2 4.45Å; L426-V430 PolarHBondContact O-N 3.08Å; L426-V431 PolarHBondContact O-N 3.41Å; L426-E679 HydrophobicContact CD1-CG 4.36Å; L426-E679 HydrophobicContact CD2-CG 3.99Å; L426-E679 WeakPolarHBondContact CD2-OE1 3.38Å; L426-Y683 HydrophobicContact CD2-CE2 4.15Å
427L92.8Very high94.1Very high2 Ų234.1 Ų34.11%0.0118%0.181CC..Iπ-helixtrans-59.8-42.4174.6-72.2178.7000110.9N345 H423 V431 L432 H433N345-L427 HydrophobicContact CB-CD1 3.98Å; H423-L427 WeakPolarHBondContact O-CG 3.4Å; H423-L427 PolarHBondContact O-N 3.32Å; L427-V431 HydrophobicContact CD2-CB 3.99Å; L427-V431 HydrophobicContact CD2-CG1 4.2Å; L427-V431 HydrophobicContact CD2-CG2 4.37Å; L427-L432 HydrophobicContact CD2-CD1 4.07Å; L427-L432 HydrophobicContact CD2-CG 4.24Å; L427-L432 CarbonylContact O-C 3.46Å; L427-L432 VanDerWaalsContact O-CA 3.29Å; L427-L432 WeakPolarHBondContact O-CA 3.12Å; L427-L432 WeakPolarHBondContact O-CB 3.42Å; L427-L432 PolarHBondContact O-N 3.32Å; L427-H433 PolarHBondContact O-N 2.88Å
428K94.8Very high94Very high53 Ų5334.8 Ų34.823%0.2318%0.184CC..Iπ-helixtrans-74.7-34.5179.8-65.7168.3-178.3177.40113.1S424 D425 L426 H433 F436 F443S424-K428 WeakPolarHBondContact O-CG 3.16Å; S424-K428 PolarHBondContact O-N 2.91Å; D425-K428 PolarHBondContact O-N 3.38Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 2.88Å; K428-H433 WeakPolarHBondContact O-CA 3.31Å; K428-H433 PolarHBondContact O-ND1 3.39Å; K428-F436 HydrophobicContact CB-CB 4.46Å; K428-F436 HydrophobicContact CB-CD1 4.23Å; K428-F436 HydrophobicContact CB-CD2 4.22Å; K428-F436 HydrophobicContact CB-CG 4.03Å; K428-F436 HydrophobicContact CD-CD2 4.21Å; K428-F436 HydrophobicContact CD-CE2 4.03Å; K428-F436 HydrophobicContact CD-CZ 4.46Å; K428-F436 HydrophobicContact CG-CD2 3.78Å; K428-F436 HydrophobicContact CG-CE2 4.11Å; K428-F436 HydrophobicContact CG-CG 4.08Å; K428-F443 HydrophobicContact CG-CB 4.3Å; K428-F443 HydrophobicContact CG-CD1 4.24Å; K428-F443 HydrophobicContact CG-CG 4.49Å
429A92.2Very high93.9Very high63 Ų6335.8 Ų35.852%0.52119%0.188SC..Iπ-helixtrans-86-33.4-174.200000113.3D425 L426D425-A429 WeakPolarHBondContact O-CB 3.2Å; D425-A429 PolarHBondContact O-N 3.33Å; L426-A429 PolarHBondContact O-N 3.29Å
430V87.7Confident93.9Very high74 Ų7439.1 Ų39.145%0.44821%0.209SC..Iπ-helixtrans-128-64.8-169.2-173.80000111.7L426 Y683L426-V430 HydrophobicContact CD2-CG2 4.45Å; L426-V430 PolarHBondContact O-N 3.08Å; V430-Y683 HydrophobicContact CG1-CE1 4.49Å
431V88.7Confident94Very high30 Ų3044.1 Ų44.118%0.18225%0.251CS..Iπ-helixtrans-73.2-45-162.5-174.80000112.9I348 L353 L426 L427I348-V431 HydrophobicContact CB-CG2 4.4Å; I348-V431 VanDerWaalsContact O-CG2 3.24Å; I348-V431 WeakPolarHBondContact O-CG2 3.05Å; L353-V431 HydrophobicContact CD1-CG1 4.3Å; L426-V431 PolarHBondContact O-N 3.41Å; L427-V431 HydrophobicContact CD2-CB 3.99Å; L427-V431 HydrophobicContact CD2-CG1 4.2Å; L427-V431 HydrophobicContact CD2-CG2 4.37Å
432L93.9Very high94.2Very high5 Ų541.3 Ų41.33%0.02624%0.237CC..THydrogen-bonded Turntrans-11927.4-177.6-57.5178.3000110.6L353 I410 L427 D434 F435 F436 F443L353-L432 HydrophobicContact CD1-CD2 4.3Å; I410-L432 HydrophobicContact CD1-CD1 3.84Å; I410-L432 HydrophobicContact CD1-CD2 3.72Å; I410-L432 HydrophobicContact CD1-CG 4.32Å; L427-L432 HydrophobicContact CD2-CD1 4.07Å; L427-L432 HydrophobicContact CD2-CG 4.24Å; L427-L432 CarbonylContact O-C 3.46Å; L427-L432 VanDerWaalsContact O-CA 3.29Å; L427-L432 WeakPolarHBondContact O-CA 3.12Å; L427-L432 WeakPolarHBondContact O-CB 3.42Å; L427-L432 PolarHBondContact O-N 3.32Å; L432-D434 VanDerWaalsContact C-N 3.34Å; L432-D434 PolarHBondContact O-N 2.97Å; L432-F435 HydrophobicContact CD2-CD2 4.32Å; L432-F435 PolarHBondContact O-N 3.5Å; L432-F435 VanDerWaalsContact O-N 3.08Å; L432-F436 PolarHBondContact O-N 3.12Å; L432-F443 HydrophobicContact CB-CE1 3.95Å; L432-F443 HydrophobicContact CB-CZ 4.16Å; L432-F443 HydrophobicContact CD1-CE1 4.01Å
433H94.9Very high94.5Very high74 Ų7440.4 Ų40.434%0.34323%0.232SC..Hα-helixtrans-54.6-48.7-175179.562.3000112.5L427 K428 F435 F436 L437L427-H433 PolarHBondContact O-N 2.88Å; K428-H433 WeakPolarHBondContact O-CA 3.31Å; K428-H433 PolarHBondContact O-ND1 3.39Å; H433-F435 VanDerWaalsContact C-N 3.28Å; H433-F435 PolarHBondContact O-N 3.34Å; H433-F436 WeakPolarHBondContact O-CA 3.49Å; H433-F436 WeakPolarHBondContact O-CB 3.26Å; H433-F436 PolarHBondContact O-N 3.29Å; H433-L437 PolarHBondContact O-N 2.87Å
434D96Very high94.7Very high35 Ų3542.1 Ų42.119%0.18724%0.241CC..Hα-helixtrans-59.9-38.3179-76.2-24.3000111.9L391 R394 T395 L432 L437 L438L391-D434 HydrophobicContact CD1-CB 3.47Å; L391-D434 VanDerWaalsContact CD1-CB 3.47Å; L391-D434 WeakPolarHBondContact CD1-OD1 3.47Å; R394-D434 WeakPolarHBondContact CB-OD2 3.06Å; R394-D434 IonicContact CZ-OD1 2.84Å; R394-D434 IonicContact CZ-OD2 2.64Å; R394-D434 IonicContact NE-OD1 2.67Å; R394-D434 IonicContact NE-OD2 2.84Å; R394-D434 PolarHBondContact NE-OD2 2.8Å; R394-D434 IonicContact NH2-OD1 2.62Å; R394-D434 PolarHBondContact NH2-OD1 2.86Å; R394-D434 IonicContact NH2-OD2 2.92Å; R394-D434 PolarHBondContact NH2-OD2 2.91Å; T395-D434 HydrophobicContact CG2-CB 3.55Å; L432-D434 VanDerWaalsContact C-N 3.34Å; L432-D434 PolarHBondContact O-N 2.97Å; D434-L437 WeakPolarHBondContact O-CB 3.26Å; D434-L437 PolarHBondContact O-N 3Å; D434-L438 WeakPolarHBondContact O-CG 3.21Å; D434-L438 PolarHBondContact O-N 2.9Å
435F97Very high94.8Very high6 Ų643.5 Ų43.53%0.02625%0.248CC..Hα-helixtrans-70.3-33.3173.8-78.2-68.8000113.1T395 H407 I410 I411 L432 H433 L437 L438 Y439 F443T395-F435 HydrophobicContact CG2-CD1 4.14Å; T395-F435 HydrophobicContact CG2-CD2 4.36Å; T395-F435 HydrophobicContact CG2-CE1 4.09Å; T395-F435 HydrophobicContact CG2-CE2 4.32Å; T395-F435 HydrophobicContact CG2-CG 4.27Å; T395-F435 HydrophobicContact CG2-CZ 4.19Å; T395-F435 VanDerWaalsContact O-CZ 3.23Å; T395-F435 WeakPolarHBondContact O-CZ 3.39Å; H407-F435 HydrophobicContact CB-CE2 4.2Å; H407-F435 HydrophobicContact CB-CZ 3.66Å; H407-F435 AromaticContact CD2-CE2 3.67Å; H407-F435 AromaticContact CE1-CE2 3.82Å; H407-F435 AromaticContact CG-CE2 3.59Å; H407-F435 AromaticContact CG-CZ 3.45Å; H407-F435 VanDerWaalsContact CG-CZ 3.45Å; H407-F435 AromaticContact ND1-CE2 3.68Å; H407-F435 AromaticContact ND1-CZ 3.52Å; H407-F435 AromaticContact NE2-CE2 3.85Å; I410-F435 HydrophobicContact CB-CD1 4.33Å; I410-F435 HydrophobicContact CB-CE1 4.42Å; I410-F435 HydrophobicContact CD1-CD2 3.7Å; I410-F435 HydrophobicContact CD1-CE2 3.99Å; I410-F435 HydrophobicContact CD1-CG 4.04Å; I410-F435 HydrophobicContact CG2-CB 4.07Å; I410-F435 HydrophobicContact CG2-CD1 3.52Å; I410-F435 HydrophobicContact CG2-CD2 4.49Å; I410-F435 HydrophobicContact CG2-CE1 4.03Å; I410-F435 HydrophobicContact CG2-CG 3.78Å; I411-F435 HydrophobicContact CD1-CE1 4.04Å; I411-F435 HydrophobicContact CD1-CZ 4.46Å; I411-F435 HydrophobicContact CG1-CE1 3.84Å; L432-F435 HydrophobicContact CD2-CD2 4.32Å; L432-F435 PolarHBondContact O-N 3.5Å; L432-F435 VanDerWaalsContact O-N 3.08Å; H433-F435 VanDerWaalsContact C-N 3.28Å; H433-F435 PolarHBondContact O-N 3.34Å; F435-L437 VanDerWaalsContact C-N 3.28Å; F435-L438 HydrophobicContact CD1-CD1 4.42Å; F435-L438 PolarHBondContact O-N 2.69Å; F435-Y439 HydrophobicContact CD1-CD2 4.43Å; F435-Y439 HydrophobicContact CD1-CE2 4.41Å; F435-Y439 PolarHBondContact O-N 3.47Å; F435-F443 HydrophobicContact CB-CE2 4.15Å; F435-F443 HydrophobicContact CB-CZ 3.75Å
436F96.8Very high95Very high60 Ų6040.5 Ų40.526%0.26323%0.232SC..Hα-helixtrans-65.3-33.9173.3177.6-107.5000111.7K428 L432 H433 L438 P440 F443K428-F436 HydrophobicContact CB-CB 4.46Å; K428-F436 HydrophobicContact CB-CD1 4.23Å; K428-F436 HydrophobicContact CB-CD2 4.22Å; K428-F436 HydrophobicContact CB-CG 4.03Å; K428-F436 HydrophobicContact CD-CD2 4.21Å; K428-F436 HydrophobicContact CD-CE2 4.03Å; K428-F436 HydrophobicContact CD-CZ 4.46Å; K428-F436 HydrophobicContact CG-CD2 3.78Å; K428-F436 HydrophobicContact CG-CE2 4.11Å; K428-F436 HydrophobicContact CG-CG 4.08Å; L432-F436 PolarHBondContact O-N 3.12Å; H433-F436 WeakPolarHBondContact O-CA 3.49Å; H433-F436 WeakPolarHBondContact O-CB 3.26Å; H433-F436 PolarHBondContact O-N 3.29Å; F436-L438 VanDerWaalsContact C-N 3.34Å; F436-P440 HydrophobicContact CD2-CB 4.25Å; F436-P440 HydrophobicContact CE2-CB 3.84Å; F436-P440 HydrophobicContact CZ-CB 4.1Å; F436-P440 VanDerWaalsContact O-CA 3.25Å; F436-P440 WeakPolarHBondContact O-CA 3.41Å; F436-P440 WeakPolarHBondContact O-CB 3.12Å; F436-P440 VanDerWaalsContact O-CD 3.25Å; F436-P440 WeakPolarHBondContact O-CD 3.42Å; F436-P440 VanDerWaalsContact O-N 3.12Å; F436-F443 HydrophobicContact CB-CD2 4.29Å; F436-F443 HydrophobicContact CB-CE2 4.21Å; F436-F443 HydrophobicContact CB-CZ 4.41Å; F436-F443 HydrophobicContact CD2-CB 3.91Å; F436-F443 AromaticContact CD2-CD2 3.9Å; F436-F443 HydrophobicContact CD2-CD2 3.9Å; F436-F443 AromaticContact CD2-CG 3.91Å; F436-F443 HydrophobicContact CD2-CG 3.91Å; F436-F443 HydrophobicContact CE2-CB 4.32Å
437L96.6Very high95.3Very high83 Ų8340.6 Ų40.644%0.43523%0.233SC..Hα-helixtrans-64.4-37.7171.9-64178.9000112.2L391 H433 D434 F435L391-L437 HydrophobicContact CD1-CD1 4.28Å; L391-L437 HydrophobicContact CD2-CB 4.26Å; L391-L437 HydrophobicContact CD2-CD1 4.46Å; H433-L437 PolarHBondContact O-N 2.87Å; D434-L437 WeakPolarHBondContact O-CB 3.26Å; D434-L437 PolarHBondContact O-N 3Å; F435-L437 VanDerWaalsContact C-N 3.28Å
438L96Very high95.5Very high15 Ų1540.9 Ų40.98%0.07924%0.235CC..Hα-helixtrans-74.4-42.2177.7-63-178.2000112.8F379 M383 H387 L391 T395 D434 F435 F436F379-L438 HydrophobicContact CE2-CD1 4.1Å; F379-L438 HydrophobicContact CZ-CD1 3.75Å; M383-L438 HydrophobicContact SD-CD2 4.39Å; H387-L438 HydrophobicContact CB-CD2 4.15Å; H387-L438 VanDerWaalsContact CD2-CD2 3.46Å; H387-L438 WeakPolarHBondContact CD2-CD2 3.49Å; L391-L438 HydrophobicContact CD2-CD2 3.75Å; L391-L438 HydrophobicContact CD2-CG 4.42Å; L391-L438 HydrophobicContact CG-CD2 4.11Å; T395-L438 HydrophobicContact CG2-CD1 3.77Å; T395-L438 WeakPolarHBondContact OG1-CD1 3.27Å; D434-L438 WeakPolarHBondContact O-CG 3.21Å; D434-L438 PolarHBondContact O-N 2.9Å; F435-L438 HydrophobicContact CD1-CD1 4.42Å; F435-L438 PolarHBondContact O-N 2.69Å; F436-L438 VanDerWaalsContact C-N 3.34Å
439Y95.8Very high95.7Very high22 Ų2238.4 Ų38.49%0.08622%0.224CC..  trans-132.553.6-168.6-54.2-58.8000113.6F379 M383 I410 F435 A441 R442 F443F379-Y439 WeakPolarHBondContact CE2-OH 3.39Å; M383-Y439 HydrophobicContact CE-CE1 3.68Å; M383-Y439 VanDerWaalsContact CE-CZ 3.49Å; M383-Y439 WeakPolarHBondContact CE-OH 3.45Å; I410-Y439 HydrophobicContact CG2-CD2 4.47Å; F435-Y439 HydrophobicContact CD1-CD2 4.43Å; F435-Y439 HydrophobicContact CD1-CE2 4.41Å; F435-Y439 PolarHBondContact O-N 3.47Å; Y439-A441 PolarHBondContact O-N 3.02Å; Y439-A441 VanDerWaalsContact O-N 3.1Å; Y439-R442 PolarHBondContact O-N 3.32Å; Y439-F443 WeakPolarHBondContact O-CD2 3.33Å
440P96.3Very high95.9Very high70 Ų7035.5 Ų35.546%0.45520%0.199SC..G310 helixtrans-58.4-35.4-169.522.3-33.3000113.3F436 R442 F443F436-P440 HydrophobicContact CD2-CB 4.25Å; F436-P440 HydrophobicContact CE2-CB 3.84Å; F436-P440 HydrophobicContact CZ-CB 4.1Å; F436-P440 VanDerWaalsContact O-CA 3.25Å; F436-P440 WeakPolarHBondContact O-CA 3.41Å; F436-P440 WeakPolarHBondContact O-CB 3.12Å; F436-P440 VanDerWaalsContact O-CD 3.25Å; F436-P440 WeakPolarHBondContact O-CD 3.42Å; F436-P440 VanDerWaalsContact O-N 3.12Å; P440-R442 VanDerWaalsContact C-N 3.27Å; P440-R442 PolarHBondContact O-N 2.95Å; P440-F443 PolarHBondContact O-N 3.2Å
441A97.2Very high96.4Very high105 Ų10532 Ų3287%0.86818%0.178SC*.G310 helixtrans-69.4-19.3179.600000114.2Y439Y439-A441 PolarHBondContact O-N 3.02Å; Y439-A441 VanDerWaalsContact O-N 3.1Å
442R97.4Very high96.8Very high57 Ų5730.6 Ų30.622%0.21517%0.17CC..G310 helixtrans-82.2-18.8-179.5-57.6-170.9-171.1-177.23.5112.6S413 H414 I416 Y439 P440S413-R442 PolarHBondContact O-NH1 2.7Å; H414-R442 WeakPolarHBondContact O-CG 3.17Å; I416-R442 HydrophobicContact CD1-CB 3.64Å; I416-R442 PolarHBondContact N-O 2.88Å; I416-R442 VanDerWaalsContact O-O 3.08Å; Y439-R442 PolarHBondContact O-N 3.32Å; P440-R442 VanDerWaalsContact C-N 3.27Å; P440-R442 PolarHBondContact O-N 2.95Å
443F97.8Very high97Very high15 Ų1530.6 Ų30.67%0.06617%0.17CC..EExtended strand (participates in β ladder)trans-88.5119.7-174.3-77.4-101.2000113.5I416 K428 L432 F435 F436 Y439 P440I416-F443 HydrophobicContact CB-CD1 4.35Å; I416-F443 HydrophobicContact CB-CE1 4.36Å; I416-F443 HydrophobicContact CG2-CD1 3.99Å; I416-F443 HydrophobicContact CG2-CE1 3.77Å; I416-F443 HydrophobicContact CG2-CZ 4.26Å; I416-F443 CarbonylContact O-C 3.55Å; I416-F443 VanDerWaalsContact O-CA 3.28Å; I416-F443 WeakPolarHBondContact O-CA 3.46Å; K428-F443 HydrophobicContact CG-CB 4.3Å; K428-F443 HydrophobicContact CG-CD1 4.24Å; K428-F443 HydrophobicContact CG-CG 4.49Å; L432-F443 HydrophobicContact CB-CE1 3.95Å; L432-F443 HydrophobicContact CB-CZ 4.16Å; L432-F443 HydrophobicContact CD1-CE1 4.01Å; F435-F443 HydrophobicContact CB-CE2 4.15Å; F435-F443 HydrophobicContact CB-CZ 3.75Å; F436-F443 HydrophobicContact CB-CD2 4.29Å; F436-F443 HydrophobicContact CB-CE2 4.21Å; F436-F443 HydrophobicContact CB-CZ 4.41Å; F436-F443 HydrophobicContact CD2-CB 3.91Å; F436-F443 AromaticContact CD2-CD2 3.9Å; F436-F443 HydrophobicContact CD2-CD2 3.9Å; F436-F443 AromaticContact CD2-CG 3.91Å; F436-F443 HydrophobicContact CD2-CG 3.91Å; F436-F443 HydrophobicContact CE2-CB 4.32Å; Y439-F443 WeakPolarHBondContact O-CD2 3.33Å; P440-F443 PolarHBondContact O-N 3.2Å
444N97.3Very high97.1Very high39 Ų3927.5 Ų27.521%0.20916%0.155CC..EExtended strand (participates in β ladder)trans-135.7-172.7176.969.787.9000113.2S415 I416 N417 G418 S424 K446S415-N444 PolarHBondContact OG-ND2 2.76Å; I416-N444 PolarHBondContact O-N 2.84Å; I416-N444 PolarHBondContact O-ND2 3.43Å; N417-N444 VanDerWaalsContact CA-O 3.31Å; N417-N444 WeakPolarHBondContact CA-O 3.21Å; N417-N444 VanDerWaalsContact CB-OD1 3.32Å; N417-N444 WeakPolarHBondContact CB-OD1 3.37Å; G418-N444 PolarHBondContact N-O 3.34Å; S424-N444 PolarHBondContact OG-O 3.36Å; S424-N444 VanDerWaalsContact OG-O 3.12Å; N444-K446 PolarHBondContact OD1-NZ 3.01Å
445N97.3Very high97.3Very high32 Ų3226 Ų2617%0.17115%0.146CC..EExtended strand (participates in β ladder)trans-131134179.6174.151.7000110.3A420 S424 T447 R784A420-N445 PolarHBondContact N-OD1 3.18Å; A420-N445 PolarHBondContact O-OD1 3.27Å; A420-N445 VanDerWaalsContact O-OD1 3.13Å; S424-N445 WeakPolarHBondContact OG-CA 3.42Å; S424-N445 VanDerWaalsContact OG-CB 3.24Å; S424-N445 WeakPolarHBondContact OG-CB 3.34Å; S424-N445 PolarHBondContact OG-OD1 2.81Å; N445-T447 PolarHBondContact ND2-OG1 3.4Å; N445-T447 VanDerWaalsContact ND2-OG1 3.12Å; N445-R784 PolarHBondContact O-NH2 3.01Å
446K97.5Very high97.3Very high2 Ų225.7 Ų25.71%0.00915%0.145CC..  trans-132.186.1169.1-61.9-67.8-170.6-79.50108.8N417 G418 V419 N444 N448 R784 Y785 D788 I789N417-K446 HydrophobicContact CB-CG 4.39Å; G418-K446 PolarHBondContact O-N 3.34Å; V419-K446 WeakPolarHBondContact CA-O 3.37Å; N444-K446 PolarHBondContact OD1-NZ 3.01Å; K446-N448 PolarHBondContact O-N 2.96Å; K446-R784 HydrophobicContact CD-CB 3.69Å; K446-R784 WeakPolarHBondContact CE-O 3.22Å; K446-Y785 HydrophobicContact CB-CD2 3.97Å; K446-Y785 HydrophobicContact CB-CE1 4.15Å; K446-Y785 HydrophobicContact CB-CE2 3.27Å; K446-Y785 HydrophobicContact CD-CD2 4.3Å; K446-Y785 HydrophobicContact CD-CE2 4.44Å; K446-Y785 HydrophobicContact CG-CD1 4.22Å; K446-Y785 HydrophobicContact CG-CD2 4.02Å; K446-Y785 HydrophobicContact CG-CE1 3.93Å; K446-Y785 HydrophobicContact CG-CE2 3.73Å; K446-Y785 HydrophobicContact CG-CG 4.25Å; K446-D788 WeakPolarHBondContact CE-OD2 3.06Å; K446-D788 VanDerWaalsContact NZ-CB 3.29Å; K446-D788 IonicContact NZ-OD2 3.89Å; K446-D788 PolarHBondContact NZ-OD2 2.97Å; K446-I789 HydrophobicContact CG-CD1 4.21Å
447T97.1Very high97.3Very high10 Ų1023.3 Ų23.36%0.06114%0.135CC..  trans-48.7130.4175.5-550000110.4V419 N445 M643 E662 T781V419-T447 VanDerWaalsContact O-CA 3.29Å; V419-T447 WeakPolarHBondContact O-CA 3.37Å; N445-T447 PolarHBondContact ND2-OG1 3.4Å; N445-T447 VanDerWaalsContact ND2-OG1 3.12Å; T447-M643 HydrophobicContact CG2-CE 4.34Å; T447-E662 WeakPolarHBondContact CG2-OE1 3.16Å; T447-E662 WeakPolarHBondContact CG2-OE2 3.35Å; T447-E662 PolarHBondContact OG1-OE1 2.73Å; T447-E662 PolarHBondContact OG1-OE2 3.42Å; T447-T781 WeakPolarHBondContact O-CG2 3.3Å; T447-T781 PolarHBondContact O-OG1 3.46Å; T447-T781 VanDerWaalsContact O-OG1 3.13Å
448N97.8Very high97.3Very high9 Ų920 Ų205%0.04812%0.118CC..  trans-57.4164.3179.4-74.6-23.4000113L118 V419 K446 S638 T640 M643L118-N448 HydrophobicContact CD1-CB 3.85Å; L118-N448 WeakPolarHBondContact CD2-OD1 3.19Å; V419-N448 PolarHBondContact O-N 2.91Å; K446-N448 PolarHBondContact O-N 2.96Å; N448-S638 VanDerWaalsContact ND2-CB 3.32Å; N448-S638 WeakPolarHBondContact ND2-CB 3.3Å; N448-S638 PolarHBondContact ND2-OG 2.85Å; N448-T640 HydrophobicContact CB-CG2 3.92Å; N448-M643 HydrophobicContact CB-CE 4.18Å; N448-M643 VanDerWaalsContact O-CE 3.3Å; N448-M643 WeakPolarHBondContact O-CE 3.31Å
449G97.7Very high97.4Very high0 Ų019.6 Ų19.60%012%0.116CC..  trans-149.6175.8173.200000113F776 T781G449-F776 CarbonylContact C-O 3.45Å; G449-F776 WeakPolarHBondContact CA-O 3.46Å; G449-T781 PolarHBondContact N-OG1 3.3Å
450I98.4Very high97.5Very high2 Ų218.5 Ų18.51%0.0111%0.112CC..BIsolated β-bridgetrans-128.9147.5-177.159.2167.8000112M452 W455 M643 K644 L647 F776 S777 S778I450-M452 PolarHBondContact O-N 2.73Å; I450-W455 HydrophobicContact CD1-CB 4.34Å; I450-M643 VanDerWaalsContact CD1-C 3.49Å; I450-M643 HydrophobicContact CD1-CB 3.86Å; I450-M643 HydrophobicContact CG1-CB 4.14Å; I450-M643 HydrophobicContact CG2-CB 4.17Å; I450-M643 HydrophobicContact CG2-SD 4.41Å; I450-K644 HydrophobicContact CB-CG 4.36Å; I450-K644 VanDerWaalsContact CD1-CA 3.49Å; I450-K644 HydrophobicContact CD1-CB 4.08Å; I450-K644 HydrophobicContact CD1-CG 3.59Å; I450-K644 HydrophobicContact CG2-CG 3.93Å; I450-L647 HydrophobicContact CD1-CB 4.44Å; I450-L647 HydrophobicContact CD1-CD2 3.67Å; I450-F776 PolarHBondContact N-O 3.11Å; I450-S777 WeakPolarHBondContact O-CA 3.45Å; I450-S778 PolarHBondContact O-N 2.98Å; I450-S778 PolarHBondContact O-OG 3.3Å
451A97.7Very high97.6Very high1 Ų118.2 Ų18.21%0.00811%0.11CC..  trans-78.5110.3179.200000110.8C121 D124 R453 R454 W455 S778C121-A451 HydrophobicContact CB-CB 4.08Å; C121-A451 PolarHBondContact SG-N 3.22Å; C121-A451 VanDerWaalsContact SG-N 3.38Å; D124-A451 HydrophobicContact CB-CB 4.34Å; A451-R453 PolarHBondContact O-N 3.07Å; A451-R454 PolarHBondContact O-N 2.86Å; A451-W455 VanDerWaalsContact O-CD1 3.26Å; A451-W455 PolarHBondContact O-N 3.18Å; A451-W455 VanDerWaalsContact O-N 3.1Å; A451-S778 WeakPolarHBondContact CA-OG 3.16Å; A451-S778 PolarHBondContact N-OG 3.42Å; A451-S778 VanDerWaalsContact N-OG 3.12Å
452M96.3Very high97.6Very high1 Ų115.1 Ų15.11%0.0058%0.08CC..Hα-helixtrans-64.4-27.5-178-64.4-157.1166.200113.5I450 R454 T456 Q457 P479 L482 L647 A773 G774I450-M452 PolarHBondContact O-N 2.73Å; M452-R454 VanDerWaalsContact C-N 3.28Å; M452-R454 PolarHBondContact O-N 3.26Å; M452-T456 PolarHBondContact O-N 2.95Å; M452-Q457 PolarHBondContact O-N 3.4Å; M452-Q457 VanDerWaalsContact O-N 3.16Å; M452-P479 HydrophobicContact CE-CB 3.84Å; M452-P479 HydrophobicContact CG-CG 4.43Å; M452-P479 HydrophobicContact SD-CB 3.51Å; M452-P479 VanDerWaalsContact SD-CB 3.51Å; M452-P479 HydrophobicContact SD-CG 3.89Å; M452-L482 HydrophobicContact CE-CD1 3.74Å; M452-L482 HydrophobicContact SD-CD1 3.86Å; M452-L647 HydrophobicContact CE-CD1 3.91Å; M452-L647 HydrophobicContact CE-CD2 4.31Å; M452-L647 HydrophobicContact CG-CD2 4.19Å; M452-L647 HydrophobicContact SD-CD1 4.34Å; M452-A773 WeakPolarHBondContact CE-O 3.34Å; M452-G774 VanDerWaalsContact CE-CA 3.48Å
453R98Very high97.6Very high5 Ų512.4 Ų12.42%0.0197%0.07CC..Iπ-helixtrans-51.6-50.5172.8-75.373.861.1-172.911.2110.4L79 D124 S125 Y217 A451 Q457 L458 D779L79-R453 HydrophobicContact CD2-CB 3.95Å; L79-R453 HydrophobicContact CD2-CG 4.36Å; D124-R453 IonicContact OD1-CZ 3.47Å; D124-R453 IonicContact OD1-NE 2.92Å; D124-R453 PolarHBondContact OD1-NE 2.78Å; D124-R453 IonicContact OD1-NH2 3.74Å; D124-R453 PolarHBondContact OD1-NH2 2.58Å; S125-R453 PolarHBondContact OG-NH2 3.14Å; S125-R453 VanDerWaalsContact OG-NH2 3.09Å; Y217-R453 HydrophobicContact CD2-CG 3.7Å; Y217-R453 HydrophobicContact CE2-CG 4.28Å; Y217-R453 HydrophobicContact CG-CG 3.93Å; A451-R453 PolarHBondContact O-N 3.07Å; R453-Q457 VanDerWaalsContact O-CB 3.31Å; R453-Q457 WeakPolarHBondContact O-CB 3.48Å; R453-Q457 PolarHBondContact O-N 3.04Å; R453-L458 WeakPolarHBondContact O-CG 3.39Å; R453-L458 PolarHBondContact O-N 3.01Å; R453-D779 IonicContact CZ-OD1 3.54Å; R453-D779 IonicContact CZ-OD2 2.69Å; R453-D779 IonicContact NH1-OD1 2.74Å; R453-D779 PolarHBondContact NH1-OD1 3.25Å; R453-D779 IonicContact NH1-OD2 3.65Å; R453-D779 PolarHBondContact NH1-OD2 3.22Å; R453-D779 IonicContact NH2-OD1 3.58Å; R453-D779 PolarHBondContact NH2-OD1 2.79Å
454R98.3Very high97.6Very high9 Ų911.8 Ų11.83%0.0347%0.068CC..Iπ-helixtrans-77.5-52.2179.7-173.3166.2-67.3-93.95112.7P70 K72 S76 A451 M452 T456 A459 E618P70-R454 PolarHBondContact O-NE 2.87Å; P70-R454 PolarHBondContact O-NH2 3.24Å; K72-R454 PolarHBondContact O-NH1 3.05Å; K72-R454 VanDerWaalsContact O-NH1 3.07Å; K72-R454 PolarHBondContact O-NH2 3.13Å; S76-R454 VanDerWaalsContact CB-NH2 3.25Å; S76-R454 PolarHBondContact OG-NH2 3.09Å; A451-R454 PolarHBondContact O-N 2.86Å; M452-R454 VanDerWaalsContact C-N 3.28Å; M452-R454 PolarHBondContact O-N 3.26Å; R454-T456 VanDerWaalsContact C-N 3.3Å; R454-T456 PolarHBondContact O-N 2.83Å; R454-A459 WeakPolarHBondContact O-CB 3.36Å; R454-A459 PolarHBondContact O-N 3.4Å; R454-E618 VanDerWaalsContact CD-OE1 3.3Å; R454-E618 WeakPolarHBondContact CD-OE1 3.27Å; R454-E618 WeakPolarHBondContact CG-OE1 3.44Å; R454-E618 IonicContact CZ-OE1 3.94Å; R454-E618 IonicContact NE-OE1 3.79Å; R454-E618 IonicContact NH1-OE1 2.75Å; R454-E618 PolarHBondContact NH1-OE1 2.64Å
455W98.4Very high97.7Very high2 Ų217 Ų171%0.0089%0.088CC..Iπ-helixtrans-82.3-3.4-166-61.7112.7000115.2R117 I450 A451 V614 A617 E618 I621 K644 L647 N648R117-W455 HydrophobicContact CG-CZ2 3.98Å; I450-W455 HydrophobicContact CD1-CB 4.34Å; A451-W455 VanDerWaalsContact O-CD1 3.26Å; A451-W455 PolarHBondContact O-N 3.18Å; A451-W455 VanDerWaalsContact O-N 3.1Å; W455-V614 HydrophobicContact CH2-CG1 4Å; W455-V614 HydrophobicContact CZ2-CG1 4.42Å; W455-A617 HydrophobicContact CH2-CB 3.9Å; W455-A617 HydrophobicContact CZ3-CB 3.8Å; W455-E618 HydrophobicContact CZ3-CG 4.07Å; W455-I621 HydrophobicContact CE3-CD1 3.77Å; W455-I621 HydrophobicContact CH2-CD1 4.4Å; W455-I621 HydrophobicContact CZ3-CD1 3.57Å; W455-K644 HydrophobicContact CB-CG 4.26Å; W455-K644 HydrophobicContact CD2-CD 3.54Å; W455-K644 HydrophobicContact CD2-CG 3.82Å; W455-K644 HydrophobicContact CE3-CD 3.81Å; W455-K644 HydrophobicContact CE3-CG 4.28Å; W455-K644 HydrophobicContact CG-CD 4.05Å; W455-K644 HydrophobicContact CG-CG 3.78Å; W455-K644 HydrophobicContact CH2-CD 4.11Å; W455-K644 HydrophobicContact CZ2-CD 3.85Å; W455-K644 HydrophobicContact CZ3-CD 4.09Å; W455-L647 HydrophobicContact CB-CD2 4.36Å; W455-N648 PolarHBondContact O-ND2 2.92Å
456T97Very high97.7Very high0 Ų016.2 Ų16.20%09%0.085CC..Iπ-helixtrans-133.8-56.6171.4-49.30000111.3M452 R454 L458 N460 S464 L467 W475 L647M452-T456 PolarHBondContact O-N 2.95Å; R454-T456 VanDerWaalsContact C-N 3.3Å; R454-T456 PolarHBondContact O-N 2.83Å; T456-L458 PolarHBondContact O-N 3.17Å; T456-N460 CarbonylContact O-C 3.51Å; T456-N460 VanDerWaalsContact O-CA 3.27Å; T456-N460 WeakPolarHBondContact O-CA 3.33Å; T456-N460 PolarHBondContact O-N 3.45Å; T456-S464 PolarHBondContact O-OG 2.87Å; T456-S464 VanDerWaalsContact O-OG 3.08Å; T456-L467 HydrophobicContact CG2-CD1 4.25Å; T456-W475 HydrophobicContact CG2-CH2 3.91Å; T456-W475 HydrophobicContact CG2-CZ3 4Å; T456-L647 WeakPolarHBondContact OG1-CD2 3.24Å; T456-L647 WeakPolarHBondContact OG1-CG 3.32Å
457Q97.5Very high97.8Very high10 Ų1016.1 Ų16.15%0.0478%0.084CC..Iπ-helixtrans-65.3-38.9-172.1-53.3-179.137.800112.6L79 Y217 M452 R453 S464 W475 R476L79-Q457 HydrophobicContact CD2-CB 3.87Å; Y217-Q457 PolarHBondContact OH-OE1 3.24Å; M452-Q457 PolarHBondContact O-N 3.4Å; M452-Q457 VanDerWaalsContact O-N 3.16Å; R453-Q457 VanDerWaalsContact O-CB 3.31Å; R453-Q457 WeakPolarHBondContact O-CB 3.48Å; R453-Q457 PolarHBondContact O-N 3.04Å; Q457-S464 WeakPolarHBondContact CA-OG 3.31Å; Q457-W475 HydrophobicContact CG-CH2 3.69Å; Q457-W475 HydrophobicContact CG-CZ3 3.9Å; Q457-R476 PolarHBondContact NE2-O 2.92Å
458L97.4Very high97.8Very high14 Ų1417.6 Ų17.67%0.0739%0.092CC..Iπ-helixtrans-87.8-51174.5-64.4178.5000113.1K75 L79 L84 R453 T456 N460 P461K75-L458 HydrophobicContact CB-CD1 4.48Å; K75-L458 HydrophobicContact CB-CD2 4Å; L79-L458 HydrophobicContact CB-CD2 3.89Å; L79-L458 HydrophobicContact CD2-CD1 4.31Å; L79-L458 HydrophobicContact CD2-CD2 3.76Å; L79-L458 HydrophobicContact CD2-CG 3.69Å; L79-L458 HydrophobicContact CG-CD2 4.34Å; L84-L458 HydrophobicContact CD2-CD2 3.89Å; R453-L458 WeakPolarHBondContact O-CG 3.39Å; R453-L458 PolarHBondContact O-N 3.01Å; T456-L458 PolarHBondContact O-N 3.17Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.45Å; L458-P461 WeakPolarHBondContact O-CD 3.19Å
459A97.9Very high97.8Very high6 Ų623 Ų235%0.0512%0.117CC..THydrogen-bonded Turntrans-66.8-33.9-174.500000112.3R454 E618 P622R454-A459 WeakPolarHBondContact O-CB 3.36Å; R454-A459 PolarHBondContact O-N 3.4Å; A459-E618 HydrophobicContact CB-CB 4.07Å; A459-E618 HydrophobicContact CB-CG 4.12Å; A459-P622 HydrophobicContact CB-CG 3.95Å; A459-P622 VanDerWaalsContact O-CG 3.27Å; A459-P622 WeakPolarHBondContact O-CG 3.47Å
460N98.3Very high97.8Very high0 Ų024.8 Ų24.80%012%0.124CC..  trans-133.565.3-170.5-160.4-8.3000112.6T456 L458 T462 M463 S464 N505 P622 N648T456-N460 CarbonylContact O-C 3.51Å; T456-N460 VanDerWaalsContact O-CA 3.27Å; T456-N460 WeakPolarHBondContact O-CA 3.33Å; T456-N460 PolarHBondContact O-N 3.45Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.45Å; N460-T462 PolarHBondContact O-N 3.27Å; N460-T462 PolarHBondContact OD1-OG1 3.38Å; N460-M463 HydrophobicContact CB-CB 4.12Å; N460-M463 WeakPolarHBondContact ND2-CB 3.42Å; N460-M463 PolarHBondContact O-N 3.46Å; N460-M463 WeakPolarHBondContact OD1-CB 3.33Å; N460-M463 PolarHBondContact OD1-N 2.95Å; N460-M463 VanDerWaalsContact OD1-N 3.12Å; N460-S464 WeakPolarHBondContact O-CB 3.42Å; N460-S464 PolarHBondContact O-N 2.94Å; N460-S464 PolarHBondContact O-OG 3.45Å; N460-N505 VanDerWaalsContact CG-ND2 3.32Å; N460-N505 PolarHBondContact ND2-ND2 3.37Å; N460-N505 PolarHBondContact OD1-ND2 3.31Å; N460-P622 HydrophobicContact CB-CB 3.99Å; N460-P622 HydrophobicContact CB-CG 4.03Å; N460-N648 VanDerWaalsContact CB-OD1 3.25Å; N460-N648 WeakPolarHBondContact CB-OD1 3.39Å; N460-N648 PolarHBondContact ND2-OD1 2.79Å
461P96.6Very high97.8Very high63 Ų6325.4 Ų25.441%0.40913%0.127SC..Hα-helixtrans-63.4-30.7-179.925.8-34.6000112.5L458 S464 K465L458-P461 WeakPolarHBondContact O-CD 3.19Å; P461-S464 PolarHBondContact O-N 3.42Å; P461-K465 PolarHBondContact O-N 3.31Å
462T97.4Very high97.8Very high40 Ų4026.9 Ų26.925%0.24514%0.142CC..Hα-helixtrans-64.1-47175.948.10000111.4N460 V466 E504 N505N460-T462 PolarHBondContact O-N 3.27Å; N460-T462 PolarHBondContact OD1-OG1 3.38Å; T462-V466 PolarHBondContact O-N 3.4Å; T462-E504 HydrophobicContact CG2-CG 4.13Å; T462-N505 PolarHBondContact OG1-OD1 2.93Å
463M98.2Very high97.8Very high1 Ų131.3 Ų31.31%0.00517%0.169CC..Hα-helixtrans-66.5-40.8173.6-173.764.771.300112N460 K465 V466 L467 L498 A501 I770N460-M463 HydrophobicContact CB-CB 4.12Å; N460-M463 WeakPolarHBondContact ND2-CB 3.42Å; N460-M463 PolarHBondContact O-N 3.46Å; N460-M463 WeakPolarHBondContact OD1-CB 3.33Å; N460-M463 PolarHBondContact OD1-N 2.95Å; N460-M463 VanDerWaalsContact OD1-N 3.12Å; M463-K465 VanDerWaalsContact C-N 3.26Å; M463-K465 PolarHBondContact O-N 3.2Å; M463-V466 WeakPolarHBondContact O-CB 3.24Å; M463-V466 PolarHBondContact O-N 3.34Å; M463-V466 VanDerWaalsContact O-N 3.08Å; M463-L467 HydrophobicContact CG-CD1 4.27Å; M463-L467 HydrophobicContact CG-CG 4.43Å; M463-L467 WeakPolarHBondContact O-CG 3.01Å; M463-L467 PolarHBondContact O-N 2.82Å; M463-L498 HydrophobicContact CE-CD2 4.27Å; M463-L498 HydrophobicContact SD-CD2 3.31Å; M463-L498 WeakPolarHBondContact SD-CD2 3.23Å; M463-A501 HydrophobicContact CE-CB 4.2Å; M463-A501 HydrophobicContact SD-CB 4.49Å; M463-I770 HydrophobicContact CE-CD1 3.94Å; M463-I770 HydrophobicContact SD-CD1 3.97Å
464S98.1Very high97.8Very high1 Ų133.5 Ų33.51%0.00719%0.185CC..Hα-helixtrans-59.2-39179.5-590000111.8T456 Q457 N460 P461 L467 D468T456-S464 PolarHBondContact O-OG 2.87Å; T456-S464 VanDerWaalsContact O-OG 3.08Å; Q457-S464 WeakPolarHBondContact CA-OG 3.31Å; N460-S464 WeakPolarHBondContact O-CB 3.42Å; N460-S464 PolarHBondContact O-N 2.94Å; N460-S464 PolarHBondContact O-OG 3.45Å; P461-S464 PolarHBondContact O-N 3.42Å; S464-L467 PolarHBondContact O-N 3.03Å; S464-D468 PolarHBondContact O-N 2.93Å
465K98Very high97.7Very high149 Ų14933.1 Ų33.165%0.64818%0.184SC*.Hα-helixtrans-61.6-43.2174.2-175.7-179.3177.1-176.20112.3P461 M463 D468 E469P461-K465 PolarHBondContact O-N 3.31Å; M463-K465 VanDerWaalsContact C-N 3.26Å; M463-K465 PolarHBondContact O-N 3.2Å; K465-D468 PolarHBondContact O-N 2.93Å; K465-E469 WeakPolarHBondContact O-CB 3.14Å; K465-E469 PolarHBondContact O-N 3.3Å
466V98.5Very high97.6Very high15 Ų1534.9 Ų34.99%0.09119%0.19CC..Hα-helixtrans-63.3-44.3176.5178.70000110.3T462 M463 E469 Y470 A497 L498 A501T462-V466 PolarHBondContact O-N 3.4Å; M463-V466 WeakPolarHBondContact O-CB 3.24Å; M463-V466 PolarHBondContact O-N 3.34Å; M463-V466 VanDerWaalsContact O-N 3.08Å; V466-E469 PolarHBondContact O-N 3.39Å; V466-Y470 HydrophobicContact CG1-CD2 3.83Å; V466-Y470 HydrophobicContact CG1-CE2 4.02Å; V466-Y470 VanDerWaalsContact O-CD2 3.26Å; V466-Y470 WeakPolarHBondContact O-CD2 3.48Å; V466-Y470 PolarHBondContact O-N 3.26Å; V466-A497 HydrophobicContact CG1-CB 3.89Å; V466-A497 HydrophobicContact CG2-CB 4.28Å; V466-L498 HydrophobicContact CB-CD2 4.47Å; V466-L498 HydrophobicContact CG1-CD2 3.71Å; V466-L498 HydrophobicContact CG1-CG 4.22Å; V466-A501 HydrophobicContact CG2-CB 4.21Å
467L98.4Very high97.4Very high1 Ų140.9 Ų40.91%0.00522%0.217CC..Hα-helixtrans-60.9-47.3176.7-65172.9000111.5T456 M463 S464 E469 Y470 I471 W475 L482 L485 I770T456-L467 HydrophobicContact CG2-CD1 4.25Å; M463-L467 HydrophobicContact CG-CD1 4.27Å; M463-L467 HydrophobicContact CG-CG 4.43Å; M463-L467 WeakPolarHBondContact O-CG 3.01Å; M463-L467 PolarHBondContact O-N 2.82Å; S464-L467 PolarHBondContact O-N 3.03Å; L467-E469 VanDerWaalsContact C-N 3.27Å; L467-E469 PolarHBondContact O-N 3.09Å; L467-Y470 PolarHBondContact O-N 2.92Å; L467-I471 HydrophobicContact CB-CD1 4.44Å; L467-I471 HydrophobicContact CB-CG1 4.3Å; L467-I471 HydrophobicContact CD2-CD1 4.17Å; L467-I471 WeakPolarHBondContact O-CG1 3.31Å; L467-I471 PolarHBondContact O-N 3.07Å; L467-W475 HydrophobicContact CB-CZ2 4.04Å; L467-W475 HydrophobicContact CD1-CH2 4.17Å; L467-W475 HydrophobicContact CD1-CZ2 4.06Å; L467-W475 HydrophobicContact CD1-CZ3 4.47Å; L467-L482 HydrophobicContact CD1-CD2 3.86Å; L467-L482 HydrophobicContact CD2-CD2 4.26Å; L467-L485 HydrophobicContact CD2-CD1 4.24Å; L467-L485 HydrophobicContact CD2-CD2 4.03Å; L467-I770 HydrophobicContact CD2-CG2 4.12Å
468D98.1Very high97.3Very high40 Ų4046.1 Ų46.121%0.21424%0.241CC..Hα-helixtrans-59.6-37.4178.4-68-17.4000112.9S464 K465 G472 V473 W475 R476S464-D468 PolarHBondContact O-N 2.93Å; K465-D468 PolarHBondContact O-N 2.93Å; D468-G472 WeakPolarHBondContact CA-O 3.43Å; D468-G472 VanDerWaalsContact O-CA 3.24Å; D468-G472 WeakPolarHBondContact O-CA 3.25Å; D468-G472 PolarHBondContact O-N 3.29Å; D468-V473 HydrophobicContact CB-CG1 4.1Å; D468-W475 PolarHBondContact OD1-NE1 3.09Å; D468-R476 IonicContact OD1-CZ 2.8Å; D468-R476 IonicContact OD1-NE 3.87Å; D468-R476 PolarHBondContact OD1-NE 3.15Å; D468-R476 IonicContact OD1-NH2 2.93Å; D468-R476 IonicContact OD2-CZ 2.72Å; D468-R476 VanDerWaalsContact OD2-CZ 3.29Å; D468-R476 IonicContact OD2-NE 3.95Å; D468-R476 PolarHBondContact OD2-NE 3.18Å; D468-R476 VanDerWaalsContact OD2-NE 3.15Å; D468-R476 IonicContact OD2-NH2 3.89Å; D468-R476 PolarHBondContact OD2-NH2 3Å
469E98.3Very high97.2Very high123 Ų12345.8 Ų45.858%0.57524%0.24SC*.Hα-helixtrans-67.8-43.3-179.8-175.8176.2165.200112.7K465 V466 L467K465-E469 WeakPolarHBondContact O-CB 3.14Å; K465-E469 PolarHBondContact O-N 3.3Å; V466-E469 PolarHBondContact O-N 3.39Å; L467-E469 VanDerWaalsContact C-N 3.27Å; L467-E469 PolarHBondContact O-N 3.09Å
470Y97.9Very high97.1Very high37 Ų3753 Ų5315%0.14527%0.265CS..Hα-helixtrans-98.6-31.6-171.6-68.3-75.1000114.4V466 L467 Y488 Q493 V494 A497V466-Y470 HydrophobicContact CG1-CD2 3.83Å; V466-Y470 HydrophobicContact CG1-CE2 4.02Å; V466-Y470 VanDerWaalsContact O-CD2 3.26Å; V466-Y470 WeakPolarHBondContact O-CD2 3.48Å; V466-Y470 PolarHBondContact O-N 3.26Å; L467-Y470 PolarHBondContact O-N 2.92Å; Y470-Y488 HydrophobicContact CD1-CE1 4.45Å; Y470-Y488 WeakPolarHBondContact O-CE2 3.34Å; Y470-Y488 PolarHBondContact O-OH 3.37Å; Y470-Q493 PolarHBondContact OH-NE2 3.44Å; Y470-V494 HydrophobicContact CD1-CG2 3.41Å; Y470-V494 VanDerWaalsContact CD1-CG2 3.41Å; Y470-V494 HydrophobicContact CD2-CG1 4.44Å; Y470-V494 HydrophobicContact CD2-CG2 4.2Å; Y470-V494 HydrophobicContact CE1-CG2 3.49Å; Y470-V494 VanDerWaalsContact CE1-CG2 3.49Å; Y470-V494 HydrophobicContact CE2-CG2 4.29Å; Y470-V494 HydrophobicContact CG-CG1 4.45Å; Y470-V494 HydrophobicContact CG-CG2 3.8Å; Y470-A497 HydrophobicContact CE2-CB 4.07Å
471I98Very high97.1Very high16 Ų1655.3 Ų55.38%0.08228%0.278CS..Hα-helixtrans-1175-178.764.9161.6000113.4L467 W475 L482 L484 L485 Y488L467-I471 HydrophobicContact CB-CD1 4.44Å; L467-I471 HydrophobicContact CB-CG1 4.3Å; L467-I471 HydrophobicContact CD2-CD1 4.17Å; L467-I471 WeakPolarHBondContact O-CG1 3.31Å; L467-I471 PolarHBondContact O-N 3.07Å; I471-W475 HydrophobicContact CD1-CB 4.33Å; I471-W475 HydrophobicContact CD1-CG 4.26Å; I471-L482 HydrophobicContact CD1-CD2 4.1Å; I471-L484 HydrophobicContact CB-CB 4.02Å; I471-L484 HydrophobicContact CG2-CB 3.88Å; I471-L485 HydrophobicContact CG2-CB 4.19Å; I471-L485 HydrophobicContact CG2-CD1 4.11Å; I471-Y488 HydrophobicContact CG2-CD2 4.36Å; I471-Y488 HydrophobicContact CG2-CE2 4.05Å
472G97.7Very high97.1Very high32 Ų3252.3 Ų52.333%0.3326%0.259SS..  trans75.6-174.3-177.300000112.9D468 W475D468-G472 WeakPolarHBondContact CA-O 3.43Å; D468-G472 VanDerWaalsContact O-CA 3.24Å; D468-G472 WeakPolarHBondContact O-CA 3.25Å; D468-G472 PolarHBondContact O-N 3.29Å; G472-W475 PolarHBondContact O-NE1 3.26Å
473V96.9Very high97.2Very high94 Ų9457.9 Ų57.957%0.5728%0.275SS*.SBendtrans-96.5-1.2-173.4-620000114.2D468 W475 R476D468-V473 HydrophobicContact CB-CG1 4.1Å; V473-W475 VanDerWaalsContact C-N 3.28Å; V473-W475 PolarHBondContact O-N 2.75Å; V473-R476 WeakPolarHBondContact O-CB 3.28Å; V473-R476 PolarHBondContact O-N 3.23Å; V473-R476 VanDerWaalsContact O-N 3.17Å
