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Nibrin

Component of the MRN complex, which plays a central role in double-strand break (DSB) repair, DNA recombination, maintenance of telomere integrity and meiosis. The MRN complex is involved in the repair of DNA double-strand breaks (DSBs) via homologous recombination (HR), an error-free mechanism which primarily occurs during S and G2 phases. The complex (1) mediates the end resection of damaged DNA, which generates proper single-stranded DNA, a key initial steps in HR, and is (2) required for the recruitment of other repair factors and efficient activation of ATM and ATR upon DNA damage. The MRN complex possesses single-strand endonuclease activity and double-strand-specific 3'-5' exonuclease activity, which are provided by MRE11, to initiate end resection, which is required for single-strand invasion and recombination. Within the MRN complex, nbn acts as a protein-protein adapter, which specifically recognizes and binds phosphorylated proteins, promoting their recruitment to DNA damage sites. Recruits mre11 and rad50 components of the MRN complex to DSBs in response to DNA damage. Promotes the recruitment of PI3/PI4-kinase family members atm, atr, and probably DNA-PKcs to the DNA damage sites, activating their functions. Mediates the recruitment of phosphorylated rbbp8/CtIP to DSBs, leading to cooperation between the MRN complex and rbbp8/CtIP to initiate end resection.

AlphaFold DB , UniProt , Accession A0A061IJC6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nbn, Length 751 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
1M91.5Very high75Confident8 Ų850.5 Ų50.54%0.03938%0.378CS..  0144.80-177.8168.2-128.400110.3R17 L19 Y110 E111 L135 G136 F180 V184M1-R17 HydrophobicContact CE-CB 4Å; M1-R17 HydrophobicContact SD-CB 4.04Å; M1-R17 HydrophobicContact SD-CG 4.11Å; M1-L19 HydrophobicContact CE-CD2 3.83Å; M1-Y110 VanDerWaalsContact N-CE2 3.34Å; M1-Y110 VanDerWaalsContact O-CD2 3.31Å; M1-Y110 WeakPolarHBondContact O-CD2 3.34Å; M1-E111 PolarHBondContact N-O 3.02Å; M1-E111 PolarHBondContact O-N 2.9Å; M1-L135 VanDerWaalsContact CB-O 3.24Å; M1-L135 WeakPolarHBondContact CB-O 3.24Å; M1-L135 HydrophobicContact CE-CB 4.28Å; M1-L135 HydrophobicContact CE-CD2 3.58Å; M1-L135 WeakPolarHBondContact CE-O 3.47Å; M1-L135 VanDerWaalsContact CG-O 3.28Å; M1-L135 WeakPolarHBondContact CG-O 3.31Å; M1-L135 HydrophobicContact SD-CD2 4.37Å; M1-G136 VanDerWaalsContact CA-O 3.27Å; M1-G136 WeakPolarHBondContact CA-O 3.36Å; M1-G136 PolarHBondContact N-O 3.49Å; M1-F180 HydrophobicContact SD-CE1 4.47Å; M1-F180 HydrophobicContact SD-CE2 4.46Å; M1-F180 HydrophobicContact SD-CZ 3.8Å; M1-V184 HydrophobicContact CE-CG1 4.13Å; M1-V184 HydrophobicContact CE-CG2 4.12Å