474S97Very high97.2Very high51 Ų5161.3 Ų61.336%0.35729%0.293SS..G310 helixtrans-62.9-34.4-173660000112.5R476 K477 Q478 D481S474-R476 PolarHBondContact O-N 3.32Å; S474-K477 PolarHBondContact O-N 3.17Å; S474-Q478 PolarHBondContact O-N 3Å; S474-D481 WeakPolarHBondContact CB-OD2 3.39Å; S474-D481 PolarHBondContact OG-OD2 2.66Å
475W97Very high97.2Very high0 Ų061.3 Ų61.30%029%0.293CS..G310 helixtrans-55.2-25.5177.271.7-90.6000114T456 Q457 L467 D468 I471 G472 V473 K477 Q478 P479 D481 L482T456-W475 HydrophobicContact CG2-CH2 3.91Å; T456-W475 HydrophobicContact CG2-CZ3 4Å; Q457-W475 HydrophobicContact CG-CH2 3.69Å; Q457-W475 HydrophobicContact CG-CZ3 3.9Å; L467-W475 HydrophobicContact CB-CZ2 4.04Å; L467-W475 HydrophobicContact CD1-CH2 4.17Å; L467-W475 HydrophobicContact CD1-CZ2 4.06Å; L467-W475 HydrophobicContact CD1-CZ3 4.47Å; D468-W475 PolarHBondContact OD1-NE1 3.09Å; I471-W475 HydrophobicContact CD1-CB 4.33Å; I471-W475 HydrophobicContact CD1-CG 4.26Å; G472-W475 PolarHBondContact O-NE1 3.26Å; V473-W475 VanDerWaalsContact C-N 3.28Å; V473-W475 PolarHBondContact O-N 2.75Å; W475-K477 VanDerWaalsContact C-N 3.26Å; W475-K477 PolarHBondContact O-N 3.31Å; W475-Q478 WeakPolarHBondContact CA-O 3.37Å; W475-Q478 CarbonylContact O-C 3.51Å; W475-P479 WeakPolarHBondContact O-CA 3.5Å; W475-D481 HydrophobicContact CB-CB 4.12Å; W475-L482 HydrophobicContact CB-CD2 4.03Å; W475-L482 HydrophobicContact CB-CG 4.22Å; W475-L482 HydrophobicContact CD2-CD2 4.05Å; W475-L482 HydrophobicContact CE3-CD2 4.01Å; W475-L482 HydrophobicContact CG-CD2 4.07Å
476R95.7Very high97.2Very high39 Ų3956.9 Ų56.915%0.14728%0.276CS..G310 helixtrans-65.6-28.8178.9-63.8178.6168-101.48.3112.7Y217 Q457 D468 V473 S474Y217-R476 HydrophobicContact CE1-CB 4.49Å; Q457-R476 PolarHBondContact NE2-O 2.92Å; D468-R476 IonicContact OD1-CZ 2.8Å; D468-R476 IonicContact OD1-NE 3.87Å; D468-R476 PolarHBondContact OD1-NE 3.15Å; D468-R476 IonicContact OD1-NH2 2.93Å; D468-R476 IonicContact OD2-CZ 2.72Å; D468-R476 VanDerWaalsContact OD2-CZ 3.29Å; D468-R476 IonicContact OD2-NE 3.95Å; D468-R476 PolarHBondContact OD2-NE 3.18Å; D468-R476 VanDerWaalsContact OD2-NE 3.15Å; D468-R476 IonicContact OD2-NH2 3.89Å; D468-R476 PolarHBondContact OD2-NH2 3Å; V473-R476 WeakPolarHBondContact O-CB 3.28Å; V473-R476 PolarHBondContact O-N 3.23Å; V473-R476 VanDerWaalsContact O-N 3.17Å; S474-R476 PolarHBondContact O-N 3.32Å
477K93.5Very high97.1Very high127 Ų12762.3 Ų62.355%0.55231%0.305SS*.THydrogen-bonded Turntrans-107.3-29.6174.1-67.8-174.1178.5-175.90112.6Y217 S474 W475 P479Y217-K477 HydrophobicContact CD1-CG 4.25Å; Y217-K477 HydrophobicContact CE1-CG 3.89Å; S474-K477 PolarHBondContact O-N 3.17Å; W475-K477 VanDerWaalsContact C-N 3.26Å; W475-K477 PolarHBondContact O-N 3.31Å; K477-P479 VanDerWaalsContact C-CD 3.46Å; K477-P479 VanDerWaalsContact O-CD 3.3Å; K477-P479 WeakPolarHBondContact O-CD 3.42Å
478Q94.6Very high97.1Very high120 Ų12065.6 Ų65.656%0.56132%0.318SS*.  trans-118.778.4179.8-64.6-60.2-21.300110.4S474 W475 R480 D481S474-Q478 PolarHBondContact O-N 3Å; W475-Q478 WeakPolarHBondContact CA-O 3.37Å; W475-Q478 CarbonylContact O-C 3.51Å; Q478-R480 PolarHBondContact O-N 3.26Å; Q478-D481 WeakPolarHBondContact O-CB 3.47Å; Q478-D481 PolarHBondContact O-N 2.95Å
479P95.4Very high97Very high6 Ų666.8 Ų66.84%0.03932%0.322CS..G310 helixtrans-43.3-31-178.2-38.539.8000117.1M452 W475 K477 D481 L482 G774 S777 D779M452-P479 HydrophobicContact CE-CB 3.84Å; M452-P479 HydrophobicContact CG-CG 4.43Å; M452-P479 HydrophobicContact SD-CB 3.51Å; M452-P479 VanDerWaalsContact SD-CB 3.51Å; M452-P479 HydrophobicContact SD-CG 3.89Å; W475-P479 WeakPolarHBondContact O-CA 3.5Å; K477-P479 VanDerWaalsContact C-CD 3.46Å; K477-P479 VanDerWaalsContact O-CD 3.3Å; K477-P479 WeakPolarHBondContact O-CD 3.42Å; P479-D481 PolarHBondContact O-N 2.75Å; P479-L482 WeakPolarHBondContact O-CB 3.47Å; P479-L482 WeakPolarHBondContact O-CG 3.23Å; P479-L482 PolarHBondContact O-N 3.12Å; P479-G774 WeakPolarHBondContact O-CA 3.42Å; P479-S777 WeakPolarHBondContact CG-OG 3.36Å; P479-D779 WeakPolarHBondContact CG-OD2 2.92Å
480R95.6Very high97Very high157 Ų15766.1 Ų66.159%0.59232%0.319SS*.G310 helixtrans-65.4-22179.3-64.7-175-174.8-172.12.6113.2Q478 L482 R483 N780Q478-R480 PolarHBondContact O-N 3.26Å; R480-L482 PolarHBondContact O-N 3.18Å; R480-R483 WeakPolarHBondContact O-CB 3.48Å; R480-R483 WeakPolarHBondContact O-CG 3.46Å; R480-R483 PolarHBondContact O-N 3.05Å; R480-R483 VanDerWaalsContact O-N 3.07Å; R480-N780 PolarHBondContact NE-OD1 3.28Å; R480-N780 PolarHBondContact NH2-OD1 3.12Å; R480-N780 VanDerWaalsContact NH2-OD1 3.08Å
481D97.5Very high97Very high50 Ų5067.1 Ų67.127%0.26733%0.326SS..G310 helixtrans-68.3-11.8178.3-67.4-3.9000112.7S474 W475 Q478 P479 R483 L484S474-D481 WeakPolarHBondContact CB-OD2 3.39Å; S474-D481 PolarHBondContact OG-OD2 2.66Å; W475-D481 HydrophobicContact CB-CB 4.12Å; Q478-D481 WeakPolarHBondContact O-CB 3.47Å; Q478-D481 PolarHBondContact O-N 2.95Å; P479-D481 PolarHBondContact O-N 2.75Å; D481-R483 PolarHBondContact O-N 3.16Å; D481-L484 HydrophobicContact CB-CD1 4.16Å; D481-L484 VanDerWaalsContact O-CB 3.24Å; D481-L484 WeakPolarHBondContact O-CB 3.25Å; D481-L484 VanDerWaalsContact O-CG 3.25Å; D481-L484 WeakPolarHBondContact O-CG 3.44Å; D481-L484 PolarHBondContact O-N 2.67Å
482L98.1Very high97Very high0 Ų069.9 Ų69.90%034%0.341CS..G310 helixtrans-53-26.9165.8-71.3177.8000112.2M452 L467 I471 W475 P479 R480 L484 L485 L647 A771M452-L482 HydrophobicContact CE-CD1 3.74Å; M452-L482 HydrophobicContact SD-CD1 3.86Å; L467-L482 HydrophobicContact CD1-CD2 3.86Å; L467-L482 HydrophobicContact CD2-CD2 4.26Å; I471-L482 HydrophobicContact CD1-CD2 4.1Å; W475-L482 HydrophobicContact CB-CD2 4.03Å; W475-L482 HydrophobicContact CB-CG 4.22Å; W475-L482 HydrophobicContact CD2-CD2 4.05Å; W475-L482 HydrophobicContact CE3-CD2 4.01Å; W475-L482 HydrophobicContact CG-CD2 4.07Å; P479-L482 WeakPolarHBondContact O-CB 3.47Å; P479-L482 WeakPolarHBondContact O-CG 3.23Å; P479-L482 PolarHBondContact O-N 3.12Å; R480-L482 PolarHBondContact O-N 3.18Å; L482-L484 PolarHBondContact O-N 2.97Å; L482-L485 WeakPolarHBondContact O-CB 3.25Å; L482-L485 PolarHBondContact O-N 3.13Å; L482-L647 HydrophobicContact CD1-CD1 3.59Å; L482-A771 CarbonylContact C-O 3.48Å; L482-A771 VanDerWaalsContact C-O 3.31Å; L482-A771 VanDerWaalsContact O-CA 3.3Å; L482-A771 WeakPolarHBondContact O-CA 3.37Å
483R97.8Very high97.1Very high156 Ų15674.2 Ų74.259%0.58935%0.353SS*.G310 helixtrans-60.6-23.5175.9-72-172.2125.1172.2-1113.6R480 D481 L485 L486 A771 N772R480-R483 WeakPolarHBondContact O-CB 3.48Å; R480-R483 WeakPolarHBondContact O-CG 3.46Å; R480-R483 PolarHBondContact O-N 3.05Å; R480-R483 VanDerWaalsContact O-N 3.07Å; D481-R483 PolarHBondContact O-N 3.16Å; R483-L485 PolarHBondContact O-N 3.15Å; R483-L485 VanDerWaalsContact O-N 3.13Å; R483-L486 WeakPolarHBondContact O-CB 3.28Å; R483-L486 WeakPolarHBondContact O-CG 3.23Å; R483-L486 PolarHBondContact O-N 3.23Å; R483-A771 WeakPolarHBondContact CA-O 3.5Å; R483-A771 VanDerWaalsContact CG-O 3.32Å; R483-A771 WeakPolarHBondContact CG-O 3.44Å; R483-A771 PolarHBondContact N-O 3.47Å; R483-A771 VanDerWaalsContact N-O 3.14Å; R483-N772 PolarHBondContact NE-OD1 3.24Å
484L98.2Very high97.1Very high73 Ų7369.7 Ų69.738%0.38233%0.326SS..G310 helixtrans-58.9-23.4174.7-63.8174.6000112.2I471 D481 L482 L486 N487I471-L484 HydrophobicContact CB-CB 4.02Å; I471-L484 HydrophobicContact CG2-CB 3.88Å; D481-L484 HydrophobicContact CB-CD1 4.16Å; D481-L484 VanDerWaalsContact O-CB 3.24Å; D481-L484 WeakPolarHBondContact O-CB 3.25Å; D481-L484 VanDerWaalsContact O-CG 3.25Å; D481-L484 WeakPolarHBondContact O-CG 3.44Å; D481-L484 PolarHBondContact O-N 2.67Å; L482-L484 PolarHBondContact O-N 2.97Å; L484-L486 PolarHBondContact O-N 2.73Å; L484-N487 WeakPolarHBondContact O-CB 3.4Å; L484-N487 PolarHBondContact O-N 3.35Å; L484-N487 VanDerWaalsContact O-N 3.15Å; L484-N487 PolarHBondContact O-ND2 2.95Å; L484-N487 VanDerWaalsContact O-ND2 3.16Å
485L98Very high97.2Very high1 Ų167.3 Ų67.31%0.00531%0.309CS..G310 helixtrans-63.2-23.8177-166.868.9000112.4L467 I471 L482 R483 N487 Y488 V494 L498 L767 I770 A771L467-L485 HydrophobicContact CD2-CD1 4.24Å; L467-L485 HydrophobicContact CD2-CD2 4.03Å; I471-L485 HydrophobicContact CG2-CB 4.19Å; I471-L485 HydrophobicContact CG2-CD1 4.11Å; L482-L485 WeakPolarHBondContact O-CB 3.25Å; L482-L485 PolarHBondContact O-N 3.13Å; R483-L485 PolarHBondContact O-N 3.15Å; R483-L485 VanDerWaalsContact O-N 3.13Å; L485-N487 PolarHBondContact O-N 3Å; L485-N487 VanDerWaalsContact O-N 3.16Å; L485-Y488 PolarHBondContact O-N 2.93Å; L485-V494 HydrophobicContact CD1-CG1 4.2Å; L485-L498 HydrophobicContact CD2-CD1 4.32Å; L485-L767 HydrophobicContact CD2-CG 3.87Å; L485-L767 HydrophobicContact CG-CD1 4.16Å; L485-L767 HydrophobicContact CG-CD2 4.21Å; L485-L767 HydrophobicContact CG-CG 3.81Å; L485-I770 HydrophobicContact CD2-CB 4.01Å; L485-I770 HydrophobicContact CD2-CG2 3.77Å; L485-A771 HydrophobicContact CB-CB 3.94Å; L485-A771 HydrophobicContact CD2-CB 4.44Å
486L98Very high97.3Very high57 Ų5770.1 Ų70.130%0.29832%0.324SS..G310 helixtrans-60.2-23.3175.3-66.3174.4000113R483 L484 Y488 E489 L767 R768 A771R483-L486 WeakPolarHBondContact O-CB 3.28Å; R483-L486 WeakPolarHBondContact O-CG 3.23Å; R483-L486 PolarHBondContact O-N 3.23Å; L484-L486 PolarHBondContact O-N 2.73Å; L486-Y488 PolarHBondContact O-N 3.47Å; L486-Y488 VanDerWaalsContact O-N 3.15Å; L486-E489 PolarHBondContact O-N 2.97Å; L486-L767 HydrophobicContact CD2-CD2 4.46Å; L486-R768 HydrophobicContact CD2-CG 4.09Å; L486-A771 HydrophobicContact CD2-CB 3.73Å; L486-A771 HydrophobicContact CG-CB 3.75Å
487N97.9Very high97.4Very high129 Ų12969.1 Ų69.169%0.6932%0.324SS*.G310 helixtrans-65.5-13.8175.8-64-36.3000113.2L484 L485L484-N487 WeakPolarHBondContact O-CB 3.4Å; L484-N487 PolarHBondContact O-N 3.35Å; L484-N487 VanDerWaalsContact O-N 3.15Å; L484-N487 PolarHBondContact O-ND2 2.95Å; L484-N487 VanDerWaalsContact O-ND2 3.16Å; L485-N487 PolarHBondContact O-N 3Å; L485-N487 VanDerWaalsContact O-N 3.16Å
488Y98.2Very high97.6Very high70 Ų7063.4 Ų63.428%0.27530%0.299SS..G310 helixtrans-113.216-175.4-59.2-82.7000112.9Y470 I471 L485 L486 E490 D491 V494Y470-Y488 HydrophobicContact CD1-CE1 4.45Å; Y470-Y488 WeakPolarHBondContact O-CE2 3.34Å; Y470-Y488 PolarHBondContact O-OH 3.37Å; I471-Y488 HydrophobicContact CG2-CD2 4.36Å; I471-Y488 HydrophobicContact CG2-CE2 4.05Å; L485-Y488 PolarHBondContact O-N 2.93Å; L486-Y488 PolarHBondContact O-N 3.47Å; L486-Y488 VanDerWaalsContact O-N 3.15Å; Y488-E490 PolarHBondContact O-N 3.01Å; Y488-E490 VanDerWaalsContact O-N 3.17Å; Y488-D491 HydrophobicContact CD1-CB 4.24Å; Y488-D491 PolarHBondContact O-N 3.04Å; Y488-V494 HydrophobicContact CD1-CG2 3.6Å; Y488-V494 HydrophobicContact CE1-CG2 4.36Å; Y488-V494 HydrophobicContact CG-CB 4.44Å; Y488-V494 HydrophobicContact CG-CG1 4.34Å; Y488-V494 HydrophobicContact CG-CG2 3.89Å
489E96.3Very high97.8Very high64 Ų6458.9 Ų58.930%0.29928%0.282SS..THydrogen-bonded Turntrans-63.9-21.4-176.869.1171.5177.300114.4L486 Q764 L767 R768L486-E489 PolarHBondContact O-N 2.97Å; E489-Q764 WeakPolarHBondContact O-CG 3.38Å; E489-Q764 PolarHBondContact O-NE2 2.77Å; E489-L767 HydrophobicContact CB-CD2 4.17Å; E489-R768 IonicContact OE2-CZ 3.97Å; E489-R768 IonicContact OE2-NE 2.67Å; E489-R768 PolarHBondContact OE2-NE 2.95Å; E489-R768 IonicContact OE2-NH2 3.49Å; E489-R768 PolarHBondContact OE2-NH2 3.22Å
490E97.8Very high98Very high109 Ų10965 Ų6551%0.50931%0.31SS..THydrogen-bonded Turntrans-106.34175.3-65.8-53.5147.300113.7Y488 D492 R760 Q764Y488-E490 PolarHBondContact O-N 3.01Å; Y488-E490 VanDerWaalsContact O-N 3.17Å; E490-D492 PolarHBondContact O-N 3.3Å; E490-R760 PolarHBondContact O-NH2 3.01Å; E490-R760 IonicContact OE2-CZ 3.68Å; E490-R760 IonicContact OE2-NE 3.64Å; E490-R760 IonicContact OE2-NH2 3.6Å; E490-R760 PolarHBondContact OE2-NH2 2.67Å; E490-Q764 VanDerWaalsContact CD-NE2 3.35Å; E490-Q764 PolarHBondContact OE1-NE2 2.8Å; E490-Q764 PolarHBondContact OE2-NE2 3.35Å
491D98.3Very high98.1Very high58 Ų5857.9 Ų57.931%0.3129%0.285SS..  trans-89.6105-179.2-170.7-34.5000110.8Y488 Q493 V494 L495Y488-D491 HydrophobicContact CD1-CB 4.24Å; Y488-D491 PolarHBondContact O-N 3.04Å; D491-Q493 PolarHBondContact O-N 2.84Å; D491-Q493 WeakPolarHBondContact OD1-CA 3.46Å; D491-Q493 WeakPolarHBondContact OD1-CB 3.48Å; D491-Q493 PolarHBondContact OD1-N 3.36Å; D491-V494 HydrophobicContact CB-CB 4.21Å; D491-V494 HydrophobicContact CB-CG2 4.1Å; D491-V494 PolarHBondContact O-N 3.09Å; D491-V494 PolarHBondContact OD1-N 3.35Å; D491-L495 VanDerWaalsContact O-CG 3.27Å; D491-L495 WeakPolarHBondContact O-CG 3.25Å; D491-L495 PolarHBondContact O-N 3.39Å
492D98.2Very high98.2Very high74 Ų7456.1 Ų56.140%0.39628%0.275SS..Hα-helixtrans-60.9-30.1179.2-75.7-45.6000113.3E490 N496 R760E490-D492 PolarHBondContact O-N 3.3Å; D492-N496 VanDerWaalsContact O-CB 3.23Å; D492-N496 WeakPolarHBondContact O-CB 3.45Å; D492-N496 PolarHBondContact O-N 3.1Å; D492-N496 PolarHBondContact O-ND2 3.29Å; D492-R760 IonicContact OD1-CZ 2.59Å; D492-R760 IonicContact OD1-NE 3.04Å; D492-R760 IonicContact OD1-NH1 2.81Å; D492-R760 PolarHBondContact OD1-NH1 3.13Å; D492-R760 IonicContact OD2-CZ 3.54Å; D492-R760 IonicContact OD2-NH1 2.8Å; D492-R760 PolarHBondContact OD2-NH1 3.47Å
493Q98.2Very high98.2Very high123 Ų12358 Ų5858%0.57529%0.285SS*.Hα-helixtrans-65.4-46.3177.9-174.3-177-4200110Y470 D491 N496 A497Y470-Q493 PolarHBondContact OH-NE2 3.44Å; D491-Q493 PolarHBondContact O-N 2.84Å; D491-Q493 WeakPolarHBondContact OD1-CA 3.46Å; D491-Q493 WeakPolarHBondContact OD1-CB 3.48Å; D491-Q493 PolarHBondContact OD1-N 3.36Å; Q493-N496 PolarHBondContact O-N 3.14Å; Q493-A497 WeakPolarHBondContact O-CB 3.46Å; Q493-A497 PolarHBondContact O-N 3.47Å
494V98.4Very high98.2Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-67.6-45.2177.8-179.70000111.3Y470 L485 Y488 D491 N496 A497 L498 L767Y470-V494 HydrophobicContact CD1-CG2 3.41Å; Y470-V494 VanDerWaalsContact CD1-CG2 3.41Å; Y470-V494 HydrophobicContact CD2-CG1 4.44Å; Y470-V494 HydrophobicContact CD2-CG2 4.2Å; Y470-V494 HydrophobicContact CE1-CG2 3.49Å; Y470-V494 VanDerWaalsContact CE1-CG2 3.49Å; Y470-V494 HydrophobicContact CE2-CG2 4.29Å; Y470-V494 HydrophobicContact CG-CG1 4.45Å; Y470-V494 HydrophobicContact CG-CG2 3.8Å; L485-V494 HydrophobicContact CD1-CG1 4.2Å; Y488-V494 HydrophobicContact CD1-CG2 3.6Å; Y488-V494 HydrophobicContact CE1-CG2 4.36Å; Y488-V494 HydrophobicContact CG-CB 4.44Å; Y488-V494 HydrophobicContact CG-CG1 4.34Å; Y488-V494 HydrophobicContact CG-CG2 3.89Å; D491-V494 HydrophobicContact CB-CB 4.21Å; D491-V494 HydrophobicContact CB-CG2 4.1Å; D491-V494 PolarHBondContact O-N 3.09Å; D491-V494 PolarHBondContact OD1-N 3.35Å; V494-N496 VanDerWaalsContact C-N 3.28Å; V494-N496 PolarHBondContact O-N 3.3Å; V494-A497 PolarHBondContact O-N 3.34Å; V494-A497 VanDerWaalsContact O-N 3.17Å; V494-L498 HydrophobicContact CG1-CD1 4.2Å; V494-L498 HydrophobicContact CG1-CG 4.4Å; V494-L498 WeakPolarHBondContact O-CG 3.25Å; V494-L498 PolarHBondContact O-N 2.92Å; V494-L767 HydrophobicContact CG1-CD1 4.41Å
495L98.6Very high98.3Very high1 Ų151 Ų511%0.00526%0.257CS..Hα-helixtrans-59-39.4177.1-67.7174.8000112D491 A499 R760 R763 Q764 L767D491-L495 VanDerWaalsContact O-CG 3.27Å; D491-L495 WeakPolarHBondContact O-CG 3.25Å; D491-L495 PolarHBondContact O-N 3.39Å; L495-A499 WeakPolarHBondContact O-CB 3.38Å; L495-A499 PolarHBondContact O-N 3.12Å; L495-R760 HydrophobicContact CD1-CG 4.42Å; L495-R763 HydrophobicContact CB-CB 4.08Å; L495-R763 HydrophobicContact CD2-CB 3.94Å; L495-R763 HydrophobicContact CG-CB 4.48Å; L495-Q764 HydrophobicContact CD1-CG 3.96Å; L495-Q764 HydrophobicContact CD2-CG 4.13Å; L495-L767 HydrophobicContact CD2-CB 4.16Å; L495-L767 HydrophobicContact CD2-CD1 3.73Å
496N98.4Very high98.3Very high59 Ų5951.1 Ų51.132%0.31626%0.258SS..Hα-helixtrans-67.9-44.6174.7-75.2-42000111.7D492 Q493 V494 L498 A499 E500 R763D492-N496 VanDerWaalsContact O-CB 3.23Å; D492-N496 WeakPolarHBondContact O-CB 3.45Å; D492-N496 PolarHBondContact O-N 3.1Å; D492-N496 PolarHBondContact O-ND2 3.29Å; Q493-N496 PolarHBondContact O-N 3.14Å; V494-N496 VanDerWaalsContact C-N 3.28Å; V494-N496 PolarHBondContact O-N 3.3Å; N496-L498 PolarHBondContact O-N 3.04Å; N496-A499 WeakPolarHBondContact O-CB 3.35Å; N496-A499 PolarHBondContact O-N 3.04Å; N496-A499 VanDerWaalsContact O-N 3.12Å; N496-E500 WeakPolarHBondContact O-CG 3.33Å; N496-E500 PolarHBondContact O-N 2.99Å; N496-R763 VanDerWaalsContact OD1-CZ 3.29Å; N496-R763 PolarHBondContact OD1-NH1 2.99Å; N496-R763 PolarHBondContact OD1-NH2 3.06Å
497A98.6Very high98.3Very high17 Ų1753.1 Ų53.114%0.1426%0.264CS..Hα-helixtrans-60-42.7178.700000112.5V466 Y470 Q493 V494 A499 E500 A501V466-A497 HydrophobicContact CG1-CB 3.89Å; V466-A497 HydrophobicContact CG2-CB 4.28Å; Y470-A497 HydrophobicContact CE2-CB 4.07Å; Q493-A497 WeakPolarHBondContact O-CB 3.46Å; Q493-A497 PolarHBondContact O-N 3.47Å; V494-A497 PolarHBondContact O-N 3.34Å; V494-A497 VanDerWaalsContact O-N 3.17Å; A497-A499 PolarHBondContact O-N 2.98Å; A497-E500 PolarHBondContact O-N 3.23Å; A497-A501 PolarHBondContact O-N 3.07Å
498L98.6Very high98.3Very high7 Ų751.9 Ų51.94%0.03725%0.25CC..Hα-helixtrans-62.2-42.1174.3-65.4172.6000111.7M463 V466 L485 V494 N496 A501 K502 L767 I770M463-L498 HydrophobicContact CE-CD2 4.27Å; M463-L498 HydrophobicContact SD-CD2 3.31Å; M463-L498 WeakPolarHBondContact SD-CD2 3.23Å; V466-L498 HydrophobicContact CB-CD2 4.47Å; V466-L498 HydrophobicContact CG1-CD2 3.71Å; V466-L498 HydrophobicContact CG1-CG 4.22Å; L485-L498 HydrophobicContact CD2-CD1 4.32Å; V494-L498 HydrophobicContact CG1-CD1 4.2Å; V494-L498 HydrophobicContact CG1-CG 4.4Å; V494-L498 WeakPolarHBondContact O-CG 3.25Å; V494-L498 PolarHBondContact O-N 2.92Å; N496-L498 PolarHBondContact O-N 3.04Å; L498-A501 PolarHBondContact O-N 3.19Å; L498-K502 PolarHBondContact O-N 2.89Å; L498-L767 HydrophobicContact CD1-CB 3.92Å; L498-L767 HydrophobicContact CD1-CD1 3.8Å; L498-L767 HydrophobicContact CD1-CG 3.98Å; L498-I770 HydrophobicContact CD2-CD1 4.32Å
499A98.4Very high98.4Very high25 Ų2548.7 Ų48.721%0.20724%0.237CC..Hα-helixtrans-67.3-37.4178.400000112.6L495 N496 A497 K502 L503 R763L495-A499 WeakPolarHBondContact O-CB 3.38Å; L495-A499 PolarHBondContact O-N 3.12Å; N496-A499 WeakPolarHBondContact O-CB 3.35Å; N496-A499 PolarHBondContact O-N 3.04Å; N496-A499 VanDerWaalsContact O-N 3.12Å; A497-A499 PolarHBondContact O-N 2.98Å; A499-K502 WeakPolarHBondContact O-CB 3.42Å; A499-K502 PolarHBondContact O-N 3.32Å; A499-L503 WeakPolarHBondContact O-CB 3.49Å; A499-L503 PolarHBondContact O-N 2.94Å; A499-R763 HydrophobicContact CB-CG 4.07Å
500E98.5Very high98.5Very high134 Ų13446.1 Ų46.163%0.62623%0.227SC*.Hα-helixtrans-65.6-43.2175-74.6175.4-168.600111.4N496 A497 K502 L503 E504N496-E500 WeakPolarHBondContact O-CG 3.33Å; N496-E500 PolarHBondContact O-N 2.99Å; A497-E500 PolarHBondContact O-N 3.23Å; E500-K502 VanDerWaalsContact C-N 3.33Å; E500-K502 PolarHBondContact O-N 2.77Å; E500-L503 PolarHBondContact O-N 3.25Å; E500-E504 PolarHBondContact O-N 2.91Å
501A98.5Very high98.5Very high8 Ų844 Ų447%0.06623%0.228CC..Hα-helixtrans-59.5-43.2173.700000111.9M463 V466 A497 L498 E504 N505M463-A501 HydrophobicContact CE-CB 4.2Å; M463-A501 HydrophobicContact SD-CB 4.49Å; V466-A501 HydrophobicContact CG2-CB 4.21Å; A497-A501 PolarHBondContact O-N 3.07Å; L498-A501 PolarHBondContact O-N 3.19Å; A501-E504 PolarHBondContact O-N 3.42Å; A501-N505 PolarHBondContact O-N 3.12Å; A501-N505 PolarHBondContact O-ND2 3.32Å; A501-N505 PolarHBondContact O-OD1 2.96Å
502K98.7Very high98.5Very high13 Ų1343.8 Ų43.86%0.05722%0.223CC..Hα-helixtrans-60-47.8173.4176.463.162.3-179.50111.8L498 A499 E500 E504 N505 K506 P622 A624 N648L498-K502 PolarHBondContact O-N 2.89Å; A499-K502 WeakPolarHBondContact O-CB 3.42Å; A499-K502 PolarHBondContact O-N 3.32Å; E500-K502 VanDerWaalsContact C-N 3.33Å; E500-K502 PolarHBondContact O-N 2.77Å; K502-E504 VanDerWaalsContact C-N 3.31Å; K502-E504 PolarHBondContact O-N 3.28Å; K502-N505 WeakPolarHBondContact O-CB 3.31Å; K502-N505 PolarHBondContact O-N 3.26Å; K502-K506 HydrophobicContact CD-CD 4.36Å; K502-K506 HydrophobicContact CD-CG 4.48Å; K502-K506 HydrophobicContact CG-CD 4.18Å; K502-K506 WeakPolarHBondContact O-CG 3.43Å; K502-K506 PolarHBondContact O-N 2.9Å; K502-P622 PolarHBondContact NZ-O 3.31Å; K502-A624 WeakPolarHBondContact CE-O 3.41Å; K502-A624 PolarHBondContact NZ-O 2.92Å; K502-N648 VanDerWaalsContact CE-O 3.32Å; K502-N648 WeakPolarHBondContact CE-O 3.24Å; K502-N648 PolarHBondContact NZ-O 3.19Å
503L98.7Very high98.5Very high40 Ų4040.2 Ų40.221%0.20920%0.204CC..Hα-helixtrans-62-39.5-179.4179.461.3000111.8A499 E500 N505 K506 K507 P523A499-L503 WeakPolarHBondContact O-CB 3.49Å; A499-L503 PolarHBondContact O-N 2.94Å; E500-L503 PolarHBondContact O-N 3.25Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 2.9Å; L503-K506 WeakPolarHBondContact O-CB 3.21Å; L503-K506 PolarHBondContact O-N 3.19Å; L503-K507 WeakPolarHBondContact O-CG 3.32Å; L503-K507 PolarHBondContact O-N 2.84Å; L503-P523 HydrophobicContact CD1-CB 4.18Å
504E98.6Very high98.5Very high79 Ų7938.5 Ų38.537%0.36920%0.196SC..Hα-helixtrans-62.9-40.8175.6-172.553.4-146.500111.7T462 E500 A501 K502 K506 K507 R508T462-E504 HydrophobicContact CG2-CG 4.13Å; E500-E504 PolarHBondContact O-N 2.91Å; A501-E504 PolarHBondContact O-N 3.42Å; K502-E504 VanDerWaalsContact C-N 3.31Å; K502-E504 PolarHBondContact O-N 3.28Å; E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 3.32Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 IonicContact OE2-NZ 2.9Å; E504-R508 WeakPolarHBondContact O-CG 3.36Å; E504-R508 PolarHBondContact O-N 3.15Å
505N98.7Very high98.4Very high3 Ų346.6 Ų46.62%0.01623%0.231CC..Hα-helixtrans-61.8-41.2173.9-61.5-23.3000112.1N460 T462 A501 K502 L503 R508 L509 P622 A623N460-N505 VanDerWaalsContact CG-ND2 3.32Å; N460-N505 PolarHBondContact ND2-ND2 3.37Å; N460-N505 PolarHBondContact OD1-ND2 3.31Å; T462-N505 PolarHBondContact OG1-OD1 2.93Å; A501-N505 PolarHBondContact O-N 3.12Å; A501-N505 PolarHBondContact O-ND2 3.32Å; A501-N505 PolarHBondContact O-OD1 2.96Å; K502-N505 WeakPolarHBondContact O-CB 3.31Å; K502-N505 PolarHBondContact O-N 3.26Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 2.9Å; N505-R508 PolarHBondContact O-N 3.3Å; N505-R508 PolarHBondContact OD1-NH2 3.09Å; N505-L509 PolarHBondContact O-N 3.27Å; N505-P622 HydrophobicContact CB-CB 3.96Å; N505-P622 WeakPolarHBondContact CB-O 3.46Å; N505-P622 WeakPolarHBondContact ND2-CB 3.24Å; N505-P622 PolarHBondContact ND2-O 2.9Å; N505-P622 VanDerWaalsContact ND2-O 3.15Å; N505-A623 HydrophobicContact CB-CB 4.16Å
506K98.9Very high98.3Very high4 Ų451.6 Ų51.62%0.01726%0.255CS..Hα-helixtrans-63.5-40.8176.4-69.3174.470.9-1760112.3K502 L503 E504 L509 A510 P523 A525 F527 A623 D625 Y756K502-K506 HydrophobicContact CD-CD 4.36Å; K502-K506 HydrophobicContact CD-CG 4.48Å; K502-K506 HydrophobicContact CG-CD 4.18Å; K502-K506 WeakPolarHBondContact O-CG 3.43Å; K502-K506 PolarHBondContact O-N 2.9Å; L503-K506 WeakPolarHBondContact O-CB 3.21Å; L503-K506 PolarHBondContact O-N 3.19Å; E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 3.32Å; K506-L509 PolarHBondContact O-N 3.05Å; K506-A510 VanDerWaalsContact O-CB 3.28Å; K506-A510 WeakPolarHBondContact O-CB 3.37Å; K506-A510 PolarHBondContact O-N 3.18Å; K506-P523 HydrophobicContact CB-CB 4.17Å; K506-P523 WeakPolarHBondContact CE-O 3.38Å; K506-P523 PolarHBondContact NZ-O 2.68Å; K506-A525 WeakPolarHBondContact CE-O 3.03Å; K506-A525 PolarHBondContact NZ-O 3.02Å; K506-F527 HydrophobicContact CB-CD2 4.21Å; K506-F527 HydrophobicContact CB-CE2 3.94Å; K506-F527 HydrophobicContact CB-CZ 4.35Å; K506-F527 HydrophobicContact CD-CG 4.46Å; K506-F527 HydrophobicContact CG-CD2 3.84Å; K506-F527 HydrophobicContact CG-CE2 4.11Å; K506-F527 HydrophobicContact CG-CG 4.26Å; K506-A623 HydrophobicContact CG-CB 4.08Å; K506-A623 WeakPolarHBondContact CG-O 3.32Å; K506-D625 WeakPolarHBondContact CE-OD2 3.16Å; K506-D625 IonicContact NZ-OD1 3.22Å; K506-D625 IonicContact NZ-OD2 3.83Å; K506-D625 PolarHBondContact NZ-OD2 2.92Å; K506-Y756 PolarHBondContact NZ-OH 3.41Å
507K98.8Very high98.1Very high98 Ų9851.3 Ų51.343%0.42626%0.257SS..Hα-helixtrans-61.8-44.5173.7-70.1171.9-176.3169.60111.8L503 E504 L509 A510 A511 P523L503-K507 WeakPolarHBondContact O-CG 3.32Å; L503-K507 PolarHBondContact O-N 2.84Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 IonicContact OE2-NZ 2.9Å; K507-L509 PolarHBondContact O-N 3.11Å; K507-A510 PolarHBondContact O-N 2.92Å; K507-A511 WeakPolarHBondContact O-CB 3.39Å; K507-A511 PolarHBondContact O-N 3.27Å; K507-P523 HydrophobicContact CG-CB 4.02Å; K507-P523 HydrophobicContact CG-CG 4.12Å
508R98Very high98Very high104 Ų10453.2 Ų53.239%0.39228%0.278SS..Hα-helixtrans-61.1-43176.8-68.6-170.7-62.9159.13.2111.9E504 N505 Y512E504-R508 WeakPolarHBondContact O-CG 3.36Å; E504-R508 PolarHBondContact O-N 3.15Å; N505-R508 PolarHBondContact O-N 3.3Å; N505-R508 PolarHBondContact OD1-NH2 3.09Å; R508-Y512 PolarHBondContact O-N 3.14Å; R508-Y512 VanDerWaalsContact O-N 3.12Å
509L98.7Very high97.9Very high2 Ų254.2 Ų54.21%0.0128%0.284CS..Hα-helixtrans-68.5-41.6175.6-177.362.4000112.1N505 K506 K507 A511 Y512 I513 F527 I568 L609 R619 I620 A623N505-L509 PolarHBondContact O-N 3.27Å; K506-L509 PolarHBondContact O-N 3.05Å; K507-L509 PolarHBondContact O-N 3.11Å; L509-A511 VanDerWaalsContact C-N 3.32Å; L509-A511 PolarHBondContact O-N 3.3Å; L509-Y512 WeakPolarHBondContact O-CB 3.47Å; L509-Y512 PolarHBondContact O-N 2.87Å; L509-Y512 VanDerWaalsContact O-N 3.11Å; L509-I513 HydrophobicContact CD1-CD1 4.34Å; L509-I513 HydrophobicContact CD1-CG1 4.32Å; L509-I513 HydrophobicContact CD2-CD1 4.39Å; L509-I513 HydrophobicContact CG-CD1 3.85Å; L509-I513 HydrophobicContact CG-CG1 4.29Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.23Å; L509-I513 PolarHBondContact O-N 3.28Å; L509-F527 HydrophobicContact CB-CE2 4.28Å; L509-F527 HydrophobicContact CD2-CD2 3.97Å; L509-F527 HydrophobicContact CD2-CE2 4Å; L509-F527 HydrophobicContact CG-CE2 4.33Å; L509-I568 HydrophobicContact CD2-CD1 3.71Å; L509-L609 HydrophobicContact CD1-CD1 4.29Å; L509-R619 HydrophobicContact CD1-CB 4.47Å; L509-I620 HydrophobicContact CD1-CG1 4.12Å; L509-I620 HydrophobicContact CD2-CG1 4.5Å; L509-A623 HydrophobicContact CB-CB 3.87Å; L509-A623 HydrophobicContact CD2-CB 3.7Å; L509-A623 HydrophobicContact CG-CB 4.44Å
510A98.7Very high97.8Very high11 Ų1160.4 Ų60.49%0.09131%0.309CS..Hα-helixtrans-58.9-43.4176.200000111.8K506 K507 Y512 I513 Q514 V521 P523 F527K506-A510 VanDerWaalsContact O-CB 3.28Å; K506-A510 WeakPolarHBondContact O-CB 3.37Å; K506-A510 PolarHBondContact O-N 3.18Å; K507-A510 PolarHBondContact O-N 2.92Å; A510-Y512 VanDerWaalsContact C-N 3.32Å; A510-Y512 PolarHBondContact O-N 2.81Å; A510-I513 PolarHBondContact O-N 3.47Å; A510-Q514 WeakPolarHBondContact O-CB 3.47Å; A510-Q514 PolarHBondContact O-N 3.38Å; A510-V521 HydrophobicContact CB-CG2 3.65Å; A510-P523 HydrophobicContact CB-CG 3.91Å; A510-F527 HydrophobicContact CB-CZ 4.39Å
511A98.4Very high97.8Very high63 Ų6354.5 Ų54.552%0.52128%0.282SS..Hα-helixtrans-62.5-38.6174.600000112.3K507 L509 K515K507-A511 WeakPolarHBondContact O-CB 3.39Å; K507-A511 PolarHBondContact O-N 3.27Å; L509-A511 VanDerWaalsContact C-N 3.32Å; L509-A511 PolarHBondContact O-N 3.3Å; A511-K515 VanDerWaalsContact O-CB 3.32Å; A511-K515 WeakPolarHBondContact O-CB 3.38Å; A511-K515 PolarHBondContact O-N 3.19Å
512Y97.8Very high97.7Very high54 Ų5458 Ų5821%0.21230%0.299CS..Hα-helixtrans-64.6-47.2174.2-177.4-87.6000111.7R508 L509 A510 Q514 K515 H516 L609 L616R508-Y512 PolarHBondContact O-N 3.14Å; R508-Y512 VanDerWaalsContact O-N 3.12Å; L509-Y512 WeakPolarHBondContact O-CB 3.47Å; L509-Y512 PolarHBondContact O-N 2.87Å; L509-Y512 VanDerWaalsContact O-N 3.11Å; A510-Y512 VanDerWaalsContact C-N 3.32Å; A510-Y512 PolarHBondContact O-N 2.81Å; Y512-Q514 VanDerWaalsContact C-N 3.35Å; Y512-Q514 PolarHBondContact O-N 3.29Å; Y512-K515 PolarHBondContact O-N 3.16Å; Y512-H516 AromaticContact CD2-CD2 3.44Å; Y512-H516 VanDerWaalsContact CD2-CD2 3.44Å; Y512-H516 WeakPolarHBondContact CD2-CD2 3.37Å; Y512-H516 AromaticContact CD2-NE2 3.76Å; Y512-H516 HydrophobicContact CE1-CB 4.23Å; Y512-H516 AromaticContact CE1-CD2 3.98Å; Y512-H516 AromaticContact CE2-CD2 3.3Å; Y512-H516 WeakPolarHBondContact CE2-CD2 3.16Å; Y512-H516 AromaticContact CE2-NE2 3.41Å; Y512-H516 WeakPolarHBondContact CE2-NE2 3.47Å; Y512-H516 AromaticContact CG-CD2 3.85Å; Y512-H516 AromaticContact CZ-CD2 3.58Å; Y512-H516 AromaticContact CZ-CG 3.88Å; Y512-H516 AromaticContact CZ-NE2 4Å; Y512-H516 WeakPolarHBondContact O-CB 3.34Å; Y512-H516 PolarHBondContact O-CD2 3.37Å; Y512-H516 VanDerWaalsContact O-CD2 3.31Å; Y512-H516 PolarHBondContact O-N 3.37Å; Y512-L609 HydrophobicContact CD1-CD2 4.42Å; Y512-L609 HydrophobicContact CE1-CD2 4.22Å; Y512-L616 HydrophobicContact CD1-CD1 4.31Å; Y512-L616 HydrophobicContact CE1-CD1 3.5Å; Y512-L616 VanDerWaalsContact CE1-CD1 3.5Å
513I98.5Very high97.7Very high0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-58.9-46.9177.1-68167.1000110.2L509 A510 K515 H516 C517 G518 V519 V521 I568 V607 L609L509-I513 HydrophobicContact CD1-CD1 4.34Å; L509-I513 HydrophobicContact CD1-CG1 4.32Å; L509-I513 HydrophobicContact CD2-CD1 4.39Å; L509-I513 HydrophobicContact CG-CD1 3.85Å; L509-I513 HydrophobicContact CG-CG1 4.29Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.23Å; L509-I513 PolarHBondContact O-N 3.28Å; A510-I513 PolarHBondContact O-N 3.47Å; I513-K515 VanDerWaalsContact C-N 3.34Å; I513-K515 PolarHBondContact O-N 3.25Å; I513-H516 PolarHBondContact O-N 2.95Å; I513-C517 HydrophobicContact CG2-CB 4.36Å; I513-C517 WeakPolarHBondContact O-CA 3.38Å; I513-C517 VanDerWaalsContact O-CB 3.28Å; I513-C517 WeakPolarHBondContact O-CB 3.31Å; I513-C517 PolarHBondContact O-N 2.63Å; I513-G518 PolarHBondContact O-N 3.12Å; I513-V519 HydrophobicContact CG2-CB 4.17Å; I513-V519 WeakPolarHBondContact CG2-O 3.16Å; I513-V521 HydrophobicContact CB-CG2 4.31Å; I513-V521 HydrophobicContact CD1-CG2 3.91Å; I513-V521 HydrophobicContact CG2-CG1 4.13Å; I513-V521 HydrophobicContact CG2-CG2 4.27Å; I513-I568 HydrophobicContact CD1-CD1 4.19Å; I513-V607 HydrophobicContact CD1-CG1 4.41Å; I513-V607 HydrophobicContact CD1-CG2 4.4Å; I513-V607 HydrophobicContact CG1-CG1 4.2Å; I513-V607 HydrophobicContact CG2-CB 4.47Å; I513-V607 HydrophobicContact CG2-CG1 3.87Å; I513-V607 HydrophobicContact CG2-CG2 3.78Å; I513-L609 HydrophobicContact CG1-CD2 4.14Å
514Q98.1Very high97.7Very high87 Ų8762.6 Ų62.641%0.40732%0.323SS..Hα-helixtrans-58.8-46.4177-177.862.224.900111.4A510 Y512 G518 V519A510-Q514 WeakPolarHBondContact O-CB 3.47Å; A510-Q514 PolarHBondContact O-N 3.38Å; Y512-Q514 VanDerWaalsContact C-N 3.35Å; Y512-Q514 PolarHBondContact O-N 3.29Å; Q514-G518 VanDerWaalsContact O-CA 3.28Å; Q514-G518 WeakPolarHBondContact O-CA 3.37Å; Q514-G518 PolarHBondContact O-N 2.64Å; Q514-G518 VanDerWaalsContact O-N 3.09Å; Q514-V519 PolarHBondContact OE1-O 2.98Å; Q514-V519 VanDerWaalsContact OE1-O 3.12Å
515K97.1Very high97.6Very high169 Ų16958.9 Ų58.974%0.73531%0.306SS*.Hα-helixtrans-66.7-39.4-177.8-178.4179.4177.6-177.30113.1A511 Y512 I513A511-K515 VanDerWaalsContact O-CB 3.32Å; A511-K515 WeakPolarHBondContact O-CB 3.38Å; A511-K515 PolarHBondContact O-N 3.19Å; Y512-K515 PolarHBondContact O-N 3.16Å; I513-K515 VanDerWaalsContact C-N 3.34Å; I513-K515 PolarHBondContact O-N 3.25Å
516H95Very high97.6Very high106 Ų10658.8 Ų58.849%0.49131%0.305SS..Hα-helixtrans-102.6-23.4-169.8-72.1-83.4000114.5Y512 I513Y512-H516 AromaticContact CD2-CD2 3.44Å; Y512-H516 VanDerWaalsContact CD2-CD2 3.44Å; Y512-H516 WeakPolarHBondContact CD2-CD2 3.37Å; Y512-H516 AromaticContact CD2-NE2 3.76Å; Y512-H516 HydrophobicContact CE1-CB 4.23Å; Y512-H516 AromaticContact CE1-CD2 3.98Å; Y512-H516 AromaticContact CE2-CD2 3.3Å; Y512-H516 WeakPolarHBondContact CE2-CD2 3.16Å; Y512-H516 AromaticContact CE2-NE2 3.41Å; Y512-H516 WeakPolarHBondContact CE2-NE2 3.47Å; Y512-H516 AromaticContact CG-CD2 3.85Å; Y512-H516 AromaticContact CZ-CD2 3.58Å; Y512-H516 AromaticContact CZ-CG 3.88Å; Y512-H516 AromaticContact CZ-NE2 4Å; Y512-H516 WeakPolarHBondContact O-CB 3.34Å; Y512-H516 PolarHBondContact O-CD2 3.37Å; Y512-H516 VanDerWaalsContact O-CD2 3.31Å; Y512-H516 PolarHBondContact O-N 3.37Å; I513-H516 PolarHBondContact O-N 2.95Å
517C94.7Very high97.6Very high54 Ų5458.6 Ų58.637%0.36531%0.305SS..Hα-helixtrans-117.3-12.8-179.2-560000113I513 V519I513-C517 HydrophobicContact CG2-CB 4.36Å; I513-C517 WeakPolarHBondContact O-CA 3.38Å; I513-C517 VanDerWaalsContact O-CB 3.28Å; I513-C517 WeakPolarHBondContact O-CB 3.31Å; I513-C517 PolarHBondContact O-N 2.63Å; C517-V519 HydrophobicContact CB-CG2 4.31Å; C517-V519 PolarHBondContact O-N 3.15Å
518G96Very high97.6Very high57 Ų5754 Ų5459%0.58828%0.284SS*.  trans69.714.1-176.900000114.3I513 Q514I513-G518 PolarHBondContact O-N 3.12Å; Q514-G518 VanDerWaalsContact O-CA 3.28Å; Q514-G518 WeakPolarHBondContact O-CA 3.37Å; Q514-G518 PolarHBondContact O-N 2.64Å; Q514-G518 VanDerWaalsContact O-N 3.09Å
519V96.8Very high97.7Very high27 Ų2749 Ų4916%0.16427%0.266CS..  trans-104.3122.2-178.6-177.20000109.8I513 Q514 C517 V521 K605 V607I513-V519 HydrophobicContact CG2-CB 4.17Å; I513-V519 WeakPolarHBondContact CG2-O 3.16Å; Q514-V519 PolarHBondContact OE1-O 2.98Å; Q514-V519 VanDerWaalsContact OE1-O 3.12Å; C517-V519 HydrophobicContact CB-CG2 4.31Å; C517-V519 PolarHBondContact O-N 3.15Å; V519-V521 HydrophobicContact CG1-CG1 3.98Å; V519-K605 HydrophobicContact CG1-CD 4.5Å; V519-V607 HydrophobicContact CG1-CG2 4.38Å
520E97.2Very high97.7Very high156 Ų15649 Ų4973%0.72927%0.265SS*.  trans-81.9125.9174.2-169176.1165.200109.4
521V98Very high97.7Very high9 Ų948.6 Ų48.66%0.05526%0.262CS..  trans-126.1135.8-179.1-62.60000110.5A510 I513 V519 P523 F527 V566 K605 V607A510-V521 HydrophobicContact CB-CG2 3.65Å; I513-V521 HydrophobicContact CB-CG2 4.31Å; I513-V521 HydrophobicContact CD1-CG2 3.91Å; I513-V521 HydrophobicContact CG2-CG1 4.13Å; I513-V521 HydrophobicContact CG2-CG2 4.27Å; V519-V521 HydrophobicContact CG1-CG1 3.98Å; V521-P523 VanDerWaalsContact O-CD 3.28Å; V521-P523 WeakPolarHBondContact O-CD 3.38Å; V521-F527 HydrophobicContact CG2-CZ 4.04Å; V521-V566 HydrophobicContact CB-CG1 4.12Å; V521-V566 HydrophobicContact CB-CG2 3.98Å; V521-V566 HydrophobicContact CG1-CG1 3.8Å; V521-V566 HydrophobicContact CG1-CG2 4.3Å; V521-K605 HydrophobicContact CG1-CB 4.34Å; V521-K605 HydrophobicContact CG1-CG 4.47Å; V521-V607 HydrophobicContact CG1-CG2 3.97Å
522N97.6Very high97.6Very high81 Ų8146.3 Ų46.343%0.43324%0.24SC..  trans-76.6116.7-178.8177.54.3000111.2Q524 A525 F527N522-Q524 PolarHBondContact O-N 3.43Å; N522-Q524 VanDerWaalsContact O-N 3.09Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.39Å; N522-Q524 PolarHBondContact OD1-N 3Å; N522-A525 HydrophobicContact CB-CB 4.24Å; N522-A525 VanDerWaalsContact O-CB 3.23Å; N522-A525 WeakPolarHBondContact O-CB 3.49Å; N522-A525 PolarHBondContact O-N 3.1Å; N522-F527 WeakPolarHBondContact O-CE1 3.05Å
523P98.2Very high97.5Very high31 Ų3148.6 Ų48.620%0.20125%0.248CC..THydrogen-bonded Turntrans-66.5-9.4178.2-19.733.3000114.8L503 K506 K507 A510 V521L503-P523 HydrophobicContact CD1-CB 4.18Å; K506-P523 HydrophobicContact CB-CB 4.17Å; K506-P523 WeakPolarHBondContact CE-O 3.38Å; K506-P523 PolarHBondContact NZ-O 2.68Å; K507-P523 HydrophobicContact CG-CB 4.02Å; K507-P523 HydrophobicContact CG-CG 4.12Å; A510-P523 HydrophobicContact CB-CG 3.91Å; V521-P523 VanDerWaalsContact O-CD 3.28Å; V521-P523 WeakPolarHBondContact O-CD 3.38Å
524Q97.4Very high97.4Very high119 Ų11949 Ų4956%0.55625%0.25SS*.THydrogen-bonded Turntrans-87.8-15.1173.1-57.9-63.5-10.300113.1N522N522-Q524 PolarHBondContact O-N 3.43Å; N522-Q524 VanDerWaalsContact O-N 3.09Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.39Å; N522-Q524 PolarHBondContact OD1-N 3Å
525A98Very high97.3Very high2 Ų246.9 Ų46.92%0.01724%0.24CC..SBendtrans-69.6154.9174.500000111K506 N522 F527 P564 V566K506-A525 WeakPolarHBondContact CE-O 3.03Å; K506-A525 PolarHBondContact NZ-O 3.02Å; N522-A525 HydrophobicContact CB-CB 4.24Å; N522-A525 VanDerWaalsContact O-CB 3.23Å; N522-A525 WeakPolarHBondContact O-CB 3.49Å; N522-A525 PolarHBondContact O-N 3.1Å; A525-F527 PolarHBondContact O-N 3.48Å; A525-P564 CarbonylContact C-O 3.59Å; A525-P564 WeakPolarHBondContact CA-O 3.3Å; A525-P564 HydrophobicContact CB-CB 3.83Å; A525-P564 VanDerWaalsContact CB-O 3.25Å; A525-P564 WeakPolarHBondContact CB-O 3.46Å; A525-V566 HydrophobicContact CB-CG2 3.88Å
526I98.6Very high97.2Very high1 Ų139.5 Ų39.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-61.2119.9171.1-62.2172.7000108.7D528 E563 P564 R565 V566 D625 V626 Y756I526-D528 PolarHBondContact O-N 3.18Å; I526-E563 HydrophobicContact CD1-CB 3.9Å; I526-E563 HydrophobicContact CG1-CB 4.41Å; I526-P564 PolarHBondContact N-O 3.25Å; I526-R565 HydrophobicContact CB-CG 4.03Å; I526-R565 HydrophobicContact CG2-CG 4.27Å; I526-R565 WeakPolarHBondContact O-CA 3.46Å; I526-V566 PolarHBondContact O-N 3.24Å; I526-D625 HydrophobicContact CG2-CB 4.12Å; I526-V626 HydrophobicContact CG2-CB 4.48Å; I526-V626 HydrophobicContact CG2-CG2 3.62Å; I526-Y756 HydrophobicContact CD1-CD1 3.76Å; I526-Y756 HydrophobicContact CD1-CD2 4.15Å; I526-Y756 HydrophobicContact CD1-CE1 4.39Å; I526-Y756 HydrophobicContact CD1-CG 3.63Å; I526-Y756 HydrophobicContact CG1-CD1 3.42Å; I526-Y756 VanDerWaalsContact CG1-CD1 3.42Å; I526-Y756 HydrophobicContact CG1-CD2 3.75Å; I526-Y756 HydrophobicContact CG1-CE1 3.55Å; I526-Y756 HydrophobicContact CG1-CE2 3.88Å; I526-Y756 HydrophobicContact CG1-CG 3.54Å
527F98.8Very high97.2Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans-86.8103170.5-83.421.9000109.1K506 L509 A510 V521 N522 A525 V566 I568 A623 D625 V626K506-F527 HydrophobicContact CB-CD2 4.21Å; K506-F527 HydrophobicContact CB-CE2 3.94Å; K506-F527 HydrophobicContact CB-CZ 4.35Å; K506-F527 HydrophobicContact CD-CG 4.46Å; K506-F527 HydrophobicContact CG-CD2 3.84Å; K506-F527 HydrophobicContact CG-CE2 4.11Å; K506-F527 HydrophobicContact CG-CG 4.26Å; L509-F527 HydrophobicContact CB-CE2 4.28Å; L509-F527 HydrophobicContact CD2-CD2 3.97Å; L509-F527 HydrophobicContact CD2-CE2 4Å; L509-F527 HydrophobicContact CG-CE2 4.33Å; A510-F527 HydrophobicContact CB-CZ 4.39Å; V521-F527 HydrophobicContact CG2-CZ 4.04Å; N522-F527 WeakPolarHBondContact O-CE1 3.05Å; A525-F527 PolarHBondContact O-N 3.48Å; F527-V566 HydrophobicContact CD1-CB 3.84Å; F527-V566 HydrophobicContact CD1-CG2 4.05Å; F527-V566 HydrophobicContact CE1-CB 3.95Å; F527-V566 HydrophobicContact CE1-CG1 4.4Å; F527-V566 HydrophobicContact CE1-CG2 3.77Å; F527-I568 HydrophobicContact CB-CD1 4.35Å; F527-I568 HydrophobicContact CD2-CD1 3.83Å; F527-I568 HydrophobicContact CE2-CD1 4.29Å; F527-I568 HydrophobicContact CG-CD1 4.08Å; F527-A623 HydrophobicContact CD2-CB 4.19Å; F527-D625 PolarHBondContact N-OD2 3.02Å; F527-D625 PolarHBondContact O-N 3.27Å; F527-V626 PolarHBondContact O-N 2.9Å
528D98.9Very high97.3Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-99.1117.4-176.4-170.6-57.7000110.5I526 R565 V566 F567 I568 V626 E628I526-D528 PolarHBondContact O-N 3.18Å; D528-R565 HydrophobicContact CB-CG 4.18Å; D528-R565 IonicContact OD2-CZ 2.72Å; D528-R565 IonicContact OD2-NE 2.77Å; D528-R565 PolarHBondContact OD2-NE 3.49Å; D528-R565 IonicContact OD2-NH2 2.66Å; D528-R565 PolarHBondContact OD2-NH2 2.99Å; D528-V566 PolarHBondContact N-O 3.19Å; D528-F567 HydrophobicContact CB-CD1 3.78Å; D528-F567 HydrophobicContact CB-CE1 3.99Å; D528-F567 HydrophobicContact CB-CG 4.32Å; D528-F567 CarbonylContact O-C 3.58Å; D528-F567 WeakPolarHBondContact O-CA 3.4Å; D528-I568 PolarHBondContact O-N 3.43Å; D528-V626 HydrophobicContact CB-CB 4.39Å; D528-E628 WeakPolarHBondContact OD1-CG 3.48Å; D528-E628 VanDerWaalsContact OD1-OE1 3.12Å
529V98.9Very high97.4Very high0 Ų030.3 Ų30.30%015%0.147CC..EExtended strand (participates in β ladder)trans-122.2123.7-163.1-179.30000112.4I531 I568 I620 A624 V626 E628V529-I531 HydrophobicContact CG1-CB 4.25Å; V529-I531 HydrophobicContact CG1-CD1 3.99Å; V529-I531 HydrophobicContact CG1-CG1 3.79Å; V529-I531 HydrophobicContact CG1-CG2 3.65Å; V529-I568 WeakPolarHBondContact CA-O 3.1Å; V529-I568 HydrophobicContact CG2-CB 4.25Å; V529-I568 HydrophobicContact CG2-CD1 4.4Å; V529-I620 HydrophobicContact CB-CG2 4.4Å; V529-I620 HydrophobicContact CG1-CG2 3.42Å; V529-I620 VanDerWaalsContact CG1-CG2 3.42Å; V529-I620 HydrophobicContact CG2-CG2 4.03Å; V529-A624 HydrophobicContact CB-CB 3.96Å; V529-A624 HydrophobicContact CG2-CB 3.5Å; V529-A624 VanDerWaalsContact CG2-CB 3.5Å; V529-V626 PolarHBondContact N-O 3.42Å; V529-E628 WeakPolarHBondContact O-CB 3.36Å; V529-E628 PolarHBondContact O-N 2.7Å
530Q98.9Very high97.5Very high1 Ų129.1 Ų29.11%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-12292.5168.8-161.2173.710.900111.6K538 Q540 N543 I568 F569 G570 E628Q530-K538 PolarHBondContact NE2-O 2.83Å; Q530-K538 VanDerWaalsContact NE2-O 3.15Å; Q530-Q540 HydrophobicContact CG-CG 4.36Å; Q530-N543 PolarHBondContact OE1-ND2 3.34Å; Q530-I568 PolarHBondContact N-O 2.86Å; Q530-F569 HydrophobicContact CB-CD1 4.14Å; Q530-F569 HydrophobicContact CB-CE1 4.21Å; Q530-G570 PolarHBondContact O-N 2.98Å; Q530-E628 HydrophobicContact CB-CB 3.66Å; Q530-E628 HydrophobicContact CB-CG 4.14Å; Q530-E628 HydrophobicContact CG-CB 3.72Å
531I98.3Very high97.6Very high3 Ų322.1 Ų22.12%0.01511%0.107CC..EExtended strand (participates in β ladder)trans-115.692.9-17653.2175.5000113V529 G570 Y612 I620 I621 L645V529-I531 HydrophobicContact CG1-CB 4.25Å; V529-I531 HydrophobicContact CG1-CD1 3.99Å; V529-I531 HydrophobicContact CG1-CG1 3.79Å; V529-I531 HydrophobicContact CG1-CG2 3.65Å; I531-G570 CarbonylContact C-O 3.53Å; I531-G570 WeakPolarHBondContact CA-O 3.44Å; I531-Y612 HydrophobicContact CB-CD2 4.43Å; I531-Y612 HydrophobicContact CB-CE1 4.4Å; I531-Y612 HydrophobicContact CB-CE2 3.73Å; I531-Y612 HydrophobicContact CD1-CE2 4.22Å; I531-Y612 HydrophobicContact CG2-CD2 4.27Å; I531-Y612 HydrophobicContact CG2-CE2 3.88Å; I531-I620 HydrophobicContact CD1-CB 4.47Å; I531-I620 HydrophobicContact CD1-CG2 4.12Å; I531-I620 HydrophobicContact CG2-CD1 3.87Å; I531-I620 HydrophobicContact CG2-CG2 4.05Å; I531-I621 HydrophobicContact CD1-CD1 4.03Å; I531-I621 HydrophobicContact CD1-CG1 3.44Å; I531-I621 VanDerWaalsContact CD1-CG1 3.44Å; I531-L645 HydrophobicContact CG1-CD1 4.45Å
532K97Very high97.6Very high15 Ų1521.7 Ų21.77%0.06511%0.105CC..SBendtrans-162.7162.5-178.756.3-172.666.3-1760109.8K538 G570 A571 E628K532-K538 HydrophobicContact CB-CD 4.3Å; K532-K538 HydrophobicContact CD-CB 3.9Å; K532-K538 HydrophobicContact CD-CD 3.89Å; K532-K538 HydrophobicContact CD-CG 4.05Å; K532-K538 HydrophobicContact CG-CB 4.45Å; K532-K538 HydrophobicContact CG-CD 4.02Å; K532-G570 PolarHBondContact N-O 2.74Å; K532-G570 VanDerWaalsContact N-O 3.1Å; K532-A571 WeakPolarHBondContact O-CA 3.39Å; K532-A571 WeakPolarHBondContact O-CB 3.47Å; K532-E628 PolarHBondContact NZ-O 3.25Å
533R95.3Very high97.7Very high103 Ų10317.9 Ų17.939%0.3898%0.084SC..  trans-46.2143.2172.7-66.4-174.5-64.6146.6-0.5110.6H535 K538 Q540R533-H535 PolarHBondContact O-N 3.25Å; R533-K538 WeakPolarHBondContact O-CD 3.43Å; R533-Q540 PolarHBondContact O-NE2 2.95Å
534L97Very high97.7Very high7 Ų716.4 Ų16.44%0.0378%0.075CC..  trans-83.6116.7178.8-149.9118.1000109.7Q540 A571 K572 A573 A580 V583 I584 F608L534-Q540 HydrophobicContact CD1-CB 4.46Å; L534-Q540 HydrophobicContact CD1-CG 4.16Å; L534-A571 HydrophobicContact CB-CB 3.94Å; L534-A571 HydrophobicContact CD1-CB 3.63Å; L534-A571 HydrophobicContact CG-CB 4.35Å; L534-K572 PolarHBondContact N-O 2.88Å; L534-A573 HydrophobicContact CB-CB 4.21Å; L534-A573 HydrophobicContact CD2-CB 4.43Å; L534-A580 VanDerWaalsContact CD2-C 3.4Å; L534-A580 HydrophobicContact CD2-CB 3.56Å; L534-A580 WeakPolarHBondContact CD2-O 3.25Å; L534-V583 HydrophobicContact CD2-CB 4.1Å; L534-V583 HydrophobicContact CD2-CG1 4.32Å; L534-I584 HydrophobicContact CB-CD1 4.44Å; L534-I584 HydrophobicContact CD1-CD1 4.03Å; L534-I584 HydrophobicContact CD1-CG1 3.45Å; L534-I584 VanDerWaalsContact CD1-CG1 3.45Å; L534-I584 HydrophobicContact CD2-CD1 4.17Å; L534-I584 HydrophobicContact CD2-CG1 3.74Å; L534-I584 HydrophobicContact CG-CD1 4.43Å; L534-I584 HydrophobicContact CG-CG1 4.11Å; L534-F608 HydrophobicContact CD1-CE2 4.29Å; L534-F608 HydrophobicContact CD1-CZ 4.12Å
535H95.1Very high97.8Very high43 Ų4310.8 Ų10.820%0.1995%0.048CC..  trans-154.2143.4-178.4-162.3-53.8000109.4R533 Y537 K538 Q540 Y577R533-H535 PolarHBondContact O-N 3.25Å; H535-Y537 HydrophobicContact CB-CD1 4.16Å; H535-Y537 HydrophobicContact CB-CE1 4.11Å; H535-Y537 AromaticContact CD2-CD1 3.91Å; H535-Y537 AromaticContact CD2-CE1 3.7Å; H535-Y537 AromaticContact CE1-CD1 3.46Å; H535-Y537 VanDerWaalsContact CE1-CD1 3.46Å; H535-Y537 WeakPolarHBondContact CE1-CD1 3.47Å; H535-Y537 AromaticContact CE1-CE1 3.99Å; H535-Y537 AromaticContact CG-CD1 3.51Å; H535-Y537 AromaticContact CG-CE1 3.6Å; H535-Y537 AromaticContact ND1-CD1 3.21Å; H535-Y537 WeakPolarHBondContact ND1-CD1 3.46Å; H535-Y537 AromaticContact ND1-CE1 3.81Å; H535-Y537 PolarHBondContact ND1-N 3.4Å; H535-Y537 AromaticContact NE2-CD1 3.88Å; H535-Y537 AromaticContact NE2-CE1 3.94Å; H535-Y537 PolarHBondContact O-N 3.34Å; H535-K538 HydrophobicContact CB-CD 4.22Å; H535-K538 HydrophobicContact CB-CG 4.34Å; H535-K538 WeakPolarHBondContact O-CB 3.1Å; H535-K538 PolarHBondContact O-N 3.2Å; H535-Q540 PolarHBondContact O-OE1 2.86Å; H535-Y577 AromaticContact CD2-CE1 3.75Å; H535-Y577 AromaticContact CE1-CE1 3.89Å; H535-Y577 PolarHBondContact CE1-OH 3.5Å; H535-Y577 AromaticContact CG-CE1 3.86Å; H535-Y577 AromaticContact ND1-CE1 3.93Å; H535-Y577 PolarHBondContact ND1-OH 3.49Å; H535-Y577 AromaticContact NE2-CE1 3.78Å
536A95.6Very high97.8Very high15 Ų1510.9 Ų10.912%0.1245%0.049CC..G310 helixtrans-50.1-49-179.900000113.6K538 R539 Y579 F736A536-K538 PolarHBondContact O-N 3.23Å; A536-R539 WeakPolarHBondContact O-CA 3.44Å; A536-R539 WeakPolarHBondContact O-CG 3.3Å; A536-R539 PolarHBondContact O-N 2.95Å; A536-Y579 HydrophobicContact CB-CD1 4.15Å; A536-Y579 HydrophobicContact CB-CE1 3.79Å; A536-F736 HydrophobicContact CB-CD2 3.45Å; A536-F736 VanDerWaalsContact CB-CD2 3.45Å; A536-F736 HydrophobicContact CB-CE2 3.26Å; A536-F736 HydrophobicContact CB-CG 4.4Å; A536-F736 HydrophobicContact CB-CZ 4.08Å
537Y95.1Very high97.8Very high13 Ų1310.9 Ų10.95%0.0515%0.048CC..G310 helixtrans-63.7-19.9177.984.9-103.4000115.6H535 R539 S631 L632 K635H535-Y537 HydrophobicContact CB-CD1 4.16Å; H535-Y537 HydrophobicContact CB-CE1 4.11Å; H535-Y537 AromaticContact CD2-CD1 3.91Å; H535-Y537 AromaticContact CD2-CE1 3.7Å; H535-Y537 AromaticContact CE1-CD1 3.46Å; H535-Y537 VanDerWaalsContact CE1-CD1 3.46Å; H535-Y537 WeakPolarHBondContact CE1-CD1 3.47Å; H535-Y537 AromaticContact CE1-CE1 3.99Å; H535-Y537 AromaticContact CG-CD1 3.51Å; H535-Y537 AromaticContact CG-CE1 3.6Å; H535-Y537 AromaticContact ND1-CD1 3.21Å; H535-Y537 WeakPolarHBondContact ND1-CD1 3.46Å; H535-Y537 AromaticContact ND1-CE1 3.81Å; H535-Y537 PolarHBondContact ND1-N 3.4Å; H535-Y537 AromaticContact NE2-CD1 3.88Å; H535-Y537 AromaticContact NE2-CE1 3.94Å; H535-Y537 PolarHBondContact O-N 3.34Å; Y537-R539 VanDerWaalsContact C-N 3.28Å; Y537-S631 CarbonylContact O-C 3.53Å; Y537-S631 WeakPolarHBondContact O-CA 3.41Å; Y537-L632 PolarHBondContact O-N 3.08Å; Y537-K635 HydrophobicContact CD2-CB 3.68Å; Y537-K635 HydrophobicContact CE2-CB 4.41Å; Y537-K635 HydrophobicContact CG-CB 4.05Å
538K97Very high97.8Very high10 Ų1011 Ų114%0.0435%0.049CC..G310 helixtrans-84-7.7176.5-70.9177.7-179.3-61.30112.6Q530 K532 R533 H535 A536 Q540 E636Q530-K538 PolarHBondContact NE2-O 2.83Å; Q530-K538 VanDerWaalsContact NE2-O 3.15Å; K532-K538 HydrophobicContact CB-CD 4.3Å; K532-K538 HydrophobicContact CD-CB 3.9Å; K532-K538 HydrophobicContact CD-CD 3.89Å; K532-K538 HydrophobicContact CD-CG 4.05Å; K532-K538 HydrophobicContact CG-CB 4.45Å; K532-K538 HydrophobicContact CG-CD 4.02Å; R533-K538 WeakPolarHBondContact O-CD 3.43Å; H535-K538 HydrophobicContact CB-CD 4.22Å; H535-K538 HydrophobicContact CB-CG 4.34Å; H535-K538 WeakPolarHBondContact O-CB 3.1Å; H535-K538 PolarHBondContact O-N 3.2Å; A536-K538 PolarHBondContact O-N 3.23Å; K538-Q540 PolarHBondContact O-N 2.85Å; K538-E636 IonicContact NZ-OE1 3.09Å; K538-E636 PolarHBondContact NZ-OE1 3.03Å; K538-E636 IonicContact NZ-OE2 2.64Å; K538-E636 PolarHBondContact NZ-OE2 2.9Å
539R98.5Very high97.8Very high1 Ų112.5 Ų12.50%0.0046%0.056CC..THydrogen-bonded Turntrans53.442.4166.8-54.3-166.4-62.6-179.62.4115A536 Y537 L541 L542 N543 I630 S631 F736 V738 D741A536-R539 WeakPolarHBondContact O-CA 3.44Å; A536-R539 WeakPolarHBondContact O-CG 3.3Å; A536-R539 PolarHBondContact O-N 2.95Å; Y537-R539 VanDerWaalsContact C-N 3.28Å; R539-L541 PolarHBondContact O-N 2.91Å; R539-L542 HydrophobicContact CB-CB 3.75Å; R539-L542 HydrophobicContact CB-CD2 4.48Å; R539-L542 WeakPolarHBondContact O-CB 3.2Å; R539-L542 PolarHBondContact O-N 3.3Å; R539-N543 PolarHBondContact O-N 3.23Å; R539-I630 HydrophobicContact CB-CG1 4.44Å; R539-I630 VanDerWaalsContact CZ-O 3.28Å; R539-I630 PolarHBondContact NE-O 3.4Å; R539-I630 PolarHBondContact NH2-O 2.88Å; R539-I630 WeakPolarHBondContact O-CD1 3.31Å; R539-S631 PolarHBondContact NH2-O 2.81Å; R539-F736 WeakPolarHBondContact CD-O 3.18Å; R539-V738 HydrophobicContact CG-CG2 4.36Å; R539-D741 IonicContact CZ-OD2 2.62Å; R539-D741 VanDerWaalsContact CZ-OD2 3.31Å; R539-D741 IonicContact NH1-OD2 2.72Å; R539-D741 PolarHBondContact NH1-OD2 2.83Å; R539-D741 IonicContact NH2-OD2 3.81Å; R539-D741 PolarHBondContact NH2-OD2 3.5Å
540Q98.7Very high97.8Very high2 Ų213.4 Ų13.41%0.0096%0.061CC..Hα-helixtrans-54.5-29.6162.9-72.683.6-12.600111.6Q530 R533 L534 H535 K538 N543 L544 F569 V583 I587Q530-Q540 HydrophobicContact CG-CG 4.36Å; R533-Q540 PolarHBondContact O-NE2 2.95Å; L534-Q540 HydrophobicContact CD1-CB 4.46Å; L534-Q540 HydrophobicContact CD1-CG 4.16Å; H535-Q540 PolarHBondContact O-OE1 2.86Å; K538-Q540 PolarHBondContact O-N 2.85Å; Q540-N543 PolarHBondContact O-N 2.82Å; Q540-L544 PolarHBondContact O-N 2.71Å; Q540-F569 HydrophobicContact CB-CE1 4.34Å; Q540-F569 HydrophobicContact CG-CD1 4.32Å; Q540-F569 HydrophobicContact CG-CE1 4.38Å; Q540-V583 HydrophobicContact CB-CG1 4.44Å; Q540-I587 HydrophobicContact CB-CD1 4.28Å
541L98.8Very high97.8Very high8 Ų814.2 Ų14.24%0.0426%0.064CC..Hα-helixtrans-62.4-43.3172-179.459.6000112.6R539 N543 L544 L545 Y579 V583 I725 L729 V738R539-L541 PolarHBondContact O-N 2.91Å; L541-N543 VanDerWaalsContact C-N 3.28Å; L541-N543 PolarHBondContact O-N 2.71Å; L541-L544 HydrophobicContact CD1-CD2 4.26Å; L541-L544 WeakPolarHBondContact O-CB 3.5Å; L541-L544 PolarHBondContact O-N 2.79Å; L541-L544 VanDerWaalsContact O-N 3.16Å; L541-L545 HydrophobicContact CD1-CD2 4.15Å; L541-L545 HydrophobicContact CD1-CG 4.26Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.04Å; L541-L545 PolarHBondContact O-N 2.9Å; L541-Y579 WeakPolarHBondContact CD2-OH 3.43Å; L541-V583 HydrophobicContact CB-CG1 4.46Å; L541-I725 HydrophobicContact CD1-CD1 4.47Å; L541-I725 HydrophobicContact CD1-CG2 3.71Å; L541-I725 HydrophobicContact CD2-CG2 3.66Å; L541-I725 HydrophobicContact CG-CG2 4.34Å; L541-L729 HydrophobicContact CD2-CD1 4.2Å; L541-L729 HydrophobicContact CD2-CD2 4.02Å; L541-L729 HydrophobicContact CD2-CG 4.26Å; L541-V738 HydrophobicContact CG-CG1 4.36Å
542L98.9Very high97.7Very high0 Ų015.1 Ų15.10%07%0.068CC..Hα-helixtrans-58.2-43.2175.8174.758.9000111.2R539 L545 H546 I630 F675 V738 D741 F742 Y745R539-L542 HydrophobicContact CB-CB 3.75Å; R539-L542 HydrophobicContact CB-CD2 4.48Å; R539-L542 WeakPolarHBondContact O-CB 3.2Å; R539-L542 PolarHBondContact O-N 3.3Å; L542-L545 PolarHBondContact O-N 3.48Å; L542-H546 PolarHBondContact O-N 2.97Å; L542-I630 HydrophobicContact CB-CD1 4.24Å; L542-I630 HydrophobicContact CD2-CD1 4.3Å; L542-I630 HydrophobicContact CG-CD1 4.32Å; L542-F675 HydrophobicContact CD2-CE2 4.03Å; L542-F675 HydrophobicContact CD2-CZ 4.17Å; L542-V738 HydrophobicContact CB-CG1 4.1Å; L542-V738 HydrophobicContact CD1-CG1 4.36Å; L542-D741 HydrophobicContact CD2-CB 4.44Å; L542-F742 HydrophobicContact CD1-CB 4.33Å; L542-F742 HydrophobicContact CD1-CD2 3.97Å; L542-Y745 HydrophobicContact CD1-CD1 3.71Å; L542-Y745 HydrophobicContact CD1-CE1 4.45Å; L542-Y745 HydrophobicContact CD1-CG 4.19Å; L542-Y745 HydrophobicContact CD2-CD1 4.26Å; L542-Y745 HydrophobicContact CD2-CG 4.15Å; L542-Y745 HydrophobicContact CG-CD1 3.65Å; L542-Y745 HydrophobicContact CG-CE1 4.03Å; L542-Y745 HydrophobicContact CG-CG 4.05Å
543N98.8Very high97.8Very high1 Ų116.1 Ų16.11%0.0057%0.074CC..Hα-helixtrans-61.2-49.2174.5-164.85000111.4Q530 R539 Q540 L541 L545 H546 I547 F569 I630 Y745Q530-N543 PolarHBondContact OE1-ND2 3.34Å; R539-N543 PolarHBondContact O-N 3.23Å; Q540-N543 PolarHBondContact O-N 2.82Å; L541-N543 VanDerWaalsContact C-N 3.28Å; L541-N543 PolarHBondContact O-N 2.71Å; N543-L545 VanDerWaalsContact C-N 3.35Å; N543-L545 PolarHBondContact O-N 2.83Å; N543-H546 WeakPolarHBondContact O-CB 3.49Å; N543-H546 PolarHBondContact O-N 2.84Å; N543-H546 VanDerWaalsContact O-N 3.11Å; N543-I547 WeakPolarHBondContact O-CG1 3.45Å; N543-I547 PolarHBondContact O-N 3.48Å; N543-F569 HydrophobicContact CB-CE1 4.25Å; N543-F569 HydrophobicContact CB-CZ 4.17Å; N543-F569 WeakPolarHBondContact ND2-CZ 3.2Å; N543-I630 HydrophobicContact CB-CD1 3.91Å; N543-Y745 PolarHBondContact OD1-OH 2.88Å
544L98.9Very high97.9Very high0 Ų011.2 Ų11.20%06%0.056CC..Hα-helixtrans-55.9-44.8176.917665.1000112.8Q540 L541 H546 I547 I548 V586 I587 T590Q540-L544 PolarHBondContact O-N 2.71Å; L541-L544 HydrophobicContact CD1-CD2 4.26Å; L541-L544 WeakPolarHBondContact O-CB 3.5Å; L541-L544 PolarHBondContact O-N 2.79Å; L541-L544 VanDerWaalsContact O-N 3.16Å; L544-H546 VanDerWaalsContact C-N 3.28Å; L544-H546 PolarHBondContact O-N 2.74Å; L544-I547 WeakPolarHBondContact O-CB 3.25Å; L544-I547 PolarHBondContact O-N 2.79Å; L544-I547 VanDerWaalsContact O-N 3.11Å; L544-I548 HydrophobicContact CD1-CD1 4.25Å; L544-I548 HydrophobicContact CD1-CG1 4.33Å; L544-I548 HydrophobicContact CG-CD1 3.99Å; L544-I548 WeakPolarHBondContact O-CG1 3.16Å; L544-I548 PolarHBondContact O-N 3.02Å; L544-V586 HydrophobicContact CD2-CB 4.12Å; L544-V586 HydrophobicContact CD2-CG1 3.66Å; L544-I587 HydrophobicContact CB-CG1 4.28Å; L544-I587 HydrophobicContact CD1-CG1 4.15Å; L544-I587 HydrophobicContact CD2-CG1 3.91Å; L544-I587 HydrophobicContact CG-CG1 4.33Å; L544-T590 HydrophobicContact CD1-CG2 3.94Å
545L98.9Very high97.9Very high1 Ų115.1 Ų15.11%0.0057%0.073CC..Hα-helixtrans-60.9-38.6178.4-64.4-172.6000111.4L541 L542 N543 I547 I548 K549 V706 V707 L710 L729 V738 L739 F742L541-L545 HydrophobicContact CD1-CD2 4.15Å; L541-L545 HydrophobicContact CD1-CG 4.26Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.04Å; L541-L545 PolarHBondContact O-N 2.9Å; L542-L545 PolarHBondContact O-N 3.48Å; N543-L545 VanDerWaalsContact C-N 3.35Å; N543-L545 PolarHBondContact O-N 2.83Å; L545-I547 VanDerWaalsContact C-N 3.35Å; L545-I548 HydrophobicContact CD2-CD1 4.41Å; L545-I548 PolarHBondContact O-N 2.91Å; L545-K549 WeakPolarHBondContact O-CB 3.4Å; L545-K549 PolarHBondContact O-N 2.98Å; L545-V706 HydrophobicContact CB-CG1 3.85Å; L545-V706 HydrophobicContact CD2-CG1 4.03Å; L545-V706 HydrophobicContact CG-CG1 4.42Å; L545-V706 VanDerWaalsContact O-CG1 3.26Å; L545-V706 WeakPolarHBondContact O-CG1 3.2Å; L545-V707 HydrophobicContact CD1-CG2 4.42Å; L545-L710 HydrophobicContact CD2-CD1 4.21Å; L545-L729 HydrophobicContact CD1-CD1 4.37Å; L545-V738 HydrophobicContact CD1-CG1 3.71Å; L545-L739 HydrophobicContact CD1-CD2 3.87Å; L545-F742 HydrophobicContact CB-CD2 4.03Å; L545-F742 HydrophobicContact CB-CE2 3.62Å
546H98.8Very high98Very high5 Ų519.7 Ų19.72%0.0239%0.094CC..Hα-helixtrans-66.3-39175.3171.5-113.2000111.5L542 N543 L544 K549 L550 F742 Y745 Q749L542-H546 PolarHBondContact O-N 2.97Å; N543-H546 WeakPolarHBondContact O-CB 3.49Å; N543-H546 PolarHBondContact O-N 2.84Å; N543-H546 VanDerWaalsContact O-N 3.11Å; L544-H546 VanDerWaalsContact C-N 3.28Å; L544-H546 PolarHBondContact O-N 2.74Å; H546-K549 WeakPolarHBondContact O-CB 3.33Å; H546-K549 PolarHBondContact O-N 3.12Å; H546-L550 VanDerWaalsContact CE1-CD1 3.47Å; H546-L550 WeakPolarHBondContact CE1-CD1 3.45Å; H546-L550 WeakPolarHBondContact O-CG 3.15Å; H546-L550 PolarHBondContact O-N 3.5Å; H546-F742 HydrophobicContact CB-CE2 4.4Å; H546-Y745 HydrophobicContact CB-CD1 3.86Å; H546-Y745 HydrophobicContact CB-CE1 3.42Å; H546-Y745 VanDerWaalsContact CB-CE1 3.42Å; H546-Y745 AromaticContact CG-CE1 3.88Å; H546-Q749 VanDerWaalsContact CE1-CB 3.48Å; H546-Q749 WeakPolarHBondContact CE1-CB 3.35Å; H546-Q749 VanDerWaalsContact CE1-CG 3.42Å; H546-Q749 WeakPolarHBondContact CE1-CG 3.45Å; H546-Q749 WeakPolarHBondContact NE2-CB 3.34Å
547I98.8Very high98.1Very high0 Ų022.6 Ų22.60%011%0.107CC..Hα-helixtrans-64-43.1175.9-60.1165.4000110.9N543 L544 L545 K549 L550 Y551 F567 F569 I594 L604 I606N543-I547 WeakPolarHBondContact O-CG1 3.45Å; N543-I547 PolarHBondContact O-N 3.48Å; L544-I547 WeakPolarHBondContact O-CB 3.25Å; L544-I547 PolarHBondContact O-N 2.79Å; L544-I547 VanDerWaalsContact O-N 3.11Å; L545-I547 VanDerWaalsContact C-N 3.35Å; I547-K549 VanDerWaalsContact C-N 3.31Å; I547-K549 PolarHBondContact O-N 3.41Å; I547-L550 PolarHBondContact O-N 3.07Å; I547-Y551 WeakPolarHBondContact O-CB 3.41Å; I547-Y551 PolarHBondContact O-N 3.36Å; I547-F567 HydrophobicContact CD1-CB 3.68Å; I547-F567 HydrophobicContact CD1-CD1 3.61Å; I547-F567 HydrophobicContact CD1-CD2 3.99Å; I547-F567 HydrophobicContact CD1-CE1 4.19Å; I547-F567 HydrophobicContact CD1-CG 3.47Å; I547-F567 VanDerWaalsContact CD1-CG 3.47Å; I547-F567 HydrophobicContact CG1-CB 4.4Å; I547-F567 HydrophobicContact CG1-CD1 3.73Å; I547-F567 HydrophobicContact CG1-CD2 3.74Å; I547-F567 HydrophobicContact CG1-CE1 3.81Å; I547-F567 HydrophobicContact CG1-CE2 3.83Å; I547-F567 HydrophobicContact CG1-CG 3.68Å; I547-F567 HydrophobicContact CG1-CZ 3.84Å; I547-F567 HydrophobicContact CG2-CD2 4.37Å; I547-F569 HydrophobicContact CD1-CE2 3.74Å; I547-F569 HydrophobicContact CD1-CZ 3.78Å; I547-I594 HydrophobicContact CG2-CD1 4Å; I547-L604 HydrophobicContact CG2-CD1 4.41Å; I547-L604 HydrophobicContact CG2-CD2 4.06Å; I547-L604 HydrophobicContact CG2-CG 4.49Å; I547-I606 HydrophobicContact CB-CD1 4.47Å; I547-I606 HydrophobicContact CD1-CD1 4.38Å; I547-I606 HydrophobicContact CG2-CD1 3.47Å; I547-I606 VanDerWaalsContact CG2-CD1 3.47Å; I547-I606 HydrophobicContact CG2-CG1 3.84Å
548I98.7Very high98Very high3 Ų323.9 Ų23.92%0.01512%0.117CC..Hα-helixtrans-59.2-43.8174-68.1166.8000110.1L544 L545 Y551 L552 T590 V706 A709 L710 I715L544-I548 HydrophobicContact CD1-CD1 4.25Å; L544-I548 HydrophobicContact CD1-CG1 4.33Å; L544-I548 HydrophobicContact CG-CD1 3.99Å; L544-I548 WeakPolarHBondContact O-CG1 3.16Å; L544-I548 PolarHBondContact O-N 3.02Å; L545-I548 HydrophobicContact CD2-CD1 4.41Å; L545-I548 PolarHBondContact O-N 2.91Å; I548-Y551 PolarHBondContact O-N 3.35Å; I548-L552 HydrophobicContact CG2-CD1 3.77Å; I548-L552 HydrophobicContact CG2-CG 4.23Å; I548-L552 WeakPolarHBondContact O-CB 3.37Å; I548-L552 VanDerWaalsContact O-CG 3.23Å; I548-L552 WeakPolarHBondContact O-CG 3.49Å; I548-L552 PolarHBondContact O-N 3.46Å; I548-T590 HydrophobicContact CG1-CG2 4.1Å; I548-V706 HydrophobicContact CB-CG1 4.19Å; I548-V706 HydrophobicContact CG2-CG1 4.02Å; I548-A709 HydrophobicContact CG2-CB 4.01Å; I548-L710 HydrophobicContact CD1-CD2 4.05Å; I548-I715 HydrophobicContact CD1-CD1 3.7Å; I548-I715 HydrophobicContact CG1-CD1 4.15Å
549K98.5Very high97.9Very high32 Ų3229.7 Ų29.714%0.13915%0.145CC..Hα-helixtrans-57.3-51.2175-174.7-87.2-173.9-165.40111.9L545 H546 I547 Y551 L552 D553 V702 V706 F742L545-K549 WeakPolarHBondContact O-CB 3.4Å; L545-K549 PolarHBondContact O-N 2.98Å; H546-K549 WeakPolarHBondContact O-CB 3.33Å; H546-K549 PolarHBondContact O-N 3.12Å; I547-K549 VanDerWaalsContact C-N 3.31Å; I547-K549 PolarHBondContact O-N 3.41Å; K549-Y551 VanDerWaalsContact C-N 3.31Å; K549-Y551 PolarHBondContact O-N 3.28Å; K549-L552 PolarHBondContact O-N 3.03Å; K549-D553 WeakPolarHBondContact CD-OD2 3.31Å; K549-D553 WeakPolarHBondContact CE-OD2 3.49Å; K549-D553 IonicContact NZ-OD2 2.6Å; K549-D553 PolarHBondContact NZ-OD2 3.34Å; K549-D553 VanDerWaalsContact O-CG 3.3Å; K549-D553 PolarHBondContact O-N 3.29Å; K549-V702 HydrophobicContact CG-CG1 3.85Å; K549-V706 HydrophobicContact CB-CG2 3.62Å; K549-V706 HydrophobicContact CG-CG2 4.06Å; K549-F742 HydrophobicContact CB-CZ 4.01Å; K549-F742 HydrophobicContact CG-CZ 4.24Å
550L98.2Very high97.7Very high19 Ų1931.9 Ų31.910%0.09916%0.156CC..Hα-helixtrans-59.3-42.7177.9-71179000111.8H546 I547 D553 L554 F567 L604H546-L550 VanDerWaalsContact CE1-CD1 3.47Å; H546-L550 WeakPolarHBondContact CE1-CD1 3.45Å; H546-L550 WeakPolarHBondContact O-CG 3.15Å; H546-L550 PolarHBondContact O-N 3.5Å; I547-L550 PolarHBondContact O-N 3.07Å; L550-D553 PolarHBondContact O-N 3.48Å; L550-L554 WeakPolarHBondContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.17Å; L550-L554 PolarHBondContact O-N 2.9Å; L550-F567 HydrophobicContact CD1-CE2 4.05Å; L550-F567 HydrophobicContact CD1-CZ 4.01Å; L550-L604 HydrophobicContact CB-CD2 4.2Å; L550-L604 HydrophobicContact CD1-CD1 4.47Å
551Y98.4Very high97.4Very high18 Ų1836.4 Ų36.47%0.07119%0.186CC..Hα-helixtrans-60.5-50.1176.5175-118.3000111.5I547 I548 K549 D553 L554 K555 L593 I594 D597 I600I547-Y551 WeakPolarHBondContact O-CB 3.41Å; I547-Y551 PolarHBondContact O-N 3.36Å; I548-Y551 PolarHBondContact O-N 3.35Å; K549-Y551 VanDerWaalsContact C-N 3.31Å; K549-Y551 PolarHBondContact O-N 3.28Å; Y551-D553 VanDerWaalsContact C-N 3.31Å; Y551-D553 PolarHBondContact O-N 2.91Å; Y551-L554 PolarHBondContact O-N 2.96Å; Y551-K555 HydrophobicContact CD2-CG 4.24Å; Y551-K555 HydrophobicContact CE1-CG 4.16Å; Y551-K555 HydrophobicContact CE2-CD 3.75Å; Y551-K555 HydrophobicContact CE2-CG 3.87Å; Y551-K555 WeakPolarHBondContact O-CG 3.49Å; Y551-K555 PolarHBondContact O-N 3.09Å; Y551-L593 HydrophobicContact CE1-CD2 3.77Å; Y551-L593 HydrophobicContact CE1-CG 4.26Å; Y551-I594 HydrophobicContact CD1-CD1 4.43Å; Y551-I594 HydrophobicContact CD1-CG1 4.21Å; Y551-I594 HydrophobicContact CD2-CD1 4.17Å; Y551-I594 HydrophobicContact CD2-CG1 3.61Å; Y551-I594 HydrophobicContact CE2-CG1 3.98Å; Y551-I594 HydrophobicContact CG-CD1 3.87Å; Y551-I594 HydrophobicContact CG-CG1 3.72Å; Y551-D597 HydrophobicContact CE2-CB 4.18Å; Y551-D597 WeakPolarHBondContact CE2-OD2 3.48Å; Y551-D597 PolarHBondContact OH-OD2 2.88Å; Y551-I600 HydrophobicContact CD2-CD1 4.3Å; Y551-I600 HydrophobicContact CD2-CG2 4.18Å; Y551-I600 HydrophobicContact CE2-CG2 4.07Å
552L98Very high97.1Very high21 Ų2137.6 Ų37.611%0.1119%0.192CC..Hα-helixtrans-62.7-35.9-179.8-68.5173.8000112.8I548 K549 K555 E556 K705 V706 A709 T714I548-L552 HydrophobicContact CG2-CD1 3.77Å; I548-L552 HydrophobicContact CG2-CG 4.23Å; I548-L552 WeakPolarHBondContact O-CB 3.37Å; I548-L552 VanDerWaalsContact O-CG 3.23Å; I548-L552 WeakPolarHBondContact O-CG 3.49Å; I548-L552 PolarHBondContact O-N 3.46Å; K549-L552 PolarHBondContact O-N 3.03Å; L552-K555 PolarHBondContact O-N 3.34Å; L552-E556 PolarHBondContact O-N 2.91Å; L552-K705 HydrophobicContact CD1-CD 4.39Å; L552-K705 HydrophobicContact CD1-CG 4.1Å; L552-V706 HydrophobicContact CD1-CG2 4.41Å; L552-A709 HydrophobicContact CD1-CB 4.45Å; L552-T714 HydrophobicContact CD2-CG2 4.33Å
553D97.5Very high97Very high36 Ų3639.9 Ų39.919%0.19320%0.202CC..Hα-helixtrans-68.5-40.4174.7-69.6-4.1000111.9K549 L550 Y551 K555 E556 N557 L560K549-D553 WeakPolarHBondContact CD-OD2 3.31Å; K549-D553 WeakPolarHBondContact CE-OD2 3.49Å; K549-D553 IonicContact NZ-OD2 2.6Å; K549-D553 PolarHBondContact NZ-OD2 3.34Å; K549-D553 VanDerWaalsContact O-CG 3.3Å; K549-D553 PolarHBondContact O-N 3.29Å; L550-D553 PolarHBondContact O-N 3.48Å; Y551-D553 VanDerWaalsContact C-N 3.31Å; Y551-D553 PolarHBondContact O-N 2.91Å; D553-K555 VanDerWaalsContact C-N 3.29Å; D553-K555 PolarHBondContact O-N 3.27Å; D553-E556 PolarHBondContact O-N 3Å; D553-N557 PolarHBondContact O-N 3.26Å; D553-L560 HydrophobicContact CB-CD2 4.11Å
554L97.7Very high96.9Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-65.9-31.9174.3-74.7168.2000112.2L550 Y551 E556 N557 P558 L560 I562 I600 K603 L604L550-L554 WeakPolarHBondContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.17Å; L550-L554 PolarHBondContact O-N 2.9Å; Y551-L554 PolarHBondContact O-N 2.96Å; L554-E556 VanDerWaalsContact C-N 3.32Å; L554-N557 CarbonylContact O-C 3.16Å; L554-P558 WeakPolarHBondContact O-CA 3.43Å; L554-P558 VanDerWaalsContact O-CD 3.27Å; L554-P558 WeakPolarHBondContact O-CD 3.33Å; L554-P558 WeakPolarHBondContact O-CG 3.45Å; L554-L560 HydrophobicContact CD2-CB 4.19Å; L554-I562 HydrophobicContact CD1-CD1 3.81Å; L554-I562 HydrophobicContact CD2-CD1 3.81Å; L554-I562 HydrophobicContact CD2-CG1 4.23Å; L554-I562 HydrophobicContact CG-CD1 3.98Å; L554-I600 HydrophobicContact CB-CB 4.16Å; L554-I600 HydrophobicContact CB-CG2 3.75Å; L554-I600 HydrophobicContact CD1-CB 4.28Å; L554-K603 HydrophobicContact CD1-CB 4.13Å; L554-K603 HydrophobicContact CD2-CB 4.27Å; L554-K603 HydrophobicContact CD2-CD 3.65Å; L554-L604 HydrophobicContact CD1-CB 4.05Å; L554-L604 HydrophobicContact CD1-CD2 4.42Å
555K97.5Very high96.9Very high90 Ų9042.5 Ų42.539%0.39122%0.218SC..Hα-helixtrans-66.9-35.2173.3-68.3-62.3-68.5-167.80112.3Y551 L552 D553 D597 S599 I600Y551-K555 HydrophobicContact CD2-CG 4.24Å; Y551-K555 HydrophobicContact CE1-CG 4.16Å; Y551-K555 HydrophobicContact CE2-CD 3.75Å; Y551-K555 HydrophobicContact CE2-CG 3.87Å; Y551-K555 WeakPolarHBondContact O-CG 3.49Å; Y551-K555 PolarHBondContact O-N 3.09Å; L552-K555 PolarHBondContact O-N 3.34Å; D553-K555 VanDerWaalsContact C-N 3.29Å; D553-K555 PolarHBondContact O-N 3.27Å; K555-D597 WeakPolarHBondContact CD-OD2 3.34Å; K555-D597 IonicContact NZ-OD1 3.54Å; K555-D597 IonicContact NZ-OD2 2.78Å; K555-D597 PolarHBondContact NZ-OD2 3.15Å; K555-S599 PolarHBondContact NZ-OG 3Å; K555-I600 HydrophobicContact CD-CG2 3.91Å; K555-I600 HydrophobicContact CG-CG2 4.49Å
556E96.7Very high96.9Very high139 Ų13942.6 Ų42.665%0.6522%0.218SC*.Hα-helixtrans-77.6-36.7176-72.7177.4171.100112.2L552 D553 L554 K705L552-E556 PolarHBondContact O-N 2.91Å; D553-E556 PolarHBondContact O-N 3Å; L554-E556 VanDerWaalsContact C-N 3.32Å; E556-K705 WeakPolarHBondContact OE1-CE 3.43Å; E556-K705 IonicContact OE1-NZ 2.6Å; E556-K705 PolarHBondContact OE1-NZ 3.24Å; E556-K705 IonicContact OE2-NZ 3.11Å; E556-K705 PolarHBondContact OE2-NZ 2.94Å; E556-K705 VanDerWaalsContact OE2-NZ 3.11Å
557N97Very high96.9Very high75 Ų7542.3 Ų42.340%0.40122%0.217SC..  trans-139.288.7177.5-177.811.2000111.2D553 L554 E559 L560D553-N557 PolarHBondContact O-N 3.26Å; L554-N557 CarbonylContact O-C 3.16Å; N557-E559 PolarHBondContact O-N 3.14Å; N557-E559 PolarHBondContact OD1-N 2.72Å; N557-L560 WeakPolarHBondContact O-CB 3.43Å; N557-L560 PolarHBondContact O-N 3.42Å
558P94.3Very high96.9Very high41 Ų4142.4 Ų42.427%0.26622%0.217SC..THydrogen-bonded Turntrans-57.5-22.4177.6-29.837.2000114.3L554 L560 S599 K603L554-P558 WeakPolarHBondContact O-CA 3.43Å; L554-P558 VanDerWaalsContact O-CD 3.27Å; L554-P558 WeakPolarHBondContact O-CD 3.33Å; L554-P558 WeakPolarHBondContact O-CG 3.45Å; P558-L560 VanDerWaalsContact C-N 3.34Å; P558-S599 WeakPolarHBondContact CB-O 3.46Å; P558-K603 PolarHBondContact O-NZ 3.37Å
559E94.1Very high96.9Very high132 Ų13242.2 Ų42.262%0.61722%0.217SC*.THydrogen-bonded Turntrans-90.28.5179.6-61.1-52.4135.600113.7N557 N601N557-E559 PolarHBondContact O-N 3.14Å; N557-E559 PolarHBondContact OD1-N 2.72Å; E559-N601 PolarHBondContact OE1-ND2 3.3Å
560L94.4Very high96.9Very high46 Ų4640.7 Ų40.724%0.24121%0.21CC..  trans-53.5127.9177.2-164.872000110.5D553 L554 N557 P558 I562 K603D553-L560 HydrophobicContact CB-CD2 4.11Å; L554-L560 HydrophobicContact CD2-CB 4.19Å; N557-L560 WeakPolarHBondContact O-CB 3.43Å; N557-L560 PolarHBondContact O-N 3.42Å; P558-L560 VanDerWaalsContact C-N 3.34Å; L560-I562 HydrophobicContact CD2-CG2 3.72Å; L560-I562 HydrophobicContact CG-CG2 3.96Å; L560-I562 PolarHBondContact O-N 3.25Å; L560-K603 PolarHBondContact O-NZ 3.13Å
561P92.4Very high96.9Very high98 Ų9839.9 Ų39.964%0.63621%0.206SC*.  trans-82.857-171.735-37.8000112K757P561-K757 PolarHBondContact O-NZ 2.76Å
562I93.7Very high96.8Very high32 Ų3240.3 Ų40.316%0.16421%0.208CC..PPolyproline II helixtrans-89.6146.4171.665.8171000110.1L554 L560 K603L554-I562 HydrophobicContact CD1-CD1 3.81Å; L554-I562 HydrophobicContact CD2-CD1 3.81Å; L554-I562 HydrophobicContact CD2-CG1 4.23Å; L554-I562 HydrophobicContact CG-CD1 3.98Å; L560-I562 HydrophobicContact CD2-CG2 3.72Å; L560-I562 HydrophobicContact CG-CG2 3.96Å; L560-I562 PolarHBondContact O-N 3.25Å; I562-K603 HydrophobicContact CD1-CB 4.4Å; I562-K603 HydrophobicContact CG1-CD 4.29Å
563E95.7Very high96.7Very high48 Ų4839.4 Ų39.422%0.22420%0.203CC..PPolyproline II helixtrans-65.8136.2168.6-67.4-69.4125.100109.4I526 R565 D753 Y756 K757 K759I526-E563 HydrophobicContact CD1-CB 3.9Å; I526-E563 HydrophobicContact CG1-CB 4.41Å; E563-R565 PolarHBondContact O-N 3.08Å; E563-D753 WeakPolarHBondContact CB-OD1 3.45Å; E563-D753 PolarHBondContact N-OD1 3.36Å; E563-Y756 HydrophobicContact CB-CD1 4.31Å; E563-Y756 HydrophobicContact CG-CD1 4.04Å; E563-K757 HydrophobicContact CG-CG 3.92Å; E563-K757 WeakPolarHBondContact OE1-CG 3.38Å; E563-K759 IonicContact OE2-NZ 3.04Å
564P97.4Very high96.5Very high43 Ų4339.6 Ų39.628%0.27921%0.21SC..PPolyproline II helixtrans-55.4140.8175.1-26.435.2000111.5A525 I526 K603A525-P564 CarbonylContact C-O 3.59Å; A525-P564 WeakPolarHBondContact CA-O 3.3Å; A525-P564 HydrophobicContact CB-CB 3.83Å; A525-P564 VanDerWaalsContact CB-O 3.25Å; A525-P564 WeakPolarHBondContact CB-O 3.46Å; I526-P564 PolarHBondContact N-O 3.25Å; P564-K603 CarbonylContact C-O 3.54Å; P564-K603 VanDerWaalsContact CA-O 3.31Å; P564-K603 WeakPolarHBondContact CA-O 2.98Å