2W94.8Very high73Confident13 Ų1357.4 Ų57.45%0.04942%0.419CS..EExtended strand (participates in β ladder)trans-100.2147.4172.5-69.992.1000112.2L18 V50 P64 L66 V108 Y110W2-L18 HydrophobicContact CB-CB 4.39Å; W2-L18 HydrophobicContact CB-CD1 4.45Å; W2-L18 PolarHBondContact O-N 3.03Å; W2-V50 HydrophobicContact CB-CG2 4.09Å; W2-V50 HydrophobicContact CG-CG2 4.21Å; W2-P64 PolarHBondContact NE1-O 2.76Å; W2-L66 HydrophobicContact CD2-CB 3.62Å; W2-L66 HydrophobicContact CD2-CD2 4.14Å; W2-L66 HydrophobicContact CD2-CG 4.49Å; W2-L66 HydrophobicContact CE3-CB 4Å; W2-L66 HydrophobicContact CE3-CD2 3.87Å; W2-L66 HydrophobicContact CG-CB 3.95Å; W2-L66 HydrophobicContact CG-CD2 4.45Å; W2-L66 HydrophobicContact CH2-CB 4.36Å; W2-L66 HydrophobicContact CZ2-CB 4.04Å; W2-L66 HydrophobicContact CZ3-CB 4.34Å; W2-L66 HydrophobicContact CZ3-CD2 4.42Å; W2-V108 HydrophobicContact CE3-CG1 3.52Å; W2-V108 HydrophobicContact CZ3-CG1 3.47Å; W2-V108 VanDerWaalsContact CZ3-CG1 3.47Å; W2-Y110 AromaticContact CD1-CD2 3.97Å; W2-Y110 AromaticContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CG 4.49Å; W2-Y110 AromaticContact CE2-CD2 3.68Å; W2-Y110 HydrophobicContact CG-CD2 4.11Å; W2-Y110 HydrophobicContact CZ2-CD2 4.17Å; W2-Y110 HydrophobicContact CZ2-CG 4.44Å; W2-Y110 AromaticContact NE1-CD2 3.68Å
3K93.4Very high72.2Confident24 Ų2456.1 Ų56.110%0.10442%0.419CS..EExtended strand (participates in β ladder)trans-141.7150.7173.964.7-167.5175.1-174.40111.7P15 C16 R17 E109 E111K3-P15 HydrophobicContact CB-CB 4.31Å; K3-P15 HydrophobicContact CD-CB 4.32Å; K3-C16 CarbonylContact C-O 3.49Å; K3-C16 WeakPolarHBondContact CA-O 3.49Å; K3-R17 HydrophobicContact CB-CG 4.23Å; K3-E109 VanDerWaalsContact CE-CD 3.49Å; K3-E109 WeakPolarHBondContact CE-OE1 3.44Å; K3-E109 HydrophobicContact CG-CB 4.04Å; K3-E109 PolarHBondContact N-O 3.36Å; K3-E109 IonicContact NZ-OE1 2.72Å; K3-E109 PolarHBondContact NZ-OE1 3.26Å; K3-E109 PolarHBondContact O-N 3.19Å; K3-E111 WeakPolarHBondContact CE-OE2 3.33Å; K3-E111 IonicContact NZ-OE2 2.71Å; K3-E111 PolarHBondContact NZ-OE2 2.89Å
4L92.8Very high72Confident1 Ų158.7 Ų58.71%0.00542%0.42CS..EExtended strand (participates in β ladder)trans-106.6127.7169.5-70.2171.2000110.2P15 C16 L18 I33 L48 F106 V108L4-P15 WeakPolarHBondContact O-CA 3.32Å; L4-C16 HydrophobicContact CB-CB 4.18Å; L4-C16 PolarHBondContact N-O 3.36Å; L4-C16 PolarHBondContact O-N 2.91Å; L4-L18 HydrophobicContact CD1-CD1 4.46Å; L4-L18 HydrophobicContact CG-CD1 4.4Å; L4-I33 HydrophobicContact CD1-CD1 3.99Å; L4-L48 HydrophobicContact CD1-CD1 3.57Å; L4-F106 HydrophobicContact CB-CD1 4.26Å; L4-F106 HydrophobicContact CD2-CB 4.46Å; L4-V108 HydrophobicContact CD2-CB 4.48Å; L4-V108 HydrophobicContact CD2-CG2 3.87Å
5L91.3Very high73Confident50 Ų5057.3 Ų57.326%0.26241%0.408SS..EExtended strand (participates in β ladder)trans-105.7122.2178.1-67.3163.8000109.2A7 P15 F106 R107 E109L5-A7 PolarHBondContact O-N 3.03Å; L5-P15 HydrophobicContact CD2-CB 3.9Å; L5-F106 CarbonylContact O-C 3.48Å; L5-F106 VanDerWaalsContact O-CA 3.24Å; L5-F106 WeakPolarHBondContact O-CA 3.36Å; L5-R107 HydrophobicContact CB-CB 4.49Å; L5-R107 PolarHBondContact N-O 2.65Å; L5-R107 PolarHBondContact O-N 2.71Å; L5-E109 HydrophobicContact CD1-CB 4.13Å
6P88.1Confident74Confident52 Ų5256.9 Ų56.934%0.33840%0.404SS..EExtended strand (participates in β ladder)trans-59.9135170.4-21.232.8000110.9F106P6-F106 HydrophobicContact CB-CD1 4.49Å; P6-F106 HydrophobicContact CB-CE1 4.28Å; P6-F106 HydrophobicContact CG-CD1 4.4Å; P6-F106 HydrophobicContact CG-CE1 4.04Å