565R98.4Very high96.1Very high14 Ų1441.8 Ų41.85%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-138.9139.1-173.1-160.2161.2-164.6175.712.9113.1I526 D528 E563 F567 K603 L604 K605I526-R565 HydrophobicContact CB-CG 4.03Å; I526-R565 HydrophobicContact CG2-CG 4.27Å; I526-R565 WeakPolarHBondContact O-CA 3.46Å; D528-R565 HydrophobicContact CB-CG 4.18Å; D528-R565 IonicContact OD2-CZ 2.72Å; D528-R565 IonicContact OD2-NE 2.77Å; D528-R565 PolarHBondContact OD2-NE 3.49Å; D528-R565 IonicContact OD2-NH2 2.66Å; D528-R565 PolarHBondContact OD2-NH2 2.99Å; E563-R565 PolarHBondContact O-N 3.08Å; R565-F567 HydrophobicContact CB-CE2 4.12Å; R565-F567 VanDerWaalsContact CD-CZ 3.46Å; R565-F567 HydrophobicContact CG-CD2 4.1Å; R565-F567 HydrophobicContact CG-CE2 3.65Å; R565-F567 HydrophobicContact CG-CZ 3.98Å; R565-K603 PolarHBondContact N-O 3.03Å; R565-L604 HydrophobicContact CB-CD1 4.47Å; R565-L604 WeakPolarHBondContact O-CA 3.34Å; R565-K605 PolarHBondContact O-N 3.3Å
566V98.8Very high95.7Very high2 Ų239.9 Ų39.91%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-119.2108.6175.7-176.40000107.6V521 A525 I526 F527 D528 I568 K605 V607V521-V566 HydrophobicContact CB-CG1 4.12Å; V521-V566 HydrophobicContact CB-CG2 3.98Å; V521-V566 HydrophobicContact CG1-CG1 3.8Å; V521-V566 HydrophobicContact CG1-CG2 4.3Å; A525-V566 HydrophobicContact CB-CG2 3.88Å; I526-V566 PolarHBondContact O-N 3.24Å; F527-V566 HydrophobicContact CD1-CB 3.84Å; F527-V566 HydrophobicContact CD1-CG2 4.05Å; F527-V566 HydrophobicContact CE1-CB 3.95Å; F527-V566 HydrophobicContact CE1-CG1 4.4Å; F527-V566 HydrophobicContact CE1-CG2 3.77Å; D528-V566 PolarHBondContact N-O 3.19Å; V566-I568 HydrophobicContact CG1-CD1 4.24Å; V566-I568 HydrophobicContact CG1-CG1 3.89Å; V566-K605 WeakPolarHBondContact CA-O 3.25Å; V566-K605 HydrophobicContact CG1-CB 4.36Å; V566-K605 HydrophobicContact CG2-CB 4.32Å; V566-V607 HydrophobicContact CG1-CG2 4.28Å
567F98.9Very high95.5Very high0 Ų036.3 Ų36.30%020%0.203CC..EExtended strand (participates in β ladder)trans-85.4122.2175.5-71.7-88.9000110D528 I547 L550 R565 F569 L604 K605 I606 V607D528-F567 HydrophobicContact CB-CD1 3.78Å; D528-F567 HydrophobicContact CB-CE1 3.99Å; D528-F567 HydrophobicContact CB-CG 4.32Å; D528-F567 CarbonylContact O-C 3.58Å; D528-F567 WeakPolarHBondContact O-CA 3.4Å; I547-F567 HydrophobicContact CD1-CB 3.68Å; I547-F567 HydrophobicContact CD1-CD1 3.61Å; I547-F567 HydrophobicContact CD1-CD2 3.99Å; I547-F567 HydrophobicContact CD1-CE1 4.19Å; I547-F567 HydrophobicContact CD1-CG 3.47Å; I547-F567 VanDerWaalsContact CD1-CG 3.47Å; I547-F567 HydrophobicContact CG1-CB 4.4Å; I547-F567 HydrophobicContact CG1-CD1 3.73Å; I547-F567 HydrophobicContact CG1-CD2 3.74Å; I547-F567 HydrophobicContact CG1-CE1 3.81Å; I547-F567 HydrophobicContact CG1-CE2 3.83Å; I547-F567 HydrophobicContact CG1-CG 3.68Å; I547-F567 HydrophobicContact CG1-CZ 3.84Å; I547-F567 HydrophobicContact CG2-CD2 4.37Å; L550-F567 HydrophobicContact CD1-CE2 4.05Å; L550-F567 HydrophobicContact CD1-CZ 4.01Å; R565-F567 HydrophobicContact CB-CE2 4.12Å; R565-F567 VanDerWaalsContact CD-CZ 3.46Å; R565-F567 HydrophobicContact CG-CD2 4.1Å; R565-F567 HydrophobicContact CG-CE2 3.65Å; R565-F567 HydrophobicContact CG-CZ 3.98Å; F567-F569 HydrophobicContact CB-CE2 4.17Å; F567-L604 HydrophobicContact CD2-CD1 3.59Å; F567-L604 HydrophobicContact CE2-CD1 3.41Å; F567-L604 VanDerWaalsContact CE2-CD1 3.41Å; F567-K605 PolarHBondContact N-O 2.82Å; F567-I606 CarbonylContact O-C 3.57Å; F567-I606 WeakPolarHBondContact O-CA 3.29Å; F567-V607 PolarHBondContact O-N 2.98Å
568I98.9Very high95.3Very high1 Ų139.1 Ų39.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-119.3112.8-173-53.2176.8000109.3L509 I513 F527 D528 V529 Q530 V566 V607 L609 I620L509-I568 HydrophobicContact CD2-CD1 3.71Å; I513-I568 HydrophobicContact CD1-CD1 4.19Å; F527-I568 HydrophobicContact CB-CD1 4.35Å; F527-I568 HydrophobicContact CD2-CD1 3.83Å; F527-I568 HydrophobicContact CE2-CD1 4.29Å; F527-I568 HydrophobicContact CG-CD1 4.08Å; D528-I568 PolarHBondContact O-N 3.43Å; V529-I568 WeakPolarHBondContact CA-O 3.1Å; V529-I568 HydrophobicContact CG2-CB 4.25Å; V529-I568 HydrophobicContact CG2-CD1 4.4Å; Q530-I568 PolarHBondContact N-O 2.86Å; V566-I568 HydrophobicContact CG1-CD1 4.24Å; V566-I568 HydrophobicContact CG1-CG1 3.89Å; I568-V607 CarbonylContact C-O 3.13Å; I568-V607 WeakPolarHBondContact CA-O 3.5Å; I568-L609 HydrophobicContact CG2-CD1 3.82Å; I568-L609 HydrophobicContact CG2-CG 4.36Å; I568-I620 HydrophobicContact CG2-CG2 4.41Å
569F98.9Very high95.4Very high0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-100.7143.6174.8-65.5-91000110.7Q530 Q540 N543 I547 F567 I587 I606 V607 F608 L609Q530-F569 HydrophobicContact CB-CD1 4.14Å; Q530-F569 HydrophobicContact CB-CE1 4.21Å; Q540-F569 HydrophobicContact CB-CE1 4.34Å; Q540-F569 HydrophobicContact CG-CD1 4.32Å; Q540-F569 HydrophobicContact CG-CE1 4.38Å; N543-F569 HydrophobicContact CB-CE1 4.25Å; N543-F569 HydrophobicContact CB-CZ 4.17Å; N543-F569 WeakPolarHBondContact ND2-CZ 3.2Å; I547-F569 HydrophobicContact CD1-CE2 3.74Å; I547-F569 HydrophobicContact CD1-CZ 3.78Å; F567-F569 HydrophobicContact CB-CE2 4.17Å; F569-I587 HydrophobicContact CD1-CD1 4.2Å; F569-I587 HydrophobicContact CD2-CG2 3.9Å; F569-I587 HydrophobicContact CE1-CD1 4.19Å; F569-I587 HydrophobicContact CE2-CG2 4.09Å; F569-I587 HydrophobicContact CG-CG2 4.32Å; F569-I606 HydrophobicContact CD2-CG2 4.02Å; F569-I606 HydrophobicContact CE2-CG2 3.99Å; F569-V607 PolarHBondContact N-O 3.1Å; F569-F608 HydrophobicContact CB-CB 4.37Å; F569-F608 HydrophobicContact CB-CD1 4.11Å; F569-F608 HydrophobicContact CB-CD2 3.88Å; F569-F608 HydrophobicContact CB-CE1 4.39Å; F569-F608 HydrophobicContact CB-CE2 4.15Å; F569-F608 HydrophobicContact CB-CG 3.85Å; F569-F608 HydrophobicContact CB-CZ 4.42Å; F569-L609 PolarHBondContact O-N 3.35Å
570G98.3Very high95.5Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-147.7104.9168.300000109.1Q530 I531 K532Q530-G570 PolarHBondContact O-N 2.98Å; I531-G570 CarbonylContact C-O 3.53Å; I531-G570 WeakPolarHBondContact CA-O 3.44Å; K532-G570 PolarHBondContact N-O 2.74Å; K532-G570 VanDerWaalsContact N-O 3.1Å
571A98Very high95.7Very high1 Ų132.1 Ų32.11%0.00818%0.175CC..  trans-156145.5-17100000111.6Q147 K532 L534 F608Q147-A571 PolarHBondContact NE2-O 3.44Å; Q147-A571 PolarHBondContact OE1-O 2.94Å; K532-A571 WeakPolarHBondContact O-CA 3.39Å; K532-A571 WeakPolarHBondContact O-CB 3.47Å; L534-A571 HydrophobicContact CB-CB 3.94Å; L534-A571 HydrophobicContact CD1-CB 3.63Å; L534-A571 HydrophobicContact CG-CB 4.35Å; A571-F608 HydrophobicContact CB-CE1 4.32Å; A571-F608 HydrophobicContact CB-CZ 3.93Å; A571-F608 WeakPolarHBondContact O-CE1 3.37Å
572K97.1Very high96Very high28 Ų2828 Ų2812%0.12215%0.148CC..  trans-113.7134.3169.1-66.9-175-179.5-172.30109F145 Q147 L534 N611 Y612F145-K572 HydrophobicContact CE2-CB 4.22Å; F145-K572 HydrophobicContact CE2-CD 3.94Å; F145-K572 HydrophobicContact CE2-CG 4.15Å; F145-K572 HydrophobicContact CZ-CB 3.86Å; F145-K572 HydrophobicContact CZ-CD 4.16Å; F145-K572 HydrophobicContact CZ-CG 4.28Å; F145-K572 PolarHBondContact O-NZ 2.63Å; Q147-K572 HydrophobicContact CB-CG 4.39Å; L534-K572 PolarHBondContact N-O 2.88Å; K572-N611 WeakPolarHBondContact CE-OD1 3.37Å; K572-N611 PolarHBondContact NZ-OD1 3.03Å; K572-Y612 WeakPolarHBondContact CE-O 3.31Å
573A95.7Very high96.2Very high1 Ų126.8 Ų26.81%0.00814%0.142CC..  trans-91.3142.8168.100000109.8F145 Q154 L534 A580 K581 I584F145-A573 WeakPolarHBondContact CE1-O 3.37Å; F145-A573 WeakPolarHBondContact CZ-O 3.48Å; Q154-A573 PolarHBondContact NE2-O 3.22Å; L534-A573 HydrophobicContact CB-CB 4.21Å; L534-A573 HydrophobicContact CD2-CB 4.43Å; A573-A580 HydrophobicContact CB-CB 3.71Å; A573-K581 HydrophobicContact CB-CG 3.91Å; A573-I584 HydrophobicContact CB-CD1 3.76Å
574A92.2Very high96.4Very high41 Ų4124.5 Ų24.534%0.33913%0.132SC..  trans-60.4148.7174.100000110.7S576 Y577A574-S576 VanDerWaalsContact C-N 3.27Å; A574-S576 PolarHBondContact O-N 3.48Å; A574-Y577 PolarHBondContact O-N 3.03Å
575P90Very high96.4Very high46 Ų4622.8 Ų22.830%0.29912%0.12SC..THydrogen-bonded Turntrans-57.7-37.3-172.2-2635.3000114F145 E156 K581F145-P575 HydrophobicContact CD1-CG 3.9Å; F145-P575 HydrophobicContact CE1-CG 3.94Å; E156-P575 HydrophobicContact CG-CB 4.39Å; E156-P575 HydrophobicContact CG-CG 4.3Å; P575-K581 WeakPolarHBondContact O-CE 3.49Å; P575-K581 PolarHBondContact O-NZ 3.47Å
576S88.6Confident96.4Very high49 Ų4922.1 Ų22.134%0.34312%0.117SC..THydrogen-bonded Turntrans-85.5-5.8179.254.70000114.3A574 H578A574-S576 VanDerWaalsContact C-N 3.27Å; A574-S576 PolarHBondContact O-N 3.48Å; S576-H578 PolarHBondContact O-CD2 3.44Å; S576-H578 PolarHBondContact O-N 3.48Å; S576-H578 VanDerWaalsContact O-N 3.09Å
577Y92Very high96.4Very high65 Ų6522 Ų2226%0.25512%0.117SC..  trans-89.278.7-174.1-159.8165000111.7H535 A574 Y579 A580 K581H535-Y577 AromaticContact CD2-CE1 3.75Å; H535-Y577 AromaticContact CE1-CE1 3.89Å; H535-Y577 PolarHBondContact CE1-OH 3.5Å; H535-Y577 AromaticContact CG-CE1 3.86Å; H535-Y577 AromaticContact ND1-CE1 3.93Å; H535-Y577 PolarHBondContact ND1-OH 3.49Å; H535-Y577 AromaticContact NE2-CE1 3.78Å; A574-Y577 PolarHBondContact O-N 3.03Å; Y577-Y579 HydrophobicContact CE2-CD1 4.31Å; Y577-Y579 PolarHBondContact O-N 2.97Å; Y577-A580 HydrophobicContact CD1-CB 3.81Å; Y577-A580 HydrophobicContact CD2-CB 3.8Å; Y577-A580 HydrophobicContact CE1-CB 4.26Å; Y577-A580 HydrophobicContact CE2-CB 4.23Å; Y577-A580 HydrophobicContact CG-CB 3.57Å; Y577-A580 WeakPolarHBondContact O-CB 3.17Å; Y577-A580 PolarHBondContact O-N 2.86Å; Y577-K581 PolarHBondContact O-N 3.49Å; Y577-K581 VanDerWaalsContact O-N 3.12Å
578H93.7Very high96.4Very high133 Ų13322.5 Ų22.562%0.61612%0.119SC*.Hα-helixtrans-53.9-52-177.1-66.6-71.8000113.7S576 A580 K581 S582S576-H578 PolarHBondContact O-CD2 3.44Å; S576-H578 PolarHBondContact O-N 3.48Å; S576-H578 VanDerWaalsContact O-N 3.09Å; H578-A580 VanDerWaalsContact C-N 3.28Å; H578-A580 PolarHBondContact O-N 2.94Å; H578-K581 WeakPolarHBondContact O-CA 3.34Å; H578-K581 WeakPolarHBondContact O-CB 3.22Å; H578-K581 PolarHBondContact O-N 3.46Å; H578-S582 PolarHBondContact O-N 3.07Å; H578-S582 PolarHBondContact O-OG 3.02Å
579Y96.5Very high96.4Very high36 Ų3622.8 Ų22.814%0.14112%0.121CC..Hα-helixtrans-55.8-41.2179.2178-105.7000113.2A536 L541 Y577 S582 V583 E724 I725 S728A536-Y579 HydrophobicContact CB-CD1 4.15Å; A536-Y579 HydrophobicContact CB-CE1 3.79Å; L541-Y579 WeakPolarHBondContact CD2-OH 3.43Å; Y577-Y579 HydrophobicContact CE2-CD1 4.31Å; Y577-Y579 PolarHBondContact O-N 2.97Å; Y579-S582 WeakPolarHBondContact O-CB 3.35Å; Y579-S582 PolarHBondContact O-N 2.85Å; Y579-V583 HydrophobicContact CE1-CG2 4.28Å; Y579-V583 PolarHBondContact O-N 3.5Å; Y579-E724 WeakPolarHBondContact CA-OE1 3.36Å; Y579-E724 HydrophobicContact CD2-CG 4.28Å; Y579-I725 HydrophobicContact CE2-CG1 4.07Å; Y579-S728 PolarHBondContact OH-OG 3.14Å
580A97.3Very high96.4Very high2 Ų222.9 Ų22.92%0.01712%0.121CC..Hα-helixtrans-62.6-45.117500000111.1L534 A573 Y577 H578 S582 V583 I584L534-A580 VanDerWaalsContact CD2-C 3.4Å; L534-A580 HydrophobicContact CD2-CB 3.56Å; L534-A580 WeakPolarHBondContact CD2-O 3.25Å; A573-A580 HydrophobicContact CB-CB 3.71Å; Y577-A580 HydrophobicContact CD1-CB 3.81Å; Y577-A580 HydrophobicContact CD2-CB 3.8Å; Y577-A580 HydrophobicContact CE1-CB 4.26Å; Y577-A580 HydrophobicContact CE2-CB 4.23Å; Y577-A580 HydrophobicContact CG-CB 3.57Å; Y577-A580 WeakPolarHBondContact O-CB 3.17Å; Y577-A580 PolarHBondContact O-N 2.86Å; H578-A580 VanDerWaalsContact C-N 3.28Å; H578-A580 PolarHBondContact O-N 2.94Å; A580-S582 VanDerWaalsContact C-N 3.28Å; A580-S582 PolarHBondContact O-N 3.39Å; A580-V583 PolarHBondContact O-N 2.97Å; A580-V583 VanDerWaalsContact O-N 3.16Å; A580-I584 PolarHBondContact O-N 2.72Å; A580-I584 VanDerWaalsContact O-N 3.07Å
581K97.8Very high96.4Very high34 Ų3423.2 Ų23.215%0.14812%0.124CC..Hα-helixtrans-60.7-36.5175.4-67.9179.2168.3-1710112.5Q154 E156 A573 P575 Y577 H578 I584 K585Q154-K581 HydrophobicContact CB-CG 4.48Å; E156-K581 WeakPolarHBondContact OE1-CE 3.37Å; E156-K581 IonicContact OE1-NZ 3.01Å; E156-K581 PolarHBondContact OE1-NZ 2.62Å; E156-K581 IonicContact OE2-NZ 3.31Å; E156-K581 PolarHBondContact OE2-NZ 3.3Å; A573-K581 HydrophobicContact CB-CG 3.91Å; P575-K581 WeakPolarHBondContact O-CE 3.49Å; P575-K581 PolarHBondContact O-NZ 3.47Å; Y577-K581 PolarHBondContact O-N 3.49Å; Y577-K581 VanDerWaalsContact O-N 3.12Å; H578-K581 WeakPolarHBondContact O-CA 3.34Å; H578-K581 WeakPolarHBondContact O-CB 3.22Å; H578-K581 PolarHBondContact O-N 3.46Å; K581-I584 WeakPolarHBondContact O-CB 3.28Å; K581-I584 PolarHBondContact O-N 3.08Å; K581-K585 PolarHBondContact O-N 3.06Å
582S98.4Very high96.4Very high12 Ų1225.2 Ų25.28%0.08414%0.138CC..Hα-helixtrans-62.6-43.3174.2-59.90000111.7H578 Y579 A580 I584 K585 V586 E724H578-S582 PolarHBondContact O-N 3.07Å; H578-S582 PolarHBondContact O-OG 3.02Å; Y579-S582 WeakPolarHBondContact O-CB 3.35Å; Y579-S582 PolarHBondContact O-N 2.85Å; A580-S582 VanDerWaalsContact C-N 3.28Å; A580-S582 PolarHBondContact O-N 3.39Å; S582-I584 VanDerWaalsContact C-N 3.33Å; S582-I584 PolarHBondContact O-N 2.87Å; S582-K585 WeakPolarHBondContact O-CB 3.42Å; S582-K585 PolarHBondContact O-N 3.46Å; S582-V586 WeakPolarHBondContact O-CG2 3.34Å; S582-V586 PolarHBondContact O-N 3.39Å; S582-E724 WeakPolarHBondContact CB-OE2 3.07Å; S582-E724 PolarHBondContact OG-OE2 2.79Å
583V98.6Very high96.4Very high6 Ų625.9 Ų25.94%0.03614%0.143CC..Hα-helixtrans-60-40.6173.2174.70000111.8L534 Q540 L541 Y579 A580 V586 I587 I725L534-V583 HydrophobicContact CD2-CB 4.1Å; L534-V583 HydrophobicContact CD2-CG1 4.32Å; Q540-V583 HydrophobicContact CB-CG1 4.44Å; L541-V583 HydrophobicContact CB-CG1 4.46Å; Y579-V583 HydrophobicContact CE1-CG2 4.28Å; Y579-V583 PolarHBondContact O-N 3.5Å; A580-V583 PolarHBondContact O-N 2.97Å; A580-V583 VanDerWaalsContact O-N 3.16Å; V583-V586 PolarHBondContact O-N 2.94Å; V583-I587 HydrophobicContact CG1-CD1 3.98Å; V583-I587 HydrophobicContact CG1-CG1 4.47Å; V583-I587 VanDerWaalsContact O-CG1 3.28Å; V583-I587 WeakPolarHBondContact O-CG1 3.2Å; V583-I587 PolarHBondContact O-N 3.47Å; V583-I725 HydrophobicContact CB-CD1 4.48Å; V583-I725 HydrophobicContact CG2-CD1 3.85Å; V583-I725 HydrophobicContact CG2-CG1 4.2Å
584I98.7Very high96.5Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-58.4-49.2174-71.9174.4000111F149 Q154 L534 A573 A580 K581 S582 V586 I587 N588 F608F149-I584 HydrophobicContact CD1-CG2 4.23Å; F149-I584 HydrophobicContact CE1-CG2 3.53Å; F149-I584 HydrophobicContact CZ-CG2 4.19Å; Q154-I584 HydrophobicContact CB-CD1 4.23Å; Q154-I584 HydrophobicContact CB-CG2 4.45Å; Q154-I584 VanDerWaalsContact OE1-CD1 3.22Å; L534-I584 HydrophobicContact CB-CD1 4.44Å; L534-I584 HydrophobicContact CD1-CD1 4.03Å; L534-I584 HydrophobicContact CD1-CG1 3.45Å; L534-I584 VanDerWaalsContact CD1-CG1 3.45Å; L534-I584 HydrophobicContact CD2-CD1 4.17Å; L534-I584 HydrophobicContact CD2-CG1 3.74Å; L534-I584 HydrophobicContact CG-CD1 4.43Å; L534-I584 HydrophobicContact CG-CG1 4.11Å; A573-I584 HydrophobicContact CB-CD1 3.76Å; A580-I584 PolarHBondContact O-N 2.72Å; A580-I584 VanDerWaalsContact O-N 3.07Å; K581-I584 WeakPolarHBondContact O-CB 3.28Å; K581-I584 PolarHBondContact O-N 3.08Å; S582-I584 VanDerWaalsContact C-N 3.33Å; S582-I584 PolarHBondContact O-N 2.87Å; I584-V586 VanDerWaalsContact C-N 3.33Å; I584-V586 PolarHBondContact O-N 3Å; I584-I587 PolarHBondContact O-N 3.04Å; I584-N588 PolarHBondContact O-N 3.26Å; I584-F608 HydrophobicContact CB-CE2 4.33Å; I584-F608 HydrophobicContact CD1-CZ 4.35Å; I584-F608 HydrophobicContact CG1-CE2 3.94Å; I584-F608 HydrophobicContact CG1-CZ 3.96Å; I584-F608 HydrophobicContact CG2-CE2 4.12Å; I584-F608 HydrophobicContact CG2-CZ 4.41Å
585K98.6Very high96.8Very high8 Ų825.1 Ų25.14%0.03513%0.133CC..Hα-helixtrans-57.6-46.5179.8172.861.7173.2-178.80111.2D151 N152 Y153 K581 S582 I587 N588 E589 N717 E721D151-K585 PolarHBondContact O-NZ 3.38Å; N152-K585 HydrophobicContact CB-CD 3.84Å; Y153-K585 HydrophobicContact CD1-CB 3.99Å; Y153-K585 HydrophobicContact CD1-CD 4.01Å; Y153-K585 HydrophobicContact CD1-CG 4.02Å; Y153-K585 HydrophobicContact CD2-CD 4.02Å; Y153-K585 HydrophobicContact CE1-CB 3.98Å; Y153-K585 HydrophobicContact CE1-CD 3.82Å; Y153-K585 HydrophobicContact CE1-CG 3.61Å; Y153-K585 HydrophobicContact CE2-CD 3.84Å; Y153-K585 HydrophobicContact CE2-CG 4.49Å; Y153-K585 HydrophobicContact CG-CD 4.1Å; Y153-K585 VanDerWaalsContact CZ-CE 3.48Å; K581-K585 PolarHBondContact O-N 3.06Å; S582-K585 WeakPolarHBondContact O-CB 3.42Å; S582-K585 PolarHBondContact O-N 3.46Å; K585-I587 PolarHBondContact O-N 2.9Å; K585-N588 PolarHBondContact O-N 3.25Å; K585-E589 HydrophobicContact CD-CG 3.98Å; K585-E589 WeakPolarHBondContact CE-OE1 3.42Å; K585-E589 IonicContact NZ-OE1 3.35Å; K585-E589 PolarHBondContact NZ-OE1 3.32Å; K585-E589 WeakPolarHBondContact O-CG 3.36Å; K585-E589 PolarHBondContact O-N 3.46Å; K585-N717 VanDerWaalsContact CE-O 3.23Å; K585-N717 WeakPolarHBondContact CE-O 3.17Å; K585-E721 HydrophobicContact CB-CG 4.05Å; K585-E721 HydrophobicContact CG-CB 4.41Å; K585-E721 HydrophobicContact CG-CG 3.8Å
586V98.7Very high97.1Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-65-39.2178.6-175.60000111.9L544 S582 V583 I584 N588 T590 L710 I718 E721 I725L544-V586 HydrophobicContact CD2-CB 4.12Å; L544-V586 HydrophobicContact CD2-CG1 3.66Å; S582-V586 WeakPolarHBondContact O-CG2 3.34Å; S582-V586 PolarHBondContact O-N 3.39Å; V583-V586 PolarHBondContact O-N 2.94Å; I584-V586 VanDerWaalsContact C-N 3.33Å; I584-V586 PolarHBondContact O-N 3Å; V586-N588 PolarHBondContact O-N 2.89Å; V586-T590 VanDerWaalsContact O-CB 3.26Å; V586-T590 WeakPolarHBondContact O-CB 3.35Å; V586-T590 PolarHBondContact O-N 2.87Å; V586-T590 PolarHBondContact O-OG1 2.58Å; V586-L710 HydrophobicContact CG1-CD2 3.93Å; V586-I718 HydrophobicContact CB-CG2 4.42Å; V586-I718 HydrophobicContact CG1-CD1 3.92Å; V586-I718 HydrophobicContact CG2-CB 4.12Å; V586-I718 HydrophobicContact CG2-CD1 4.24Å; V586-I718 HydrophobicContact CG2-CG2 3.97Å; V586-E721 HydrophobicContact CG2-CB 3.87Å; V586-I725 HydrophobicContact CB-CD1 4.13Å; V586-I725 HydrophobicContact CG2-CD1 3.6Å
587I98.8Very high97.5Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-59.8-47.5173.8-65.3165.4000110.7Q540 L544 F569 V583 I584 K585 T590 A591 I606 F608Q540-I587 HydrophobicContact CB-CD1 4.28Å; L544-I587 HydrophobicContact CB-CG1 4.28Å; L544-I587 HydrophobicContact CD1-CG1 4.15Å; L544-I587 HydrophobicContact CD2-CG1 3.91Å; L544-I587 HydrophobicContact CG-CG1 4.33Å; F569-I587 HydrophobicContact CD1-CD1 4.2Å; F569-I587 HydrophobicContact CD2-CG2 3.9Å; F569-I587 HydrophobicContact CE1-CD1 4.19Å; F569-I587 HydrophobicContact CE2-CG2 4.09Å; F569-I587 HydrophobicContact CG-CG2 4.32Å; V583-I587 HydrophobicContact CG1-CD1 3.98Å; V583-I587 HydrophobicContact CG1-CG1 4.47Å; V583-I587 VanDerWaalsContact O-CG1 3.28Å; V583-I587 WeakPolarHBondContact O-CG1 3.2Å; V583-I587 PolarHBondContact O-N 3.47Å; I584-I587 PolarHBondContact O-N 3.04Å; K585-I587 PolarHBondContact O-N 2.9Å; I587-T590 PolarHBondContact O-N 2.85Å; I587-A591 WeakPolarHBondContact O-CB 3.11Å; I587-A591 PolarHBondContact O-N 2.77Å; I587-I606 HydrophobicContact CG2-CG2 4.23Å; I587-F608 HydrophobicContact CB-CD2 4.09Å; I587-F608 HydrophobicContact CB-CE2 4.43Å; I587-F608 HydrophobicContact CD1-CD2 4.45Å; I587-F608 HydrophobicContact CD1-CE2 4.08Å; I587-F608 HydrophobicContact CG2-CD2 3.63Å; I587-F608 HydrophobicContact CG2-CE2 4.33Å
588N98.6Very high97.7Very high9 Ų931.8 Ų31.85%0.04817%0.166CC..Hα-helixtrans-66.3-39.4-177.7-76.4-23.3000113.2F149 N152 I584 K585 V586 A591 S592 F608F149-N588 WeakPolarHBondContact CD1-ND2 3.21Å; N152-N588 HydrophobicContact CB-CB 3.63Å; N152-N588 PolarHBondContact O-ND2 3.16Å; I584-N588 PolarHBondContact O-N 3.26Å; K585-N588 PolarHBondContact O-N 3.25Å; V586-N588 PolarHBondContact O-N 2.89Å; N588-A591 PolarHBondContact O-N 3.22Å; N588-S592 PolarHBondContact O-N 2.86Å; N588-S592 PolarHBondContact O-OG 3.06Å; N588-F608 WeakPolarHBondContact OD1-CB 3.29Å
589E98.6Very high97.8Very high8 Ų827.6 Ų27.64%0.03715%0.152CC..Hα-helixtrans-69.4-39174.7-69-63.1159.200111.8N152 K585 A591 S592 L593 I715 N717 I718N152-E589 HydrophobicContact CB-CG 4.33Å; N152-E589 WeakPolarHBondContact CB-OE1 3.48Å; N152-E589 PolarHBondContact ND2-OE1 3.43Å; K585-E589 HydrophobicContact CD-CG 3.98Å; K585-E589 WeakPolarHBondContact CE-OE1 3.42Å; K585-E589 IonicContact NZ-OE1 3.35Å; K585-E589 PolarHBondContact NZ-OE1 3.32Å; K585-E589 WeakPolarHBondContact O-CG 3.36Å; K585-E589 PolarHBondContact O-N 3.46Å; E589-A591 VanDerWaalsContact C-N 3.31Å; E589-A591 PolarHBondContact O-N 3.46Å; E589-S592 WeakPolarHBondContact O-CB 3.47Å; E589-S592 PolarHBondContact O-N 3.32Å; E589-L593 PolarHBondContact O-N 3.21Å; E589-I715 HydrophobicContact CB-CG2 3.91Å; E589-N717 HydrophobicContact CG-CB 4.21Å; E589-N717 PolarHBondContact OE2-ND2 2.94Å; E589-I718 HydrophobicContact CB-CG2 3.62Å; E589-I718 HydrophobicContact CG-CG2 3.62Å
590T98.7Very high97.8Very high1 Ų126 Ų261%0.00615%0.145CC..Hα-helixtrans-63.7-39.3173.8-54.20000111.1L544 I548 V586 I587 L593 I594 I606 I715L544-T590 HydrophobicContact CD1-CG2 3.94Å; I548-T590 HydrophobicContact CG1-CG2 4.1Å; V586-T590 VanDerWaalsContact O-CB 3.26Å; V586-T590 WeakPolarHBondContact O-CB 3.35Å; V586-T590 PolarHBondContact O-N 2.87Å; V586-T590 PolarHBondContact O-OG1 2.58Å; I587-T590 PolarHBondContact O-N 2.85Å; T590-L593 PolarHBondContact O-N 3.24Å; T590-I594 HydrophobicContact CG2-CD1 3.75Å; T590-I594 WeakPolarHBondContact O-CB 3.26Å; T590-I594 WeakPolarHBondContact O-CG1 3.38Å; T590-I594 PolarHBondContact O-N 2.81Å; T590-I606 HydrophobicContact CG2-CD1 3.87Å; T590-I715 WeakPolarHBondContact OG1-CD1 3.48Å
591A98.5Very high97.6Very high7 Ų730 Ų306%0.05817%0.166CC..Hα-helixtrans-63.6-43.2173.500000111.8I587 N588 E589 L593 I594 N595 I606I587-A591 WeakPolarHBondContact O-CB 3.11Å; I587-A591 PolarHBondContact O-N 2.77Å; N588-A591 PolarHBondContact O-N 3.22Å; E589-A591 VanDerWaalsContact C-N 3.31Å; E589-A591 PolarHBondContact O-N 3.46Å; A591-L593 VanDerWaalsContact C-N 3.32Å; A591-L593 PolarHBondContact O-N 3.11Å; A591-I594 PolarHBondContact O-N 3.31Å; A591-N595 WeakPolarHBondContact O-CB 3.41Å; A591-N595 PolarHBondContact O-N 2.89Å; A591-N595 PolarHBondContact O-ND2 3.31Å; A591-I606 HydrophobicContact CB-CB 3.65Å; A591-I606 HydrophobicContact CB-CD1 4.47Å; A591-I606 HydrophobicContact CB-CG2 3.78Å
592S97.3Very high97.3Very high44 Ų4433.3 Ų33.331%0.30819%0.186SC..Hα-helixtrans-59.9-42.5176.2-620000111.6N152 N588 E589 H596N152-S592 PolarHBondContact ND2-OG 3.47Å; N588-S592 PolarHBondContact O-N 2.86Å; N588-S592 PolarHBondContact O-OG 3.06Å; E589-S592 WeakPolarHBondContact O-CB 3.47Å; E589-S592 PolarHBondContact O-N 3.32Å; S592-H596 PolarHBondContact O-ND1 3.41Å
593L97.7Very high97.3Very high42 Ų4234.1 Ų34.122%0.2219%0.188CC..Hα-helixtrans-63.6-56.2175.5175.364000111.9Y551 E589 T590 A591 H596 D597 I715Y551-L593 HydrophobicContact CE1-CD2 3.77Å; Y551-L593 HydrophobicContact CE1-CG 4.26Å; E589-L593 PolarHBondContact O-N 3.21Å; T590-L593 PolarHBondContact O-N 3.24Å; A591-L593 VanDerWaalsContact C-N 3.32Å; A591-L593 PolarHBondContact O-N 3.11Å; L593-H596 PolarHBondContact O-N 2.65Å; L593-D597 PolarHBondContact O-N 2.97Å; L593-I715 HydrophobicContact CD2-CG1 4.34Å
594I98.1Very high97.2Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-68.1-42.4-171.7-73171.5000112I547 Y551 T590 A591 H596 D597 I600 L604 I606I547-I594 HydrophobicContact CG2-CD1 4Å; Y551-I594 HydrophobicContact CD1-CD1 4.43Å; Y551-I594 HydrophobicContact CD1-CG1 4.21Å; Y551-I594 HydrophobicContact CD2-CD1 4.17Å; Y551-I594 HydrophobicContact CD2-CG1 3.61Å; Y551-I594 HydrophobicContact CE2-CG1 3.98Å; Y551-I594 HydrophobicContact CG-CD1 3.87Å; Y551-I594 HydrophobicContact CG-CG1 3.72Å; T590-I594 HydrophobicContact CG2-CD1 3.75Å; T590-I594 WeakPolarHBondContact O-CB 3.26Å; T590-I594 WeakPolarHBondContact O-CG1 3.38Å; T590-I594 PolarHBondContact O-N 2.81Å; A591-I594 PolarHBondContact O-N 3.31Å; I594-H596 PolarHBondContact O-N 3.18Å; I594-D597 PolarHBondContact O-N 2.81Å; I594-I600 HydrophobicContact CG2-CD1 4.02Å; I594-L604 HydrophobicContact CD1-CD2 4.07Å; I594-L604 HydrophobicContact CG2-CB 4.23Å; I594-L604 HydrophobicContact CG2-CD2 4.18Å; I594-L604 HydrophobicContact CG2-CG 4.01Å; I594-L604 WeakPolarHBondContact CG2-O 3.28Å; I594-I606 HydrophobicContact CD1-CD1 3.78Å; I594-I606 HydrophobicContact CD1-CG1 4.39Å
595N97.8Very high97.2Very high25 Ų2535 Ų3513%0.13419%0.191CC..Hα-helixtrans-66.6-22.5-175-68.6-19.5000113.3A591 K605 I606A591-N595 WeakPolarHBondContact O-CB 3.41Å; A591-N595 PolarHBondContact O-N 2.89Å; A591-N595 PolarHBondContact O-ND2 3.31Å; N595-K605 HydrophobicContact CB-CD 4.3Å; N595-K605 PolarHBondContact O-NZ 2.79Å; N595-K605 WeakPolarHBondContact OD1-CA 3.32Å; N595-K605 WeakPolarHBondContact OD1-CD 3.47Å; N595-I606 PolarHBondContact ND2-O 3.24Å; N595-I606 PolarHBondContact OD1-N 2.89Å; N595-I606 PolarHBondContact OD1-O 3.08Å
596H96.3Very high97.2Very high154 Ų15434.6 Ų34.671%0.71319%0.189SC*.Hα-helixtrans-100.7-5.1177.9-63.996.4000113.6S592 L593 I594 T598S592-H596 PolarHBondContact O-ND1 3.41Å; L593-H596 PolarHBondContact O-N 2.65Å; I594-H596 PolarHBondContact O-N 3.18Å; H596-T598 PolarHBondContact O-N 2.98Å
597D97.1Very high97.2Very high22 Ų2234.8 Ų34.812%0.11819%0.19CC..  trans-81.6103.2179.3-167.6-19.1000110.9Y551 K555 L593 I594 S599 I600Y551-D597 HydrophobicContact CE2-CB 4.18Å; Y551-D597 WeakPolarHBondContact CE2-OD2 3.48Å; Y551-D597 PolarHBondContact OH-OD2 2.88Å; K555-D597 WeakPolarHBondContact CD-OD2 3.34Å; K555-D597 IonicContact NZ-OD1 3.54Å; K555-D597 IonicContact NZ-OD2 2.78Å; K555-D597 PolarHBondContact NZ-OD2 3.15Å; L593-D597 PolarHBondContact O-N 2.97Å; I594-D597 PolarHBondContact O-N 2.81Å; D597-S599 VanDerWaalsContact CG-OG 3.31Å; D597-S599 PolarHBondContact O-N 2.88Å; D597-S599 VanDerWaalsContact OD1-CB 3.28Å; D597-S599 WeakPolarHBondContact OD1-CB 3.38Å; D597-S599 PolarHBondContact OD1-N 3.07Å; D597-S599 PolarHBondContact OD1-OG 2.7Å; D597-S599 PolarHBondContact OD2-OG 2.76Å; D597-I600 VanDerWaalsContact O-CG1 3.27Å; D597-I600 WeakPolarHBondContact O-CG1 3.5Å
598T95.8Very high97.2Very high125 Ų12535.4 Ų35.477%0.76719%0.193SC*.G310 helixtrans-74.3-12.9179.156.20000113.6H596 I600H596-T598 PolarHBondContact O-N 2.98Å; T598-I600 PolarHBondContact O-N 2.81Å
599S96.6Very high97.2Very high45 Ų4535.1 Ų35.132%0.31519%0.192SC..G310 helixtrans-75.2-10.5-176.869.40000114.3K555 P558 D597K555-S599 PolarHBondContact NZ-OG 3Å; P558-S599 WeakPolarHBondContact CB-O 3.46Å; D597-S599 VanDerWaalsContact CG-OG 3.31Å; D597-S599 PolarHBondContact O-N 2.88Å; D597-S599 VanDerWaalsContact OD1-CB 3.28Å; D597-S599 WeakPolarHBondContact OD1-CB 3.38Å; D597-S599 PolarHBondContact OD1-N 3.07Å; D597-S599 PolarHBondContact OD1-OG 2.7Å; D597-S599 PolarHBondContact OD2-OG 2.76Å
600I95.7Very high97.1Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..G310 helixtrans-102.113.2-179.762.5157.6000113.4Y551 L554 K555 I594 D597 T598 D602 K603 L604Y551-I600 HydrophobicContact CD2-CD1 4.3Å; Y551-I600 HydrophobicContact CD2-CG2 4.18Å; Y551-I600 HydrophobicContact CE2-CG2 4.07Å; L554-I600 HydrophobicContact CB-CB 4.16Å; L554-I600 HydrophobicContact CB-CG2 3.75Å; L554-I600 HydrophobicContact CD1-CB 4.28Å; K555-I600 HydrophobicContact CD-CG2 3.91Å; K555-I600 HydrophobicContact CG-CG2 4.49Å; I594-I600 HydrophobicContact CG2-CD1 4.02Å; D597-I600 VanDerWaalsContact O-CG1 3.27Å; D597-I600 WeakPolarHBondContact O-CG1 3.5Å; T598-I600 PolarHBondContact O-N 2.81Å; I600-D602 VanDerWaalsContact C-N 3.31Å; I600-D602 PolarHBondContact O-N 3.2Å; I600-K603 WeakPolarHBondContact O-CB 3.22Å; I600-K603 WeakPolarHBondContact O-CG 3.45Å; I600-K603 PolarHBondContact O-N 3.36Å; I600-K603 VanDerWaalsContact O-N 3.14Å; I600-L604 HydrophobicContact CD1-CB 3.91Å
601N92.6Very high97Very high86 Ų8638.5 Ų38.546%0.4621%0.208SC..THydrogen-bonded Turntrans53.239.2172.5-61.5-32.7000114.6E559 K603E559-N601 PolarHBondContact OE1-ND2 3.3Å; N601-K603 PolarHBondContact O-N 3.01Å
602D93.1Very high97Very high104 Ų10440.2 Ų40.256%0.55621%0.213SC*.THydrogen-bonded Turntrans53.621.3-178.1-73.4-39.8000115.4I600 L604 K605I600-D602 VanDerWaalsContact C-N 3.31Å; I600-D602 PolarHBondContact O-N 3.2Å; D602-L604 PolarHBondContact O-N 3.17Å; D602-K605 WeakPolarHBondContact OD1-CE 3.38Å; D602-K605 IonicContact OD1-NZ 2.71Å; D602-K605 PolarHBondContact OD1-NZ 3.23Å
603K96.7Very high97Very high30 Ų3040 Ų4013%0.1321%0.209CC..  trans-70.7-18.7179.5-70.3-179.8173.4177.10113.6L554 P558 L560 I562 P564 R565 I600 N601L554-K603 HydrophobicContact CD1-CB 4.13Å; L554-K603 HydrophobicContact CD2-CB 4.27Å; L554-K603 HydrophobicContact CD2-CD 3.65Å; P558-K603 PolarHBondContact O-NZ 3.37Å; L560-K603 PolarHBondContact O-NZ 3.13Å; I562-K603 HydrophobicContact CD1-CB 4.4Å; I562-K603 HydrophobicContact CG1-CD 4.29Å; P564-K603 CarbonylContact C-O 3.54Å; P564-K603 VanDerWaalsContact CA-O 3.31Å; P564-K603 WeakPolarHBondContact CA-O 2.98Å; R565-K603 PolarHBondContact N-O 3.03Å; I600-K603 WeakPolarHBondContact O-CB 3.22Å; I600-K603 WeakPolarHBondContact O-CG 3.45Å; I600-K603 PolarHBondContact O-N 3.36Å; I600-K603 VanDerWaalsContact O-N 3.14Å; N601-K603 PolarHBondContact O-N 3.01Å
604L98.1Very high97Very high1 Ų138.1 Ų38.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-140.2129.3-175.3-171.764.5000110.4I547 L550 L554 R565 F567 I594 I600 D602I547-L604 HydrophobicContact CG2-CD1 4.41Å; I547-L604 HydrophobicContact CG2-CD2 4.06Å; I547-L604 HydrophobicContact CG2-CG 4.49Å; L550-L604 HydrophobicContact CB-CD2 4.2Å; L550-L604 HydrophobicContact CD1-CD1 4.47Å; L554-L604 HydrophobicContact CD1-CB 4.05Å; L554-L604 HydrophobicContact CD1-CD2 4.42Å; R565-L604 HydrophobicContact CB-CD1 4.47Å; R565-L604 WeakPolarHBondContact O-CA 3.34Å; F567-L604 HydrophobicContact CD2-CD1 3.59Å; F567-L604 HydrophobicContact CE2-CD1 3.41Å; F567-L604 VanDerWaalsContact CE2-CD1 3.41Å; I594-L604 HydrophobicContact CD1-CD2 4.07Å; I594-L604 HydrophobicContact CG2-CB 4.23Å; I594-L604 HydrophobicContact CG2-CD2 4.18Å; I594-L604 HydrophobicContact CG2-CG 4.01Å; I594-L604 WeakPolarHBondContact CG2-O 3.28Å; I600-L604 HydrophobicContact CD1-CB 3.91Å; D602-L604 PolarHBondContact O-N 3.17Å
605K98.6Very high97Very high22 Ų2238.8 Ų38.810%0.09620%0.204CC..EExtended strand (participates in β ladder)trans-132.2150.3169.7-64.5-65.4-175.4-163.20110.3V519 V521 R565 V566 F567 N595 D602V519-K605 HydrophobicContact CG1-CD 4.5Å; V521-K605 HydrophobicContact CG1-CB 4.34Å; V521-K605 HydrophobicContact CG1-CG 4.47Å; R565-K605 PolarHBondContact O-N 3.3Å; V566-K605 WeakPolarHBondContact CA-O 3.25Å; V566-K605 HydrophobicContact CG1-CB 4.36Å; V566-K605 HydrophobicContact CG2-CB 4.32Å; F567-K605 PolarHBondContact N-O 2.82Å; N595-K605 HydrophobicContact CB-CD 4.3Å; N595-K605 PolarHBondContact O-NZ 2.79Å; N595-K605 WeakPolarHBondContact OD1-CA 3.32Å; N595-K605 WeakPolarHBondContact OD1-CD 3.47Å; D602-K605 WeakPolarHBondContact OD1-CE 3.38Å; D602-K605 IonicContact OD1-NZ 2.71Å; D602-K605 PolarHBondContact OD1-NZ 3.23Å
606I98.7Very high97Very high0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-123.4133.6170.5-51.4178.3000108.8I547 F567 F569 I587 T590 A591 I594 N595I547-I606 HydrophobicContact CB-CD1 4.47Å; I547-I606 HydrophobicContact CD1-CD1 4.38Å; I547-I606 HydrophobicContact CG2-CD1 3.47Å; I547-I606 VanDerWaalsContact CG2-CD1 3.47Å; I547-I606 HydrophobicContact CG2-CG1 3.84Å; F567-I606 CarbonylContact O-C 3.57Å; F567-I606 WeakPolarHBondContact O-CA 3.29Å; F569-I606 HydrophobicContact CD2-CG2 4.02Å; F569-I606 HydrophobicContact CE2-CG2 3.99Å; I587-I606 HydrophobicContact CG2-CG2 4.23Å; T590-I606 HydrophobicContact CG2-CD1 3.87Å; A591-I606 HydrophobicContact CB-CB 3.65Å; A591-I606 HydrophobicContact CB-CD1 4.47Å; A591-I606 HydrophobicContact CB-CG2 3.78Å; I594-I606 HydrophobicContact CD1-CD1 3.78Å; I594-I606 HydrophobicContact CD1-CG1 4.39Å; N595-I606 PolarHBondContact ND2-O 3.24Å; N595-I606 PolarHBondContact OD1-N 2.89Å; N595-I606 PolarHBondContact OD1-O 3.08Å
607V98.6Very high97.1Very high4 Ų430.6 Ų30.62%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-128.7121.3173.8-176.40000108.5I513 V519 V521 V566 F567 I568 F569 L609I513-V607 HydrophobicContact CD1-CG1 4.41Å; I513-V607 HydrophobicContact CD1-CG2 4.4Å; I513-V607 HydrophobicContact CG1-CG1 4.2Å; I513-V607 HydrophobicContact CG2-CB 4.47Å; I513-V607 HydrophobicContact CG2-CG1 3.87Å; I513-V607 HydrophobicContact CG2-CG2 3.78Å; V519-V607 HydrophobicContact CG1-CG2 4.38Å; V521-V607 HydrophobicContact CG1-CG2 3.97Å; V566-V607 HydrophobicContact CG1-CG2 4.28Å; F567-V607 PolarHBondContact O-N 2.98Å; I568-V607 CarbonylContact C-O 3.13Å; I568-V607 WeakPolarHBondContact CA-O 3.5Å; F569-V607 PolarHBondContact N-O 3.1Å; V607-L609 HydrophobicContact CG1-CD2 3.77Å; V607-L609 HydrophobicContact CG1-CG 3.9Å
608F98.6Very high97.1Very high13 Ų1331.2 Ų31.26%0.05717%0.168CC..EExtended strand (participates in β ladder)trans-102.2105.4166.9-156.3-44000108.2F149 L534 F569 A571 I584 I587 N588 E610F149-F608 HydrophobicContact CE2-CB 4.2Å; F149-F608 AromaticContact CE2-CD1 3.67Å; F149-F608 HydrophobicContact CE2-CD1 3.67Å; F149-F608 HydrophobicContact CE2-CE1 4.24Å; F149-F608 AromaticContact CE2-CG 4Å; F149-F608 HydrophobicContact CE2-CG 4Å; F149-F608 AromaticContact CZ-CD1 3.47Å; F149-F608 HydrophobicContact CZ-CD1 3.47Å; F149-F608 VanDerWaalsContact CZ-CD1 3.47Å; F149-F608 HydrophobicContact CZ-CD2 4.43Å; F149-F608 AromaticContact CZ-CE1 3.59Å; F149-F608 HydrophobicContact CZ-CE1 3.59Å; F149-F608 AromaticContact CZ-CG 3.93Å; F149-F608 HydrophobicContact CZ-CG 3.93Å; F149-F608 HydrophobicContact CZ-CZ 4.13Å; L534-F608 HydrophobicContact CD1-CE2 4.29Å; L534-F608 HydrophobicContact CD1-CZ 4.12Å; F569-F608 HydrophobicContact CB-CB 4.37Å; F569-F608 HydrophobicContact CB-CD1 4.11Å; F569-F608 HydrophobicContact CB-CD2 3.88Å; F569-F608 HydrophobicContact CB-CE1 4.39Å; F569-F608 HydrophobicContact CB-CE2 4.15Å; F569-F608 HydrophobicContact CB-CG 3.85Å; F569-F608 HydrophobicContact CB-CZ 4.42Å; A571-F608 HydrophobicContact CB-CE1 4.32Å; A571-F608 HydrophobicContact CB-CZ 3.93Å; A571-F608 WeakPolarHBondContact O-CE1 3.37Å; I584-F608 HydrophobicContact CB-CE2 4.33Å; I584-F608 HydrophobicContact CD1-CZ 4.35Å; I584-F608 HydrophobicContact CG1-CE2 3.94Å; I584-F608 HydrophobicContact CG1-CZ 3.96Å; I584-F608 HydrophobicContact CG2-CE2 4.12Å; I584-F608 HydrophobicContact CG2-CZ 4.41Å; I587-F608 HydrophobicContact CB-CD2 4.09Å; I587-F608 HydrophobicContact CB-CE2 4.43Å; I587-F608 HydrophobicContact CD1-CD2 4.45Å; I587-F608 HydrophobicContact CD1-CE2 4.08Å; I587-F608 HydrophobicContact CG2-CD2 3.63Å; I587-F608 HydrophobicContact CG2-CE2 4.33Å; N588-F608 WeakPolarHBondContact OD1-CB 3.29Å; F608-E610 PolarHBondContact O-N 3.48Å
609L98.3Very high97.2Very high3 Ų329.6 Ų29.62%0.01615%0.147CC..  trans-79118.7178.5-65.3170000110.4L509 Y512 I513 I568 F569 V607 L616 I620L509-L609 HydrophobicContact CD1-CD1 4.29Å; Y512-L609 HydrophobicContact CD1-CD2 4.42Å; Y512-L609 HydrophobicContact CE1-CD2 4.22Å; I513-L609 HydrophobicContact CG1-CD2 4.14Å; I568-L609 HydrophobicContact CG2-CD1 3.82Å; I568-L609 HydrophobicContact CG2-CG 4.36Å; F569-L609 PolarHBondContact O-N 3.35Å; V607-L609 HydrophobicContact CG1-CD2 3.77Å; V607-L609 HydrophobicContact CG1-CG 3.9Å; L609-L616 HydrophobicContact CB-CD2 3.68Å; L609-L616 HydrophobicContact CD1-CD1 4.25Å; L609-L616 HydrophobicContact CD1-CD2 4.42Å; L609-I620 HydrophobicContact CD1-CD1 3.56Å; L609-I620 HydrophobicContact CD1-CG1 3.75Å