7A78.4Confident75.2Confident63 Ų6356.6 Ų56.652%0.52139%0.392SS..  trans-85.5-9.2-178.500000113.9L5 A9 K105L5-A7 PolarHBondContact O-N 3.03Å; A7-A9 PolarHBondContact O-N 2.83Å; A7-K105 HydrophobicContact CB-CB 3.89Å; A7-K105 WeakPolarHBondContact CB-O 3.08Å; A7-K105 PolarHBondContact N-O 3.22Å
8A65.8Low76.3Confident61 Ų6153.5 Ų53.550%0.50437%0.37SS..  trans-81.7109.5-175.100000112A10A8-A10 PolarHBondContact O-N 2.87Å
9A47.5Very low77.3Confident114 Ų11451.2 Ų51.294%0.94235%0.353SS*.THydrogen-bonded Turntrans-66.811.9-17700000116.2A7A7-A9 PolarHBondContact O-N 2.83Å
10A39.3Very low78.1Confident101 Ų10149.3 Ų49.384%0.83534%0.342SS*.THydrogen-bonded Turntrans-95.6-13.3-175.300000114.4A8A8-A10 PolarHBondContact O-N 2.87Å
11A42.8Very low78.7Confident68 Ų6850 Ų5056%0.56236%0.356SS*.SBendtrans-154.5139.3171.200000110.6G13A11-G13 PolarHBondContact O-N 2.76Å
12P50.3Low78.8Confident134 Ų13452.3 Ų52.387%0.8737%0.371SS*.  trans-74.476.2170.432.3-34.3000109.9E14P12-E14 PolarHBondContact O-N 3.46Å
13G62.3Low78.8Confident40 Ų4058.5 Ų58.541%0.41240%0.401SS..PPolyproline II helixtrans-64.912717000000109.9A11A11-G13 PolarHBondContact O-N 2.76Å
14E70.4Confident78.8Confident93 Ų9358.8 Ų58.844%0.43540%0.401SS..PPolyproline II helixtrans-59.7142.6-176.9-64.9-167.6176.200111.8P12 C16 Q189P12-E14 PolarHBondContact O-N 3.46Å; E14-C16 PolarHBondContact O-N 2.72Å; E14-Q189 VanDerWaalsContact OE1-CG 3.24Å; E14-Q189 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q189 PolarHBondContact OE1-NE2 3.27Å
15P85.8Confident79Confident38 Ų3861.6 Ų61.625%0.24742%0.416CS..PPolyproline II helixtrans-62.1119.3-18022.4-32.1000111.4K3 L4 L5 R17K3-P15 HydrophobicContact CB-CB 4.31Å; K3-P15 HydrophobicContact CD-CB 4.32Å; L4-P15 WeakPolarHBondContact O-CA 3.32Å; L5-P15 HydrophobicContact CD2-CB 3.9Å; P15-R17 PolarHBondContact O-N 3.27Å
16C90.2Very high79.1Confident51 Ų5159.2 Ų59.235%0.34540%0.403SS..EExtended strand (participates in β ladder)trans-69.891.9173.5-76.10000109.5K3 L4 E14K3-C16 CarbonylContact C-O 3.49Å; K3-C16 WeakPolarHBondContact CA-O 3.49Å; L4-C16 HydrophobicContact CB-CB 4.18Å; L4-C16 PolarHBondContact N-O 3.36Å; L4-C16 PolarHBondContact O-N 2.91Å; E14-C16 PolarHBondContact O-N 2.72Å
17R93.7Very high79.4Confident51 Ų5156.8 Ų56.819%0.19239%0.387CS..EExtended strand (participates in β ladder)trans-71.5140.5174.7-68.6177.3-178.9860.1110.8M1 K3 P15 V184 P190M1-R17 HydrophobicContact CE-CB 4Å; M1-R17 HydrophobicContact SD-CB 4.04Å; M1-R17 HydrophobicContact SD-CG 4.11Å; K3-R17 HydrophobicContact CB-CG 4.23Å; P15-R17 PolarHBondContact O-N 3.27Å; R17-V184 HydrophobicContact CB-CG1 3.95Å; R17-V184 HydrophobicContact CB-CG2 4.14Å; R17-P190 VanDerWaalsContact CZ-CG 3.45Å