610E97Very high97.3Very high56 Ų5627.4 Ų27.426%0.26213%0.132SC..THydrogen-bonded Turntrans-66.7146.7-178.4-171.4-170.784.700112.2Q147 R148 F149 F608 Y612Q147-E610 WeakPolarHBondContact O-CG 3.07Å; R148-E610 VanDerWaalsContact CA-OE2 3.22Å; R148-E610 WeakPolarHBondContact CA-OE2 3.5Å; R148-E610 WeakPolarHBondContact CD-OE1 3.16Å; R148-E610 WeakPolarHBondContact CD-OE2 3.28Å; R148-E610 IonicContact CZ-OE1 3.8Å; R148-E610 IonicContact NE-OE1 3.2Å; R148-E610 IonicContact NH1-OE1 2.7Å; R148-E610 PolarHBondContact NH1-OE1 3.12Å; F149-E610 HydrophobicContact CD2-CB 3.98Å; F149-E610 HydrophobicContact CD2-CG 4.12Å; F149-E610 HydrophobicContact CE2-CB 3.93Å; F149-E610 HydrophobicContact CE2-CG 4.28Å; F149-E610 PolarHBondContact N-OE2 2.99Å; F608-E610 PolarHBondContact O-N 3.48Å; E610-Y612 PolarHBondContact O-N 2.89Å
611N97Very high97.5Very high24 Ų2427.4 Ų27.413%0.12813%0.132CC..THydrogen-bonded Turntrans58.346.9172.3-16344.3000114.4K146 Q147 K572 N613K146-N611 WeakPolarHBondContact CA-OD1 3.06Å; Q147-N611 HydrophobicContact CB-CB 4.07Å; Q147-N611 PolarHBondContact N-OD1 3.01Å; K572-N611 WeakPolarHBondContact CE-OD1 3.37Å; K572-N611 PolarHBondContact NZ-OD1 3.03Å; N611-N613 PolarHBondContact O-N 3.19Å; N611-N613 VanDerWaalsContact O-N 3.16Å
612Y97.8Very high97.8Very high43 Ų4323.3 Ų23.317%0.16911%0.111CC..  trans-51.3121.3177.6179.4-105.1000113.1I531 K572 E610 L616 A617 I620I531-Y612 HydrophobicContact CB-CD2 4.43Å; I531-Y612 HydrophobicContact CB-CE1 4.4Å; I531-Y612 HydrophobicContact CB-CE2 3.73Å; I531-Y612 HydrophobicContact CD1-CE2 4.22Å; I531-Y612 HydrophobicContact CG2-CD2 4.27Å; I531-Y612 HydrophobicContact CG2-CE2 3.88Å; K572-Y612 WeakPolarHBondContact CE-O 3.31Å; E610-Y612 PolarHBondContact O-N 2.89Å; Y612-L616 HydrophobicContact CD2-CB 4.49Å; Y612-L616 HydrophobicContact CD2-CD2 4.12Å; Y612-L616 HydrophobicContact CD2-CG 4.47Å; Y612-A617 HydrophobicContact CE2-CB 3.65Å; Y612-A617 WeakPolarHBondContact OH-CB 3.5Å; Y612-I620 HydrophobicContact CD2-CD1 4.19Å; Y612-I620 HydrophobicContact CE2-CD1 4.25Å
613N97.4Very high98Very high41 Ų4118.4 Ų18.422%0.2198%0.084CC..  trans-143.2-170.5-178.3696.8000110.4D107 N611 S615 L616 A617D107-N613 PolarHBondContact OD1-ND2 2.86Å; N611-N613 PolarHBondContact O-N 3.19Å; N611-N613 VanDerWaalsContact O-N 3.16Å; N613-S615 PolarHBondContact OD1-N 2.93Å; N613-L616 WeakPolarHBondContact OD1-CB 3.49Å; N613-L616 PolarHBondContact OD1-N 2.85Å; N613-A617 WeakPolarHBondContact O-CB 3.31Å; N613-A617 PolarHBondContact O-N 2.95Å
614V97.9Very high98.1Very high2 Ų217 Ų171%0.0128%0.078CC..Hα-helixtrans-68.4-45.7-177178.30000110.9L69 D107 W455 L616 A617 E618L69-V614 HydrophobicContact CD2-CG2 3.7Å; L69-V614 HydrophobicContact CG-CG2 3.62Å; D107-V614 WeakPolarHBondContact OD2-CB 3.37Å; D107-V614 PolarHBondContact OD2-N 3.5Å; W455-V614 HydrophobicContact CH2-CG1 4Å; W455-V614 HydrophobicContact CZ2-CG1 4.42Å; V614-L616 VanDerWaalsContact C-N 3.31Å; V614-L616 PolarHBondContact O-N 2.79Å; V614-A617 WeakPolarHBondContact O-CB 3.35Å; V614-A617 PolarHBondContact O-N 2.73Å; V614-A617 VanDerWaalsContact O-N 3.11Å; V614-E618 HydrophobicContact CG1-CG 4.43Å; V614-E618 WeakPolarHBondContact O-CG 3.37Å; V614-E618 PolarHBondContact O-N 2.99Å
615S97.1Very high98.2Very high14 Ų1417.1 Ų17.110%0.0988%0.079CC..Hα-helixtrans-61.7-36.9178.6-76.60000113.6K72 D107 N613 E618K72-S615 VanDerWaalsContact CD-OG 3.28Å; K72-S615 WeakPolarHBondContact CD-OG 3.42Å; K72-S615 WeakPolarHBondContact CE-OG 3.27Å; K72-S615 WeakPolarHBondContact CG-OG 3.27Å; D107-S615 WeakPolarHBondContact OD1-CB 3.24Å; D107-S615 PolarHBondContact OD1-OG 2.91Å; D107-S615 VanDerWaalsContact OD1-OG 3.07Å; D107-S615 PolarHBondContact OD2-N 3.39Å; D107-S615 VanDerWaalsContact OD2-N 3.11Å; N613-S615 PolarHBondContact OD1-N 2.93Å; S615-E618 PolarHBondContact O-N 3.49Å
616L97.3Very high98.2Very high6 Ų616.1 Ų16.13%0.0317%0.074CC..Hα-helixtrans-69.5-39.9173.7-17065.5000111.3Y512 L609 Y612 N613 V614 E618 R619 I620Y512-L616 HydrophobicContact CD1-CD1 4.31Å; Y512-L616 HydrophobicContact CE1-CD1 3.5Å; Y512-L616 VanDerWaalsContact CE1-CD1 3.5Å; L609-L616 HydrophobicContact CB-CD2 3.68Å; L609-L616 HydrophobicContact CD1-CD1 4.25Å; L609-L616 HydrophobicContact CD1-CD2 4.42Å; Y612-L616 HydrophobicContact CD2-CB 4.49Å; Y612-L616 HydrophobicContact CD2-CD2 4.12Å; Y612-L616 HydrophobicContact CD2-CG 4.47Å; N613-L616 WeakPolarHBondContact OD1-CB 3.49Å; N613-L616 PolarHBondContact OD1-N 2.85Å; V614-L616 VanDerWaalsContact C-N 3.31Å; V614-L616 PolarHBondContact O-N 2.79Å; L616-E618 VanDerWaalsContact C-N 3.31Å; L616-E618 PolarHBondContact O-N 2.78Å; L616-R619 WeakPolarHBondContact O-CB 3.37Å; L616-R619 PolarHBondContact O-N 3.28Å; L616-I620 HydrophobicContact CD1-CD1 4.42Å; L616-I620 HydrophobicContact CD2-CD1 4.04Å; L616-I620 HydrophobicContact CG-CD1 3.74Å; L616-I620 HydrophobicContact CG-CG1 4.28Å; L616-I620 WeakPolarHBondContact O-CG1 3.5Å; L616-I620 PolarHBondContact O-N 3.04Å
617A98.5Very high98.2Very high1 Ų116.1 Ų16.11%0.0087%0.074CC..Hα-helixtrans-60.2-38.9174.900000112.5W455 Y612 N613 V614 R619 I620 I621W455-A617 HydrophobicContact CH2-CB 3.9Å; W455-A617 HydrophobicContact CZ3-CB 3.8Å; Y612-A617 HydrophobicContact CE2-CB 3.65Å; Y612-A617 WeakPolarHBondContact OH-CB 3.5Å; N613-A617 WeakPolarHBondContact O-CB 3.31Å; N613-A617 PolarHBondContact O-N 2.95Å; V614-A617 WeakPolarHBondContact O-CB 3.35Å; V614-A617 PolarHBondContact O-N 2.73Å; V614-A617 VanDerWaalsContact O-N 3.11Å; A617-R619 PolarHBondContact O-N 3.09Å; A617-I620 PolarHBondContact O-N 3.34Å; A617-I621 HydrophobicContact CB-CD1 3.95Å; A617-I621 WeakPolarHBondContact O-CB 3.45Å; A617-I621 WeakPolarHBondContact O-CD1 3.35Å; A617-I621 WeakPolarHBondContact O-CG1 3.3Å; A617-I621 PolarHBondContact O-N 3.28Å
618E98.2Very high98.2Very high35 Ų3515.9 Ų15.916%0.1647%0.073CC..Hα-helixtrans-61.8-21.5174.9-72.7176.8-172.500112.9R454 W455 A459 V614 S615 L616 P622R454-E618 VanDerWaalsContact CD-OE1 3.3Å; R454-E618 WeakPolarHBondContact CD-OE1 3.27Å; R454-E618 WeakPolarHBondContact CG-OE1 3.44Å; R454-E618 IonicContact CZ-OE1 3.94Å; R454-E618 IonicContact NE-OE1 3.79Å; R454-E618 IonicContact NH1-OE1 2.75Å; R454-E618 PolarHBondContact NH1-OE1 2.64Å; W455-E618 HydrophobicContact CZ3-CG 4.07Å; A459-E618 HydrophobicContact CB-CB 4.07Å; A459-E618 HydrophobicContact CB-CG 4.12Å; V614-E618 HydrophobicContact CG1-CG 4.43Å; V614-E618 WeakPolarHBondContact O-CG 3.37Å; V614-E618 PolarHBondContact O-N 2.99Å; S615-E618 PolarHBondContact O-N 3.49Å; L616-E618 VanDerWaalsContact C-N 3.31Å; L616-E618 PolarHBondContact O-N 2.78Å; E618-P622 WeakPolarHBondContact O-CD 3.32Å; E618-P622 VanDerWaalsContact O-CG 3.24Å; E618-P622 WeakPolarHBondContact O-CG 3.13Å
619R97.7Very high98.2Very high90 Ų9015.7 Ų15.734%0.347%0.072SC..Hα-helixtrans-90-41.8173.9-62.8172.1180-82.8-1.7112.4E103 L509 L616 A617E103-R619 IonicContact OE1-CZ 3.35Å; E103-R619 IonicContact OE1-NH2 2.71Å; E103-R619 PolarHBondContact OE1-NH2 2.81Å; E103-R619 IonicContact OE2-NH2 2.72Å; L509-R619 HydrophobicContact CD1-CB 4.47Å; L616-R619 WeakPolarHBondContact O-CB 3.37Å; L616-R619 PolarHBondContact O-N 3.28Å; A617-R619 PolarHBondContact O-N 3.09Å
620I98.7Very high98.2Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-73-49.4-175.3-61.8168.5000111.7L509 V529 I531 I568 L609 Y612 L616 A617 A623 A624L509-I620 HydrophobicContact CD1-CG1 4.12Å; L509-I620 HydrophobicContact CD2-CG1 4.5Å; V529-I620 HydrophobicContact CB-CG2 4.4Å; V529-I620 HydrophobicContact CG1-CG2 3.42Å; V529-I620 VanDerWaalsContact CG1-CG2 3.42Å; V529-I620 HydrophobicContact CG2-CG2 4.03Å; I531-I620 HydrophobicContact CD1-CB 4.47Å; I531-I620 HydrophobicContact CD1-CG2 4.12Å; I531-I620 HydrophobicContact CG2-CD1 3.87Å; I531-I620 HydrophobicContact CG2-CG2 4.05Å; I568-I620 HydrophobicContact CG2-CG2 4.41Å; L609-I620 HydrophobicContact CD1-CD1 3.56Å; L609-I620 HydrophobicContact CD1-CG1 3.75Å; Y612-I620 HydrophobicContact CD2-CD1 4.19Å; Y612-I620 HydrophobicContact CE2-CD1 4.25Å; L616-I620 HydrophobicContact CD1-CD1 4.42Å; L616-I620 HydrophobicContact CD2-CD1 4.04Å; L616-I620 HydrophobicContact CG-CD1 3.74Å; L616-I620 HydrophobicContact CG-CG1 4.28Å; L616-I620 WeakPolarHBondContact O-CG1 3.5Å; L616-I620 PolarHBondContact O-N 3.04Å; A617-I620 PolarHBondContact O-N 3.34Å; I620-A623 PolarHBondContact O-N 3.15Å; I620-A624 PolarHBondContact O-N 2.85Å
621I98.8Very high98.2Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-58.2-46.4-170.9-71.7163.8000112.6W455 I531 A617 A623 A624 K644 L645 N648W455-I621 HydrophobicContact CE3-CD1 3.77Å; W455-I621 HydrophobicContact CH2-CD1 4.4Å; W455-I621 HydrophobicContact CZ3-CD1 3.57Å; I531-I621 HydrophobicContact CD1-CD1 4.03Å; I531-I621 HydrophobicContact CD1-CG1 3.44Å; I531-I621 VanDerWaalsContact CD1-CG1 3.44Å; A617-I621 HydrophobicContact CB-CD1 3.95Å; A617-I621 WeakPolarHBondContact O-CB 3.45Å; A617-I621 WeakPolarHBondContact O-CD1 3.35Å; A617-I621 WeakPolarHBondContact O-CG1 3.3Å; A617-I621 PolarHBondContact O-N 3.28Å; I621-A623 PolarHBondContact O-N 3.25Å; I621-A624 PolarHBondContact O-N 2.88Å; I621-K644 HydrophobicContact CD1-CB 3.82Å; I621-K644 HydrophobicContact CD1-CD 3.7Å; I621-K644 HydrophobicContact CD1-CG 4.36Å; I621-K644 HydrophobicContact CG1-CB 4.49Å; I621-K644 HydrophobicContact CG2-CB 3.94Å; I621-K644 WeakPolarHBondContact CG2-O 3.49Å; I621-L645 HydrophobicContact CB-CD2 4.31Å; I621-L645 HydrophobicContact CG1-CD2 4.1Å; I621-L645 HydrophobicContact CG1-CG 4.36Å; I621-L645 HydrophobicContact CG2-CD2 4.24Å; I621-L645 HydrophobicContact CG2-CG 4.49Å; I621-N648 HydrophobicContact CG2-CB 4.08Å; I621-N648 WeakPolarHBondContact CG2-ND2 3.49Å
622P98.8Very high98.2Very high1 Ų111.9 Ų11.91%0.0065%0.054CC..Hα-helixtrans-61.8-25.6178.3-26.437.6000114.3A459 N460 K502 N505 E618A459-P622 HydrophobicContact CB-CG 3.95Å; A459-P622 VanDerWaalsContact O-CG 3.27Å; A459-P622 WeakPolarHBondContact O-CG 3.47Å; N460-P622 HydrophobicContact CB-CB 3.99Å; N460-P622 HydrophobicContact CB-CG 4.03Å; K502-P622 PolarHBondContact NZ-O 3.31Å; N505-P622 HydrophobicContact CB-CB 3.96Å; N505-P622 WeakPolarHBondContact CB-O 3.46Å; N505-P622 WeakPolarHBondContact ND2-CB 3.24Å; N505-P622 PolarHBondContact ND2-O 2.9Å; N505-P622 VanDerWaalsContact ND2-O 3.15Å; E618-P622 WeakPolarHBondContact O-CD 3.32Å; E618-P622 VanDerWaalsContact O-CG 3.24Å; E618-P622 WeakPolarHBondContact O-CG 3.13Å
623A98.8Very high98Very high0 Ų09.8 Ų9.80%05%0.046CC..Hα-helixtrans-91.7-15.9-176.300000114N505 K506 L509 F527 I620 I621 D625N505-A623 HydrophobicContact CB-CB 4.16Å; K506-A623 HydrophobicContact CG-CB 4.08Å; K506-A623 WeakPolarHBondContact CG-O 3.32Å; L509-A623 HydrophobicContact CB-CB 3.87Å; L509-A623 HydrophobicContact CD2-CB 3.7Å; L509-A623 HydrophobicContact CG-CB 4.44Å; F527-A623 HydrophobicContact CD2-CB 4.19Å; I620-A623 PolarHBondContact O-N 3.15Å; I621-A623 PolarHBondContact O-N 3.25Å; A623-D625 PolarHBondContact O-N 3.45Å
624A98.9Very high97.6Very high0 Ų07.9 Ų7.90%04%0.036CC..  trans-64.2130.3-176.300000112.3K502 V529 I620 I621 L645 A650K502-A624 WeakPolarHBondContact CE-O 3.41Å; K502-A624 PolarHBondContact NZ-O 2.92Å; V529-A624 HydrophobicContact CB-CB 3.96Å; V529-A624 HydrophobicContact CG2-CB 3.5Å; V529-A624 VanDerWaalsContact CG2-CB 3.5Å; I620-A624 PolarHBondContact O-N 2.85Å; I621-A624 PolarHBondContact O-N 2.88Å; A624-L645 HydrophobicContact CB-CD2 3.36Å; A624-A650 HydrophobicContact CB-CB 4.02Å; A624-A650 WeakPolarHBondContact O-CB 3.23Å
625D98.8Very high97.3Very high5 Ų59.3 Ų9.33%0.0274%0.042CC..SBendtrans-89.3-41.6166.7-71.3-49.5000110.1K506 I526 F527 A623 A650 V651 Y756 W762K506-D625 WeakPolarHBondContact CE-OD2 3.16Å; K506-D625 IonicContact NZ-OD1 3.22Å; K506-D625 IonicContact NZ-OD2 3.83Å; K506-D625 PolarHBondContact NZ-OD2 2.92Å; I526-D625 HydrophobicContact CG2-CB 4.12Å; F527-D625 PolarHBondContact N-OD2 3.02Å; F527-D625 PolarHBondContact O-N 3.27Å; A623-D625 PolarHBondContact O-N 3.45Å; D625-A650 CarbonylContact O-C 3.39Å; D625-A650 VanDerWaalsContact O-CA 3.29Å; D625-A650 WeakPolarHBondContact O-CA 3.41Å; D625-V651 PolarHBondContact O-N 2.97Å; D625-Y756 HydrophobicContact CB-CE2 4.42Å; D625-W762 HydrophobicContact CB-CZ2 3.97Å; D625-W762 WeakPolarHBondContact O-CZ2 3.2Å
626V98.8Very high97.1Very high0 Ų010 Ų100%04%0.044CC..EExtended strand (participates in β ladder)trans-118.8139.4-179.2178.60000110.4I526 F527 D528 V529 V651 I653 V752 W762I526-V626 HydrophobicContact CG2-CB 4.48Å; I526-V626 HydrophobicContact CG2-CG2 3.62Å; F527-V626 PolarHBondContact O-N 2.9Å; D528-V626 HydrophobicContact CB-CB 4.39Å; V529-V626 PolarHBondContact N-O 3.42Å; V626-V651 CarbonylContact C-O 3.6Å; V626-V651 WeakPolarHBondContact CA-O 3.23Å; V626-I653 HydrophobicContact CG1-CG2 3.82Å; V626-V752 HydrophobicContact CG2-CG1 3.54Å; V626-W762 HydrophobicContact CG2-CH2 3.93Å; V626-W762 HydrophobicContact CG2-CZ2 4.47Å
627S98.7Very high96.8Very high0 Ų010.2 Ų10.20%05%0.046CC..EExtended strand (participates in β ladder)trans-115.3107.2-179.2165.30000110.3Q629 L645 V651 I653S627-Q629 PolarHBondContact O-N 3.04Å; S627-Q629 WeakPolarHBondContact OG-CG 3.21Å; S627-Q629 PolarHBondContact OG-NE2 3.28Å; S627-L645 VanDerWaalsContact OG-CD1 3.24Å; S627-L645 WeakPolarHBondContact OG-CD1 3.22Å; S627-V651 PolarHBondContact N-O 2.81Å; S627-I653 PolarHBondContact O-N 2.97Å
628E98.8Very high96.6Very high0 Ų010.3 Ų10.30%05%0.046CC..EExtended strand (participates in β ladder)trans-80.499-177.7-68.9-67160.300112D528 V529 Q530 K532 I630 I653 Y745 Q749D528-E628 WeakPolarHBondContact OD1-CG 3.48Å; D528-E628 VanDerWaalsContact OD1-OE1 3.12Å; V529-E628 WeakPolarHBondContact O-CB 3.36Å; V529-E628 PolarHBondContact O-N 2.7Å; Q530-E628 HydrophobicContact CB-CB 3.66Å; Q530-E628 HydrophobicContact CB-CG 4.14Å; Q530-E628 HydrophobicContact CG-CB 3.72Å; K532-E628 PolarHBondContact NZ-O 3.25Å; E628-I630 WeakPolarHBondContact OE2-CG2 3.49Å; E628-I653 HydrophobicContact CG-CG2 4.28Å; E628-I653 VanDerWaalsContact OE1-CG2 3.29Å; E628-I653 WeakPolarHBondContact OE1-CG2 3.46Å; E628-I653 WeakPolarHBondContact OE2-CG2 3.49Å; E628-Y745 VanDerWaalsContact CD-OH 3.29Å; E628-Y745 PolarHBondContact OE1-OH 3.29Å; E628-Y745 PolarHBondContact OE2-OH 2.95Å; E628-Y745 VanDerWaalsContact OE2-OH 3.06Å; E628-Q749 PolarHBondContact OE1-NE2 3.16Å
629Q98.5Very high96.2Very high8 Ų89.3 Ų9.34%0.0375%0.046CC..EExtended strand (participates in β ladder)trans-114.751.2-177.8-52.2-58.7-22.300111.8S627 S631 N642 T652 I653 A654 T655 N660S627-Q629 PolarHBondContact O-N 3.04Å; S627-Q629 WeakPolarHBondContact OG-CG 3.21Å; S627-Q629 PolarHBondContact OG-NE2 3.28Å; Q629-S631 PolarHBondContact O-N 3.45Å; Q629-N642 HydrophobicContact CG-CB 3.69Å; Q629-T652 HydrophobicContact CB-CG2 3.92Å; Q629-T652 HydrophobicContact CG-CG2 3.65Å; Q629-I653 WeakPolarHBondContact CA-O 3.49Å; Q629-I653 PolarHBondContact N-O 3.21Å; Q629-A654 HydrophobicContact CB-CB 4.28Å; Q629-T655 PolarHBondContact O-N 3.32Å; Q629-N660 WeakPolarHBondContact CB-ND2 3.28Å; Q629-N660 WeakPolarHBondContact CB-OD1 3.27Å; Q629-N660 PolarHBondContact O-ND2 3.32Å
630I98.6Very high96.1Very high0 Ų05.6 Ų5.60%03%0.033CC..  trans-97.629.4-163.464.7174.2000114.8R539 L542 N543 E628 I653 F675 Y745R539-I630 HydrophobicContact CB-CG1 4.44Å; R539-I630 VanDerWaalsContact CZ-O 3.28Å; R539-I630 PolarHBondContact NE-O 3.4Å; R539-I630 PolarHBondContact NH2-O 2.88Å; R539-I630 WeakPolarHBondContact O-CD1 3.31Å; L542-I630 HydrophobicContact CB-CD1 4.24Å; L542-I630 HydrophobicContact CD2-CD1 4.3Å; L542-I630 HydrophobicContact CG-CD1 4.32Å; N543-I630 HydrophobicContact CB-CD1 3.91Å; E628-I630 WeakPolarHBondContact OE2-CG2 3.49Å; I630-I653 HydrophobicContact CG2-CG2 4.44Å; I630-F675 HydrophobicContact CB-CE1 4.3Å; I630-F675 HydrophobicContact CB-CZ 3.86Å; I630-F675 HydrophobicContact CG2-CE1 3.63Å; I630-F675 HydrophobicContact CG2-CZ 3.62Å; I630-Y745 HydrophobicContact CD1-CE2 4.4Å; I630-Y745 HydrophobicContact CG2-CD2 4.37Å; I630-Y745 HydrophobicContact CG2-CE2 3.86Å
631S97.6Very high96Very high3 Ų36.3 Ų6.32%0.0214%0.038CC..PPolyproline II helixtrans-60.8151.1175.6-59.30000110.6Y537 R539 Q629 A633 E636 T655Y537-S631 CarbonylContact O-C 3.53Å; Y537-S631 WeakPolarHBondContact O-CA 3.41Å; R539-S631 PolarHBondContact NH2-O 2.81Å; Q629-S631 PolarHBondContact O-N 3.45Å; S631-A633 PolarHBondContact O-N 2.88Å; S631-E636 PolarHBondContact OG-OE2 2.78Å; S631-T655 WeakPolarHBondContact O-CB 3.45Å; S631-T655 VanDerWaalsContact O-CG2 3.26Å; S631-T655 WeakPolarHBondContact O-CG2 3.48Å; S631-T655 PolarHBondContact O-OG1 3.01Å
632L96.5Very high96Very high0 Ų06.3 Ų6.30%04%0.038CC..PPolyproline II helixtrans-59.2132.6172.6175.166.2000109.6Y537 S634 K635 V682 F736 F737Y537-L632 PolarHBondContact O-N 3.08Å; L632-S634 PolarHBondContact O-N 2.68Å; L632-K635 HydrophobicContact CB-CG 3.93Å; L632-K635 HydrophobicContact CD2-CG 4.02Å; L632-K635 HydrophobicContact CG-CG 4.15Å; L632-K635 VanDerWaalsContact O-CB 3.3Å; L632-K635 WeakPolarHBondContact O-CB 3.49Å; L632-K635 PolarHBondContact O-N 2.96Å; L632-V682 HydrophobicContact CD1-CG2 3.77Å; L632-V682 HydrophobicContact CD2-CG1 4.38Å; L632-V682 HydrophobicContact CG-CG2 4.32Å; L632-F736 HydrophobicContact CD2-CD1 4.28Å; L632-F737 HydrophobicContact CD1-CB 3.97Å; L632-F737 HydrophobicContact CD1-CD2 3.85Å; L632-F737 HydrophobicContact CD1-CG 4.32Å; L632-F737 HydrophobicContact CD2-CD2 3.75Å; L632-F737 HydrophobicContact CD2-CE2 4.34Å; L632-F737 HydrophobicContact CG-CD2 4.46Å
633A94.1Very high96Very high0 Ų06.3 Ų6.30%04%0.038CC..THydrogen-bonded Turntrans-52.3140.4176.800000111.5S631 L677 V682S631-A633 PolarHBondContact O-N 2.88Å; A633-L677 WeakPolarHBondContact CB-O 3.18Å; A633-V682 HydrophobicContact CB-CG2 4.35Å
634S89.2Confident95.9Very high1 Ų16.7 Ų6.71%0.0074%0.04CC..THydrogen-bonded Turntrans79.4-4.4-169.879.90000116.2I348 L632 D657I348-S634 WeakPolarHBondContact CD1-O 3.34Å; I348-S634 WeakPolarHBondContact CG1-O 3.39Å; L632-S634 PolarHBondContact O-N 2.68Å; S634-D657 WeakPolarHBondContact CA-OD1 3.48Å; S634-D657 PolarHBondContact N-OD1 2.88Å
635K91.3Very high95.9Very high32 Ų326.7 Ų6.714%0.1394%0.04CC..THydrogen-bonded Turntrans-102.5-30.6-172.6-58.3-62.8-176.81750114.8I348 Y537 L632 D657 Y686I348-K635 HydrophobicContact CD1-CD 3.92Å; Y537-K635 HydrophobicContact CD2-CB 3.68Å; Y537-K635 HydrophobicContact CE2-CB 4.41Å; Y537-K635 HydrophobicContact CG-CB 4.05Å; L632-K635 HydrophobicContact CB-CG 3.93Å; L632-K635 HydrophobicContact CD2-CG 4.02Å; L632-K635 HydrophobicContact CG-CG 4.15Å; L632-K635 VanDerWaalsContact O-CB 3.3Å; L632-K635 WeakPolarHBondContact O-CB 3.49Å; L632-K635 PolarHBondContact O-N 2.96Å; K635-D657 PolarHBondContact N-OD1 3.25Å; K635-D657 PolarHBondContact N-OD2 3.35Å; K635-Y686 WeakPolarHBondContact CE-OH 3.32Å
636E92.1Very high95.9Very high29 Ų296.5 Ų6.514%0.1364%0.038CC..  trans-90.1112.9176.7-165.979.6-111.100111.1K538 S631 S638 D657 G658K538-E636 IonicContact NZ-OE1 3.09Å; K538-E636 PolarHBondContact NZ-OE1 3.03Å; K538-E636 IonicContact NZ-OE2 2.64Å; K538-E636 PolarHBondContact NZ-OE2 2.9Å; S631-E636 PolarHBondContact OG-OE2 2.78Å; E636-S638 PolarHBondContact O-N 3.35Å; E636-D657 WeakPolarHBondContact CA-OD2 3.15Å; E636-D657 WeakPolarHBondContact CB-OD2 3.32Å; E636-D657 PolarHBondContact N-OD2 3.33Å; E636-G658 WeakPolarHBondContact O-CA 3.26Å; E636-G658 PolarHBondContact O-N 2.86Å
637A91.8Very high95.9Very high9 Ų96.5 Ų6.57%0.0744%0.039CC..SBendtrans-59.3-31.717900000113.8H346 V419 A420 H423H346-A637 VanDerWaalsContact O-CB 3.31Å; H346-A637 WeakPolarHBondContact O-CB 3.32Å; V419-A637 HydrophobicContact CG2-CB 3.78Å; A420-A637 VanDerWaalsContact CB-O 3.29Å; A420-A637 WeakPolarHBondContact CB-O 3.19Å; H423-A637 WeakPolarHBondContact CB-O 3.48Å
638S93.2Very high95.9Very high3 Ų36.5 Ų6.52%0.0214%0.039CC..  trans-161.1-61.6177.3167.90000111.1V419 N448 E636 N642 A659V419-S638 WeakPolarHBondContact O-CB 3.43Å; V419-S638 PolarHBondContact O-OG 3.05Å; N448-S638 VanDerWaalsContact ND2-CB 3.32Å; N448-S638 WeakPolarHBondContact ND2-CB 3.3Å; N448-S638 PolarHBondContact ND2-OG 2.85Å; E636-S638 PolarHBondContact O-N 3.35Å; S638-N642 PolarHBondContact O-ND2 3.49Å; S638-A659 VanDerWaalsContact O-CB 3.23Å; S638-A659 WeakPolarHBondContact O-CB 3.18Å; S638-A659 PolarHBondContact O-N 3.09Å
639G90.5Very high95.9Very high15 Ų156.6 Ų6.616%0.1554%0.039CC..  trans76.6142.6-162.700000112N642G639-N642 PolarHBondContact O-OD1 2.84Å
640T96.4Very high95.9Very high12 Ų126.2 Ų6.27%0.0744%0.037CC..SBendtrans-126.1-1517556.30000113.2L118 N448 N642 M643 K644L118-T640 HydrophobicContact CD1-CG2 4.5Å; N448-T640 HydrophobicContact CB-CG2 3.92Å; T640-N642 VanDerWaalsContact C-N 3.33Å; T640-N642 WeakPolarHBondContact CA-OD1 3.32Å; T640-N642 PolarHBondContact N-OD1 2.8Å; T640-M643 HydrophobicContact CG2-SD 4.45Å; T640-M643 PolarHBondContact O-N 2.93Å; T640-K644 WeakPolarHBondContact O-CG 3.46Å; T640-K644 PolarHBondContact O-N 3.49Å
641S96.9Very high95.8Very high14 Ų146.6 Ų6.610%0.0984%0.04CC..Hα-helixtrans-70.8-31.5173.155.20000112.2M643 K644 L645S641-M643 VanDerWaalsContact C-N 3.33Å; S641-M643 PolarHBondContact O-N 3.35Å; S641-K644 PolarHBondContact O-N 2.89Å; S641-K644 VanDerWaalsContact O-N 3.14Å; S641-L645 WeakPolarHBondContact O-CB 3.48Å; S641-L645 WeakPolarHBondContact O-CD1 3.13Å; S641-L645 VanDerWaalsContact O-CG 3.3Å; S641-L645 WeakPolarHBondContact O-CG 3.5Å; S641-L645 PolarHBondContact O-N 3.36Å
642N97.5Very high95.9Very high1 Ų16.5 Ų6.51%0.0054%0.039CC..Hα-helixtrans-52.5-48.2169.152.7-3.7000112Q629 S638 G639 T640 K644 L645 M646 N660 I663Q629-N642 HydrophobicContact CG-CB 3.69Å; S638-N642 PolarHBondContact O-ND2 3.49Å; G639-N642 PolarHBondContact O-OD1 2.84Å; T640-N642 VanDerWaalsContact C-N 3.33Å; T640-N642 WeakPolarHBondContact CA-OD1 3.32Å; T640-N642 PolarHBondContact N-OD1 2.8Å; N642-K644 VanDerWaalsContact C-N 3.34Å; N642-K644 PolarHBondContact O-N 3.37Å; N642-L645 PolarHBondContact O-N 3.45Å; N642-M646 PolarHBondContact O-N 3.29Å; N642-N660 PolarHBondContact ND2-OD1 2.89Å; N642-N660 VanDerWaalsContact ND2-OD1 3.09Å; N642-I663 HydrophobicContact CB-CD1 3.66Å
643M98.3Very high96Very high1 Ų16.5 Ų6.51%0.0054%0.039CC..Hα-helixtrans-62.6-38.7176.9-59.8167.6-175.100112.1T447 N448 I450 T640 S641 M646 L647 A659 F776T447-M643 HydrophobicContact CG2-CE 4.34Å; N448-M643 HydrophobicContact CB-CE 4.18Å; N448-M643 VanDerWaalsContact O-CE 3.3Å; N448-M643 WeakPolarHBondContact O-CE 3.31Å; I450-M643 VanDerWaalsContact CD1-C 3.49Å; I450-M643 HydrophobicContact CD1-CB 3.86Å; I450-M643 HydrophobicContact CG1-CB 4.14Å; I450-M643 HydrophobicContact CG2-CB 4.17Å; I450-M643 HydrophobicContact CG2-SD 4.41Å; T640-M643 HydrophobicContact CG2-SD 4.45Å; T640-M643 PolarHBondContact O-N 2.93Å; S641-M643 VanDerWaalsContact C-N 3.33Å; S641-M643 PolarHBondContact O-N 3.35Å; M643-M646 VanDerWaalsContact O-CG 3.23Å; M643-M646 WeakPolarHBondContact O-CG 3.08Å; M643-L647 WeakPolarHBondContact O-CB 3.16Å; M643-L647 PolarHBondContact O-N 2.86Å; M643-L647 VanDerWaalsContact O-N 3.11Å; M643-A659 HydrophobicContact CE-CB 3.52Å; M643-F776 HydrophobicContact CB-CB 4.07Å; M643-F776 HydrophobicContact CE-CD1 3.86Å; M643-F776 HydrophobicContact CE-CE1 4.48Å; M643-F776 HydrophobicContact CG-CB 3.82Å; M643-F776 HydrophobicContact CG-CD1 4.09Å; M643-F776 HydrophobicContact CG-CG 3.94Å; M643-F776 HydrophobicContact SD-CB 3.95Å; M643-F776 HydrophobicContact SD-CD1 4.18Å; M643-F776 HydrophobicContact SD-CG 4.35Å
644K98.6Very high96.2Very high8 Ų86.5 Ų6.54%0.0354%0.039CC..Hα-helixtrans-70.3-40.5-179.8-58.2165-165.9178.60111.4I450 W455 I621 T640 S641 N642 N648I450-K644 HydrophobicContact CB-CG 4.36Å; I450-K644 VanDerWaalsContact CD1-CA 3.49Å; I450-K644 HydrophobicContact CD1-CB 4.08Å; I450-K644 HydrophobicContact CD1-CG 3.59Å; I450-K644 HydrophobicContact CG2-CG 3.93Å; W455-K644 HydrophobicContact CB-CG 4.26Å; W455-K644 HydrophobicContact CD2-CD 3.54Å; W455-K644 HydrophobicContact CD2-CG 3.82Å; W455-K644 HydrophobicContact CE3-CD 3.81Å; W455-K644 HydrophobicContact CE3-CG 4.28Å; W455-K644 HydrophobicContact CG-CD 4.05Å; W455-K644 HydrophobicContact CG-CG 3.78Å; W455-K644 HydrophobicContact CH2-CD 4.11Å; W455-K644 HydrophobicContact CZ2-CD 3.85Å; W455-K644 HydrophobicContact CZ3-CD 4.09Å; I621-K644 HydrophobicContact CD1-CB 3.82Å; I621-K644 HydrophobicContact CD1-CD 3.7Å; I621-K644 HydrophobicContact CD1-CG 4.36Å; I621-K644 HydrophobicContact CG1-CB 4.49Å; I621-K644 HydrophobicContact CG2-CB 3.94Å; I621-K644 WeakPolarHBondContact CG2-O 3.49Å; T640-K644 WeakPolarHBondContact O-CG 3.46Å; T640-K644 PolarHBondContact O-N 3.49Å; S641-K644 PolarHBondContact O-N 2.89Å; S641-K644 VanDerWaalsContact O-N 3.14Å; N642-K644 VanDerWaalsContact C-N 3.34Å; N642-K644 PolarHBondContact O-N 3.37Å; K644-N648 PolarHBondContact O-N 3.36Å; K644-N648 PolarHBondContact O-ND2 2.93Å
645L98.7Very high96.6Very high0 Ų06.4 Ų6.40%04%0.039CC..Hα-helixtrans-69.5-44.8-179-73.3160.4000111I531 I621 A624 S627 S641 N642 L647 N648 G649 A650I531-L645 HydrophobicContact CG1-CD1 4.45Å; I621-L645 HydrophobicContact CB-CD2 4.31Å; I621-L645 HydrophobicContact CG1-CD2 4.1Å; I621-L645 HydrophobicContact CG1-CG 4.36Å; I621-L645 HydrophobicContact CG2-CD2 4.24Å; I621-L645 HydrophobicContact CG2-CG 4.49Å; A624-L645 HydrophobicContact CB-CD2 3.36Å; S627-L645 VanDerWaalsContact OG-CD1 3.24Å; S627-L645 WeakPolarHBondContact OG-CD1 3.22Å; S641-L645 WeakPolarHBondContact O-CB 3.48Å; S641-L645 WeakPolarHBondContact O-CD1 3.13Å; S641-L645 VanDerWaalsContact O-CG 3.3Å; S641-L645 WeakPolarHBondContact O-CG 3.5Å; S641-L645 PolarHBondContact O-N 3.36Å; N642-L645 PolarHBondContact O-N 3.45Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 3.35Å; L645-N648 CarbonylContact O-C 3.44Å; L645-N648 PolarHBondContact O-N 2.95Å; L645-N648 VanDerWaalsContact O-N 3.12Å; L645-G649 PolarHBondContact O-N 2.79Å; L645-A650 HydrophobicContact CB-CB 4.01Å; L645-A650 HydrophobicContact CD2-CB 4.39Å; L645-A650 WeakPolarHBondContact O-CB 3.44Å; L645-A650 PolarHBondContact O-N 2.98Å
646M98.1Very high96.8Very high0 Ų06.7 Ų6.70%04%0.041CC..Hα-helixtrans-63.3-38.4174.774.4173.1-64.400112.3N642 M643 N648 G649 I663 V667 N769 I770 A773 F776N642-M646 PolarHBondContact O-N 3.29Å; M643-M646 VanDerWaalsContact O-CG 3.23Å; M643-M646 WeakPolarHBondContact O-CG 3.08Å; M646-N648 PolarHBondContact O-N 2.81Å; M646-G649 PolarHBondContact O-N 3.12Å; M646-I663 HydrophobicContact CE-CG2 4.17Å; M646-I663 HydrophobicContact SD-CB 4.35Å; M646-I663 HydrophobicContact SD-CD1 3.86Å; M646-I663 HydrophobicContact SD-CG1 3.64Å; M646-I663 HydrophobicContact SD-CG2 3.93Å; M646-V667 HydrophobicContact CE-CG1 3.82Å; M646-N769 HydrophobicContact CB-CB 4.27Å; M646-N769 WeakPolarHBondContact CE-O 3.31Å; M646-N769 CarbonylContact O-C 3.58Å; M646-I770 PolarHBondContact O-N 2.96Å; M646-A773 HydrophobicContact CE-CB 4.18Å; M646-A773 HydrophobicContact CG-CB 4.21Å; M646-F776 HydrophobicContact CE-CD2 4.14Å; M646-F776 HydrophobicContact CE-CE2 3.9Å; M646-F776 HydrophobicContact SD-CD2 3.55Å; M646-F776 VanDerWaalsContact SD-CD2 3.55Å; M646-F776 HydrophobicContact SD-CE2 3.57Å; M646-F776 VanDerWaalsContact SD-CE2 3.57Å
647L98.3Very high96.9Very high1 Ų15.4 Ų5.41%0.0054%0.036CC..Hα-helixtrans-61.5-26.1177176.359.2000112.1I450 M452 W455 T456 L482 M643 L645 A773I450-L647 HydrophobicContact CD1-CB 4.44Å; I450-L647 HydrophobicContact CD1-CD2 3.67Å; M452-L647 HydrophobicContact CE-CD1 3.91Å; M452-L647 HydrophobicContact CE-CD2 4.31Å; M452-L647 HydrophobicContact CG-CD2 4.19Å; M452-L647 HydrophobicContact SD-CD1 4.34Å; W455-L647 HydrophobicContact CB-CD2 4.36Å; T456-L647 WeakPolarHBondContact OG1-CD2 3.24Å; T456-L647 WeakPolarHBondContact OG1-CG 3.32Å; L482-L647 HydrophobicContact CD1-CD1 3.59Å; M643-L647 WeakPolarHBondContact O-CB 3.16Å; M643-L647 PolarHBondContact O-N 2.86Å; M643-L647 VanDerWaalsContact O-N 3.11Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 3.35Å; L647-A773 HydrophobicContact CB-CB 3.72Å; L647-A773 HydrophobicContact CD1-CB 3.58Å; L647-A773 HydrophobicContact CG-CB 4.23Å
648N98.7Very high97Very high0 Ų05 Ų50%03%0.032CC..THydrogen-bonded Turntrans-99.711.1176.2-74.3-88.1000112.6W455 N460 K502 I621 K644 L645 M646W455-N648 PolarHBondContact O-ND2 2.92Å; N460-N648 VanDerWaalsContact CB-OD1 3.25Å; N460-N648 WeakPolarHBondContact CB-OD1 3.39Å; N460-N648 PolarHBondContact ND2-OD1 2.79Å; K502-N648 VanDerWaalsContact CE-O 3.32Å; K502-N648 WeakPolarHBondContact CE-O 3.24Å; K502-N648 PolarHBondContact NZ-O 3.19Å; I621-N648 HydrophobicContact CG2-CB 4.08Å; I621-N648 WeakPolarHBondContact CG2-ND2 3.49Å; K644-N648 PolarHBondContact O-N 3.36Å; K644-N648 PolarHBondContact O-ND2 2.93Å; L645-N648 CarbonylContact O-C 3.44Å; L645-N648 PolarHBondContact O-N 2.95Å; L645-N648 VanDerWaalsContact O-N 3.12Å; M646-N648 PolarHBondContact O-N 2.81Å
649G98.2Very high97.1Very high1 Ų14.9 Ų4.91%0.013%0.031CC..THydrogen-bonded Turntrans81.817.4172.500000115.7L645 M646 S766L645-G649 PolarHBondContact O-N 2.79Å; M646-G649 PolarHBondContact O-N 3.12Å; G649-S766 VanDerWaalsContact CA-OG 3.27Å; G649-S766 WeakPolarHBondContact CA-OG 3.46Å; G649-S766 WeakPolarHBondContact O-CB 3.35Å; G649-S766 PolarHBondContact O-OG 2.81Å
650A98.7Very high97.4Very high0 Ų04.6 Ų4.60%03%0.026CC..PPolyproline II helixtrans-76.6136.8171.100000110.8A624 D625 L645A624-A650 HydrophobicContact CB-CB 4.02Å; A624-A650 WeakPolarHBondContact O-CB 3.23Å; D625-A650 CarbonylContact O-C 3.39Å; D625-A650 VanDerWaalsContact O-CA 3.29Å; D625-A650 WeakPolarHBondContact O-CA 3.41Å; L645-A650 HydrophobicContact CB-CB 4.01Å; L645-A650 HydrophobicContact CD2-CB 4.39Å; L645-A650 WeakPolarHBondContact O-CB 3.44Å; L645-A650 PolarHBondContact O-N 2.98Å
651V98Very high97.4Very high9 Ų95.4 Ų5.46%0.0553%0.031CC..EExtended strand (participates in β ladder)trans-77.1129.1172.7-175.20000108.6D625 V626 S627 W762 I765D625-V651 PolarHBondContact O-N 2.97Å; V626-V651 CarbonylContact C-O 3.6Å; V626-V651 WeakPolarHBondContact CA-O 3.23Å; S627-V651 PolarHBondContact N-O 2.81Å; V651-W762 HydrophobicContact CB-CH2 3.62Å; V651-W762 HydrophobicContact CB-CZ2 4.11Å; V651-W762 HydrophobicContact CB-CZ3 4.09Å; V651-W762 HydrophobicContact CG1-CH2 4.4Å; V651-W762 HydrophobicContact CG1-CZ3 4.46Å; V651-W762 HydrophobicContact CG2-CD2 4.25Å; V651-W762 HydrophobicContact CG2-CE3 4.09Å; V651-W762 HydrophobicContact CG2-CH2 3.36Å; V651-W762 HydrophobicContact CG2-CZ2 3.51Å; V651-W762 HydrophobicContact CG2-CZ3 3.67Å; V651-I765 HydrophobicContact CB-CG2 4.4Å; V651-I765 HydrophobicContact CG1-CG2 4.08Å; V651-I765 HydrophobicContact CG2-CB 4.38Å; V651-I765 HydrophobicContact CG2-CG2 3.54Å
652T98.5Very high97.4Very high0 Ų05.4 Ų5.40%03%0.029CC..EExtended strand (participates in β ladder)trans-86.9132.8-179.1-65.10000110.4Q629 A654 I672 A673Q629-T652 HydrophobicContact CB-CG2 3.92Å; Q629-T652 HydrophobicContact CG-CG2 3.65Å; T652-A654 HydrophobicContact CG2-CB 3.64Å; T652-I672 HydrophobicContact CG2-CD1 3.93Å; T652-I672 HydrophobicContact CG2-CG1 4.23Å; T652-I672 VanDerWaalsContact O-CG1 3.28Å; T652-I672 WeakPolarHBondContact O-CG1 3.42Å; T652-A673 PolarHBondContact O-N 3.45Å
653I98.6Very high97.4Very high0 Ų05.3 Ų5.30%03%0.029CC..EExtended strand (participates in β ladder)trans-104.2124.2160.8-177.4165.8000107.5V626 S627 E628 Q629 I630 A673 F675 Y745 A748 Q749V626-I653 HydrophobicContact CG1-CG2 3.82Å; S627-I653 PolarHBondContact O-N 2.97Å; E628-I653 HydrophobicContact CG-CG2 4.28Å; E628-I653 VanDerWaalsContact OE1-CG2 3.29Å; E628-I653 WeakPolarHBondContact OE1-CG2 3.46Å; E628-I653 WeakPolarHBondContact OE2-CG2 3.49Å; Q629-I653 WeakPolarHBondContact CA-O 3.49Å; Q629-I653 PolarHBondContact N-O 3.21Å; I630-I653 HydrophobicContact CG2-CG2 4.44Å; I653-A673 CarbonylContact C-O 3.44Å; I653-A673 WeakPolarHBondContact CA-O 3.12Å; I653-A673 HydrophobicContact CB-CB 4.26Å; I653-A673 HydrophobicContact CG1-CB 4.24Å; I653-F675 HydrophobicContact CD1-CD1 4.41Å; I653-F675 HydrophobicContact CD1-CE1 4.45Å; I653-F675 HydrophobicContact CG1-CD1 3.83Å; I653-F675 HydrophobicContact CG1-CE1 3.81Å; I653-Y745 HydrophobicContact CD1-CD2 3.81Å; I653-Y745 HydrophobicContact CD1-CE2 3.59Å; I653-Y745 HydrophobicContact CG1-CD2 4.43Å; I653-Y745 HydrophobicContact CG1-CE2 4.23Å; I653-A748 HydrophobicContact CD1-CB 3.68Å; I653-A748 HydrophobicContact CG1-CB 4.15Å; I653-Q749 HydrophobicContact CD1-CG 3.71Å
654A98Very high97.3Very high0 Ų08.1 Ų8.10%04%0.04CC..EExtended strand (participates in β ladder)trans-147.8144-161.300000113.1Q629 T652 N660 I672 A673 I674 F675Q629-A654 HydrophobicContact CB-CB 4.28Å; T652-A654 HydrophobicContact CG2-CB 3.64Å; A654-N660 HydrophobicContact CB-CB 3.88Å; A654-N660 WeakPolarHBondContact CB-ND2 3.27Å; A654-I672 HydrophobicContact CB-CD1 4.12Å; A654-A673 PolarHBondContact N-O 2.85Å; A654-I674 HydrophobicContact CB-CD1 3.92Å; A654-I674 VanDerWaalsContact O-CA 3.28Å; A654-I674 WeakPolarHBondContact O-CA 3.43Å; A654-F675 PolarHBondContact O-N 2.89Å
655T97.9Very high97.2Very high0 Ų012 Ų120%06%0.061CC..  trans-77.1158.6152.849.10000110.4Q629 S631 D657 N660 F675Q629-T655 PolarHBondContact O-N 3.32Å; S631-T655 WeakPolarHBondContact O-CB 3.45Å; S631-T655 VanDerWaalsContact O-CG2 3.26Å; S631-T655 WeakPolarHBondContact O-CG2 3.48Å; S631-T655 PolarHBondContact O-OG1 3.01Å; T655-D657 PolarHBondContact O-N 2.96Å; T655-N660 WeakPolarHBondContact O-CB 3.21Å; T655-N660 PolarHBondContact O-ND2 3.32Å; T655-N660 VanDerWaalsContact O-ND2 3.14Å; T655-F675 HydrophobicContact CG2-CE1 4.41Å; T655-F675 HydrophobicContact CG2-CE2 4.29Å; T655-F675 HydrophobicContact CG2-CZ 4.07Å
656L95.8Very high97.1Very high37 Ų3712.8 Ų12.819%0.1947%0.067CC..SBendtrans-75.469.3172.5-67.7179.3000111.2V661 R664 I674 T678L656-V661 HydrophobicContact CB-CG2 4.39Å; L656-R664 VanDerWaalsContact CD2-NH1 3.35Å; L656-I674 HydrophobicContact CD1-CG2 4.15Å; L656-I674 HydrophobicContact CD2-CD1 3.9Å; L656-I674 HydrophobicContact CD2-CG1 4.16Å; L656-I674 HydrophobicContact CD2-CG2 3.74Å; L656-I674 HydrophobicContact CG-CG2 3.61Å; L656-T678 HydrophobicContact CD1-CG2 4.36Å
657D94.3Very high97.1Very high3 Ų313.2 Ų13.22%0.0167%0.07CC..  trans-134.7153-175.7-16022.1000112.5S634 K635 E636 T655 A659 N660S634-D657 WeakPolarHBondContact CA-OD1 3.48Å; S634-D657 PolarHBondContact N-OD1 2.88Å; K635-D657 PolarHBondContact N-OD1 3.25Å; K635-D657 PolarHBondContact N-OD2 3.35Å; E636-D657 WeakPolarHBondContact CA-OD2 3.15Å; E636-D657 WeakPolarHBondContact CB-OD2 3.32Å; E636-D657 PolarHBondContact N-OD2 3.33Å; T655-D657 PolarHBondContact O-N 2.96Å; D657-A659 PolarHBondContact O-N 2.72Å; D657-N660 VanDerWaalsContact O-CB 3.23Å; D657-N660 WeakPolarHBondContact O-CB 3.46Å; D657-N660 PolarHBondContact O-N 2.82Å
658G93.1Very high97Very high1 Ų114.7 Ų14.71%0.019%0.085CC..THydrogen-bonded Turntrans46.6-130.2176.900000114.2E636 N660E636-G658 WeakPolarHBondContact O-CA 3.26Å; E636-G658 PolarHBondContact O-N 2.86Å; G658-N660 VanDerWaalsContact C-N 3.28Å; G658-N660 PolarHBondContact O-N 3.49Å
659A95.4Very high96.9Very high0 Ų019.9 Ų19.90%011%0.113CC..THydrogen-bonded Turntrans-79.7-5.3179.200000113.4S638 M643 D657 V661 E662 I663S638-A659 VanDerWaalsContact O-CB 3.23Å; S638-A659 WeakPolarHBondContact O-CB 3.18Å; S638-A659 PolarHBondContact O-N 3.09Å; M643-A659 HydrophobicContact CE-CB 3.52Å; D657-A659 PolarHBondContact O-N 2.72Å; A659-V661 PolarHBondContact O-N 3.25Å; A659-E662 PolarHBondContact O-N 2.91Å; A659-E662 VanDerWaalsContact O-N 3.14Å; A659-I663 WeakPolarHBondContact O-CG1 3.39Å; A659-I663 PolarHBondContact O-N 3.33Å
660N97Very high96.7Very high9 Ų926.1 Ų26.15%0.04815%0.146CC..Hα-helixtrans-64.4-34.4175.8-62.3-16.7000111.3Q629 N642 A654 T655 D657 G658 E662 I663 R664Q629-N660 WeakPolarHBondContact CB-ND2 3.28Å; Q629-N660 WeakPolarHBondContact CB-OD1 3.27Å; Q629-N660 PolarHBondContact O-ND2 3.32Å; N642-N660 PolarHBondContact ND2-OD1 2.89Å; N642-N660 VanDerWaalsContact ND2-OD1 3.09Å; A654-N660 HydrophobicContact CB-CB 3.88Å; A654-N660 WeakPolarHBondContact CB-ND2 3.27Å; T655-N660 WeakPolarHBondContact O-CB 3.21Å; T655-N660 PolarHBondContact O-ND2 3.32Å; T655-N660 VanDerWaalsContact O-ND2 3.14Å; D657-N660 VanDerWaalsContact O-CB 3.23Å; D657-N660 WeakPolarHBondContact O-CB 3.46Å; D657-N660 PolarHBondContact O-N 2.82Å; G658-N660 VanDerWaalsContact C-N 3.28Å; G658-N660 PolarHBondContact O-N 3.49Å; N660-E662 VanDerWaalsContact C-N 3.29Å; N660-E662 PolarHBondContact O-N 3.4Å; N660-I663 PolarHBondContact O-N 2.75Å; N660-R664 WeakPolarHBondContact O-CB 3.3Å; N660-R664 PolarHBondContact O-N 3.1Å
661V96Very high96.6Very high28 Ų2826.5 Ų26.517%0.1715%0.148CC..Hα-helixtrans-56.9-47.5172.5-178.90000110L422 L656 A659 I663 R664 D665L422-V661 HydrophobicContact CD2-CG2 4.15Å; L656-V661 HydrophobicContact CB-CG2 4.39Å; A659-V661 PolarHBondContact O-N 3.25Å; V661-I663 PolarHBondContact O-N 3.44Å; V661-R664 PolarHBondContact O-N 2.64Å; V661-D665 PolarHBondContact O-N 3.32Å
662E97Very high96.6Very high14 Ų1426.7 Ų26.77%0.06515%0.148CC..Hα-helixtrans-69.2-33.1180-68.9-166-124.300113.2A420 K421 T447 A659 N660 A666 R775 F776A420-E662 WeakPolarHBondContact CA-OE1 3.47Å; K421-E662 PolarHBondContact N-OE1 2.92Å; T447-E662 WeakPolarHBondContact CG2-OE1 3.16Å; T447-E662 WeakPolarHBondContact CG2-OE2 3.35Å; T447-E662 PolarHBondContact OG1-OE1 2.73Å; T447-E662 PolarHBondContact OG1-OE2 3.42Å; A659-E662 PolarHBondContact O-N 2.91Å; A659-E662 VanDerWaalsContact O-N 3.14Å; N660-E662 VanDerWaalsContact C-N 3.29Å; N660-E662 PolarHBondContact O-N 3.4Å; E662-A666 WeakPolarHBondContact O-CB 3.23Å; E662-A666 PolarHBondContact O-N 3.21Å; E662-A666 VanDerWaalsContact O-N 3.11Å; E662-R775 VanDerWaalsContact CB-NH2 3.33Å; E662-R775 PolarHBondContact O-NH1 3.08Å; E662-R775 IonicContact OE2-CZ 3.78Å; E662-R775 IonicContact OE2-NH2 2.75Å; E662-R775 PolarHBondContact OE2-NH2 3.23Å; E662-F776 HydrophobicContact CB-CE1 3.97Å; E662-F776 HydrophobicContact CB-CZ 4.18Å
663I97.4Very high96.6Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-65.3-50.2173.1-68.5173.8000109.7N642 M646 A659 N660 V661 D665 A666 V667 I672 F776N642-I663 HydrophobicContact CB-CD1 3.66Å; M646-I663 HydrophobicContact CE-CG2 4.17Å; M646-I663 HydrophobicContact SD-CB 4.35Å; M646-I663 HydrophobicContact SD-CD1 3.86Å; M646-I663 HydrophobicContact SD-CG1 3.64Å; M646-I663 HydrophobicContact SD-CG2 3.93Å; A659-I663 WeakPolarHBondContact O-CG1 3.39Å; A659-I663 PolarHBondContact O-N 3.33Å; N660-I663 PolarHBondContact O-N 2.75Å; V661-I663 PolarHBondContact O-N 3.44Å; I663-D665 VanDerWaalsContact C-N 3.31Å; I663-D665 PolarHBondContact O-N 3.2Å; I663-A666 WeakPolarHBondContact O-CA 3.42Å; I663-A666 WeakPolarHBondContact O-CB 3.2Å; I663-A666 PolarHBondContact O-N 2.86Å; I663-V667 HydrophobicContact CG2-CG2 4.45Å; I663-V667 WeakPolarHBondContact O-CG2 3.21Å; I663-V667 PolarHBondContact O-N 3.08Å; I663-I672 HydrophobicContact CG2-CD1 4.09Å; I663-F776 HydrophobicContact CB-CZ 4.47Å; I663-F776 HydrophobicContact CG1-CE1 4.4Å; I663-F776 HydrophobicContact CG1-CE2 3.95Å; I663-F776 HydrophobicContact CG1-CZ 3.77Å
664R97.4Very high96.6Very high59 Ų5929.9 Ų29.922%0.22317%0.166CC..Hα-helixtrans-54.5-47.7175.1-179.4-156.767.7-176.5-2.6110.9L656 N660 V661 A666 V667 G668 D669 I672 I674L656-R664 VanDerWaalsContact CD2-NH1 3.35Å; N660-R664 WeakPolarHBondContact O-CB 3.3Å; N660-R664 PolarHBondContact O-N 3.1Å; V661-R664 PolarHBondContact O-N 2.64Å; R664-A666 PolarHBondContact O-N 3.26Å; R664-V667 PolarHBondContact O-N 2.93Å; R664-G668 WeakPolarHBondContact O-CA 3.4Å; R664-G668 PolarHBondContact O-N 2.8Å; R664-D669 WeakPolarHBondContact CD-OD1 3.29Å; R664-D669 WeakPolarHBondContact CG-OD1 3.47Å; R664-D669 IonicContact NE-OD1 2.76Å; R664-I672 HydrophobicContact CB-CD1 4.35Å; R664-I672 HydrophobicContact CB-CG2 4.04Å; R664-I672 HydrophobicContact CG-CG2 3.87Å; R664-I674 HydrophobicContact CG-CG1 4.45Å
665D97.2Very high96.6Very high90 Ų9030.5 Ų30.548%0.48117%0.169SC..Hα-helixtrans-61.7-26.8178-63.2-11.5000112.6V661 I663V661-D665 PolarHBondContact O-N 3.32Å; I663-D665 VanDerWaalsContact C-N 3.31Å; I663-D665 PolarHBondContact O-N 3.2Å
666A96.6Very high96.6Very high16 Ų1631.6 Ų31.613%0.13218%0.18CC..Hα-helixtrans-84-38.3178.700000113.3E662 I663 R664 N772 F776E662-A666 WeakPolarHBondContact O-CB 3.23Å; E662-A666 PolarHBondContact O-N 3.21Å; E662-A666 VanDerWaalsContact O-N 3.11Å; I663-A666 WeakPolarHBondContact O-CA 3.42Å; I663-A666 WeakPolarHBondContact O-CB 3.2Å; I663-A666 PolarHBondContact O-N 2.86Å; R664-A666 PolarHBondContact O-N 3.26Å; A666-N772 HydrophobicContact CB-CB 4.2Å; A666-N772 VanDerWaalsContact O-CG 3.23Å; A666-N772 PolarHBondContact O-OD1 3.05Å; A666-F776 HydrophobicContact CB-CE2 4.21Å; A666-F776 HydrophobicContact CB-CZ 4.37Å
667V97.2Very high96.7Very high10 Ų1030 Ų306%0.06117%0.172CC..Hα-helixtrans-99.4-19-174.3-54.20000113.5M646 I663 R664 N671 I672 N772M646-V667 HydrophobicContact CE-CG1 3.82Å; I663-V667 HydrophobicContact CG2-CG2 4.45Å; I663-V667 WeakPolarHBondContact O-CG2 3.21Å; I663-V667 PolarHBondContact O-N 3.08Å; R664-V667 PolarHBondContact O-N 2.93Å; V667-N671 HydrophobicContact CB-CB 4.14Å; V667-N671 HydrophobicContact CG2-CB 4.08Å; V667-N671 PolarHBondContact O-ND2 2.94Å; V667-I672 HydrophobicContact CG2-CB 4.21Å; V667-I672 HydrophobicContact CG2-CG2 4.26Å; V667-N772 HydrophobicContact CG1-CB 4.18Å
668G97Very high96.8Very high31 Ų3131.9 Ų31.932%0.3218%0.183SC..  trans82.4152.5-173.500000113.4R664 D670 N671R664-G668 WeakPolarHBondContact O-CA 3.4Å; R664-G668 PolarHBondContact O-N 2.8Å; G668-D670 PolarHBondContact O-N 3.47Å; G668-D670 VanDerWaalsContact O-N 3.16Å; G668-N671 PolarHBondContact O-N 3.45Å
669D94.8Very high96.7Very high110 Ų11034.3 Ų34.359%0.58820%0.195SC*.G310 helixtrans-56.8-34.2-171.8-64.9-23.8000113.5R664 N671R664-D669 WeakPolarHBondContact CD-OD1 3.29Å; R664-D669 WeakPolarHBondContact CG-OD1 3.47Å; R664-D669 IonicContact NE-OD1 2.76Å; D669-N671 PolarHBondContact O-N 3.45Å; D669-N671 VanDerWaalsContact O-N 3.16Å
670D94.8Very high96.6Very high131 Ų13137.3 Ų37.370%0.70122%0.215SC*.G310 helixtrans-72.1-8.1-178.6-60.2-38.1000114.1G668 R761G668-D670 PolarHBondContact O-N 3.47Å; G668-D670 VanDerWaalsContact O-N 3.16Å; D670-R761 PolarHBondContact O-NH2 2.92Å
671N97.4Very high96.6Very high9 Ų940.4 Ų40.45%0.04823%0.23CC..G310 helixtrans-116.413.6-172.7-52.6-62.1000112.9V667 G668 D669 R761 I765 R768 N769V667-N671 HydrophobicContact CB-CB 4.14Å; V667-N671 HydrophobicContact CG2-CB 4.08Å; V667-N671 PolarHBondContact O-ND2 2.94Å; G668-N671 PolarHBondContact O-N 3.45Å; D669-N671 PolarHBondContact O-N 3.45Å; D669-N671 VanDerWaalsContact O-N 3.16Å; N671-R761 PolarHBondContact OD1-NH1 3.21Å; N671-R761 PolarHBondContact OD1-NH2 2.73Å; N671-I765 HydrophobicContact CB-CG2 3.98Å; N671-I765 WeakPolarHBondContact O-CG2 3.42Å; N671-R768 PolarHBondContact OD1-NH1 3.25Å; N671-N769 PolarHBondContact O-ND2 3.49Å; N671-N769 VanDerWaalsContact O-ND2 3.1Å
672I98Very high96.5Very high12 Ų1239 Ų396%0.06222%0.221CC..SBendtrans-148.3142.8176.3-174.9167000109.1T652 A654 I663 R664 V667 I674T652-I672 HydrophobicContact CG2-CD1 3.93Å; T652-I672 HydrophobicContact CG2-CG1 4.23Å; T652-I672 VanDerWaalsContact O-CG1 3.28Å; T652-I672 WeakPolarHBondContact O-CG1 3.42Å; A654-I672 HydrophobicContact CB-CD1 4.12Å; I663-I672 HydrophobicContact CG2-CD1 4.09Å; R664-I672 HydrophobicContact CB-CD1 4.35Å; R664-I672 HydrophobicContact CB-CG2 4.04Å; R664-I672 HydrophobicContact CG-CG2 3.87Å; V667-I672 HydrophobicContact CG2-CB 4.21Å; V667-I672 HydrophobicContact CG2-CG2 4.26Å; I672-I674 HydrophobicContact CD1-CD1 3.78Å; I672-I674 HydrophobicContact CG1-CD1 3.87Å; I672-I674 HydrophobicContact CG1-CG1 4.47Å; I672-I674 HydrophobicContact CG2-CD1 4.21Å; I672-I674 HydrophobicContact CG2-CG1 4.08Å
673A97.8Very high96.2Very high10 Ų1041 Ų418%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-96.796.517800000110.3T652 I653 A654 A748 V752T652-A673 PolarHBondContact O-N 3.45Å; I653-A673 CarbonylContact C-O 3.44Å; I653-A673 WeakPolarHBondContact CA-O 3.12Å; I653-A673 HydrophobicContact CB-CB 4.26Å; I653-A673 HydrophobicContact CG1-CB 4.24Å; A654-A673 PolarHBondContact N-O 2.85Å; A673-A748 HydrophobicContact CB-CB 4.41Å; A673-V752 HydrophobicContact CB-CG2 4.11Å
674I97.8Very high96.1Very high57 Ų5745.9 Ų45.929%0.29225%0.251SS..EExtended strand (participates in β ladder)trans-87.1138.6179.2-60-58.1000111.3A654 L656 R664 I672A654-I674 HydrophobicContact CB-CD1 3.92Å; A654-I674 VanDerWaalsContact O-CA 3.28Å; A654-I674 WeakPolarHBondContact O-CA 3.43Å; L656-I674 HydrophobicContact CD1-CG2 4.15Å; L656-I674 HydrophobicContact CD2-CD1 3.9Å; L656-I674 HydrophobicContact CD2-CG1 4.16Å; L656-I674 HydrophobicContact CD2-CG2 3.74Å; L656-I674 HydrophobicContact CG-CG2 3.61Å; R664-I674 HydrophobicContact CG-CG1 4.45Å; I672-I674 HydrophobicContact CD1-CD1 3.78Å; I672-I674 HydrophobicContact CG1-CD1 3.87Å; I672-I674 HydrophobicContact CG1-CG1 4.47Å; I672-I674 HydrophobicContact CG2-CD1 4.21Å; I672-I674 HydrophobicContact CG2-CG1 4.08Å
675F98.3Very high96Very high14 Ų1445.7 Ų45.76%0.06125%0.251CS..  trans-152.2172.3174.977.8-79.7000113.2L542 I630 I653 A654 T655 D741 D744 Y745 A748L542-F675 HydrophobicContact CD2-CE2 4.03Å; L542-F675 HydrophobicContact CD2-CZ 4.17Å; I630-F675 HydrophobicContact CB-CE1 4.3Å; I630-F675 HydrophobicContact CB-CZ 3.86Å; I630-F675 HydrophobicContact CG2-CE1 3.63Å; I630-F675 HydrophobicContact CG2-CZ 3.62Å; I653-F675 HydrophobicContact CD1-CD1 4.41Å; I653-F675 HydrophobicContact CD1-CE1 4.45Å; I653-F675 HydrophobicContact CG1-CD1 3.83Å; I653-F675 HydrophobicContact CG1-CE1 3.81Å; A654-F675 PolarHBondContact O-N 2.89Å; T655-F675 HydrophobicContact CG2-CE1 4.41Å; T655-F675 HydrophobicContact CG2-CE2 4.29Å; T655-F675 HydrophobicContact CG2-CZ 4.07Å; F675-D741 HydrophobicContact CE2-CB 4.3Å; F675-D744 HydrophobicContact CB-CB 4.28Å; F675-D744 HydrophobicContact CD2-CB 4.32Å; F675-Y745 HydrophobicContact CD1-CD2 4.2Å; F675-Y745 VanDerWaalsContact CD2-CA 3.45Å; F675-Y745 HydrophobicContact CD2-CD2 4.25Å; F675-Y745 HydrophobicContact CD2-CG 4.44Å; F675-Y745 AromaticContact CE1-CD2 3.65Å; F675-Y745 HydrophobicContact CE1-CD2 3.65Å; F675-Y745 HydrophobicContact CE1-CE2 4.26Å; F675-Y745 VanDerWaalsContact CE2-CB 3.47Å; F675-Y745 AromaticContact CE2-CD2 3.72Å; F675-Y745 HydrophobicContact CE2-CD2 3.72Å; F675-Y745 AromaticContact CE2-CG 3.93Å; F675-Y745 HydrophobicContact CE2-CG 3.93Å; F675-Y745 HydrophobicContact CG-CD2 4.48Å; F675-Y745 AromaticContact CZ-CD2 3.37Å; F675-Y745 HydrophobicContact CZ-CD2 3.37Å; F675-Y745 HydrophobicContact CZ-CE2 4.14Å; F675-Y745 HydrophobicContact CZ-CG 4.02Å; F675-A748 HydrophobicContact CB-CB 3.77Å; F675-A748 HydrophobicContact CD1-CB 4.16Å; F675-A748 HydrophobicContact CG-CB 4.16Å
676G97.7Very high95.7Very high22 Ų2245.3 Ų45.323%0.22724%0.243CC..SBendtrans80.5-177.8168.300000114D741G676-D741 VanDerWaalsContact CA-CG 3.5Å; G676-D741 WeakPolarHBondContact CA-OD1 3.34Å
677L97.6Very high95.6Very high3 Ų351.5 Ų51.52%0.01627%0.27CS..  trans-58.7141.2179.9-61.4179.6000112.1A633 E681 V682 Y685 F737 R740 D741A633-L677 WeakPolarHBondContact CB-O 3.18Å; L677-E681 HydrophobicContact CB-CB 4.33Å; L677-E681 HydrophobicContact CD2-CB 4.13Å; L677-V682 HydrophobicContact CB-CG2 3.77Å; L677-V682 HydrophobicContact CD1-CG2 3.95Å; L677-Y685 HydrophobicContact CD1-CD2 3.85Å; L677-Y685 HydrophobicContact CD1-CE2 3.84Å; L677-Y685 HydrophobicContact CD2-CD2 4.47Å; L677-Y685 HydrophobicContact CD2-CE2 3.76Å; L677-Y685 HydrophobicContact CG-CE2 4.47Å; L677-F737 HydrophobicContact CD1-CB 4.16Å; L677-F737 HydrophobicContact CD1-CD1 3.88Å; L677-F737 HydrophobicContact CD1-CD2 4.49Å; L677-F737 HydrophobicContact CD1-CE1 4.38Å; L677-F737 HydrophobicContact CD1-CG 3.94Å; L677-R740 HydrophobicContact CD1-CG 3.98Å; L677-R740 HydrophobicContact CD2-CG 4.18Å; L677-R740 HydrophobicContact CG-CG 4.2Å; L677-D741 WeakPolarHBondContact CG-OD1 3.48Å; L677-D741 PolarHBondContact N-OD1 3.4Å
678T96.2Very high95.5Very high43 Ų4355.8 Ų55.826%0.26429%0.292SS..  trans-78.2162.1164.766.10000110.9L656 S680 E681 V682L656-T678 HydrophobicContact CD1-CG2 4.36Å; T678-S680 VanDerWaalsContact C-N 3.3Å; T678-S680 PolarHBondContact O-N 3.3Å; T678-S680 PolarHBondContact OG1-OG 2.93Å; T678-S680 VanDerWaalsContact OG1-OG 3.12Å; T678-E681 WeakPolarHBondContact CB-OE2 3.4Å; T678-E681 WeakPolarHBondContact CG2-OE2 3.19Å; T678-E681 PolarHBondContact N-OE2 2.97Å; T678-E681 PolarHBondContact O-N 2.83Å; T678-E681 VanDerWaalsContact OG1-CG 3.27Å; T678-E681 WeakPolarHBondContact OG1-CG 3.46Å; T678-E681 PolarHBondContact OG1-N 2.72Å; T678-E681 PolarHBondContact OG1-OE2 3.47Å; T678-V682 WeakPolarHBondContact O-CG2 3.43Å; T678-V682 PolarHBondContact O-N 3.25Å
679E92.2Very high95.4Very high53 Ų5365 Ų6525%0.24832%0.317CS..Hα-helixtrans-54-45.3175.9170.3-95.3151.900112.1L426 E681 V682 Y683L426-E679 HydrophobicContact CD1-CG 4.36Å; L426-E679 HydrophobicContact CD2-CG 3.99Å; L426-E679 WeakPolarHBondContact CD2-OE1 3.38Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 2.62Å; E679-V682 WeakPolarHBondContact O-CB 3.41Å; E679-V682 PolarHBondContact O-N 2.81Å; E679-Y683 HydrophobicContact CG-CD2 3.98Å; E679-Y683 HydrophobicContact CG-CE2 3.82Å; E679-Y683 VanDerWaalsContact O-CD2 3.27Å; E679-Y683 WeakPolarHBondContact O-CD2 3.43Å; E679-Y683 PolarHBondContact O-N 3.14Å; E679-Y683 VanDerWaalsContact OE1-CD2 3.23Å; E679-Y683 WeakPolarHBondContact OE1-CD2 3.34Å; E679-Y683 VanDerWaalsContact OE1-CE2 3.23Å; E679-Y683 WeakPolarHBondContact OE1-CE2 3.39Å
680S93.1Very high95.4Very high62 Ų6264.5 Ų64.543%0.43432%0.315SS..Hα-helixtrans-61.5-36.2176.354.90000113.8T678 Q684T678-S680 VanDerWaalsContact C-N 3.3Å; T678-S680 PolarHBondContact O-N 3.3Å; T678-S680 PolarHBondContact OG1-OG 2.93Å; T678-S680 VanDerWaalsContact OG1-OG 3.12Å; S680-Q684 VanDerWaalsContact O-CG 3.26Å; S680-Q684 WeakPolarHBondContact O-CG 3.32Å; S680-Q684 PolarHBondContact O-N 3.05Å
681E96.3Very high95.5Very high74 Ų7459.3 Ų59.335%0.34629%0.285SS..Hα-helixtrans-72.1-37.5178.2-69.2169131.800111.2L677 T678 E679 Q684 Y685L677-E681 HydrophobicContact CB-CB 4.33Å; L677-E681 HydrophobicContact CD2-CB 4.13Å; T678-E681 WeakPolarHBondContact CB-OE2 3.4Å; T678-E681 WeakPolarHBondContact CG2-OE2 3.19Å; T678-E681 PolarHBondContact N-OE2 2.97Å; T678-E681 PolarHBondContact O-N 2.83Å; T678-E681 VanDerWaalsContact OG1-CG 3.27Å; T678-E681 WeakPolarHBondContact OG1-CG 3.46Å; T678-E681 PolarHBondContact OG1-N 2.72Å; T678-E681 PolarHBondContact OG1-OE2 3.47Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 2.62Å; E681-Q684 WeakPolarHBondContact O-CB 3.32Å; E681-Q684 PolarHBondContact O-N 3.36Å; E681-Y685 WeakPolarHBondContact O-CD2 3.35Å; E681-Y685 PolarHBondContact O-N 3.06Å
682V94.4Very high95.5Very high0 Ų060.6 Ų60.60%030%0.295CS..Hα-helixtrans-58.8-47.9173.3170.60000110.7L632 A633 L677 T678 E679 Q684 Y685 Y686 F737L632-V682 HydrophobicContact CD1-CG2 3.77Å; L632-V682 HydrophobicContact CD2-CG1 4.38Å; L632-V682 HydrophobicContact CG-CG2 4.32Å; A633-V682 HydrophobicContact CB-CG2 4.35Å; L677-V682 HydrophobicContact CB-CG2 3.77Å; L677-V682 HydrophobicContact CD1-CG2 3.95Å; T678-V682 WeakPolarHBondContact O-CG2 3.43Å; T678-V682 PolarHBondContact O-N 3.25Å; E679-V682 WeakPolarHBondContact O-CB 3.41Å; E679-V682 PolarHBondContact O-N 2.81Å; V682-Q684 PolarHBondContact O-N 3.21Å; V682-Y685 PolarHBondContact O-N 2.95Å; V682-Y686 HydrophobicContact CG1-CD2 4.09Å; V682-Y686 HydrophobicContact CG1-CE1 4.35Å; V682-Y686 HydrophobicContact CG1-CE2 3.31Å; V682-Y686 VanDerWaalsContact CG1-CZ 3.45Å; V682-Y686 WeakPolarHBondContact CG1-OH 3.22Å; V682-Y686 WeakPolarHBondContact O-CD2 3.34Å; V682-Y686 PolarHBondContact O-N 2.84Å; V682-Y686 VanDerWaalsContact O-N 3.11Å; V682-F737 HydrophobicContact CG1-CE2 4.23Å
683Y90.8Very high95.5Very high56 Ų5660 Ų6022%0.2229%0.292CS..Hα-helixtrans-64.4-38176-79.8-76.8000112.8L426 V430 E679 Y685 Y686 E687L426-Y683 HydrophobicContact CD2-CE2 4.15Å; V430-Y683 HydrophobicContact CG1-CE1 4.49Å; E679-Y683 HydrophobicContact CG-CD2 3.98Å; E679-Y683 HydrophobicContact CG-CE2 3.82Å; E679-Y683 VanDerWaalsContact O-CD2 3.27Å; E679-Y683 WeakPolarHBondContact O-CD2 3.43Å; E679-Y683 PolarHBondContact O-N 3.14Å; E679-Y683 VanDerWaalsContact OE1-CD2 3.23Å; E679-Y683 WeakPolarHBondContact OE1-CD2 3.34Å; E679-Y683 VanDerWaalsContact OE1-CE2 3.23Å; E679-Y683 WeakPolarHBondContact OE1-CE2 3.39Å; Y683-Y685 VanDerWaalsContact C-N 3.31Å; Y683-Y685 PolarHBondContact O-N 2.86Å; Y683-Y686 HydrophobicContact CD1-CD2 4.09Å; Y683-Y686 PolarHBondContact O-N 3.41Å; Y683-Y686 VanDerWaalsContact O-N 3.13Å; Y683-E687 WeakPolarHBondContact O-CB 3.4Å; Y683-E687 WeakPolarHBondContact O-CG 3.24Å; Y683-E687 PolarHBondContact O-N 3.13Å
684Q95.4Very high95.5Very high102 Ų10261.3 Ų61.348%0.47730%0.303SS..Hα-helixtrans-59.8-38.9173.4-75.7171.610.400112.4S680 E681 V682 N688S680-Q684 VanDerWaalsContact O-CG 3.26Å; S680-Q684 WeakPolarHBondContact O-CG 3.32Å; S680-Q684 PolarHBondContact O-N 3.05Å; E681-Q684 WeakPolarHBondContact O-CB 3.32Å; E681-Q684 PolarHBondContact O-N 3.36Å; V682-Q684 PolarHBondContact O-N 3.21Å; Q684-N688 WeakPolarHBondContact O-CB 3.16Å; Q684-N688 VanDerWaalsContact O-CG 3.22Å; Q684-N688 PolarHBondContact O-N 3.36Å; Q684-N688 PolarHBondContact O-ND2 3.13Å
685Y95.4Very high95.5Very high54 Ų5462.7 Ų62.721%0.21231%0.311CS..Hα-helixtrans-66-40.6173.7-81.1-70.3000112.3L677 E681 V682 Y683 R689 N690 F737 R740L677-Y685 HydrophobicContact CD1-CD2 3.85Å; L677-Y685 HydrophobicContact CD1-CE2 3.84Å; L677-Y685 HydrophobicContact CD2-CD2 4.47Å; L677-Y685 HydrophobicContact CD2-CE2 3.76Å; L677-Y685 HydrophobicContact CG-CE2 4.47Å; E681-Y685 WeakPolarHBondContact O-CD2 3.35Å; E681-Y685 PolarHBondContact O-N 3.06Å; V682-Y685 PolarHBondContact O-N 2.95Å; Y683-Y685 VanDerWaalsContact C-N 3.31Å; Y683-Y685 PolarHBondContact O-N 2.86Å; Y685-R689 WeakPolarHBondContact O-CA 3.47Å; Y685-R689 PolarHBondContact O-N 2.72Å; Y685-N690 VanDerWaalsContact CD1-OD1 3.25Å; Y685-N690 WeakPolarHBondContact CD1-OD1 3.38Å; Y685-F737 HydrophobicContact CD1-CE1 4.23Å; Y685-F737 AromaticContact CD2-CE1 3.89Å; Y685-F737 HydrophobicContact CD2-CE1 3.89Å; Y685-F737 HydrophobicContact CD2-CZ 4.37Å; Y685-F737 AromaticContact CG-CE1 3.66Å; Y685-F737 HydrophobicContact CG-CE1 3.66Å; Y685-F737 HydrophobicContact CG-CZ 4.07Å; Y685-R740 PolarHBondContact OH-NE 3.46Å; Y685-R740 VanDerWaalsContact OH-NE 3.16Å
686Y91.4Very high95.4Very high82 Ų8263.9 Ų63.932%0.32232%0.317SS..Hα-helixtrans-62.9-42.9176.1-62.8-33.5000112.3K635 V682 Y683 R689 F737K635-Y686 WeakPolarHBondContact CE-OH 3.32Å; V682-Y686 HydrophobicContact CG1-CD2 4.09Å; V682-Y686 HydrophobicContact CG1-CE1 4.35Å; V682-Y686 HydrophobicContact CG1-CE2 3.31Å; V682-Y686 VanDerWaalsContact CG1-CZ 3.45Å; V682-Y686 WeakPolarHBondContact CG1-OH 3.22Å; V682-Y686 WeakPolarHBondContact O-CD2 3.34Å; V682-Y686 PolarHBondContact O-N 2.84Å; V682-Y686 VanDerWaalsContact O-N 3.11Å; Y683-Y686 HydrophobicContact CD1-CD2 4.09Å; Y683-Y686 PolarHBondContact O-N 3.41Å; Y683-Y686 VanDerWaalsContact O-N 3.13Å; Y686-R689 WeakPolarHBondContact O-CG 3.37Å; Y686-F737 HydrophobicContact CD1-CE2 4.31Å; Y686-F737 HydrophobicContact CD1-CZ 4.3Å; Y686-F737 AromaticContact CE1-CE2 3.55Å; Y686-F737 HydrophobicContact CE1-CE2 3.55Å; Y686-F737 AromaticContact CE1-CZ 3.98Å; Y686-F737 HydrophobicContact CE1-CZ 3.98Å; Y686-F737 AromaticContact CZ-CE2 3.98Å
687E93.5Very high95.5Very high146 Ų14664.4 Ų64.468%0.68231%0.313SS*.Hα-helixtrans-67.4-48.6179-72.8174.8-177.100111.8Y683Y683-E687 WeakPolarHBondContact O-CB 3.4Å; Y683-E687 WeakPolarHBondContact O-CG 3.24Å; Y683-E687 PolarHBondContact O-N 3.13Å
688N95.5Very high95.4Very high100 Ų10071.7 Ų71.754%0.53534%0.344SS..Hα-helixtrans-79.2-19.2-175.1-66.2-40.7000113.4Q684 N690Q684-N688 WeakPolarHBondContact O-CB 3.16Å; Q684-N688 VanDerWaalsContact O-CG 3.22Å; Q684-N688 PolarHBondContact O-N 3.36Å; Q684-N688 PolarHBondContact O-ND2 3.13Å; N688-N690 HydrophobicContact CB-CB 4.27Å; N688-N690 PolarHBondContact O-N 3.14Å; N688-N690 VanDerWaalsContact O-N 3.16Å
689R94.2Very high95.5Very high225 Ų22575.6 Ų75.685%0.84936%0.363SS*.THydrogen-bonded Turntrans49.638.6-177.5-57.2-176.8179.3-170.6-1113.1Y685 Y686Y685-R689 WeakPolarHBondContact O-CA 3.47Å; Y685-R689 PolarHBondContact O-N 2.72Å; Y686-R689 WeakPolarHBondContact O-CG 3.37Å
690N95.3Very high95.8Very high99 Ų9975.7 Ų75.753%0.52937%0.366SS..  trans-111.37.7-172.566.1-12.4000113.6Y685 N688Y685-N690 VanDerWaalsContact CD1-OD1 3.25Å; Y685-N690 WeakPolarHBondContact CD1-OD1 3.38Å; N688-N690 HydrophobicContact CB-CB 4.27Å; N688-N690 PolarHBondContact O-N 3.14Å; N688-N690 VanDerWaalsContact O-N 3.16Å
691Y96.8Very high96Very high23 Ų2376.6 Ų76.69%0.0938%0.377CS..  trans-76.6130.5171.9179.6-128000110.9I696 N733 D734 F737 R740Y691-I696 HydrophobicContact CE2-CD1 3.67Å; Y691-N733 WeakPolarHBondContact CE1-O 3.47Å; Y691-N733 PolarHBondContact O-ND2 2.69Å; Y691-N733 PolarHBondContact O-OD1 3.26Å; Y691-D734 HydrophobicContact CE1-CB 3.97Å; Y691-D734 WeakPolarHBondContact CE1-O 3.32Å; Y691-D734 PolarHBondContact OH-OD2 3.01Å; Y691-F737 AromaticContact CD1-CD1 3.75Å; Y691-F737 HydrophobicContact CD1-CD1 3.75Å; Y691-F737 AromaticContact CD1-CE1 3.58Å; Y691-F737 HydrophobicContact CD1-CE1 3.58Å; Y691-F737 HydrophobicContact CD1-CZ 4.41Å; Y691-F737 HydrophobicContact CD2-CD1 4.09Å; Y691-F737 HydrophobicContact CD2-CE1 4.1Å; Y691-F737 AromaticContact CE1-CD1 3.79Å; Y691-F737 HydrophobicContact CE1-CD1 3.79Å; Y691-F737 HydrophobicContact CE1-CE1 4.12Å; Y691-F737 HydrophobicContact CE1-CG 4.49Å; Y691-F737 HydrophobicContact CE2-CD1 4.17Å; Y691-F737 AromaticContact CG-CD1 3.9Å; Y691-F737 HydrophobicContact CG-CD1 3.9Å; Y691-F737 AromaticContact CG-CE1 3.56Å; Y691-F737 HydrophobicContact CG-CE1 3.56Å; Y691-R740 HydrophobicContact CD2-CB 4.48Å; Y691-R740 HydrophobicContact CE2-CB 3.68Å; Y691-R740 HydrophobicContact CE2-CG 4.4Å; Y691-R740 PolarHBondContact OH-N 3.25Å
692S97.5Very high96Very high36 Ų3676.2 Ų76.225%0.25238%0.379SS..  trans-134.8101175.1178.20000109.4A694 D695 I696 N733S692-A694 VanDerWaalsContact C-N 3.26Å; S692-A694 PolarHBondContact O-N 3.24Å; S692-D695 WeakPolarHBondContact CB-OD2 3.35Å; S692-D695 PolarHBondContact O-N 3.39Å; S692-D695 PolarHBondContact OG-N 2.87Å; S692-D695 PolarHBondContact OG-OD2 3.4Å; S692-I696 PolarHBondContact O-N 3.11Å; S692-N733 WeakPolarHBondContact CA-OD1 3.43Å
693S97.8Very high96.2Very high0 Ų076.3 Ų76.30%038%0.38CS..Hα-helixtrans-68.3-29.5177.9650000112.1D695 I696 Y697 L729 N733S693-D695 VanDerWaalsContact C-N 3.34Å; S693-I696 PolarHBondContact O-N 3.43Å; S693-Y697 WeakPolarHBondContact O-CB 3.47Å; S693-Y697 PolarHBondContact O-N 3.14Å; S693-L729 WeakPolarHBondContact CB-O 3.39Å; S693-L729 PolarHBondContact OG-O 2.82Å; S693-N733 PolarHBondContact N-OD1 3.39Å; S693-N733 WeakPolarHBondContact OG-CA 3.26Å; S693-N733 PolarHBondContact OG-OD1 3.11Å
694A97.9Very high96.6Very high37 Ų3776.9 Ų76.931%0.30638%0.384SS..Hα-helixtrans-65.1-36.7175.400000112.2S692 Y697 K698 I730S692-A694 VanDerWaalsContact C-N 3.26Å; S692-A694 PolarHBondContact O-N 3.24Å; A694-Y697 PolarHBondContact O-N 2.79Å; A694-K698 WeakPolarHBondContact O-CB 3.36Å; A694-K698 PolarHBondContact O-N 2.89Å; A694-I730 HydrophobicContact CB-CG2 4.14Å
695D97.6Very high96.7Very high85 Ų8575.1 Ų75.146%0.45538%0.375SS..Hα-helixtrans-68.6-42.4175.1-67.9-35000110.8S692 S693 Y697 K698 D699S692-D695 WeakPolarHBondContact CB-OD2 3.35Å; S692-D695 PolarHBondContact O-N 3.39Å; S692-D695 PolarHBondContact OG-N 2.87Å; S692-D695 PolarHBondContact OG-OD2 3.4Å; S693-D695 VanDerWaalsContact C-N 3.34Å; D695-Y697 VanDerWaalsContact C-N 3.35Å; D695-Y697 PolarHBondContact O-N 3.29Å; D695-K698 PolarHBondContact O-N 2.98Å; D695-K698 VanDerWaalsContact O-N 3.15Å; D695-D699 WeakPolarHBondContact O-CB 3.29Å; D695-D699 PolarHBondContact O-N 2.84Å
696I97.7Very high96.9Very high40 Ų4072.7 Ų72.721%0.20537%0.366CS..Hα-helixtrans-58.5-47.5173.3-61.5-178.4000110.7Y691 S692 S693 K698 D699 D700 V703 L739 R740Y691-I696 HydrophobicContact CE2-CD1 3.67Å; S692-I696 PolarHBondContact O-N 3.11Å; S693-I696 PolarHBondContact O-N 3.43Å; I696-K698 PolarHBondContact O-N 3.46Å; I696-D699 PolarHBondContact O-N 3.36Å; I696-D700 HydrophobicContact CG2-CB 4.45Å; I696-D700 WeakPolarHBondContact O-CB 3.28Å; I696-D700 PolarHBondContact O-N 3.18Å; I696-V703 HydrophobicContact CG2-CB 4.45Å; I696-V703 HydrophobicContact CG2-CG1 4.24Å; I696-V703 HydrophobicContact CG2-CG2 4.12Å; I696-L739 HydrophobicContact CG2-CB 4.33Å; I696-R740 HydrophobicContact CD1-CB 4.31Å
697Y97.9Very high97.2Very high32 Ų3268.8 Ų68.813%0.12535%0.351CS..Hα-helixtrans-61.6-29.4178.6173.3-102.6000113.6S693 A694 D695 H704 V707 F726 I730S693-Y697 WeakPolarHBondContact O-CB 3.47Å; S693-Y697 PolarHBondContact O-N 3.14Å; A694-Y697 PolarHBondContact O-N 2.79Å; D695-Y697 VanDerWaalsContact C-N 3.35Å; D695-Y697 PolarHBondContact O-N 3.29Å; Y697-H704 AromaticContact CE1-CE1 3.87Å; Y697-H704 AromaticContact CE1-ND1 3.59Å; Y697-H704 HydrophobicContact CE2-CB 4.43Å; Y697-H704 AromaticContact CE2-ND1 3.69Å; Y697-H704 WeakPolarHBondContact CE2-O 3.4Å; Y697-H704 AromaticContact CZ-CE1 3.57Å; Y697-H704 AromaticContact CZ-ND1 3.32Å; Y697-H704 VanDerWaalsContact CZ-ND1 3.32Å; Y697-H704 WeakPolarHBondContact O-CB 3.29Å; Y697-H704 PolarHBondContact O-ND1 2.8Å; Y697-H704 PolarHBondContact OH-CE1 3.49Å; Y697-H704 VanDerWaalsContact OH-CE1 3.26Å; Y697-H704 PolarHBondContact OH-ND1 2.99Å; Y697-V707 HydrophobicContact CD2-CB 3.72Å; Y697-V707 HydrophobicContact CD2-CG1 3.78Å; Y697-V707 HydrophobicContact CD2-CG2 4.35Å; Y697-V707 HydrophobicContact CE2-CB 3.67Å; Y697-V707 HydrophobicContact CE2-CG1 3.71Å; Y697-F726 HydrophobicContact CE1-CE2 4.32Å; Y697-F726 HydrophobicContact CE1-CZ 4.32Å; Y697-F726 HydrophobicContact CE2-CE2 4.2Å; Y697-F726 AromaticContact CZ-CE2 3.88Å; Y697-I730 VanDerWaalsContact CB-CD1 3.47Å; Y697-I730 HydrophobicContact CD1-CD1 4.19Å; Y697-I730 HydrophobicContact CD2-CD1 4.04Å; Y697-I730 HydrophobicContact CG-CD1 3.63Å; Y697-I730 HydrophobicContact CG-CG1 4.38Å
698K97.5Very high97.4Very high157 Ų15766.1 Ų66.168%0.68334%0.337SS*.Hα-helixtrans-81.9-39.8179-179.1-172.8167.8-1600112.2A694 D695 I696A694-K698 WeakPolarHBondContact O-CB 3.36Å; A694-K698 PolarHBondContact O-N 2.89Å; D695-K698 PolarHBondContact O-N 2.98Å; D695-K698 VanDerWaalsContact O-N 3.15Å; I696-K698 PolarHBondContact O-N 3.46Å
699D97.2Very high97.6Very high124 Ų12461.4 Ų61.466%0.66331%0.312SS*.Hα-helixtrans-95.3-26.9-168.4-65.4-14.9000113D695 I696D695-D699 WeakPolarHBondContact O-CB 3.29Å; D695-D699 PolarHBondContact O-N 2.84Å; I696-D699 PolarHBondContact O-N 3.36Å
700D97.6Very high97.8Very high56 Ų5650.9 Ų50.930%0.29927%0.272SS..  trans-95.1110.1174.8-174-41.2000110.9I696 V702 V703 H704I696-D700 HydrophobicContact CG2-CB 4.45Å; I696-D700 WeakPolarHBondContact O-CB 3.28Å; I696-D700 PolarHBondContact O-N 3.18Å; D700-V702 VanDerWaalsContact C-N 3.28Å; D700-V702 PolarHBondContact O-N 2.93Å; D700-V702 WeakPolarHBondContact OD1-CA 3.29Å; D700-V702 WeakPolarHBondContact OD1-CB 3.4Å; D700-V702 PolarHBondContact OD1-N 3Å; D700-V703 HydrophobicContact CB-CB 3.96Å; D700-V703 HydrophobicContact CB-CG2 3.9Å; D700-V703 PolarHBondContact O-N 2.93Å; D700-V703 PolarHBondContact OD1-N 3.36Å; D700-H704 WeakPolarHBondContact O-CB 3.37Å; D700-H704 PolarHBondContact O-N 3.25Å
701A97.6Very high97.9Very high80 Ų8049.3 Ų49.366%0.66126%0.263SS*.Hα-helixtrans-63.1-30-178.200000113.8K705A701-K705 WeakPolarHBondContact O-CB 3.23Å; A701-K705 PolarHBondContact O-N 3.4Å; A701-K705 VanDerWaalsContact O-N 3.11Å
702V97.9Very high97.9Very high66 Ų6652 Ų5240%0.428%0.279SS..Hα-helixtrans-72.9-48.8177.5-178.20000109.2K549 D700 H704 K705 V706 F742K549-V702 HydrophobicContact CG-CG1 3.85Å; D700-V702 VanDerWaalsContact C-N 3.28Å; D700-V702 PolarHBondContact O-N 2.93Å; D700-V702 WeakPolarHBondContact OD1-CA 3.29Å; D700-V702 WeakPolarHBondContact OD1-CB 3.4Å; D700-V702 PolarHBondContact OD1-N 3Å; V702-H704 VanDerWaalsContact C-N 3.3Å; V702-H704 PolarHBondContact O-N 2.83Å; V702-K705 PolarHBondContact O-N 2.79Å; V702-V706 HydrophobicContact CG1-CG2 4.35Å; V702-V706 WeakPolarHBondContact O-CB 3.27Å; V702-V706 VanDerWaalsContact O-CG2 3.27Å; V702-V706 WeakPolarHBondContact O-CG2 3.45Å; V702-V706 PolarHBondContact O-N 2.99Å; V702-F742 HydrophobicContact CG1-CE1 4.08Å
703V98.3Very high97.9Very high2 Ų253.1 Ų53.11%0.01230%0.297CS..Hα-helixtrans-58.8-44.8175.4176.20000110.3I696 D700 K705 V706 V707 L739 F742I696-V703 HydrophobicContact CG2-CB 4.45Å; I696-V703 HydrophobicContact CG2-CG1 4.24Å; I696-V703 HydrophobicContact CG2-CG2 4.12Å; D700-V703 HydrophobicContact CB-CB 3.96Å; D700-V703 HydrophobicContact CB-CG2 3.9Å; D700-V703 PolarHBondContact O-N 2.93Å; D700-V703 PolarHBondContact OD1-N 3.36Å; V703-K705 PolarHBondContact O-N 3.35Å; V703-V706 PolarHBondContact O-N 2.74Å; V703-V707 HydrophobicContact CG1-CG2 3.96Å; V703-V707 WeakPolarHBondContact O-CB 3.42Å; V703-V707 WeakPolarHBondContact O-CG2 3.23Å; V703-V707 PolarHBondContact O-N 3.16Å; V703-L739 HydrophobicContact CG1-CD1 4.06Å; V703-L739 HydrophobicContact CG1-CD2 4.05Å; V703-L739 HydrophobicContact CG1-CG 4.46Å; V703-F742 HydrophobicContact CG2-CD1 3.66Å; V703-F742 HydrophobicContact CG2-CE1 4.27Å; V703-F742 HydrophobicContact CG2-CG 4.46Å
704H98.4Very high97.9Very high68 Ų6855.6 Ų55.632%0.31531%0.312SS..Hα-helixtrans-53.1-53.1176.7-174.677.9000111.5Y697 D700 V702 K708Y697-H704 AromaticContact CE1-CE1 3.87Å; Y697-H704 AromaticContact CE1-ND1 3.59Å; Y697-H704 HydrophobicContact CE2-CB 4.43Å; Y697-H704 AromaticContact CE2-ND1 3.69Å; Y697-H704 WeakPolarHBondContact CE2-O 3.4Å; Y697-H704 AromaticContact CZ-CE1 3.57Å; Y697-H704 AromaticContact CZ-ND1 3.32Å; Y697-H704 VanDerWaalsContact CZ-ND1 3.32Å; Y697-H704 WeakPolarHBondContact O-CB 3.29Å; Y697-H704 PolarHBondContact O-ND1 2.8Å; Y697-H704 PolarHBondContact OH-CE1 3.49Å; Y697-H704 VanDerWaalsContact OH-CE1 3.26Å; Y697-H704 PolarHBondContact OH-ND1 2.99Å; D700-H704 WeakPolarHBondContact O-CB 3.37Å; D700-H704 PolarHBondContact O-N 3.25Å; V702-H704 VanDerWaalsContact C-N 3.3Å; V702-H704 PolarHBondContact O-N 2.83Å; H704-K708 WeakPolarHBondContact O-CB 3.45Å; H704-K708 PolarHBondContact O-N 3.19Å
705K98Very high97.9Very high65 Ų6554.1 Ų54.128%0.28330%0.299SS..Hα-helixtrans-62.5-45.4-177.5-172.9-172.1170.9-168.20111.8L552 E556 A701 V702 V703 A709L552-K705 HydrophobicContact CD1-CD 4.39Å; L552-K705 HydrophobicContact CD1-CG 4.1Å; E556-K705 WeakPolarHBondContact OE1-CE 3.43Å; E556-K705 IonicContact OE1-NZ 2.6Å; E556-K705 PolarHBondContact OE1-NZ 3.24Å; E556-K705 IonicContact OE2-NZ 3.11Å; E556-K705 PolarHBondContact OE2-NZ 2.94Å; E556-K705 VanDerWaalsContact OE2-NZ 3.11Å; A701-K705 WeakPolarHBondContact O-CB 3.23Å; A701-K705 PolarHBondContact O-N 3.4Å; A701-K705 VanDerWaalsContact O-N 3.11Å; V702-K705 PolarHBondContact O-N 2.79Å; V703-K705 PolarHBondContact O-N 3.35Å; K705-A709 PolarHBondContact O-N 2.97Å
706V98.5Very high97.9Very high3 Ų352.7 Ų52.72%0.01829%0.294CS..Hα-helixtrans-68.6-47.2-177.2170.30000111.9L545 I548 K549 L552 V702 V703 K708 A709 F742L545-V706 HydrophobicContact CB-CG1 3.85Å; L545-V706 HydrophobicContact CD2-CG1 4.03Å; L545-V706 HydrophobicContact CG-CG1 4.42Å; L545-V706 VanDerWaalsContact O-CG1 3.26Å; L545-V706 WeakPolarHBondContact O-CG1 3.2Å; I548-V706 HydrophobicContact CB-CG1 4.19Å; I548-V706 HydrophobicContact CG2-CG1 4.02Å; K549-V706 HydrophobicContact CB-CG2 3.62Å; K549-V706 HydrophobicContact CG-CG2 4.06Å; L552-V706 HydrophobicContact CD1-CG2 4.41Å; V702-V706 HydrophobicContact CG1-CG2 4.35Å; V702-V706 WeakPolarHBondContact O-CB 3.27Å; V702-V706 VanDerWaalsContact O-CG2 3.27Å; V702-V706 WeakPolarHBondContact O-CG2 3.45Å; V702-V706 PolarHBondContact O-N 2.99Å; V703-V706 PolarHBondContact O-N 2.74Å; V706-K708 VanDerWaalsContact C-N 3.35Å; V706-A709 WeakPolarHBondContact O-CB 3.07Å; V706-A709 PolarHBondContact O-N 2.83Å; V706-F742 HydrophobicContact CG1-CZ 4.29Å; V706-F742 HydrophobicContact CG2-CZ 4.28Å
707V98.5Very high97.9Very high1 Ų155.9 Ų55.91%0.00631%0.312CS..Hα-helixtrans-70.8-34-179.8172.70000110.9L545 Y697 V703 A709 L710 F726 L729 I730 L739L545-V707 HydrophobicContact CD1-CG2 4.42Å; Y697-V707 HydrophobicContact CD2-CB 3.72Å; Y697-V707 HydrophobicContact CD2-CG1 3.78Å; Y697-V707 HydrophobicContact CD2-CG2 4.35Å; Y697-V707 HydrophobicContact CE2-CB 3.67Å; Y697-V707 HydrophobicContact CE2-CG1 3.71Å; V703-V707 HydrophobicContact CG1-CG2 3.96Å; V703-V707 WeakPolarHBondContact O-CB 3.42Å; V703-V707 WeakPolarHBondContact O-CG2 3.23Å; V703-V707 PolarHBondContact O-N 3.16Å; V707-A709 VanDerWaalsContact C-N 3.27Å; V707-A709 PolarHBondContact O-N 3.03Å; V707-L710 VanDerWaalsContact O-CB 3.3Å; V707-L710 WeakPolarHBondContact O-CB 3.43Å; V707-L710 WeakPolarHBondContact O-CG 3.46Å; V707-L710 PolarHBondContact O-N 2.83Å; V707-F726 HydrophobicContact CG1-CD2 3.68Å; V707-F726 HydrophobicContact CG1-CE2 3.92Å; V707-L729 HydrophobicContact CG1-CD1 4.45Å; V707-L729 HydrophobicContact CG2-CD1 4.44Å; V707-I730 HydrophobicContact CG1-CD1 4.37Å; V707-I730 HydrophobicContact CG1-CG1 4.37Å; V707-L739 HydrophobicContact CG2-CD1 4.43Å; V707-L739 HydrophobicContact CG2-CD2 3.7Å
708K98.2Very high97.9Very high89 Ų8954.5 Ų54.539%0.38731%0.307SS..Hα-helixtrans-63.6-31.4175.4-175.2178176.4-1760112.9H704 V706 L710 I711 D712H704-K708 WeakPolarHBondContact O-CB 3.45Å; H704-K708 PolarHBondContact O-N 3.19Å; V706-K708 VanDerWaalsContact C-N 3.35Å; K708-L710 PolarHBondContact O-N 2.75Å; K708-I711 WeakPolarHBondContact O-CG1 3.48Å; K708-I711 PolarHBondContact O-N 3.35Å; K708-D712 HydrophobicContact CG-CB 4.01Å; K708-D712 PolarHBondContact O-N 3.29Å
709A98.3Very high97.9Very high2 Ų254.5 Ų54.52%0.01731%0.312CS..THydrogen-bonded Turntrans-59.9-18.8176.600000113.6I548 L552 K705 V706 V707 I711 D712 T714I548-A709 HydrophobicContact CG2-CB 4.01Å; L552-A709 HydrophobicContact CD1-CB 4.45Å; K705-A709 PolarHBondContact O-N 2.97Å; V706-A709 WeakPolarHBondContact O-CB 3.07Å; V706-A709 PolarHBondContact O-N 2.83Å; V707-A709 VanDerWaalsContact C-N 3.27Å; V707-A709 PolarHBondContact O-N 3.03Å; A709-I711 VanDerWaalsContact C-N 3.3Å; A709-D712 WeakPolarHBondContact CA-OD1 3.11Å; A709-T714 HydrophobicContact CB-CG2 4.16Å