18L94.6Very high80Confident1 Ų158.1 Ų58.11%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-117.1125.1-174.9-52.8178.6000110.1W2 L4 Y24 I33 V50 L66W2-L18 HydrophobicContact CB-CB 4.39Å; W2-L18 HydrophobicContact CB-CD1 4.45Å; W2-L18 PolarHBondContact O-N 3.03Å; L4-L18 HydrophobicContact CD1-CD1 4.46Å; L4-L18 HydrophobicContact CG-CD1 4.4Å; L18-Y24 HydrophobicContact CB-CD2 4.37Å; L18-Y24 HydrophobicContact CB-CE2 4.03Å; L18-Y24 HydrophobicContact CD2-CD1 3.93Å; L18-Y24 HydrophobicContact CD2-CD2 3.83Å; L18-Y24 HydrophobicContact CD2-CE1 4.15Å; L18-Y24 HydrophobicContact CD2-CE2 4.04Å; L18-Y24 HydrophobicContact CD2-CG 3.76Å; L18-I33 HydrophobicContact CD2-CD1 4.1Å; L18-V50 HydrophobicContact CB-CG2 3.76Å; L18-V50 HydrophobicContact CD1-CG2 4.31Å; L18-L66 HydrophobicContact CD1-CD1 3.67Å; L18-L66 HydrophobicContact CD1-CD2 4.31Å
19L95Very high81.1Confident9 Ų961.7 Ų61.75%0.04738%0.383CS..  trans-82.8150.7174.8-60.8175.7000111M1 V22 Y24 Q134 L135 L181 V184 E185M1-L19 HydrophobicContact CE-CD2 3.83Å; L19-V22 HydrophobicContact CB-CB 4.42Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; L19-Y24 WeakPolarHBondContact CB-OH 3.14Å; L19-Y24 WeakPolarHBondContact CG-OH 3.44Å; L19-Y24 PolarHBondContact N-OH 3.41Å; L19-Q134 CarbonylContact C-O 3.51Å; L19-Q134 VanDerWaalsContact CA-O 3.28Å; L19-Q134 WeakPolarHBondContact CA-O 3.31Å; L19-Q134 WeakPolarHBondContact CB-O 3.37Å; L19-Q134 WeakPolarHBondContact CD2-O 3.24Å; L19-L135 HydrophobicContact CD2-CD2 3.95Å; L19-L181 HydrophobicContact CD1-CD1 3.94Å; L19-L181 HydrophobicContact CD2-CD1 3.66Å; L19-L181 HydrophobicContact CG-CD1 4.46Å; L19-V184 HydrophobicContact CD1-CG1 4.26Å; L19-V184 HydrophobicContact CD2-CB 4.19Å; L19-V184 HydrophobicContact CD2-CG1 3.67Å; L19-V184 HydrophobicContact CG-CG1 3.78Å; L19-E185 HydrophobicContact CD1-CG 3.78Å
20A93.7Very high83.1Confident14 Ų1464.3 Ų64.312%0.11638%0.381CS..BIsolated β-bridgetrans-73.9144.1175.100000111.8V22 V50 F52 L133 Q134A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.27Å; A20-V50 CarbonylContact C-O 3.6Å; A20-V50 WeakPolarHBondContact CA-O 3.37Å; A20-V50 HydrophobicContact CB-CG1 4.15Å; A20-F52 HydrophobicContact CB-CD2 4.13Å; A20-F52 HydrophobicContact CB-CE2 3.59Å; A20-L133 WeakPolarHBondContact CB-O 3.47Å; A20-Q134 PolarHBondContact N-O 3.03Å
21G90.5Very high85.4Confident63 Ų6360.6 Ų60.665%0.64935%0.349SS*.THydrogen-bonded Turntrans72.910.5-17900000115V50G21-V50 PolarHBondContact N-O 3.29Å
22V93.4Very high87.6Confident58 Ų5859.1 Ų59.135%0.35234%0.336SS..  trans-112.8132.2-179.1179.10000110.8L19 A20 Y24L19-V22 HydrophobicContact CB-CB 4.42Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; A20-V22 VanDerWaalsContact C-N 3.25Å; A20-V22 PolarHBondContact O-N 3.27Å; V22-Y24 HydrophobicContact CB-CD2 4.29Å; V22-Y24 HydrophobicContact CB-CE2 3.66Å; V22-Y24 HydrophobicContact CG1-CD2 4.03Å; V22-Y24 HydrophobicContact CG1-CE1 4.37Å; V22-Y24 HydrophobicContact CG1-CE2 3.58Å; V22-Y24 WeakPolarHBondContact O-CD2 3.48Å
23E94.8Very high89.5Confident143 Ų14353.1 Ų53.167%0.66830%0.297SS*.EExtended strand (participates in β ladder)trans-86.5113.6173-61-157.8146.900111.6V47 T49E23-V47 HydrophobicContact CB-CG1 3.96Å; E23-V47 HydrophobicContact CG-CG1 4.37Å; E23-T49 HydrophobicContact CB-CG2 4.4Å; E23-T49 HydrophobicContact CG-CG2 3.9Å