710L98.5Very high97.9Very high3 Ų352.4 Ų52.42%0.01631%0.307CS..THydrogen-bonded Turntrans-72.2-21.3174.2-58.9175.3000113.2L545 I548 V586 V707 K708 I715 G722 I725 L729L545-L710 HydrophobicContact CD2-CD1 4.21Å; I548-L710 HydrophobicContact CD1-CD2 4.05Å; V586-L710 HydrophobicContact CG1-CD2 3.93Å; V707-L710 VanDerWaalsContact O-CB 3.3Å; V707-L710 WeakPolarHBondContact O-CB 3.43Å; V707-L710 WeakPolarHBondContact O-CG 3.46Å; V707-L710 PolarHBondContact O-N 2.83Å; K708-L710 PolarHBondContact O-N 2.75Å; L710-I715 HydrophobicContact CD2-CD1 4.37Å; L710-G722 WeakPolarHBondContact O-CA 3.23Å; L710-I725 HydrophobicContact CD1-CB 4.46Å; L710-I725 HydrophobicContact CD1-CG2 3.75Å; L710-L729 HydrophobicContact CD1-CD1 4.39Å
711I98.2Very high97.9Very high66 Ų6650.7 Ų50.734%0.33830%0.297SS..THydrogen-bonded Turntrans-130.8-10-170.159.8162.9000114.6K708 A709 F726K708-I711 WeakPolarHBondContact O-CG1 3.48Å; K708-I711 PolarHBondContact O-N 3.35Å; A709-I711 VanDerWaalsContact C-N 3.3Å; I711-F726 HydrophobicContact CD1-CD1 4.34Å; I711-F726 HydrophobicContact CD1-CD2 3.63Å; I711-F726 HydrophobicContact CD1-CE1 4.26Å; I711-F726 HydrophobicContact CD1-CE2 3.54Å; I711-F726 HydrophobicContact CD1-CG 4.04Å; I711-F726 HydrophobicContact CD1-CZ 3.88Å; I711-F726 HydrophobicContact CG1-CD2 4.05Å; I711-F726 HydrophobicContact CG1-CE2 4.32Å; I711-F726 HydrophobicContact CG2-CB 3.59Å; I711-F726 HydrophobicContact CG2-CD2 4.08Å; I711-F726 HydrophobicContact CG2-CG 3.86Å
712D97.3Very high97.9Very high79 Ų7946.9 Ų46.942%0.42227%0.266SS..SBendtrans-93.11.8-177.1721.9000114.6K708 A709 T714K708-D712 HydrophobicContact CG-CB 4.01Å; K708-D712 PolarHBondContact O-N 3.29Å; A709-D712 WeakPolarHBondContact CA-OD1 3.11Å; D712-T714 WeakPolarHBondContact OD1-CB 3.49Å; D712-T714 PolarHBondContact OD1-N 2.8Å; D712-T714 PolarHBondContact OD1-OG1 3.25Å; D712-T714 PolarHBondContact OD2-OG1 3.47Å
713G96.9Very high98Very high60 Ų6047.6 Ų47.662%0.61927%0.265SS*.SBendtrans875.4-178.700000114.8I715G713-I715 VanDerWaalsContact C-N 3.32Å; G713-I715 PolarHBondContact O-N 3.35Å
714T97.3Very high97.9Very high53 Ų5350.7 Ų50.733%0.32528%0.28SS..SBendtrans-56.8-46.3172.7-640000111.5L552 A709 D712L552-T714 HydrophobicContact CD2-CG2 4.33Å; A709-T714 HydrophobicContact CB-CG2 4.16Å; D712-T714 WeakPolarHBondContact OD1-CB 3.49Å; D712-T714 PolarHBondContact OD1-N 2.8Å; D712-T714 PolarHBondContact OD1-OG1 3.25Å; D712-T714 PolarHBondContact OD2-OG1 3.47Å
715I98.2Very high98Very high6 Ų647.5 Ų47.53%0.03127%0.265CS..SBendtrans-95.5118.8172.2-57.9159000107.6I548 E589 T590 L593 L710 G713 I718I548-I715 HydrophobicContact CD1-CD1 3.7Å; I548-I715 HydrophobicContact CG1-CD1 4.15Å; E589-I715 HydrophobicContact CB-CG2 3.91Å; T590-I715 WeakPolarHBondContact OG1-CD1 3.48Å; L593-I715 HydrophobicContact CD2-CG1 4.34Å; L710-I715 HydrophobicContact CD2-CD1 4.37Å; G713-I715 VanDerWaalsContact C-N 3.32Å; G713-I715 PolarHBondContact O-N 3.35Å; I715-I718 HydrophobicContact CB-CD1 3.6Å; I715-I718 HydrophobicContact CB-CG1 4.08Å; I715-I718 HydrophobicContact CD1-CD1 4.17Å; I715-I718 HydrophobicContact CG2-CD1 3.7Å; I715-I718 HydrophobicContact CG2-CG1 3.99Å; I715-I718 HydrophobicContact CG2-CG2 4.14Å; I715-I718 WeakPolarHBondContact O-CG1 3.49Å
716P97.3Very high98Very high55 Ų5545.8 Ų45.836%0.35726%0.257SS..THydrogen-bonded Turntrans-72.3161-178.929.8-34.5000112I718P716-I718 VanDerWaalsContact C-N 3.28Å; P716-I718 PolarHBondContact O-N 2.81Å
717N97.5Very high98Very high107 Ų10747.4 Ų47.457%0.57227%0.266SS*.THydrogen-bonded Turntrans61.222170.4-45-48.7000117.1K585 E589K585-N717 VanDerWaalsContact CE-O 3.23Å; K585-N717 WeakPolarHBondContact CE-O 3.17Å; E589-N717 HydrophobicContact CG-CB 4.21Å; E589-N717 PolarHBondContact OE2-ND2 2.94Å
718I98.1Very high97.9Very high3 Ų348.7 Ų48.72%0.01528%0.275CS..  trans-12325.117963.2159.1000113.2V586 E589 I715 P716 S720 E721 G722V586-I718 HydrophobicContact CB-CG2 4.42Å; V586-I718 HydrophobicContact CG1-CD1 3.92Å; V586-I718 HydrophobicContact CG2-CB 4.12Å; V586-I718 HydrophobicContact CG2-CD1 4.24Å; V586-I718 HydrophobicContact CG2-CG2 3.97Å; E589-I718 HydrophobicContact CB-CG2 3.62Å; E589-I718 HydrophobicContact CG-CG2 3.62Å; I715-I718 HydrophobicContact CB-CD1 3.6Å; I715-I718 HydrophobicContact CB-CG1 4.08Å; I715-I718 HydrophobicContact CD1-CD1 4.17Å; I715-I718 HydrophobicContact CG2-CD1 3.7Å; I715-I718 HydrophobicContact CG2-CG1 3.99Å; I715-I718 HydrophobicContact CG2-CG2 4.14Å; I715-I718 WeakPolarHBondContact O-CG1 3.49Å; P716-I718 VanDerWaalsContact C-N 3.28Å; P716-I718 PolarHBondContact O-N 2.81Å; I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 2.87Å; I718-E721 PolarHBondContact O-N 3.46Å; I718-G722 VanDerWaalsContact O-CA 3.27Å; I718-G722 WeakPolarHBondContact O-CA 3.21Å; I718-G722 PolarHBondContact O-N 2.99Å
719I97.3Very high98Very high156 Ų15644.4 Ų44.480%0.826%0.256SS*.Hα-helixtrans-56-42.3-172.5-61.2173.7000111.5Q723I719-Q723 VanDerWaalsContact O-CB 3.29Å; I719-Q723 WeakPolarHBondContact O-CB 3.48Å; I719-Q723 PolarHBondContact O-N 3.46Å
720S97.1Very high97.9Very high80 Ų8045.8 Ų45.856%0.55926%0.263SS*.Hα-helixtrans-78.8-49.9-179.9-172.90000111.6I718 Q723 E724I718-S720 VanDerWaalsContact C-N 3.26Å; I718-S720 PolarHBondContact O-N 2.87Å; S720-Q723 PolarHBondContact O-N 3.19Å; S720-E724 PolarHBondContact O-N 3Å
721E98.4Very high97.8Very high20 Ų2051.8 Ų51.89%0.09329%0.289CS..Hα-helixtrans-69-40.1-174.6-63.270.1-146.800111.5Y153 K585 V586 I718 E724 I725Y153-E721 HydrophobicContact CE1-CG 4.14Å; Y153-E721 WeakPolarHBondContact CE1-OE1 3.45Å; Y153-E721 PolarHBondContact OH-OE1 2.82Å; Y153-E721 PolarHBondContact OH-OE2 3.02Å; K585-E721 HydrophobicContact CB-CG 4.05Å; K585-E721 HydrophobicContact CG-CB 4.41Å; K585-E721 HydrophobicContact CG-CG 3.8Å; V586-E721 HydrophobicContact CG2-CB 3.87Å; I718-E721 PolarHBondContact O-N 3.46Å; E721-E724 PolarHBondContact O-N 3.09Å; E721-I725 VanDerWaalsContact O-CG1 3.31Å; E721-I725 WeakPolarHBondContact O-CG1 3.3Å; E721-I725 PolarHBondContact O-N 2.97Å
722G98.5Very high97.8Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-63.9-41173.700000112L710 I718 I725 F726L710-G722 WeakPolarHBondContact O-CA 3.23Å; I718-G722 VanDerWaalsContact O-CA 3.27Å; I718-G722 WeakPolarHBondContact O-CA 3.21Å; I718-G722 PolarHBondContact O-N 2.99Å; G722-I725 PolarHBondContact O-N 2.82Å; G722-F726 VanDerWaalsContact O-CB 3.3Å; G722-F726 WeakPolarHBondContact O-CB 3.34Å; G722-F726 PolarHBondContact O-N 2.98Å
723Q98.3Very high97.8Very high81 Ų8155 Ų5538%0.37930%0.296SS..Hα-helixtrans-66.7-40.6173.4-172.764.958.600112.1I719 S720 I725 F726 D727I719-Q723 VanDerWaalsContact O-CB 3.29Å; I719-Q723 WeakPolarHBondContact O-CB 3.48Å; I719-Q723 PolarHBondContact O-N 3.46Å; S720-Q723 PolarHBondContact O-N 3.19Å; Q723-I725 VanDerWaalsContact C-N 3.35Å; Q723-I725 PolarHBondContact O-N 3.06Å; Q723-F726 PolarHBondContact O-N 3.47Å; Q723-D727 PolarHBondContact NE2-OD1 2.96Å; Q723-D727 WeakPolarHBondContact O-CB 3.49Å; Q723-D727 PolarHBondContact O-N 3.39Å
724E98Very high97.8Very high68 Ų6852.3 Ų52.332%0.31827%0.268SS..Hα-helixtrans-60.2-44.8175.9-175.1-176-17500111.5Y579 S582 S720 E721 D727 S728Y579-E724 WeakPolarHBondContact CA-OE1 3.36Å; Y579-E724 HydrophobicContact CD2-CG 4.28Å; S582-E724 WeakPolarHBondContact CB-OE2 3.07Å; S582-E724 PolarHBondContact OG-OE2 2.79Å; S720-E724 PolarHBondContact O-N 3Å; E721-E724 PolarHBondContact O-N 3.09Å; E724-D727 PolarHBondContact O-N 3.14Å; E724-S728 WeakPolarHBondContact O-CB 3.27Å; E724-S728 PolarHBondContact O-N 2.71Å
725I98.6Very high97.7Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-66.8-43.1176.5-66.9171.1000111.2L541 Y579 V583 V586 L710 E721 G722 Q723 D727 S728 L729L541-I725 HydrophobicContact CD1-CD1 4.47Å; L541-I725 HydrophobicContact CD1-CG2 3.71Å; L541-I725 HydrophobicContact CD2-CG2 3.66Å; L541-I725 HydrophobicContact CG-CG2 4.34Å; Y579-I725 HydrophobicContact CE2-CG1 4.07Å; V583-I725 HydrophobicContact CB-CD1 4.48Å; V583-I725 HydrophobicContact CG2-CD1 3.85Å; V583-I725 HydrophobicContact CG2-CG1 4.2Å; V586-I725 HydrophobicContact CB-CD1 4.13Å; V586-I725 HydrophobicContact CG2-CD1 3.6Å; L710-I725 HydrophobicContact CD1-CB 4.46Å; L710-I725 HydrophobicContact CD1-CG2 3.75Å; E721-I725 VanDerWaalsContact O-CG1 3.31Å; E721-I725 WeakPolarHBondContact O-CG1 3.3Å; E721-I725 PolarHBondContact O-N 2.97Å; G722-I725 PolarHBondContact O-N 2.82Å; Q723-I725 VanDerWaalsContact C-N 3.35Å; Q723-I725 PolarHBondContact O-N 3.06Å; I725-D727 VanDerWaalsContact C-N 3.34Å; I725-D727 PolarHBondContact O-N 2.77Å; I725-S728 WeakPolarHBondContact O-CB 3.38Å; I725-S728 PolarHBondContact O-N 2.78Å; I725-L729 HydrophobicContact CG2-CD1 4.01Å; I725-L729 HydrophobicContact CG2-CG 4.43Å; I725-L729 WeakPolarHBondContact O-CG 3.05Å; I725-L729 PolarHBondContact O-N 3.5Å
726F98.6Very high97.6Very high30 Ų3056.8 Ų56.813%0.13229%0.285CS..Hα-helixtrans-59.3-45.5175.7-179-86.1000111.6Y697 V707 I711 G722 Q723 L729 I730Y697-F726 HydrophobicContact CE1-CE2 4.32Å; Y697-F726 HydrophobicContact CE1-CZ 4.32Å; Y697-F726 HydrophobicContact CE2-CE2 4.2Å; Y697-F726 AromaticContact CZ-CE2 3.88Å; V707-F726 HydrophobicContact CG1-CD2 3.68Å; V707-F726 HydrophobicContact CG1-CE2 3.92Å; I711-F726 HydrophobicContact CD1-CD1 4.34Å; I711-F726 HydrophobicContact CD1-CD2 3.63Å; I711-F726 HydrophobicContact CD1-CE1 4.26Å; I711-F726 HydrophobicContact CD1-CE2 3.54Å; I711-F726 HydrophobicContact CD1-CG 4.04Å; I711-F726 HydrophobicContact CD1-CZ 3.88Å; I711-F726 HydrophobicContact CG1-CD2 4.05Å; I711-F726 HydrophobicContact CG1-CE2 4.32Å; I711-F726 HydrophobicContact CG2-CB 3.59Å; I711-F726 HydrophobicContact CG2-CD2 4.08Å; I711-F726 HydrophobicContact CG2-CG 3.86Å; G722-F726 VanDerWaalsContact O-CB 3.3Å; G722-F726 WeakPolarHBondContact O-CB 3.34Å; G722-F726 PolarHBondContact O-N 2.98Å; Q723-F726 PolarHBondContact O-N 3.47Å; F726-L729 PolarHBondContact O-N 2.95Å; F726-I730 HydrophobicContact CD1-CB 4.48Å; F726-I730 HydrophobicContact CD1-CG1 4.4Å; F726-I730 HydrophobicContact CD2-CG1 4.19Å; F726-I730 HydrophobicContact CE1-CB 4.09Å; F726-I730 HydrophobicContact CE1-CG1 4.09Å; F726-I730 HydrophobicContact CE1-CG2 4.38Å; F726-I730 HydrophobicContact CE2-CG1 3.87Å; F726-I730 HydrophobicContact CG-CG1 4.44Å; F726-I730 HydrophobicContact CZ-CB 4.22Å; F726-I730 HydrophobicContact CZ-CG1 3.82Å; F726-I730 HydrophobicContact CZ-CG2 4.35Å; F726-I730 WeakPolarHBondContact O-CB 3.49Å; F726-I730 WeakPolarHBondContact O-CG1 3.31Å; F726-I730 PolarHBondContact O-N 2.96Å
727D98.2Very high97.6Very high36 Ų3654.5 Ų54.519%0.19327%0.27CS..Iπ-helixtrans-62.9-43.4177.1-84.217.7000111.2Q723 E724 I725 L729 I730 K731 Y732Q723-D727 PolarHBondContact NE2-OD1 2.96Å; Q723-D727 WeakPolarHBondContact O-CB 3.49Å; Q723-D727 PolarHBondContact O-N 3.39Å; E724-D727 PolarHBondContact O-N 3.14Å; I725-D727 VanDerWaalsContact C-N 3.34Å; I725-D727 PolarHBondContact O-N 2.77Å; D727-L729 VanDerWaalsContact C-N 3.33Å; D727-L729 PolarHBondContact O-N 2.92Å; D727-I730 PolarHBondContact O-N 2.87Å; D727-K731 HydrophobicContact CB-CB 4.31Å; D727-K731 HydrophobicContact CB-CD 4.44Å; D727-K731 CarbonylContact O-C 3.6Å; D727-K731 WeakPolarHBondContact O-CA 3.48Å; D727-K731 VanDerWaalsContact O-CB 3.29Å; D727-K731 WeakPolarHBondContact O-CB 3.44Å; D727-K731 PolarHBondContact O-N 3.19Å; D727-K731 IonicContact OD2-NZ 3.81Å; D727-Y732 HydrophobicContact CB-CD2 4.34Å; D727-Y732 HydrophobicContact CB-CE2 3.94Å; D727-Y732 WeakPolarHBondContact O-CD2 3.31Å; D727-Y732 PolarHBondContact O-N 3.31Å
728S98Very high97.7Very high28 Ų2849.7 Ų49.720%0.19624%0.244CC..Iπ-helixtrans-55.3-47.6173.8-177.90000112.2Y579 E724 I725 Y732 D734Y579-S728 PolarHBondContact OH-OG 3.14Å; E724-S728 WeakPolarHBondContact O-CB 3.27Å; E724-S728 PolarHBondContact O-N 2.71Å; I725-S728 WeakPolarHBondContact O-CB 3.38Å; I725-S728 PolarHBondContact O-N 2.78Å; S728-Y732 CarbonylContact O-C 3.57Å; S728-D734 PolarHBondContact O-N 3.01Å; S728-D734 VanDerWaalsContact O-N 3.07Å
729L98.4Very high97.7Very high0 Ų049.7 Ų49.70%024%0.244CC..Iπ-helixtrans-71-45.6-178.8-67.8172.9000112.3L541 L545 S693 V707 L710 I725 F726 D727 D734 V738 L739L541-L729 HydrophobicContact CD2-CD1 4.2Å; L541-L729 HydrophobicContact CD2-CD2 4.02Å; L541-L729 HydrophobicContact CD2-CG 4.26Å; L545-L729 HydrophobicContact CD1-CD1 4.37Å; S693-L729 WeakPolarHBondContact CB-O 3.39Å; S693-L729 PolarHBondContact OG-O 2.82Å; V707-L729 HydrophobicContact CG1-CD1 4.45Å; V707-L729 HydrophobicContact CG2-CD1 4.44Å; L710-L729 HydrophobicContact CD1-CD1 4.39Å; I725-L729 HydrophobicContact CG2-CD1 4.01Å; I725-L729 HydrophobicContact CG2-CG 4.43Å; I725-L729 WeakPolarHBondContact O-CG 3.05Å; I725-L729 PolarHBondContact O-N 3.5Å; F726-L729 PolarHBondContact O-N 2.95Å; D727-L729 VanDerWaalsContact C-N 3.33Å; D727-L729 PolarHBondContact O-N 2.92Å; L729-D734 HydrophobicContact CD2-CB 4.17Å; L729-D734 WeakPolarHBondContact O-CB 3.07Å; L729-D734 PolarHBondContact O-N 3.5Å; L729-V738 HydrophobicContact CD2-CB 3.88Å; L729-V738 HydrophobicContact CD2-CG1 4.12Å; L729-V738 HydrophobicContact CD2-CG2 4.39Å; L729-L739 HydrophobicContact CB-CD1 4.4Å; L729-L739 HydrophobicContact CD1-CD2 4.25Å; L729-L739 HydrophobicContact CD2-CD2 4.28Å; L729-L739 HydrophobicContact CD2-CG 4.25Å
730I98.1Very high97.7Very high30 Ų3045.7 Ų45.715%0.15422%0.219CC..Iπ-helixtrans-101.8-48.4-167.2-54.7-52.9000112.5A694 Y697 V707 F726 D727 L739A694-I730 HydrophobicContact CB-CG2 4.14Å; Y697-I730 VanDerWaalsContact CB-CD1 3.47Å; Y697-I730 HydrophobicContact CD1-CD1 4.19Å; Y697-I730 HydrophobicContact CD2-CD1 4.04Å; Y697-I730 HydrophobicContact CG-CD1 3.63Å; Y697-I730 HydrophobicContact CG-CG1 4.38Å; V707-I730 HydrophobicContact CG1-CD1 4.37Å; V707-I730 HydrophobicContact CG1-CG1 4.37Å; F726-I730 HydrophobicContact CD1-CB 4.48Å; F726-I730 HydrophobicContact CD1-CG1 4.4Å; F726-I730 HydrophobicContact CD2-CG1 4.19Å; F726-I730 HydrophobicContact CE1-CB 4.09Å; F726-I730 HydrophobicContact CE1-CG1 4.09Å; F726-I730 HydrophobicContact CE1-CG2 4.38Å; F726-I730 HydrophobicContact CE2-CG1 3.87Å; F726-I730 HydrophobicContact CG-CG1 4.44Å; F726-I730 HydrophobicContact CZ-CB 4.22Å; F726-I730 HydrophobicContact CZ-CG1 3.82Å; F726-I730 HydrophobicContact CZ-CG2 4.35Å; F726-I730 WeakPolarHBondContact O-CB 3.49Å; F726-I730 WeakPolarHBondContact O-CG1 3.31Å; F726-I730 PolarHBondContact O-N 2.96Å; D727-I730 PolarHBondContact O-N 2.87Å; I730-L739 HydrophobicContact CD1-CD1 3.74Å
731K96.5Very high97.8Very high130 Ų13041.9 Ų41.957%0.56519%0.192SC*.Iπ-helixtrans-80.5-36.2-174.7-177-175.8175.6-166.10112.1D727D727-K731 HydrophobicContact CB-CB 4.31Å; D727-K731 HydrophobicContact CB-CD 4.44Å; D727-K731 CarbonylContact O-C 3.6Å; D727-K731 WeakPolarHBondContact O-CA 3.48Å; D727-K731 VanDerWaalsContact O-CB 3.29Å; D727-K731 WeakPolarHBondContact O-CB 3.44Å; D727-K731 PolarHBondContact O-N 3.19Å; D727-K731 IonicContact OD2-NZ 3.81Å
732Y96.6Very high97.8Very high147 Ų14741.1 Ų41.158%0.57619%0.188SC*.SBendtrans-102.614.4179.6-51.3-50.6000113.3D727 S728 D734D727-Y732 HydrophobicContact CB-CD2 4.34Å; D727-Y732 HydrophobicContact CB-CE2 3.94Å; D727-Y732 WeakPolarHBondContact O-CD2 3.31Å; D727-Y732 PolarHBondContact O-N 3.31Å; S728-Y732 CarbonylContact O-C 3.57Å; Y732-D734 PolarHBondContact O-N 3.27Å
733N97.1Very high97.8Very high64 Ų6443.2 Ų43.234%0.34221%0.206SC..  trans62.133.7167.9-158.244.9000116.2Y691 S692 S693 E735Y691-N733 WeakPolarHBondContact CE1-O 3.47Å; Y691-N733 PolarHBondContact O-ND2 2.69Å; Y691-N733 PolarHBondContact O-OD1 3.26Å; S692-N733 WeakPolarHBondContact CA-OD1 3.43Å; S693-N733 PolarHBondContact N-OD1 3.39Å; S693-N733 WeakPolarHBondContact OG-CA 3.26Å; S693-N733 PolarHBondContact OG-OD1 3.11Å; N733-E735 PolarHBondContact O-N 3.35Å
734D97.2Very high97.8Very high4 Ų441.9 Ų41.92%0.02120%0.202CC..  trans46.771.6167.2175.730.8000113.8Y691 S728 L729 Y732 F736 F737 V738 L739Y691-D734 HydrophobicContact CE1-CB 3.97Å; Y691-D734 WeakPolarHBondContact CE1-O 3.32Å; Y691-D734 PolarHBondContact OH-OD2 3.01Å; S728-D734 PolarHBondContact O-N 3.01Å; S728-D734 VanDerWaalsContact O-N 3.07Å; L729-D734 HydrophobicContact CD2-CB 4.17Å; L729-D734 WeakPolarHBondContact O-CB 3.07Å; L729-D734 PolarHBondContact O-N 3.5Å; Y732-D734 PolarHBondContact O-N 3.27Å; D734-F736 PolarHBondContact O-N 3.08Å; D734-F737 PolarHBondContact O-N 2.84Å; D734-F737 PolarHBondContact OD1-N 3.4Å; D734-F737 VanDerWaalsContact OD2-CA 3.32Å; D734-F737 WeakPolarHBondContact OD2-CA 3.49Å; D734-V738 VanDerWaalsContact OD1-CB 3.32Å; D734-V738 WeakPolarHBondContact OD1-CB 3.06Å; D734-V738 WeakPolarHBondContact OD1-CG2 3.48Å; D734-V738 PolarHBondContact OD1-N 2.87Å; D734-V738 PolarHBondContact OD2-N 3.35Å; D734-L739 PolarHBondContact OD2-N 3.05Å
735E94.9Very high97.8Very high132 Ų13238.7 Ų38.762%0.61719%0.186SC*.THydrogen-bonded Turntrans-49.2-29.7-176-174.9-177.5-178.600114.1N733N733-E735 PolarHBondContact O-N 3.35Å
736F96.5Very high97.8Very high22 Ų2239.1 Ų39.110%0.09619%0.19CC..THydrogen-bonded Turntrans-107.718.9-174.1-59.6-74.6000114.5A536 R539 L632 D734 V738A536-F736 HydrophobicContact CB-CD2 3.45Å; A536-F736 VanDerWaalsContact CB-CD2 3.45Å; A536-F736 HydrophobicContact CB-CE2 3.26Å; A536-F736 HydrophobicContact CB-CG 4.4Å; A536-F736 HydrophobicContact CB-CZ 4.08Å; R539-F736 WeakPolarHBondContact CD-O 3.18Å; L632-F736 HydrophobicContact CD2-CD1 4.28Å; D734-F736 PolarHBondContact O-N 3.08Å; F736-V738 HydrophobicContact CB-CG2 4.48Å; F736-V738 PolarHBondContact O-N 3.16Å; F736-V738 VanDerWaalsContact O-N 3.11Å
737F98.1Very high97.7Very high7 Ų742.6 Ų42.63%0.03121%0.209CC..  trans52.535.1175.1-63-86.3000113L632 L677 V682 Y685 Y686 Y691 D734 R740 D741L632-F737 HydrophobicContact CD1-CB 3.97Å; L632-F737 HydrophobicContact CD1-CD2 3.85Å; L632-F737 HydrophobicContact CD1-CG 4.32Å; L632-F737 HydrophobicContact CD2-CD2 3.75Å; L632-F737 HydrophobicContact CD2-CE2 4.34Å; L632-F737 HydrophobicContact CG-CD2 4.46Å; L677-F737 HydrophobicContact CD1-CB 4.16Å; L677-F737 HydrophobicContact CD1-CD1 3.88Å; L677-F737 HydrophobicContact CD1-CD2 4.49Å; L677-F737 HydrophobicContact CD1-CE1 4.38Å; L677-F737 HydrophobicContact CD1-CG 3.94Å; V682-F737 HydrophobicContact CG1-CE2 4.23Å; Y685-F737 HydrophobicContact CD1-CE1 4.23Å; Y685-F737 AromaticContact CD2-CE1 3.89Å; Y685-F737 HydrophobicContact CD2-CE1 3.89Å; Y685-F737 HydrophobicContact CD2-CZ 4.37Å; Y685-F737 AromaticContact CG-CE1 3.66Å; Y685-F737 HydrophobicContact CG-CE1 3.66Å; Y685-F737 HydrophobicContact CG-CZ 4.07Å; Y686-F737 HydrophobicContact CD1-CE2 4.31Å; Y686-F737 HydrophobicContact CD1-CZ 4.3Å; Y686-F737 AromaticContact CE1-CE2 3.55Å; Y686-F737 HydrophobicContact CE1-CE2 3.55Å; Y686-F737 AromaticContact CE1-CZ 3.98Å; Y686-F737 HydrophobicContact CE1-CZ 3.98Å; Y686-F737 AromaticContact CZ-CE2 3.98Å; Y691-F737 AromaticContact CD1-CD1 3.75Å; Y691-F737 HydrophobicContact CD1-CD1 3.75Å; Y691-F737 AromaticContact CD1-CE1 3.58Å; Y691-F737 HydrophobicContact CD1-CE1 3.58Å; Y691-F737 HydrophobicContact CD1-CZ 4.41Å; Y691-F737 HydrophobicContact CD2-CD1 4.09Å; Y691-F737 HydrophobicContact CD2-CE1 4.1Å; Y691-F737 AromaticContact CE1-CD1 3.79Å; Y691-F737 HydrophobicContact CE1-CD1 3.79Å; Y691-F737 HydrophobicContact CE1-CE1 4.12Å; Y691-F737 HydrophobicContact CE1-CG 4.49Å; Y691-F737 HydrophobicContact CE2-CD1 4.17Å; Y691-F737 AromaticContact CG-CD1 3.9Å; Y691-F737 HydrophobicContact CG-CD1 3.9Å; Y691-F737 AromaticContact CG-CE1 3.56Å; Y691-F737 HydrophobicContact CG-CE1 3.56Å; D734-F737 PolarHBondContact O-N 2.84Å; D734-F737 PolarHBondContact OD1-N 3.4Å; D734-F737 VanDerWaalsContact OD2-CA 3.32Å; D734-F737 WeakPolarHBondContact OD2-CA 3.49Å; F737-R740 HydrophobicContact CB-CB 3.99Å; F737-R740 HydrophobicContact CD1-CB 4.05Å; F737-R740 HydrophobicContact CD1-CG 4.32Å; F737-R740 PolarHBondContact O-N 3.21Å; F737-D741 PolarHBondContact O-N 3.31Å
738V98.6Very high97.7Very high5 Ų541.3 Ų41.33%0.0320%0.203CC..Hα-helixtrans-59.2-48.1176.7175.70000110.6R539 L541 L542 L545 L729 D734 F736 F742R539-V738 HydrophobicContact CG-CG2 4.36Å; L541-V738 HydrophobicContact CG-CG1 4.36Å; L542-V738 HydrophobicContact CB-CG1 4.1Å; L542-V738 HydrophobicContact CD1-CG1 4.36Å; L545-V738 HydrophobicContact CD1-CG1 3.71Å; L729-V738 HydrophobicContact CD2-CB 3.88Å; L729-V738 HydrophobicContact CD2-CG1 4.12Å; L729-V738 HydrophobicContact CD2-CG2 4.39Å; D734-V738 VanDerWaalsContact OD1-CB 3.32Å; D734-V738 WeakPolarHBondContact OD1-CB 3.06Å; D734-V738 WeakPolarHBondContact OD1-CG2 3.48Å; D734-V738 PolarHBondContact OD1-N 2.87Å; D734-V738 PolarHBondContact OD2-N 3.35Å; F736-V738 HydrophobicContact CB-CG2 4.48Å; F736-V738 PolarHBondContact O-N 3.16Å; F736-V738 VanDerWaalsContact O-N 3.11Å; V738-F742 PolarHBondContact O-N 3.4Å
739L98.6Very high97.8Very high4 Ų440 Ų402%0.02119%0.194CC..Hα-helixtrans-73.8-32.1-179.6-58.7-165.3000111.8L545 I696 V703 V707 L729 I730 D734 F742L545-L739 HydrophobicContact CD1-CD2 3.87Å; I696-L739 HydrophobicContact CG2-CB 4.33Å; V703-L739 HydrophobicContact CG1-CD1 4.06Å; V703-L739 HydrophobicContact CG1-CD2 4.05Å; V703-L739 HydrophobicContact CG1-CG 4.46Å; V707-L739 HydrophobicContact CG2-CD1 4.43Å; V707-L739 HydrophobicContact CG2-CD2 3.7Å; L729-L739 HydrophobicContact CB-CD1 4.4Å; L729-L739 HydrophobicContact CD1-CD2 4.25Å; L729-L739 HydrophobicContact CD2-CD2 4.28Å; L729-L739 HydrophobicContact CD2-CG 4.25Å; I730-L739 HydrophobicContact CD1-CD1 3.74Å; D734-L739 PolarHBondContact OD2-N 3.05Å; L739-F742 WeakPolarHBondContact O-CB 3.11Å; L739-F742 PolarHBondContact O-N 2.78Å
740R98Very high97.7Very high71 Ų7144.7 Ų44.727%0.26822%0.216SC..Hα-helixtrans-65-43.8177.3179.656.8-16985.72.6112.7L677 Y685 Y691 I696 F737 F742 D744L677-R740 HydrophobicContact CD1-CG 3.98Å; L677-R740 HydrophobicContact CD2-CG 4.18Å; L677-R740 HydrophobicContact CG-CG 4.2Å; Y685-R740 PolarHBondContact OH-NE 3.46Å; Y685-R740 VanDerWaalsContact OH-NE 3.16Å; Y691-R740 HydrophobicContact CD2-CB 4.48Å; Y691-R740 HydrophobicContact CE2-CB 3.68Å; Y691-R740 HydrophobicContact CE2-CG 4.4Å; Y691-R740 PolarHBondContact OH-N 3.25Å; I696-R740 HydrophobicContact CD1-CB 4.31Å; F737-R740 HydrophobicContact CB-CB 3.99Å; F737-R740 HydrophobicContact CD1-CB 4.05Å; F737-R740 HydrophobicContact CD1-CG 4.32Å; F737-R740 PolarHBondContact O-N 3.21Å; R740-F742 VanDerWaalsContact C-N 3.31Å; R740-D744 IonicContact NH1-OD2 2.65Å
741D98.4Very high97.6Very high0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-83.6-5.9-179.5-86.4-2000113.3R539 L542 F675 G676 L677 F737 A743 D744 Y745R539-D741 IonicContact CZ-OD2 2.62Å; R539-D741 VanDerWaalsContact CZ-OD2 3.31Å; R539-D741 IonicContact NH1-OD2 2.72Å; R539-D741 PolarHBondContact NH1-OD2 2.83Å; R539-D741 IonicContact NH2-OD2 3.81Å; R539-D741 PolarHBondContact NH2-OD2 3.5Å; L542-D741 HydrophobicContact CD2-CB 4.44Å; F675-D741 HydrophobicContact CE2-CB 4.3Å; G676-D741 VanDerWaalsContact CA-CG 3.5Å; G676-D741 WeakPolarHBondContact CA-OD1 3.34Å; L677-D741 WeakPolarHBondContact CG-OD1 3.48Å; L677-D741 PolarHBondContact N-OD1 3.4Å; F737-D741 PolarHBondContact O-N 3.31Å; D741-A743 PolarHBondContact O-N 2.93Å; D741-D744 PolarHBondContact O-N 3.33Å; D741-Y745 VanDerWaalsContact O-CB 3.3Å; D741-Y745 WeakPolarHBondContact O-CB 3.47Å; D741-Y745 PolarHBondContact O-N 3.33Å
742F98.7Very high97.6Very high4 Ų439.9 Ų39.92%0.01820%0.201CC..Hα-helixtrans-58.9-45.9-171.3-177.6-106.1000113.8L542 L545 H546 K549 V702 V703 V706 V738 L739 R740 Y745 C746L542-F742 HydrophobicContact CD1-CB 4.33Å; L542-F742 HydrophobicContact CD1-CD2 3.97Å; L545-F742 HydrophobicContact CB-CD2 4.03Å; L545-F742 HydrophobicContact CB-CE2 3.62Å; H546-F742 HydrophobicContact CB-CE2 4.4Å; K549-F742 HydrophobicContact CB-CZ 4.01Å; K549-F742 HydrophobicContact CG-CZ 4.24Å; V702-F742 HydrophobicContact CG1-CE1 4.08Å; V703-F742 HydrophobicContact CG2-CD1 3.66Å; V703-F742 HydrophobicContact CG2-CE1 4.27Å; V703-F742 HydrophobicContact CG2-CG 4.46Å; V706-F742 HydrophobicContact CG1-CZ 4.29Å; V706-F742 HydrophobicContact CG2-CZ 4.28Å; V738-F742 PolarHBondContact O-N 3.4Å; L739-F742 WeakPolarHBondContact O-CB 3.11Å; L739-F742 PolarHBondContact O-N 2.78Å; R740-F742 VanDerWaalsContact C-N 3.31Å; F742-Y745 PolarHBondContact O-N 3.19Å; F742-C746 PolarHBondContact O-N 3.23Å; F742-C746 PolarHBondContact O-SG 3.13Å
743A97.9Very high97.5Very high45 Ų4533.8 Ų33.837%0.37218%0.179SC..Hα-helixtrans-65.7-45.3179.800000111.8D741 Y745 C746 L747D741-A743 PolarHBondContact O-N 2.93Å; A743-Y745 VanDerWaalsContact C-N 3.32Å; A743-Y745 PolarHBondContact O-N 2.96Å; A743-C746 WeakPolarHBondContact O-CB 3.3Å; A743-C746 PolarHBondContact O-N 2.76Å; A743-L747 WeakPolarHBondContact O-CG 3.3Å; A743-L747 PolarHBondContact O-N 3.2Å
744D98.2Very high97.4Very high53 Ų5336 Ų3628%0.28319%0.187SC..Hα-helixtrans-63.9-39.5178.7-62.6-31.2000111F675 R740 D741 L747 A748F675-D744 HydrophobicContact CB-CB 4.28Å; F675-D744 HydrophobicContact CD2-CB 4.32Å; R740-D744 IonicContact NH1-OD2 2.65Å; D741-D744 PolarHBondContact O-N 3.33Å; D744-L747 PolarHBondContact O-N 3.03Å; D744-A748 PolarHBondContact O-N 3.19Å
745Y98.7Very high97.4Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-62.3-45.3173.6-178.8-127.2000112.1L542 N543 H546 E628 I630 I653 F675 D741 F742 A743 L747 A748 Q749L542-Y745 HydrophobicContact CD1-CD1 3.71Å; L542-Y745 HydrophobicContact CD1-CE1 4.45Å; L542-Y745 HydrophobicContact CD1-CG 4.19Å; L542-Y745 HydrophobicContact CD2-CD1 4.26Å; L542-Y745 HydrophobicContact CD2-CG 4.15Å; L542-Y745 HydrophobicContact CG-CD1 3.65Å; L542-Y745 HydrophobicContact CG-CE1 4.03Å; L542-Y745 HydrophobicContact CG-CG 4.05Å; N543-Y745 PolarHBondContact OD1-OH 2.88Å; H546-Y745 HydrophobicContact CB-CD1 3.86Å; H546-Y745 HydrophobicContact CB-CE1 3.42Å; H546-Y745 VanDerWaalsContact CB-CE1 3.42Å; H546-Y745 AromaticContact CG-CE1 3.88Å; E628-Y745 VanDerWaalsContact CD-OH 3.29Å; E628-Y745 PolarHBondContact OE1-OH 3.29Å; E628-Y745 PolarHBondContact OE2-OH 2.95Å; E628-Y745 VanDerWaalsContact OE2-OH 3.06Å; I630-Y745 HydrophobicContact CD1-CE2 4.4Å; I630-Y745 HydrophobicContact CG2-CD2 4.37Å; I630-Y745 HydrophobicContact CG2-CE2 3.86Å; I653-Y745 HydrophobicContact CD1-CD2 3.81Å; I653-Y745 HydrophobicContact CD1-CE2 3.59Å; I653-Y745 HydrophobicContact CG1-CD2 4.43Å; I653-Y745 HydrophobicContact CG1-CE2 4.23Å; F675-Y745 HydrophobicContact CD1-CD2 4.2Å; F675-Y745 VanDerWaalsContact CD2-CA 3.45Å; F675-Y745 HydrophobicContact CD2-CD2 4.25Å; F675-Y745 HydrophobicContact CD2-CG 4.44Å; F675-Y745 AromaticContact CE1-CD2 3.65Å; F675-Y745 HydrophobicContact CE1-CD2 3.65Å; F675-Y745 HydrophobicContact CE1-CE2 4.26Å; F675-Y745 VanDerWaalsContact CE2-CB 3.47Å; F675-Y745 AromaticContact CE2-CD2 3.72Å; F675-Y745 HydrophobicContact CE2-CD2 3.72Å; F675-Y745 AromaticContact CE2-CG 3.93Å; F675-Y745 HydrophobicContact CE2-CG 3.93Å; F675-Y745 HydrophobicContact CG-CD2 4.48Å; F675-Y745 AromaticContact CZ-CD2 3.37Å; F675-Y745 HydrophobicContact CZ-CD2 3.37Å; F675-Y745 HydrophobicContact CZ-CE2 4.14Å; F675-Y745 HydrophobicContact CZ-CG 4.02Å; D741-Y745 VanDerWaalsContact O-CB 3.3Å; D741-Y745 WeakPolarHBondContact O-CB 3.47Å; D741-Y745 PolarHBondContact O-N 3.33Å; F742-Y745 PolarHBondContact O-N 3.19Å; A743-Y745 VanDerWaalsContact C-N 3.32Å; A743-Y745 PolarHBondContact O-N 2.96Å; Y745-L747 VanDerWaalsContact C-N 3.29Å; Y745-L747 PolarHBondContact O-N 3.05Å; Y745-A748 PolarHBondContact O-N 3.42Å; Y745-Q749 HydrophobicContact CD2-CG 4.18Å; Y745-Q749 HydrophobicContact CE1-CG 4.33Å; Y745-Q749 HydrophobicContact CE2-CG 3.85Å; Y745-Q749 VanDerWaalsContact CZ-NE2 3.34Å; Y745-Q749 WeakPolarHBondContact O-CB 3.28Å; Y745-Q749 VanDerWaalsContact O-CG 3.29Å; Y745-Q749 WeakPolarHBondContact O-CG 3.43Å; Y745-Q749 PolarHBondContact O-N 3.3Å; Y745-Q749 PolarHBondContact OH-NE2 3.04Å
746C98.2Very high97.5Very high10 Ų1031.4 Ų31.47%0.06817%0.169CC..Hα-helixtrans-60.1-37.8176-710000112.2F742 A743 Q749 Q750F742-C746 PolarHBondContact O-N 3.23Å; F742-C746 PolarHBondContact O-SG 3.13Å; A743-C746 WeakPolarHBondContact O-CB 3.3Å; A743-C746 PolarHBondContact O-N 2.76Å; C746-Q749 PolarHBondContact O-N 2.74Å; C746-Q750 VanDerWaalsContact O-CG 3.29Å; C746-Q750 WeakPolarHBondContact O-CG 3.31Å; C746-Q750 PolarHBondContact O-N 3.27Å
747L97.8Very high97.4Very high102 Ų10234 Ų3453%0.53418%0.18SC..Hα-helixtrans-68.3-43.8176.3-70.2172.6000112A743 D744 Y745 Q749 Q750 S751A743-L747 WeakPolarHBondContact O-CG 3.3Å; A743-L747 PolarHBondContact O-N 3.2Å; D744-L747 PolarHBondContact O-N 3.03Å; Y745-L747 VanDerWaalsContact C-N 3.29Å; Y745-L747 PolarHBondContact O-N 3.05Å; L747-Q749 VanDerWaalsContact C-N 3.28Å; L747-Q749 PolarHBondContact O-N 3.37Å; L747-Q750 WeakPolarHBondContact O-CB 3.44Å; L747-Q750 PolarHBondContact O-N 3.45Å; L747-S751 PolarHBondContact O-N 2.84Å
748A98.2Very high97.3Very high9 Ų937.9 Ų37.97%0.07420%0.201CC..Hα-helixtrans-61.1-40.1173.700000111.6I653 A673 F675 D744 Y745 Q750 S751 V752I653-A748 HydrophobicContact CD1-CB 3.68Å; I653-A748 HydrophobicContact CG1-CB 4.15Å; A673-A748 HydrophobicContact CB-CB 4.41Å; F675-A748 HydrophobicContact CB-CB 3.77Å; F675-A748 HydrophobicContact CD1-CB 4.16Å; F675-A748 HydrophobicContact CG-CB 4.16Å; D744-A748 PolarHBondContact O-N 3.19Å; Y745-A748 PolarHBondContact O-N 3.42Å; A748-Q750 VanDerWaalsContact C-N 3.34Å; A748-Q750 PolarHBondContact O-N 2.74Å; A748-S751 WeakPolarHBondContact O-CB 3.37Å; A748-S751 PolarHBondContact O-N 2.92Å; A748-S751 VanDerWaalsContact O-N 3.14Å; A748-S751 PolarHBondContact O-OG 3.2Å; A748-V752 PolarHBondContact O-N 3.15Å; A748-V752 VanDerWaalsContact O-N 3.14Å
749Q98.2Very high97.2Very high2 Ų241.6 Ų41.61%0.00922%0.217CC..Hα-helixtrans-63.5-36174.7-72.8-70.816.200113.7H546 E628 I653 Y745 C746 L747 S751 V752 D753H546-Q749 VanDerWaalsContact CE1-CB 3.48Å; H546-Q749 WeakPolarHBondContact CE1-CB 3.35Å; H546-Q749 VanDerWaalsContact CE1-CG 3.42Å; H546-Q749 WeakPolarHBondContact CE1-CG 3.45Å; H546-Q749 WeakPolarHBondContact NE2-CB 3.34Å; E628-Q749 PolarHBondContact OE1-NE2 3.16Å; I653-Q749 HydrophobicContact CD1-CG 3.71Å; Y745-Q749 HydrophobicContact CD2-CG 4.18Å; Y745-Q749 HydrophobicContact CE1-CG 4.33Å; Y745-Q749 HydrophobicContact CE2-CG 3.85Å; Y745-Q749 VanDerWaalsContact CZ-NE2 3.34Å; Y745-Q749 WeakPolarHBondContact O-CB 3.28Å; Y745-Q749 VanDerWaalsContact O-CG 3.29Å; Y745-Q749 WeakPolarHBondContact O-CG 3.43Å; Y745-Q749 PolarHBondContact O-N 3.3Å; Y745-Q749 PolarHBondContact OH-NE2 3.04Å; C746-Q749 PolarHBondContact O-N 2.74Å; L747-Q749 VanDerWaalsContact C-N 3.28Å; L747-Q749 PolarHBondContact O-N 3.37Å; Q749-S751 VanDerWaalsContact C-N 3.34Å; Q749-V752 WeakPolarHBondContact O-CB 3.35Å; Q749-V752 PolarHBondContact O-N 3.1Å; Q749-D753 PolarHBondContact O-N 3.24Å; Q749-D753 VanDerWaalsContact O-N 3.13Å
750Q96.5Very high97.2Very high97 Ų9745.8 Ų45.845%0.45323%0.233SC..Hα-helixtrans-66-36172.7-72.2167.424.200112.2C746 L747 A748 V752 D753 Q754C746-Q750 VanDerWaalsContact O-CG 3.29Å; C746-Q750 WeakPolarHBondContact O-CG 3.31Å; C746-Q750 PolarHBondContact O-N 3.27Å; L747-Q750 WeakPolarHBondContact O-CB 3.44Å; L747-Q750 PolarHBondContact O-N 3.45Å; A748-Q750 VanDerWaalsContact C-N 3.34Å; A748-Q750 PolarHBondContact O-N 2.74Å; Q750-V752 VanDerWaalsContact C-N 3.31Å; Q750-V752 PolarHBondContact O-N 2.94Å; Q750-D753 WeakPolarHBondContact O-CB 3.42Å; Q750-D753 PolarHBondContact O-N 2.86Å; Q750-Q754 WeakPolarHBondContact O-CG 3.48Å; Q750-Q754 PolarHBondContact O-N 3.04Å
751S96.2Very high97.1Very high56 Ų5645.1 Ų45.139%0.39223%0.23SC..Hα-helixtrans-64-36.717579.20000112.2L747 A748 Q749 Q754 A755L747-S751 PolarHBondContact O-N 2.84Å; A748-S751 WeakPolarHBondContact O-CB 3.37Å; A748-S751 PolarHBondContact O-N 2.92Å; A748-S751 VanDerWaalsContact O-N 3.14Å; A748-S751 PolarHBondContact O-OG 3.2Å; Q749-S751 VanDerWaalsContact C-N 3.34Å; S751-Q754 PolarHBondContact O-N 3.35Å; S751-A755 WeakPolarHBondContact O-CB 3.41Å; S751-A755 PolarHBondContact O-N 3.43Å
752V97.1Very high97.1Very high3 Ų346 Ų462%0.01823%0.233CC..Hα-helixtrans-63.7-45.5173.21710000111.1V626 A673 A748 Q749 Q750 Q754 A755 Y756 W762V626-V752 HydrophobicContact CG2-CG1 3.54Å; A673-V752 HydrophobicContact CB-CG2 4.11Å; A748-V752 PolarHBondContact O-N 3.15Å; A748-V752 VanDerWaalsContact O-N 3.14Å; Q749-V752 WeakPolarHBondContact O-CB 3.35Å; Q749-V752 PolarHBondContact O-N 3.1Å; Q750-V752 VanDerWaalsContact C-N 3.31Å; Q750-V752 PolarHBondContact O-N 2.94Å; V752-Q754 VanDerWaalsContact C-N 3.35Å; V752-Q754 PolarHBondContact O-N 2.84Å; V752-A755 PolarHBondContact O-N 3.45Å; V752-Y756 WeakPolarHBondContact O-CB 3.43Å; V752-Y756 PolarHBondContact O-N 2.87Å; V752-W762 HydrophobicContact CG1-CH2 4.09Å; V752-W762 HydrophobicContact CG1-CZ3 4.13Å
753D95.3Very high97.1Very high20 Ų2049.2 Ų49.211%0.10725%0.245CC..Hα-helixtrans-57.9-44.8174.3-178.487.2000111.7E563 Q749 Q750 Y756 K757E563-D753 WeakPolarHBondContact CB-OD1 3.45Å; E563-D753 PolarHBondContact N-OD1 3.36Å; Q749-D753 PolarHBondContact O-N 3.24Å; Q749-D753 VanDerWaalsContact O-N 3.13Å; Q750-D753 WeakPolarHBondContact O-CB 3.42Å; Q750-D753 PolarHBondContact O-N 2.86Å; D753-Y756 PolarHBondContact O-N 2.81Å; D753-K757 WeakPolarHBondContact O-CG 3.5Å; D753-K757 PolarHBondContact O-N 2.97Å; D753-K757 WeakPolarHBondContact OD2-CE 3.42Å; D753-K757 IonicContact OD2-NZ 3.51Å; D753-K757 PolarHBondContact OD2-NZ 3.32Å
754Q95.1Very high97.1Very high111 Ų11148 Ų4852%0.51923%0.232SC..Hα-helixtrans-65.6-44.4176.3-64.4-36.9-59.200112.6Q750 S751 V752 Y756 K757Q750-Q754 WeakPolarHBondContact O-CG 3.48Å; Q750-Q754 PolarHBondContact O-N 3.04Å; S751-Q754 PolarHBondContact O-N 3.35Å; V752-Q754 VanDerWaalsContact C-N 3.35Å; V752-Q754 PolarHBondContact O-N 2.84Å; Q754-Y756 VanDerWaalsContact C-N 3.27Å; Q754-Y756 PolarHBondContact O-N 3.33Å; Q754-K757 WeakPolarHBondContact O-CB 3.38Å; Q754-K757 PolarHBondContact O-N 2.79Å
755A95.7Very high97.1Very high24 Ų2445.9 Ų45.920%0.19822%0.221CC..Hα-helixtrans-63.6-35.2178.600000111.6S751 V752 K757 D758 W762 I765S751-A755 WeakPolarHBondContact O-CB 3.41Å; S751-A755 PolarHBondContact O-N 3.43Å; V752-A755 PolarHBondContact O-N 3.45Å; A755-K757 VanDerWaalsContact C-N 3.31Å; A755-K757 PolarHBondContact O-N 3.07Å; A755-D758 CarbonylContact O-C 3.53Å; A755-D758 PolarHBondContact O-N 3.42Å; A755-D758 VanDerWaalsContact O-O 3.05Å; A755-W762 HydrophobicContact CB-CE3 4Å; A755-W762 HydrophobicContact CB-CZ3 4.25Å; A755-I765 HydrophobicContact CB-CD1 4.46Å