24Y95Very high90.9Very high29 Ų2955.2 Ų55.211%0.11430%0.298CS..EExtended strand (participates in β ladder)trans-97.899.2177.6-69.6-91.9000110.7L18 L19 V22 V26 A32 L48L18-Y24 HydrophobicContact CB-CD2 4.37Å; L18-Y24 HydrophobicContact CB-CE2 4.03Å; L18-Y24 HydrophobicContact CD2-CD1 3.93Å; L18-Y24 HydrophobicContact CD2-CD2 3.83Å; L18-Y24 HydrophobicContact CD2-CE1 4.15Å; L18-Y24 HydrophobicContact CD2-CE2 4.04Å; L18-Y24 HydrophobicContact CD2-CG 3.76Å; L19-Y24 WeakPolarHBondContact CB-OH 3.14Å; L19-Y24 WeakPolarHBondContact CG-OH 3.44Å; L19-Y24 PolarHBondContact N-OH 3.41Å; V22-Y24 HydrophobicContact CB-CD2 4.29Å; V22-Y24 HydrophobicContact CB-CE2 3.66Å; V22-Y24 HydrophobicContact CG1-CD2 4.03Å; V22-Y24 HydrophobicContact CG1-CE1 4.37Å; V22-Y24 HydrophobicContact CG1-CE2 3.58Å; V22-Y24 WeakPolarHBondContact O-CD2 3.48Å; Y24-V26 PolarHBondContact O-N 3.24Å; Y24-A32 HydrophobicContact CD1-CB 4.05Å; Y24-L48 PolarHBondContact N-O 2.85Å; Y24-L48 PolarHBondContact O-N 3.1Å
25I95.4Very high91.8Very high61 Ų6151.5 Ų51.531%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-69.9122171.2-55.6177.6000109.5C31 A32 I33 N44 V47I25-C31 HydrophobicContact CB-CB 4.35Å; I25-C31 HydrophobicContact CG2-CB 3.97Å; I25-C31 WeakPolarHBondContact O-CB 3.03Å; I25-A32 PolarHBondContact O-N 2.69Å; I25-I33 PolarHBondContact O-N 2.86Å; I25-N44 HydrophobicContact CG2-CB 4.15Å; I25-V47 HydrophobicContact CG1-CG2 4.32Å
26V94.9Very high91.7Very high0 Ų055.9 Ų55.90%030%0.299CS..EExtended strand (participates in β ladder)trans-90138.7167.6-172.70000109.2Y24 I33 I35 H45 A46 L48 F99Y24-V26 PolarHBondContact O-N 3.24Å; V26-I33 WeakPolarHBondContact CA-O 3.46Å; V26-I33 HydrophobicContact CB-CB 4.5Å; V26-I33 HydrophobicContact CG1-CG2 4.22Å; V26-I33 HydrophobicContact CG2-CB 4.14Å; V26-I33 HydrophobicContact CG2-CD1 4.03Å; V26-I33 HydrophobicContact CG2-CG2 4.36Å; V26-I35 HydrophobicContact CG1-CD1 3.54Å; V26-I35 HydrophobicContact CG1-CG1 4.34Å; V26-H45 WeakPolarHBondContact O-CB 3.49Å; V26-H45 PolarHBondContact O-N 3.15Å; V26-A46 HydrophobicContact CB-CB 4.41Å; V26-A46 PolarHBondContact N-O 3.03Å; V26-A46 PolarHBondContact O-N 3.36Å; V26-L48 HydrophobicContact CG2-CD1 3.5Å; V26-L48 HydrophobicContact CG2-CG 4.33Å; V26-F99 HydrophobicContact CB-CE1 4.14Å; V26-F99 HydrophobicContact CB-CZ 4.4Å; V26-F99 HydrophobicContact CG1-CD1 3.94Å; V26-F99 HydrophobicContact CG1-CD2 4.18Å; V26-F99 HydrophobicContact CG1-CE1 3.87Å; V26-F99 HydrophobicContact CG1-CE2 4.13Å; V26-F99 HydrophobicContact CG1-CG 4.08Å; V26-F99 HydrophobicContact CG1-CZ 3.97Å; V26-F99 HydrophobicContact CG2-CE1 3.96Å; V26-F99 HydrophobicContact CG2-CZ 3.89Å
27G93.9Very high91.3Very high0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans178-174.7174.600000113.8C31 I33 L34 I35 S42G27-C31 PolarHBondContact O-SG 2.63Å; G27-I33 PolarHBondContact N-O 3.43Å; G27-L34 WeakPolarHBondContact O-CA 3.28Å; G27-I35 PolarHBondContact O-N 2.84Å; G27-S42 WeakPolarHBondContact CA-O 3.34Å