756Y96.8Very high97.1Very high15 Ų1546.5 Ų46.56%0.05923%0.225CC..Hα-helixtrans-70.9-25178.3-159.3-102.7000113.2K506 I526 E563 D625 V752 D753 Q754 K759 W762K506-Y756 PolarHBondContact NZ-OH 3.41Å; I526-Y756 HydrophobicContact CD1-CD1 3.76Å; I526-Y756 HydrophobicContact CD1-CD2 4.15Å; I526-Y756 HydrophobicContact CD1-CE1 4.39Å; I526-Y756 HydrophobicContact CD1-CG 3.63Å; I526-Y756 HydrophobicContact CG1-CD1 3.42Å; I526-Y756 VanDerWaalsContact CG1-CD1 3.42Å; I526-Y756 HydrophobicContact CG1-CD2 3.75Å; I526-Y756 HydrophobicContact CG1-CE1 3.55Å; I526-Y756 HydrophobicContact CG1-CE2 3.88Å; I526-Y756 HydrophobicContact CG1-CG 3.54Å; E563-Y756 HydrophobicContact CB-CD1 4.31Å; E563-Y756 HydrophobicContact CG-CD1 4.04Å; D625-Y756 HydrophobicContact CB-CE2 4.42Å; V752-Y756 WeakPolarHBondContact O-CB 3.43Å; V752-Y756 PolarHBondContact O-N 2.87Å; D753-Y756 PolarHBondContact O-N 2.81Å; Q754-Y756 VanDerWaalsContact C-N 3.27Å; Q754-Y756 PolarHBondContact O-N 3.33Å; Y756-K759 VanDerWaalsContact O-CD 3.32Å; Y756-K759 WeakPolarHBondContact O-CD 3.42Å; Y756-K759 VanDerWaalsContact O-CE 3.32Å; Y756-K759 WeakPolarHBondContact O-CE 3.45Å; Y756-K759 PolarHBondContact O-NZ 3.06Å; Y756-W762 AromaticContact CD2-CD2 3.56Å; Y756-W762 HydrophobicContact CD2-CD2 3.56Å; Y756-W762 AromaticContact CD2-CE2 3.46Å; Y756-W762 VanDerWaalsContact CD2-CE2 3.46Å; Y756-W762 AromaticContact CD2-CE3 3.95Å; Y756-W762 HydrophobicContact CD2-CE3 3.95Å; Y756-W762 AromaticContact CD2-CG 3.99Å; Y756-W762 HydrophobicContact CD2-CG 3.99Å; Y756-W762 HydrophobicContact CD2-CH2 4.13Å; Y756-W762 AromaticContact CD2-CZ2 3.78Å; Y756-W762 HydrophobicContact CD2-CZ2 3.78Å; Y756-W762 HydrophobicContact CD2-CZ3 4.21Å; Y756-W762 AromaticContact CD2-NE1 3.79Å; Y756-W762 HydrophobicContact CE2-CD2 4.22Å; Y756-W762 AromaticContact CE2-CE2 3.75Å; Y756-W762 HydrophobicContact CE2-CG 4.42Å; Y756-W762 HydrophobicContact CE2-CZ2 4.11Å; Y756-W762 AromaticContact CE2-NE1 3.64Å
757K95.9Very high97.1Very high77 Ų7746 Ų4634%0.33522%0.222SC..Hα-helixtrans-67.9-38.1173.7-74.5167176162.10111.7P561 E563 D753 Q754 A755 K759P561-K757 PolarHBondContact O-NZ 2.76Å; E563-K757 HydrophobicContact CG-CG 3.92Å; E563-K757 WeakPolarHBondContact OE1-CG 3.38Å; D753-K757 WeakPolarHBondContact O-CG 3.5Å; D753-K757 PolarHBondContact O-N 2.97Å; D753-K757 WeakPolarHBondContact OD2-CE 3.42Å; D753-K757 IonicContact OD2-NZ 3.51Å; D753-K757 PolarHBondContact OD2-NZ 3.32Å; Q754-K757 WeakPolarHBondContact O-CB 3.38Å; Q754-K757 PolarHBondContact O-N 2.79Å; A755-K757 VanDerWaalsContact C-N 3.31Å; A755-K757 PolarHBondContact O-N 3.07Å; K757-K759 PolarHBondContact O-N 3.36Å
758D96.2Very high97.1Very high88 Ų8843.6 Ų43.647%0.47121%0.206SC..SBendtrans-82.688169.7-174.1-17000110.6A755 R760 R761 W762A755-D758 CarbonylContact O-C 3.53Å; A755-D758 PolarHBondContact O-N 3.42Å; A755-D758 VanDerWaalsContact O-O 3.05Å; D758-R760 PolarHBondContact O-N 3.14Å; D758-R760 PolarHBondContact OD1-N 3.45Å; D758-R761 HydrophobicContact CB-CB 3.85Å; D758-R761 PolarHBondContact O-N 2.96Å; D758-R761 PolarHBondContact OD1-N 2.87Å; D758-R761 WeakPolarHBondContact OD2-CB 3.33Å; D758-W762 PolarHBondContact O-N 3.03Å
759K96Very high97.1Very high83 Ų8343.2 Ų43.236%0.36120%0.202SC..Hα-helixtrans-59-33.6-176.9-59.2-60.3176.4-1580113E563 Y756 K757 R763E563-K759 IonicContact OE2-NZ 3.04Å; Y756-K759 VanDerWaalsContact O-CD 3.32Å; Y756-K759 WeakPolarHBondContact O-CD 3.42Å; Y756-K759 VanDerWaalsContact O-CE 3.32Å; Y756-K759 WeakPolarHBondContact O-CE 3.45Å; Y756-K759 PolarHBondContact O-NZ 3.06Å; K757-K759 PolarHBondContact O-N 3.36Å; K759-R763 VanDerWaalsContact O-CD 3.25Å; K759-R763 WeakPolarHBondContact O-CD 3.41Å; K759-R763 WeakPolarHBondContact O-CG 3.39Å; K759-R763 PolarHBondContact O-N 3.38Å
760R97.5Very high97.2Very high92 Ų9243.1 Ų43.135%0.34720%0.202SC..Hα-helixtrans-69.7-49.8178.4-174.4-179.9175.3123.1-3.6109.4E490 D492 L495 D758 W762 R763 Q764E490-R760 PolarHBondContact O-NH2 3.01Å; E490-R760 IonicContact OE2-CZ 3.68Å; E490-R760 IonicContact OE2-NE 3.64Å; E490-R760 IonicContact OE2-NH2 3.6Å; E490-R760 PolarHBondContact OE2-NH2 2.67Å; D492-R760 IonicContact OD1-CZ 2.59Å; D492-R760 IonicContact OD1-NE 3.04Å; D492-R760 IonicContact OD1-NH1 2.81Å; D492-R760 PolarHBondContact OD1-NH1 3.13Å; D492-R760 IonicContact OD2-CZ 3.54Å; D492-R760 IonicContact OD2-NH1 2.8Å; D492-R760 PolarHBondContact OD2-NH1 3.47Å; L495-R760 HydrophobicContact CD1-CG 4.42Å; D758-R760 PolarHBondContact O-N 3.14Å; D758-R760 PolarHBondContact OD1-N 3.45Å; R760-W762 VanDerWaalsContact C-N 3.34Å; R760-W762 PolarHBondContact O-N 3.12Å; R760-R763 PolarHBondContact O-N 3.37Å; R760-Q764 WeakPolarHBondContact O-CG 3.42Å; R760-Q764 PolarHBondContact O-N 3.46Å
761R96.8Very high97.2Very high56 Ų5638.5 Ų38.521%0.21118%0.18CC..Hα-helixtrans-57.7-44.6176.9178.965-171.3130.47.1112.1D670 N671 D758 R763 Q764 I765 R768D670-R761 PolarHBondContact O-NH2 2.92Å; N671-R761 PolarHBondContact OD1-NH1 3.21Å; N671-R761 PolarHBondContact OD1-NH2 2.73Å; D758-R761 HydrophobicContact CB-CB 3.85Å; D758-R761 PolarHBondContact O-N 2.96Å; D758-R761 PolarHBondContact OD1-N 2.87Å; D758-R761 WeakPolarHBondContact OD2-CB 3.33Å; R761-R763 VanDerWaalsContact C-N 3.33Å; R761-R763 PolarHBondContact O-N 2.95Å; R761-Q764 WeakPolarHBondContact O-CB 3.46Å; R761-Q764 PolarHBondContact O-N 3.11Å; R761-I765 HydrophobicContact CG-CD1 4.11Å; R761-I765 WeakPolarHBondContact O-CG1 3.26Å; R761-I765 PolarHBondContact O-N 3.46Å; R761-R768 VanDerWaalsContact NH1-NH1 3.13Å
762W98.1Very high97.3Very high18 Ų1836.5 Ų36.57%0.06817%0.165CC..Hα-helixtrans-57.3-44.7177.6-175-98.6000112.6D625 V626 V651 V752 A755 Y756 D758 R760 Q764 I765 S766D625-W762 HydrophobicContact CB-CZ2 3.97Å; D625-W762 WeakPolarHBondContact O-CZ2 3.2Å; V626-W762 HydrophobicContact CG2-CH2 3.93Å; V626-W762 HydrophobicContact CG2-CZ2 4.47Å; V651-W762 HydrophobicContact CB-CH2 3.62Å; V651-W762 HydrophobicContact CB-CZ2 4.11Å; V651-W762 HydrophobicContact CB-CZ3 4.09Å; V651-W762 HydrophobicContact CG1-CH2 4.4Å; V651-W762 HydrophobicContact CG1-CZ3 4.46Å; V651-W762 HydrophobicContact CG2-CD2 4.25Å; V651-W762 HydrophobicContact CG2-CE3 4.09Å; V651-W762 HydrophobicContact CG2-CH2 3.36Å; V651-W762 HydrophobicContact CG2-CZ2 3.51Å; V651-W762 HydrophobicContact CG2-CZ3 3.67Å; V752-W762 HydrophobicContact CG1-CH2 4.09Å; V752-W762 HydrophobicContact CG1-CZ3 4.13Å; A755-W762 HydrophobicContact CB-CE3 4Å; A755-W762 HydrophobicContact CB-CZ3 4.25Å; Y756-W762 AromaticContact CD2-CD2 3.56Å; Y756-W762 HydrophobicContact CD2-CD2 3.56Å; Y756-W762 AromaticContact CD2-CE2 3.46Å; Y756-W762 VanDerWaalsContact CD2-CE2 3.46Å; Y756-W762 AromaticContact CD2-CE3 3.95Å; Y756-W762 HydrophobicContact CD2-CE3 3.95Å; Y756-W762 AromaticContact CD2-CG 3.99Å; Y756-W762 HydrophobicContact CD2-CG 3.99Å; Y756-W762 HydrophobicContact CD2-CH2 4.13Å; Y756-W762 AromaticContact CD2-CZ2 3.78Å; Y756-W762 HydrophobicContact CD2-CZ2 3.78Å; Y756-W762 HydrophobicContact CD2-CZ3 4.21Å; Y756-W762 AromaticContact CD2-NE1 3.79Å; Y756-W762 HydrophobicContact CE2-CD2 4.22Å; Y756-W762 AromaticContact CE2-CE2 3.75Å; Y756-W762 HydrophobicContact CE2-CG 4.42Å; Y756-W762 HydrophobicContact CE2-CZ2 4.11Å; Y756-W762 AromaticContact CE2-NE1 3.64Å; D758-W762 PolarHBondContact O-N 3.03Å; R760-W762 VanDerWaalsContact C-N 3.34Å; R760-W762 PolarHBondContact O-N 3.12Å; W762-Q764 VanDerWaalsContact C-N 3.34Å; W762-Q764 PolarHBondContact O-N 3.48Å; W762-I765 PolarHBondContact O-N 2.94Å; W762-S766 WeakPolarHBondContact O-CB 3.32Å; W762-S766 PolarHBondContact O-N 3.32Å
763R98.1Very high97.4Very high73 Ų7336.4 Ų36.428%0.27517%0.165SC..Hα-helixtrans-65.8-37.3178.3-68.6164.5-177.9178.3-11.4112L495 N496 A499 K759 R760 R761 S766 L767L495-R763 HydrophobicContact CB-CB 4.08Å; L495-R763 HydrophobicContact CD2-CB 3.94Å; L495-R763 HydrophobicContact CG-CB 4.48Å; N496-R763 VanDerWaalsContact OD1-CZ 3.29Å; N496-R763 PolarHBondContact OD1-NH1 2.99Å; N496-R763 PolarHBondContact OD1-NH2 3.06Å; A499-R763 HydrophobicContact CB-CG 4.07Å; K759-R763 VanDerWaalsContact O-CD 3.25Å; K759-R763 WeakPolarHBondContact O-CD 3.41Å; K759-R763 WeakPolarHBondContact O-CG 3.39Å; K759-R763 PolarHBondContact O-N 3.38Å; R760-R763 PolarHBondContact O-N 3.37Å; R761-R763 VanDerWaalsContact C-N 3.33Å; R761-R763 PolarHBondContact O-N 2.95Å; R763-S766 WeakPolarHBondContact O-CB 3.18Å; R763-S766 PolarHBondContact O-N 3.42Å; R763-L767 WeakPolarHBondContact O-CB 3.38Å; R763-L767 PolarHBondContact O-N 3.39Å
764Q98.3Very high97.5Very high20 Ų2035.5 Ų35.59%0.09316%0.16CC..Hα-helixtrans-64-42.8174.1-68.2180-39.200111.9E489 E490 L495 R760 R761 W762 S766 L767 R768E489-Q764 WeakPolarHBondContact O-CG 3.38Å; E489-Q764 PolarHBondContact O-NE2 2.77Å; E490-Q764 VanDerWaalsContact CD-NE2 3.35Å; E490-Q764 PolarHBondContact OE1-NE2 2.8Å; E490-Q764 PolarHBondContact OE2-NE2 3.35Å; L495-Q764 HydrophobicContact CD1-CG 3.96Å; L495-Q764 HydrophobicContact CD2-CG 4.13Å; R760-Q764 WeakPolarHBondContact O-CG 3.42Å; R760-Q764 PolarHBondContact O-N 3.46Å; R761-Q764 WeakPolarHBondContact O-CB 3.46Å; R761-Q764 PolarHBondContact O-N 3.11Å; W762-Q764 VanDerWaalsContact C-N 3.34Å; W762-Q764 PolarHBondContact O-N 3.48Å; Q764-S766 VanDerWaalsContact C-N 3.34Å; Q764-S766 PolarHBondContact O-N 3.49Å; Q764-L767 PolarHBondContact O-N 3.15Å; Q764-R768 WeakPolarHBondContact O-CG 3.19Å; Q764-R768 PolarHBondContact O-N 3.17Å
765I98.3Very high97.5Very high8 Ų835.1 Ų35.14%0.04115%0.154CC..Hα-helixtrans-60.1-47174.4-65.1167000109.9V651 N671 A755 R761 W762 R768 N769V651-I765 HydrophobicContact CB-CG2 4.4Å; V651-I765 HydrophobicContact CG1-CG2 4.08Å; V651-I765 HydrophobicContact CG2-CB 4.38Å; V651-I765 HydrophobicContact CG2-CG2 3.54Å; N671-I765 HydrophobicContact CB-CG2 3.98Å; N671-I765 WeakPolarHBondContact O-CG2 3.42Å; A755-I765 HydrophobicContact CB-CD1 4.46Å; R761-I765 HydrophobicContact CG-CD1 4.11Å; R761-I765 WeakPolarHBondContact O-CG1 3.26Å; R761-I765 PolarHBondContact O-N 3.46Å; W762-I765 PolarHBondContact O-N 2.94Å; I765-R768 PolarHBondContact O-N 3.29Å; I765-N769 PolarHBondContact O-N 2.93Å; I765-N769 PolarHBondContact O-ND2 2.79Å
766S98.4Very high97.6Very high13 Ų1334.2 Ų34.29%0.09115%0.145CC..Hα-helixtrans-58.2-48.7177.9-169.90000111.9G649 W762 R763 Q764 R768 N769 I770G649-S766 VanDerWaalsContact CA-OG 3.27Å; G649-S766 WeakPolarHBondContact CA-OG 3.46Å; G649-S766 WeakPolarHBondContact O-CB 3.35Å; G649-S766 PolarHBondContact O-OG 2.81Å; W762-S766 WeakPolarHBondContact O-CB 3.32Å; W762-S766 PolarHBondContact O-N 3.32Å; R763-S766 WeakPolarHBondContact O-CB 3.18Å; R763-S766 PolarHBondContact O-N 3.42Å; Q764-S766 VanDerWaalsContact C-N 3.34Å; Q764-S766 PolarHBondContact O-N 3.49Å; S766-R768 PolarHBondContact O-N 3.32Å; S766-N769 WeakPolarHBondContact O-CB 3.42Å; S766-N769 PolarHBondContact O-N 3.44Å; S766-I770 WeakPolarHBondContact O-CG1 3.41Å; S766-I770 PolarHBondContact O-N 2.83Å
767L98.5Very high97.7Very high0 Ų033.5 Ų33.50%014%0.143CC..Hα-helixtrans-57.4-48176.6-179.6154.5000111.6L485 L486 E489 V494 L495 L498 R763 Q764 N769 I770 A771L485-L767 HydrophobicContact CD2-CG 3.87Å; L485-L767 HydrophobicContact CG-CD1 4.16Å; L485-L767 HydrophobicContact CG-CD2 4.21Å; L485-L767 HydrophobicContact CG-CG 3.81Å; L486-L767 HydrophobicContact CD2-CD2 4.46Å; E489-L767 HydrophobicContact CB-CD2 4.17Å; V494-L767 HydrophobicContact CG1-CD1 4.41Å; L495-L767 HydrophobicContact CD2-CB 4.16Å; L495-L767 HydrophobicContact CD2-CD1 3.73Å; L498-L767 HydrophobicContact CD1-CB 3.92Å; L498-L767 HydrophobicContact CD1-CD1 3.8Å; L498-L767 HydrophobicContact CD1-CG 3.98Å; R763-L767 WeakPolarHBondContact O-CB 3.38Å; R763-L767 PolarHBondContact O-N 3.39Å; Q764-L767 PolarHBondContact O-N 3.15Å; L767-N769 VanDerWaalsContact C-N 3.29Å; L767-N769 PolarHBondContact O-N 2.83Å; L767-I770 PolarHBondContact O-N 3.08Å; L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 2.89Å
768R98.5Very high97.8Very high51 Ų5129.8 Ų29.819%0.19213%0.127CC..Hα-helixtrans-63.7-34.1-179.8-72.8175.3-179.1164.61.2112.8L486 E489 N671 R761 Q764 I765 S766 N772L486-R768 HydrophobicContact CD2-CG 4.09Å; E489-R768 IonicContact OE2-CZ 3.97Å; E489-R768 IonicContact OE2-NE 2.67Å; E489-R768 PolarHBondContact OE2-NE 2.95Å; E489-R768 IonicContact OE2-NH2 3.49Å; E489-R768 PolarHBondContact OE2-NH2 3.22Å; N671-R768 PolarHBondContact OD1-NH1 3.25Å; R761-R768 VanDerWaalsContact NH1-NH1 3.13Å; Q764-R768 WeakPolarHBondContact O-CG 3.19Å; Q764-R768 PolarHBondContact O-N 3.17Å; I765-R768 PolarHBondContact O-N 3.29Å; S766-R768 PolarHBondContact O-N 3.32Å; R768-N772 PolarHBondContact O-N 3.15Å; R768-N772 PolarHBondContact O-ND2 2.93Å
769N98.6Very high97.8Very high0 Ų026.5 Ų26.50%011%0.109CC..Hα-helixtrans-65.2-48.5173-85.9-90000111.3M646 N671 I765 S766 L767 A771 N772 A773M646-N769 HydrophobicContact CB-CB 4.27Å; M646-N769 WeakPolarHBondContact CE-O 3.31Å; M646-N769 CarbonylContact O-C 3.58Å; N671-N769 PolarHBondContact O-ND2 3.49Å; N671-N769 VanDerWaalsContact O-ND2 3.1Å; I765-N769 PolarHBondContact O-N 2.93Å; I765-N769 PolarHBondContact O-ND2 2.79Å; S766-N769 WeakPolarHBondContact O-CB 3.42Å; S766-N769 PolarHBondContact O-N 3.44Å; L767-N769 VanDerWaalsContact C-N 3.29Å; L767-N769 PolarHBondContact O-N 2.83Å; N769-A771 PolarHBondContact O-N 2.88Å; N769-N772 PolarHBondContact O-N 3.22Å; N769-A773 PolarHBondContact O-N 2.9Å
770I98.6Very high97.8Very high0 Ų024.1 Ų24.10%010%0.1CC..Hα-helixtrans-59.3-48.4176.7-63166.4000110.3M463 L467 L485 L498 M646 S766 L767 N772 A773M463-I770 HydrophobicContact CE-CD1 3.94Å; M463-I770 HydrophobicContact SD-CD1 3.97Å; L467-I770 HydrophobicContact CD2-CG2 4.12Å; L485-I770 HydrophobicContact CD2-CB 4.01Å; L485-I770 HydrophobicContact CD2-CG2 3.77Å; L498-I770 HydrophobicContact CD2-CD1 4.32Å; M646-I770 PolarHBondContact O-N 2.96Å; S766-I770 WeakPolarHBondContact O-CG1 3.41Å; S766-I770 PolarHBondContact O-N 2.83Å; L767-I770 PolarHBondContact O-N 3.08Å; I770-N772 VanDerWaalsContact C-N 3.25Å; I770-N772 PolarHBondContact O-N 2.96Å; I770-A773 WeakPolarHBondContact O-CB 3.3Å; I770-A773 PolarHBondContact O-N 3.13Å; I770-A773 VanDerWaalsContact O-N 3.12Å
771A98.3Very high97.8Very high0 Ų020 Ų200%09%0.085CC..Hα-helixtrans-61.9-32.7-174.400000113.2L482 R483 L485 L486 L767 N769L482-A771 CarbonylContact C-O 3.48Å; L482-A771 VanDerWaalsContact C-O 3.31Å; L482-A771 VanDerWaalsContact O-CA 3.3Å; L482-A771 WeakPolarHBondContact O-CA 3.37Å; R483-A771 WeakPolarHBondContact CA-O 3.5Å; R483-A771 VanDerWaalsContact CG-O 3.32Å; R483-A771 WeakPolarHBondContact CG-O 3.44Å; R483-A771 PolarHBondContact N-O 3.47Å; R483-A771 VanDerWaalsContact N-O 3.14Å; L485-A771 HydrophobicContact CB-CB 3.94Å; L485-A771 HydrophobicContact CD2-CB 4.44Å; L486-A771 HydrophobicContact CD2-CB 3.73Å; L486-A771 HydrophobicContact CG-CB 3.75Å; L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 2.89Å; N769-A771 PolarHBondContact O-N 2.88Å
772N98.1Very high97.9Very high14 Ų1417.3 Ų17.38%0.0758%0.075CC..Hα-helixtrans-94.1-4.4179.8-71.9-72.1000113.9R483 A666 V667 R768 N769 I770 G774 R775R483-N772 PolarHBondContact NE-OD1 3.24Å; A666-N772 HydrophobicContact CB-CB 4.2Å; A666-N772 VanDerWaalsContact O-CG 3.23Å; A666-N772 PolarHBondContact O-OD1 3.05Å; V667-N772 HydrophobicContact CG1-CB 4.18Å; R768-N772 PolarHBondContact O-N 3.15Å; R768-N772 PolarHBondContact O-ND2 2.93Å; N769-N772 PolarHBondContact O-N 3.22Å; I770-N772 VanDerWaalsContact C-N 3.25Å; I770-N772 PolarHBondContact O-N 2.96Å; N772-G774 PolarHBondContact O-N 3.34Å; N772-R775 PolarHBondContact O-N 3.1Å
773A98.1Very high97.8Very high2 Ų219.6 Ų19.62%0.0179%0.087CC..G310 helixtrans-67.9-20.8179.700000113.6M452 M646 L647 N769 I770 R775 F776M452-A773 WeakPolarHBondContact CE-O 3.34Å; M646-A773 HydrophobicContact CE-CB 4.18Å; M646-A773 HydrophobicContact CG-CB 4.21Å; L647-A773 HydrophobicContact CB-CB 3.72Å; L647-A773 HydrophobicContact CD1-CB 3.58Å; L647-A773 HydrophobicContact CG-CB 4.23Å; N769-A773 PolarHBondContact O-N 2.9Å; I770-A773 WeakPolarHBondContact O-CB 3.3Å; I770-A773 PolarHBondContact O-N 3.13Å; I770-A773 VanDerWaalsContact O-N 3.12Å; A773-R775 PolarHBondContact O-N 3.21Å; A773-R775 VanDerWaalsContact O-N 3.12Å; A773-F776 PolarHBondContact O-N 2.93Å
774G97Very high97.8Very high1 Ų120.6 Ų20.61%0.019%0.09CC..G310 helixtrans-49.1-35.4175.100000114.9M452 P479 N772 F776 S777 N780M452-G774 VanDerWaalsContact CE-CA 3.48Å; P479-G774 WeakPolarHBondContact O-CA 3.42Å; N772-G774 PolarHBondContact O-N 3.34Å; G774-F776 VanDerWaalsContact C-N 3.25Å; G774-F776 PolarHBondContact O-N 2.74Å; G774-S777 PolarHBondContact O-N 2.91Å; G774-N780 PolarHBondContact O-ND2 3.24Å; G774-N780 VanDerWaalsContact O-ND2 3.1Å
775R95.8Very high97.8Very high103 Ų10319.6 Ų19.639%0.3899%0.086SC..G310 helixtrans-57.1-36.9175.3162.6-179.5174.1170.60.2112.6E662 N772 A773 S777 N780E662-R775 VanDerWaalsContact CB-NH2 3.33Å; E662-R775 PolarHBondContact O-NH1 3.08Å; E662-R775 IonicContact OE2-CZ 3.78Å; E662-R775 IonicContact OE2-NH2 2.75Å; E662-R775 PolarHBondContact OE2-NH2 3.23Å; N772-R775 PolarHBondContact O-N 3.1Å; A773-R775 PolarHBondContact O-N 3.21Å; A773-R775 VanDerWaalsContact O-N 3.12Å; R775-S777 VanDerWaalsContact C-N 3.31Å; R775-S777 PolarHBondContact O-N 3.04Å; R775-N780 PolarHBondContact O-ND2 2.96Å
776F97.8Very high97.8Very high4 Ų419.2 Ų19.22%0.0188%0.084CC..G310 helixtrans-92.517.8-173.7-56.4-73000113.2G449 I450 M643 M646 E662 I663 A666 A773 G774G449-F776 CarbonylContact C-O 3.45Å; G449-F776 WeakPolarHBondContact CA-O 3.46Å; I450-F776 PolarHBondContact N-O 3.11Å; M643-F776 HydrophobicContact CB-CB 4.07Å; M643-F776 HydrophobicContact CE-CD1 3.86Å; M643-F776 HydrophobicContact CE-CE1 4.48Å; M643-F776 HydrophobicContact CG-CB 3.82Å; M643-F776 HydrophobicContact CG-CD1 4.09Å; M643-F776 HydrophobicContact CG-CG 3.94Å; M643-F776 HydrophobicContact SD-CB 3.95Å; M643-F776 HydrophobicContact SD-CD1 4.18Å; M643-F776 HydrophobicContact SD-CG 4.35Å; M646-F776 HydrophobicContact CE-CD2 4.14Å; M646-F776 HydrophobicContact CE-CE2 3.9Å; M646-F776 HydrophobicContact SD-CD2 3.55Å; M646-F776 VanDerWaalsContact SD-CD2 3.55Å; M646-F776 HydrophobicContact SD-CE2 3.57Å; M646-F776 VanDerWaalsContact SD-CE2 3.57Å; E662-F776 HydrophobicContact CB-CE1 3.97Å; E662-F776 HydrophobicContact CB-CZ 4.18Å; I663-F776 HydrophobicContact CB-CZ 4.47Å; I663-F776 HydrophobicContact CG1-CE1 4.4Å; I663-F776 HydrophobicContact CG1-CE2 3.95Å; I663-F776 HydrophobicContact CG1-CZ 3.77Å; A666-F776 HydrophobicContact CB-CE2 4.21Å; A666-F776 HydrophobicContact CB-CZ 4.37Å; A773-F776 PolarHBondContact O-N 2.93Å; G774-F776 VanDerWaalsContact C-N 3.25Å; G774-F776 PolarHBondContact O-N 2.74Å
777S98.2Very high97.7Very high0 Ų022.8 Ų22.80%010%0.102CC..BIsolated β-bridgetrans-62.5136.6168-179.40000110.8I450 P479 G774 R775 D779 N780 T781I450-S777 WeakPolarHBondContact O-CA 3.45Å; P479-S777 WeakPolarHBondContact CG-OG 3.36Å; G774-S777 PolarHBondContact O-N 2.91Å; R775-S777 VanDerWaalsContact C-N 3.31Å; R775-S777 PolarHBondContact O-N 3.04Å; S777-D779 PolarHBondContact O-N 2.83Å; S777-D779 WeakPolarHBondContact OG-CB 3.28Å; S777-D779 VanDerWaalsContact OG-CG 3.27Å; S777-D779 PolarHBondContact OG-N 3.18Å; S777-D779 PolarHBondContact OG-OD2 3.19Å; S777-N780 PolarHBondContact O-N 3Å; S777-T781 PolarHBondContact O-N 3.39Å; S777-T781 PolarHBondContact O-OG1 3.31Å
778S98.2Very high97.6Very high0 Ų027.5 Ų27.50%013%0.127CC..Hα-helixtrans-62.9-19.7169.646.80000112.6S125 I450 A451 T781 V782S125-S778 VanDerWaalsContact OG-CB 3.25Å; S125-S778 WeakPolarHBondContact OG-CB 3.47Å; S125-S778 PolarHBondContact OG-OG 2.93Å; I450-S778 PolarHBondContact O-N 2.98Å; I450-S778 PolarHBondContact O-OG 3.3Å; A451-S778 WeakPolarHBondContact CA-OG 3.16Å; A451-S778 PolarHBondContact N-OG 3.42Å; A451-S778 VanDerWaalsContact N-OG 3.12Å; S778-T781 WeakPolarHBondContact O-CB 3.29Å; S778-T781 PolarHBondContact O-N 2.99Å; S778-V782 WeakPolarHBondContact O-CB 3.27Å; S778-V782 WeakPolarHBondContact O-CG2 3.48Å; S778-V782 PolarHBondContact O-N 3.34Å
779D97.7Very high97.6Very high19 Ų1925.2 Ų25.210%0.10212%0.118CC..Hα-helixtrans-63.4-46.3174.3-50.1-31000111.1S125 M129 R453 P479 S777 T781 V782 Q783S125-D779 VanDerWaalsContact CB-OD1 3.27Å; S125-D779 WeakPolarHBondContact CB-OD1 3.44Å; S125-D779 PolarHBondContact OG-OD1 2.9Å; M129-D779 HydrophobicContact CG-CB 4.4Å; M129-D779 HydrophobicContact SD-CB 3.8Å; M129-D779 VanDerWaalsContact SD-O 3.39Å; R453-D779 IonicContact CZ-OD1 3.54Å; R453-D779 IonicContact CZ-OD2 2.69Å; R453-D779 IonicContact NH1-OD1 2.74Å; R453-D779 PolarHBondContact NH1-OD1 3.25Å; R453-D779 IonicContact NH1-OD2 3.65Å; R453-D779 PolarHBondContact NH1-OD2 3.22Å; R453-D779 IonicContact NH2-OD1 3.58Å; R453-D779 PolarHBondContact NH2-OD1 2.79Å; P479-D779 WeakPolarHBondContact CG-OD2 2.92Å; S777-D779 PolarHBondContact O-N 2.83Å; S777-D779 WeakPolarHBondContact OG-CB 3.28Å; S777-D779 VanDerWaalsContact OG-CG 3.27Å; S777-D779 PolarHBondContact OG-N 3.18Å; S777-D779 PolarHBondContact OG-OD2 3.19Å; D779-T781 PolarHBondContact O-N 3.13Å; D779-V782 PolarHBondContact O-N 2.8Å; D779-Q783 WeakPolarHBondContact O-CB 3.44Å; D779-Q783 PolarHBondContact O-N 3.06Å
780N95.8Very high97.6Very high32 Ų3225.2 Ų25.217%0.17112%0.119CC..Hα-helixtrans-61.6-37175.3-70.1-52.2000111.2R480 G774 R775 S777 R784R480-N780 PolarHBondContact NE-OD1 3.28Å; R480-N780 PolarHBondContact NH2-OD1 3.12Å; R480-N780 VanDerWaalsContact NH2-OD1 3.08Å; G774-N780 PolarHBondContact O-ND2 3.24Å; G774-N780 VanDerWaalsContact O-ND2 3.1Å; R775-N780 PolarHBondContact O-ND2 2.96Å; S777-N780 PolarHBondContact O-N 3Å; N780-R784 VanDerWaalsContact O-CG 3.31Å; N780-R784 WeakPolarHBondContact O-CG 3.21Å; N780-R784 PolarHBondContact O-N 3.23Å
781T97.6Very high97.5Very high6 Ų631.5 Ų31.54%0.03715%0.148CC..Hα-helixtrans-68.5-51.2-179.2-53.60000110.1F122 T447 G449 S777 S778 D779 Q783 R784 Y785F122-T781 HydrophobicContact CE1-CG2 3.69Å; F122-T781 HydrophobicContact CZ-CG2 3.49Å; F122-T781 VanDerWaalsContact CZ-CG2 3.49Å; T447-T781 WeakPolarHBondContact O-CG2 3.3Å; T447-T781 PolarHBondContact O-OG1 3.46Å; T447-T781 VanDerWaalsContact O-OG1 3.13Å; G449-T781 PolarHBondContact N-OG1 3.3Å; S777-T781 PolarHBondContact O-N 3.39Å; S777-T781 PolarHBondContact O-OG1 3.31Å; S778-T781 WeakPolarHBondContact O-CB 3.29Å; S778-T781 PolarHBondContact O-N 2.99Å; D779-T781 PolarHBondContact O-N 3.13Å; T781-Q783 VanDerWaalsContact C-N 3.35Å; T781-Q783 PolarHBondContact O-N 2.59Å; T781-R784 WeakPolarHBondContact O-CB 3.47Å; T781-R784 PolarHBondContact O-N 2.93Å; T781-R784 VanDerWaalsContact O-N 3.16Å; T781-Y785 HydrophobicContact CG2-CD2 3.94Å; T781-Y785 HydrophobicContact CG2-CE2 3.71Å; T781-Y785 VanDerWaalsContact O-CD2 3.31Å; T781-Y785 WeakPolarHBondContact O-CD2 3.46Å; T781-Y785 PolarHBondContact O-N 2.89Å
782V97.8Very high97.4Very high0 Ų031.7 Ų31.70%015%0.149CC..Hα-helixtrans-61.5-40.8178.9164.20000111.4F122 I126 M129 L131 S778 D779 R784 Y785 A786 W790F122-V782 HydrophobicContact CB-CG2 4.04Å; F122-V782 HydrophobicContact CD1-CG2 3.76Å; F122-V782 HydrophobicContact CD2-CG2 4.38Å; F122-V782 HydrophobicContact CE1-CG2 4.3Å; F122-V782 HydrophobicContact CG-CG2 3.81Å; I126-V782 HydrophobicContact CB-CG1 4.42Å; I126-V782 HydrophobicContact CG1-CG1 3.54Å; I126-V782 HydrophobicContact CG1-CG2 4.1Å; M129-V782 HydrophobicContact SD-CB 4.18Å; M129-V782 HydrophobicContact SD-CG1 3.95Å; L131-V782 HydrophobicContact CD1-CG1 3.5Å; L131-V782 VanDerWaalsContact CD1-CG1 3.5Å; S778-V782 WeakPolarHBondContact O-CB 3.27Å; S778-V782 WeakPolarHBondContact O-CG2 3.48Å; S778-V782 PolarHBondContact O-N 3.34Å; D779-V782 PolarHBondContact O-N 2.8Å; V782-R784 VanDerWaalsContact C-N 3.29Å; V782-R784 PolarHBondContact O-N 3.01Å; V782-Y785 PolarHBondContact O-N 3.06Å; V782-Y785 VanDerWaalsContact O-N 3.13Å; V782-A786 WeakPolarHBondContact O-CB 3.36Å; V782-A786 PolarHBondContact O-N 3.45Å; V782-W790 HydrophobicContact CG1-CZ3 4.43Å
783Q96.7Very high97.2Very high66 Ų6635.5 Ų35.531%0.30817%0.166SC..Hα-helixtrans-55.6-46.6174.3-169.66160.900111.1M129 D779 T781 Y785 A786 D787M129-Q783 HydrophobicContact CE-CB 3.62Å; M129-Q783 HydrophobicContact CE-CG 4.2Å; D779-Q783 WeakPolarHBondContact O-CB 3.44Å; D779-Q783 PolarHBondContact O-N 3.06Å; T781-Q783 VanDerWaalsContact C-N 3.35Å; T781-Q783 PolarHBondContact O-N 2.59Å; Q783-Y785 VanDerWaalsContact C-N 3.34Å; Q783-Y785 PolarHBondContact O-N 3.3Å; Q783-A786 WeakPolarHBondContact O-CB 3.34Å; Q783-A786 PolarHBondContact O-N 3.44Å; Q783-A786 VanDerWaalsContact O-N 3.14Å; Q783-D787 PolarHBondContact NE2-OD1 2.7Å; Q783-D787 PolarHBondContact NE2-OD2 3.25Å; Q783-D787 PolarHBondContact O-N 3.23Å
784R97.5Very high96.8Very high93 Ų9337.2 Ų37.235%0.35118%0.177SC..Hα-helixtrans-65.2-36.7178.4-65.917164.5-150.7-4.3112.5N445 K446 N780 T781 V782 D788N445-R784 PolarHBondContact O-NH2 3.01Å; K446-R784 HydrophobicContact CD-CB 3.69Å; K446-R784 WeakPolarHBondContact CE-O 3.22Å; N780-R784 VanDerWaalsContact O-CG 3.31Å; N780-R784 WeakPolarHBondContact O-CG 3.21Å; N780-R784 PolarHBondContact O-N 3.23Å; T781-R784 WeakPolarHBondContact O-CB 3.47Å; T781-R784 PolarHBondContact O-N 2.93Å; T781-R784 VanDerWaalsContact O-N 3.16Å; V782-R784 VanDerWaalsContact C-N 3.29Å; V782-R784 PolarHBondContact O-N 3.01Å; R784-D788 WeakPolarHBondContact O-CB 3.1Å; R784-D788 VanDerWaalsContact O-CG 3.31Å; R784-D788 PolarHBondContact O-N 3.33Å
785Y98.4Very high95.7Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-64.7-42.8172-84.6-86000111.4F122 H305 T344 N417 K446 T781 V782 Q783 I789 W790F122-Y785 HydrophobicContact CE2-CD2 4.13Å; F122-Y785 AromaticContact CE2-CE2 3.7Å; F122-Y785 HydrophobicContact CE2-CE2 3.7Å; F122-Y785 HydrophobicContact CZ-CD2 4.28Å; F122-Y785 AromaticContact CZ-CE2 3.75Å; F122-Y785 HydrophobicContact CZ-CE2 3.75Å; H305-Y785 AromaticContact CE1-CE1 3.63Å; H305-Y785 AromaticContact NE2-CE1 3.81Å; T344-Y785 PolarHBondContact OG1-OH 3.29Å; N417-Y785 PolarHBondContact ND2-OH 3.37Å; K446-Y785 HydrophobicContact CB-CD2 3.97Å; K446-Y785 HydrophobicContact CB-CE1 4.15Å; K446-Y785 HydrophobicContact CB-CE2 3.27Å; K446-Y785 HydrophobicContact CD-CD2 4.3Å; K446-Y785 HydrophobicContact CD-CE2 4.44Å; K446-Y785 HydrophobicContact CG-CD1 4.22Å; K446-Y785 HydrophobicContact CG-CD2 4.02Å; K446-Y785 HydrophobicContact CG-CE1 3.93Å; K446-Y785 HydrophobicContact CG-CE2 3.73Å; K446-Y785 HydrophobicContact CG-CG 4.25Å; T781-Y785 HydrophobicContact CG2-CD2 3.94Å; T781-Y785 HydrophobicContact CG2-CE2 3.71Å; T781-Y785 VanDerWaalsContact O-CD2 3.31Å; T781-Y785 WeakPolarHBondContact O-CD2 3.46Å; T781-Y785 PolarHBondContact O-N 2.89Å; V782-Y785 PolarHBondContact O-N 3.06Å; V782-Y785 VanDerWaalsContact O-N 3.13Å; Q783-Y785 VanDerWaalsContact C-N 3.34Å; Q783-Y785 PolarHBondContact O-N 3.3Å; Y785-I789 HydrophobicContact CD1-CD1 3.73Å; Y785-I789 HydrophobicContact CE1-CD1 3.98Å; Y785-I789 WeakPolarHBondContact O-CA 3.28Å; Y785-I789 WeakPolarHBondContact O-CB 3.25Å; Y785-I789 PolarHBondContact O-N 3.44Å; Y785-W790 AromaticContact CD1-CE2 3.95Å; Y785-W790 HydrophobicContact CD1-CH2 4.24Å; Y785-W790 AromaticContact CD1-CZ2 3.66Å; Y785-W790 HydrophobicContact CD1-CZ2 3.66Å; Y785-W790 HydrophobicContact CE1-CZ2 4.46Å; Y785-W790 AromaticContact CG-CH2 3.94Å; Y785-W790 HydrophobicContact CG-CH2 3.94Å; Y785-W790 AromaticContact CG-CZ2 3.83Å; Y785-W790 HydrophobicContact CG-CZ2 3.83Å; Y785-W790 HydrophobicContact CG-CZ3 4.45Å; Y785-W790 PolarHBondContact O-N 2.96Å
786A97.8Very high94.4Very high0 Ų038.2 Ų38.20%019%0.186CC..Iπ-helixtrans-61.5-45.5177.900000111.6L131 V782 Q783 Q791 I792L131-A786 HydrophobicContact CD1-CB 4.02Å; L131-A786 HydrophobicContact CD2-CB 4.22Å; V782-A786 WeakPolarHBondContact O-CB 3.36Å; V782-A786 PolarHBondContact O-N 3.45Å; Q783-A786 WeakPolarHBondContact O-CB 3.34Å; Q783-A786 PolarHBondContact O-N 3.44Å; Q783-A786 VanDerWaalsContact O-N 3.14Å; A786-Q791 WeakPolarHBondContact O-CA 3.3Å; A786-Q791 PolarHBondContact O-N 3.12Å; A786-I792 HydrophobicContact CB-CG1 3.77Å; A786-I792 PolarHBondContact O-N 3.31Å
787D97Very high92.6Very high88 Ų8840.5 Ų40.547%0.47121%0.205SC..Iπ-helixtrans-73.6-51.6-178.7-59.4-19.9000112.2Q783Q783-D787 PolarHBondContact NE2-OD1 2.7Å; Q783-D787 PolarHBondContact NE2-OD2 3.25Å; Q783-D787 PolarHBondContact O-N 3.23Å
788D97.1Very high90.1Very high98 Ų9847 Ų4752%0.52424%0.235SC..Iπ-helixtrans-88.2-20.9-166.7-59.6-23.3000113.6K446 R784K446-D788 WeakPolarHBondContact CE-OD2 3.06Å; K446-D788 VanDerWaalsContact NZ-CB 3.29Å; K446-D788 IonicContact NZ-OD2 3.89Å; K446-D788 PolarHBondContact NZ-OD2 2.97Å; R784-D788 WeakPolarHBondContact O-CB 3.1Å; R784-D788 VanDerWaalsContact O-CG 3.31Å; R784-D788 PolarHBondContact O-N 3.33Å
789I98Very high87.6Confident3 Ų353.8 Ų53.82%0.01527%0.267CS..Iπ-helixtrans-127.9-63.2-168.4-55.4-177.4000111.5S342 K446 Y785S342-I789 VanDerWaalsContact CB-CG2 3.49Å; K446-I789 HydrophobicContact CG-CD1 4.21Å; Y785-I789 HydrophobicContact CD1-CD1 3.73Å; Y785-I789 HydrophobicContact CE1-CD1 3.98Å; Y785-I789 WeakPolarHBondContact O-CA 3.28Å; Y785-I789 WeakPolarHBondContact O-CB 3.25Å; Y785-I789 PolarHBondContact O-N 3.44Å
790W98Very high84.4Confident1 Ų159.4 Ų59.40%0.00430%0.297CS..Iπ-helixtrans-78.4-25.8-171.9-55.1-31.8000112.8K59 A61 Y63 I126 A303 H305 V782 Y785 I792K59-W790 WeakPolarHBondContact CE-O 3.46Å; K59-W790 PolarHBondContact NZ-O 3.46Å; A61-W790 HydrophobicContact CB-CB 4.12Å; A61-W790 HydrophobicContact CB-CD2 3.98Å; A61-W790 HydrophobicContact CB-CE3 4.16Å; A61-W790 HydrophobicContact CB-CG 3.97Å; Y63-W790 HydrophobicContact CD2-CH2 4.36Å; Y63-W790 AromaticContact CD2-CZ2 3.99Å; Y63-W790 HydrophobicContact CD2-CZ2 3.99Å; Y63-W790 HydrophobicContact CE2-CZ2 4.34Å; I126-W790 HydrophobicContact CD1-CH2 4.34Å; I126-W790 HydrophobicContact CD1-CZ3 4.19Å; I126-W790 HydrophobicContact CG1-CZ3 4.44Å; A303-W790 HydrophobicContact CB-CB 4.28Å; H305-W790 HydrophobicContact CB-CZ2 4.39Å; H305-W790 AromaticContact CG-NE1 3.45Å; H305-W790 AromaticContact ND1-NE1 3.18Å; H305-W790 PolarHBondContact ND1-NE1 3.45Å; H305-W790 VanDerWaalsContact ND1-NE1 3.18Å; V782-W790 HydrophobicContact CG1-CZ3 4.43Å; Y785-W790 AromaticContact CD1-CE2 3.95Å; Y785-W790 HydrophobicContact CD1-CH2 4.24Å; Y785-W790 AromaticContact CD1-CZ2 3.66Å; Y785-W790 HydrophobicContact CD1-CZ2 3.66Å; Y785-W790 HydrophobicContact CE1-CZ2 4.46Å; Y785-W790 AromaticContact CG-CH2 3.94Å; Y785-W790 HydrophobicContact CG-CH2 3.94Å; Y785-W790 AromaticContact CG-CZ2 3.83Å; Y785-W790 HydrophobicContact CG-CZ2 3.83Å; Y785-W790 HydrophobicContact CG-CZ3 4.45Å; Y785-W790 PolarHBondContact O-N 2.96Å; W790-I792 HydrophobicContact CB-CD1 4.49Å; W790-I792 HydrophobicContact CB-CG1 4.14Å; W790-I792 HydrophobicContact CB-CG2 4.12Å; W790-I792 HydrophobicContact CE3-CD1 3.94Å; W790-I792 HydrophobicContact CE3-CG1 4.4Å
791Q96.3Very high81.6Confident132 Ų13264.8 Ų64.862%0.61733%0.326SS*.  trans54.951.5-175.9-58.6170.8-18.700111.4A786A786-Q791 WeakPolarHBondContact O-CA 3.3Å; A786-Q791 PolarHBondContact O-N 3.12Å
792I96.5Very high78.4Confident3 Ų376.2 Ų76.22%0.01537%0.369CS..  trans-114.4143.9178.663.3171.3000110.2K59 A61 L131 P132 A786 W790K59-I792 HydrophobicContact CB-CG2 4.25Å; K59-I792 HydrophobicContact CG-CG2 4.06Å; K59-I792 VanDerWaalsContact O-CG2 3.31Å; K59-I792 WeakPolarHBondContact O-CG2 2.77Å; A61-I792 HydrophobicContact CB-CD1 3.86Å; A61-I792 HydrophobicContact CB-CG2 4.36Å; L131-I792 HydrophobicContact CB-CD1 4.08Å; L131-I792 HydrophobicContact CD2-CG1 4.34Å; P132-I792 HydrophobicContact CG-CB 4.05Å; P132-I792 HydrophobicContact CG-CG2 4.47Å; A786-I792 HydrophobicContact CB-CG1 3.77Å; A786-I792 PolarHBondContact O-N 3.31Å; W790-I792 HydrophobicContact CB-CD1 4.49Å; W790-I792 HydrophobicContact CB-CG1 4.14Å; W790-I792 HydrophobicContact CB-CG2 4.12Å; W790-I792 HydrophobicContact CE3-CD1 3.94Å; W790-I792 HydrophobicContact CE3-CG1 4.4Å
793E94.1Very high75Confident94 Ų9479.1 Ų79.144%0.43940%0.398SS..  trans-126.6154.4-179.5-64.9-174.6-173.100110.5P132 A797 H798P132-E793 WeakPolarHBondContact CD-O 3.36Å; E793-A797 HydrophobicContact CB-CB 4.34Å; E793-H798 IonicContact OE2-CE1 2.59Å; E793-H798 PolarHBondContact OE2-CE1 3.44Å; E793-H798 IonicContact OE2-NE2 3.57Å; E793-H798 PolarHBondContact OE2-NE2 3.28Å
794P90.1Very high71.8Confident38 Ų3882.3 Ų82.325%0.24742%0.422CS..  trans-61.6143.8173.1-20.732.8000111.4M129 G130 L131 F796 A797M129-P794 WeakPolarHBondContact O-CG 3.4Å; G130-P794 VanDerWaalsContact O-CA 3.3Å; G130-P794 WeakPolarHBondContact O-CA 3.49Å; L131-P794 HydrophobicContact CD2-CG 3.82Å; L131-P794 HydrophobicContact CG-CG 4.47Å; P794-F796 PolarHBondContact O-N 2.83Å; P794-A797 WeakPolarHBondContact O-CB 3.41Å; P794-A797 PolarHBondContact O-N 3.27Å
795V73.3Confident68.5Low21 Ų2183.3 Ų83.313%0.12744%0.439CS..G310 helixtrans-53.5-35.2-176.91790000113D52 Y53 Q58D52-V795 HydrophobicContact CB-CG1 4.39Å; Y53-V795 HydrophobicContact CD1-CG2 3.34Å; Y53-V795 HydrophobicContact CE1-CG2 3.23Å; Q58-V795 HydrophobicContact CG-CG2 4.34Å
796F68.2Low65.1Low105 Ų10592.3 Ų92.346%0.46148%0.481SS..G310 helixtrans-89.35.1-177.2-51.2-67.6000114I221 P794 H798 E799I221-F796 HydrophobicContact CD1-CE2 4.01Å; P794-F796 PolarHBondContact O-N 2.83Å; F796-H798 PolarHBondContact O-N 2.87Å; F796-H798 VanDerWaalsContact O-N 3.12Å; F796-E799 WeakPolarHBondContact CD1-OE2 3.41Å; F796-E799 PolarHBondContact O-N 3.05Å
797A59.1Low62Low51 Ų5199.9 Ų99.942%0.42152%0.516SS..G310 helixtrans-62.9-18.9-178.300000113.5E793 P794E793-A797 HydrophobicContact CB-CB 4.34Å; P794-A797 WeakPolarHBondContact O-CB 3.41Å; P794-A797 PolarHBondContact O-N 3.27Å
798H46.3Very low58.8Low137 Ų137101.7 Ų101.763%0.63453%0.525SS*.G310 helixtrans-112.59.9-178.9-57.2-42.1000114.6E793 F796 D800E793-H798 IonicContact OE2-CE1 2.59Å; E793-H798 PolarHBondContact OE2-CE1 3.44Å; E793-H798 IonicContact OE2-NE2 3.57Å; E793-H798 PolarHBondContact OE2-NE2 3.28Å; F796-H798 PolarHBondContact O-N 2.87Å; F796-H798 VanDerWaalsContact O-N 3.12Å; H798-D800 VanDerWaalsContact C-N 3.26Å; H798-D800 PolarHBondContact O-N 2.68Å
799E46.3Very low55.5Low142 Ų142101.5 Ų101.566%0.66453%0.532SS*.  trans-81.81176.4-72-165.8159.600114.2F796F796-E799 WeakPolarHBondContact CD1-OE2 3.41Å; F796-E799 PolarHBondContact O-N 3.05Å
800D30.6Very low52.4Low137 Ų137111.9 Ų111.973%0.73357%0.572SS**SBendtrans-104.696.5170.9-176.57.2000110.6H798H798-D800 VanDerWaalsContact C-N 3.26Å; H798-D800 PolarHBondContact O-N 2.68Å
801D35.9Very low48.9Very low146 Ų146120 Ų12078%0.78162%0.615SS**SBendtrans179.7-17.4147.8-99.5-21.8000111.7
802R30.8Very low45.8Very low246 Ų246125 Ų12593%0.92865%0.645SS**SBendtrans-142.211-172.1-76.8-178.2-77177.8-1.1119.4
803G27.5Very low43.3Very low60 Ų60131.2 Ų131.262%0.61968%0.676SS**  trans123.2127.1148.700000119.6
804V28.3Very low40.6Very low133 Ų133133.1 Ų133.181%0.80669%0.689SS**  trans72.6108.9146.5-164.20000115.9
805T28.4Very low37.9Very low115 Ų115138.4 Ų138.471%0.70671%0.713SS**  -150.2115.882.819.90000113.4
806Q26.9Very low35.8Very low189 Ų189145.3 Ų145.388%0.88375%0.748SS**  trans-65.5127.7154-84.3178-28.400108.9
807H32.3Very low33.8Very low159 Ų159147.8 Ų147.874%0.73677%0.766SS**  trans-120.9100.8152.2-91.3-62.6000109.5
808D29.7Very low32.1Very low126 Ų126154.3 Ų154.367%0.67479%0.789SS**  trans56.3106.5141.6-58.9-45.7000120.3
809S28.5Very low31.1Very low94 Ų94155.5 Ų155.566%0.65780%0.8SS**  75.6134.4129.980.20000117.2
810Y33Very low29.9Very low220 Ų220156.5 Ų156.586%0.86381%0.81SS**  cis-149.7154.325.4-90.5-90.6000111.1
811L25.5Very low29.8Very low171 Ų171158.2 Ų158.290%0.89582%0.817SS**  trans-59.8128164.6-76.8143.9000112.5
812L31.4Very low29.3Very low239 Ų239159.3 Ų159.3100%1.25182%0.82SS**  -1440116.9-109.8170.8000109

Retrieved 812 of 812 residues in 442.1 ms (Link to these results)

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