28R91.6Very high91Very high92 Ų9259.3 Ų59.335%0.34732%0.317SS..SBendtrans-96.1-9.1-178.467.4168.4167.9-152.5-9.7116.2L34 I35 Q39 I41 S42R28-L34 WeakPolarHBondContact O-CD1 3.48Å; R28-I35 WeakPolarHBondContact CA-O 3.42Å; R28-I35 WeakPolarHBondContact CB-O 3.47Å; R28-Q39 PolarHBondContact NH1-O 3.14Å; R28-I41 HydrophobicContact CB-CB 4.31Å; R28-I41 HydrophobicContact CB-CG2 3.85Å; R28-I41 WeakPolarHBondContact CD-O 3.07Å; R28-I41 HydrophobicContact CG-CG2 4.43Å; R28-I41 WeakPolarHBondContact CG-O 3.43Å; R28-I41 PolarHBondContact NE-O 3.18Å; R28-I41 PolarHBondContact NH1-O 2.97Å; R28-S42 PolarHBondContact N-O 2.95Å; R28-S42 VanDerWaalsContact N-O 3.14Å
29K88.8Confident90.8Very high135 Ų13567 Ų6759%0.58735%0.353SS*.SBendtrans-158.5144.1177.2-67.4-158.9177.6-158.40110.5C31K29-C31 PolarHBondContact O-N 3.35Å
30N87.7Confident90.6Very high169 Ų16966.8 Ų66.890%0.90435%0.352SS*.SBendtrans55.946.7170.9-57.315.7000113.8
31C89.4Confident90.6Very high24 Ų2466.1 Ų66.116%0.16235%0.347CS..SBendtrans-140.1163.2-171.252.10000111.3I25 G27 K29 I33I25-C31 HydrophobicContact CB-CB 4.35Å; I25-C31 HydrophobicContact CG2-CB 3.97Å; I25-C31 WeakPolarHBondContact O-CB 3.03Å; G27-C31 PolarHBondContact O-SG 2.63Å; K29-C31 PolarHBondContact O-N 3.35Å; C31-I33 PolarHBondContact SG-O 2.86Å
32A88.6Confident90.7Very high36 Ų3664.3 Ų64.330%0.29832%0.324SS..SBendtrans-71.9-43.7-176.400000111.6Y24 I25 K187Y24-A32 HydrophobicContact CD1-CB 4.05Å; I25-A32 PolarHBondContact O-N 2.69Å; A32-K187 PolarHBondContact O-NZ 2.76Å
33I90.8Very high90.7Very high9 Ų970.6 Ų70.65%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-106.4111.5172.1-63.4163.6000106.7L4 L18 I25 V26 G27 C31 L48L4-I33 HydrophobicContact CD1-CD1 3.99Å; L18-I33 HydrophobicContact CD2-CD1 4.1Å; I25-I33 PolarHBondContact O-N 2.86Å; V26-I33 WeakPolarHBondContact CA-O 3.46Å; V26-I33 HydrophobicContact CB-CB 4.5Å; V26-I33 HydrophobicContact CG1-CG2 4.22Å; V26-I33 HydrophobicContact CG2-CB 4.14Å; V26-I33 HydrophobicContact CG2-CD1 4.03Å; V26-I33 HydrophobicContact CG2-CG2 4.36Å; G27-I33 PolarHBondContact N-O 3.43Å; C31-I33 PolarHBondContact SG-O 2.86Å; I33-L48 HydrophobicContact CD1-CD1 3.67Å
34L90.7Very high90.6Very high83 Ų8367.2 Ų67.244%0.43533%0.328SS..EExtended strand (participates in β ladder)trans-102.3118.4-173.9-178.265000109.9G27 R28 E36G27-L34 WeakPolarHBondContact O-CA 3.28Å; R28-L34 WeakPolarHBondContact O-CD1 3.48Å; L34-E36 HydrophobicContact CD1-CG 4.47Å; L34-E36 HydrophobicContact CD2-CG 4.01Å; L34-E36 HydrophobicContact CG-CG 3.87Å
35I88.9Confident90.6Very high16 Ų1665.8 Ų65.88%0.08232%0.323CS..  trans-111.9100.9175-54.3168.2000107.5V26 G27 R28 D38 I41 F99 F106V26-I35 HydrophobicContact CG1-CD1 3.54Å; V26-I35 HydrophobicContact CG1-CG1 4.34Å; G27-I35 PolarHBondContact O-N 2.84Å; R28-I35 WeakPolarHBondContact CA-O 3.42Å; R28-I35 WeakPolarHBondContact CB-O 3.47Å; I35-D38 HydrophobicContact CG2-CB 4.47Å; I35-I41 HydrophobicContact CB-CD1 3.72Å; I35-I41 HydrophobicContact CD1-CD1 3.72Å; I35-I41 HydrophobicContact CG1-CD1 4.33Å; I35-I41 HydrophobicContact CG2-CD1 3.52Å; I35-F99 HydrophobicContact CD1-CB 4.13Å; I35-F99 HydrophobicContact CD1-CD2 3.58Å; I35-F99 HydrophobicContact CD1-CE2 4.25Å; I35-F99 HydrophobicContact CD1-CG 4.01Å; I35-F106 HydrophobicContact CD1-CE2 3.62Å; I35-F106 HydrophobicContact CD1-CZ 4.01Å; I35-F106 HydrophobicContact CG1-CE2 4.14Å; I35-F106 HydrophobicContact CG1-CZ 4.04Å
36E83.4Confident90.6Very high130 Ų13062.9 Ų62.961%0.60731%0.308SS*.  trans-80.8166.3-178.8-58.3-159.8145.300112.2L34 D38L34-E36 HydrophobicContact CD1-CG 4.47Å; L34-E36 HydrophobicContact CD2-CG 4.01Å; L34-E36 HydrophobicContact CG-CG 3.87Å; E36-D38 PolarHBondContact O-N 3.17Å
37N83.5Confident90.7Very high161 Ų16163.7 Ų63.786%0.86131%0.313SS*.SBendtrans63.9-11.9174.7-53.4-56.3000117.3
38D87Confident90.8Very high13 Ų1363.8 Ų63.87%0.0731%0.313CS..  trans-80.5122.3170.9-167.3-47.3000112.2I35 E36 S40 I41 S104I35-D38 HydrophobicContact CG2-CB 4.47Å; E36-D38 PolarHBondContact O-N 3.17Å; D38-S40 VanDerWaalsContact OD1-CA 3.31Å; D38-S40 WeakPolarHBondContact OD1-CA 3.5Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 2.63Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; D38-I41 HydrophobicContact CB-CB 4.21Å; D38-I41 HydrophobicContact CB-CD1 3.78Å; D38-I41 HydrophobicContact CB-CG1 3.96Å; D38-I41 PolarHBondContact OD1-N 3.08Å; D38-S104 WeakPolarHBondContact OD2-CB 3.35Å; D38-S104 PolarHBondContact OD2-OG 2.96Å
39Q88.9Confident91Very high161 Ų16160.3 Ų60.375%0.75230%0.302SS*.SBendtrans-86.4-19.8178.2-64.2-163.125.800114.6R28R28-Q39 PolarHBondContact NH1-O 3.14Å
40S92.1Very high91.3Very high5 Ų553.9 Ų53.94%0.03527%0.274CS..SBendtrans-77.2-23175.375.40000112.6D38 S42 Y74 G100 V101D38-S40 VanDerWaalsContact OD1-CA 3.31Å; D38-S40 WeakPolarHBondContact OD1-CA 3.5Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 2.63Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; S40-S42 PolarHBondContact O-N 3.23Å; S40-Y74 WeakPolarHBondContact O-CD2 3.49Å; S40-G100 WeakPolarHBondContact OG-CA 3.36Å; S40-V101 PolarHBondContact OG-N 2.9Å; S40-V101 VanDerWaalsContact OG-N 3.08Å
41I93.6Very high91.4Very high0 Ų049.3 Ų49.30%025%0.25CC..SBendtrans-72.6127.2-178.8-71.5-179.5000112.1R28 I35 D38 H45 F99 S104R28-I41 HydrophobicContact CB-CB 4.31Å; R28-I41 HydrophobicContact CB-CG2 3.85Å; R28-I41 WeakPolarHBondContact CD-O 3.07Å; R28-I41 HydrophobicContact CG-CG2 4.43Å; R28-I41 WeakPolarHBondContact CG-O 3.43Å; R28-I41 PolarHBondContact NE-O 3.18Å; R28-I41 PolarHBondContact NH1-O 2.97Å; I35-I41 HydrophobicContact CB-CD1 3.72Å; I35-I41 HydrophobicContact CD1-CD1 3.72Å; I35-I41 HydrophobicContact CG1-CD1 4.33Å; I35-I41 HydrophobicContact CG2-CD1 3.52Å; D38-I41 HydrophobicContact CB-CB 4.21Å; D38-I41 HydrophobicContact CB-CD1 3.78Å; D38-I41 HydrophobicContact CB-CG1 3.96Å; D38-I41 PolarHBondContact OD1-N 3.08Å; I41-H45 WeakPolarHBondContact CA-ND1 3.35Å; I41-H45 HydrophobicContact CG2-CB 4.09Å; I41-F99 HydrophobicContact CD1-CB 3.79Å; I41-F99 HydrophobicContact CG1-CB 4.16Å; I41-F99 WeakPolarHBondContact CG1-O 3.47Å; I41-S104 WeakPolarHBondContact CD1-OG 3.28Å
42S92.8Very high91.3Very high26 Ų2650.9 Ų50.918%0.18225%0.254CS..  trans-67.7165.2172.8-74.60000112.5G27 R28 S40 N44 H45 K73G27-S42 WeakPolarHBondContact CA-O 3.34Å; R28-S42 PolarHBondContact N-O 2.95Å; R28-S42 VanDerWaalsContact N-O 3.14Å; S40-S42 PolarHBondContact O-N 3.23Å; S42-N44 WeakPolarHBondContact CB-O 3.15Å; S42-H45 PolarHBondContact N-ND1 2.69Å; S42-K73 PolarHBondContact OG-N 3.25Å
43R92.3Very high90.7Very high189 Ų18950.7 Ų50.771%0.71325%0.25SC*.SBendtrans-68.4-43.6175.5-62.1-176.2-169.1164.73.7111.8
44N92.8Very high89.2Confident72 Ų7258.7 Ų58.739%0.38529%0.292SS..SBendtrans-108.4111.6156.9175.9-9.8000105I25 S42 N71I25-N44 HydrophobicContact CG2-CB 4.15Å; S42-N44 WeakPolarHBondContact CB-O 3.15Å; N44-N71 PolarHBondContact OD1-ND2 3.07Å
45H94.6Very high87Confident0 Ų059.2 Ų59.20%030%0.298CS..  trans-100.4-55.6-176.9-169.1119.5000110.7V26 I41 S42 D70 N71 S72 T76 F99 G100V26-H45 WeakPolarHBondContact O-CB 3.49Å; V26-H45 PolarHBondContact O-N 3.15Å; I41-H45 WeakPolarHBondContact CA-ND1 3.35Å; I41-H45 HydrophobicContact CG2-CB 4.09Å; S42-H45 PolarHBondContact N-ND1 2.69Å; H45-D70 IonicContact CD2-OD1 2.63Å; H45-N71 CarbonylContact O-C 3.44Å; H45-N71 WeakPolarHBondContact O-CA 3.3Å; H45-N71 PolarHBondContact O-N 3.39Å; H45-S72 VanDerWaalsContact CD2-CB 3.42Å; H45-S72 WeakPolarHBondContact CD2-CB 3.24Å; H45-S72 WeakPolarHBondContact NE2-CB 3.41Å; H45-S72 PolarHBondContact NE2-OG 3.44Å; H45-S72 PolarHBondContact O-N 2.92Å; H45-S72 VanDerWaalsContact O-N 3.15Å; H45-T76 PolarHBondContact CD2-OG1 3.01Å; H45-T76 VanDerWaalsContact CD2-OG1 3.29Å; H45-T76 PolarHBondContact NE2-OG1 3.25Å; H45-F99 AromaticContact CD2-CD1 3.8Å; H45-G100 PolarHBondContact CE1-N 3.17Å; H45-G100 PolarHBondContact NE2-N 2.89Å
46A96Very high84.6Confident0 Ų061.5 Ų61.50%032%0.316CS..EExtended strand (participates in β ladder)trans-143.2159.3176.600000109.4V26 I68 K69 F99V26-A46 HydrophobicContact CB-CB 4.41Å; V26-A46 PolarHBondContact N-O 3.03Å; V26-A46 PolarHBondContact O-N 3.36Å; A46-I68 HydrophobicContact CB-CD1 4.43Å; A46-I68 HydrophobicContact CB-CG1 4.21Å; A46-K69 CarbonylContact C-O 3.52Å; A46-K69 WeakPolarHBondContact CA-O 3.43Å; A46-K69 WeakPolarHBondContact CB-O 3.32Å; A46-F99 HydrophobicContact CB-CD1 4.28Å; A46-F99 HydrophobicContact CB-CE1 3.87Å
47V96.8Very high82.6Confident17 Ų1764.5 Ų64.510%0.10334%0.335CS..EExtended strand (participates in β ladder)trans-115127.8168.9-1780000108.1E23 I25 T49 I68 K69E23-V47 HydrophobicContact CB-CG1 3.96Å; E23-V47 HydrophobicContact CG-CG1 4.37Å; I25-V47 HydrophobicContact CG1-CG2 4.32Å; V47-T49 HydrophobicContact CG1-CG2 3.98Å; V47-I68 CarbonylContact O-C 3.54Å; V47-I68 WeakPolarHBondContact O-CA 3.42Å; V47-K69 PolarHBondContact N-O 2.82Å; V47-K69 PolarHBondContact O-N 3.42Å
48L96.7Very high80.7Confident1 Ų161.7 Ų61.71%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-102.5135.9171-72.1149.1000108.9L4 Y24 V26 I33 L66 T67 I68 L91L4-L48 HydrophobicContact CD1-CD1 3.57Å; Y24-L48 PolarHBondContact N-O 2.85Å; Y24-L48 PolarHBondContact O-N 3.1Å; V26-L48 HydrophobicContact CG2-CD1 3.5Å; V26-L48 HydrophobicContact CG2-CG 4.33Å; I33-L48 HydrophobicContact CD1-CD1 3.67Å; L48-L66 HydrophobicContact CB-CD1 4.42Å; L48-L66 HydrophobicContact CD2-CD1 4.01Å; L48-L66 HydrophobicContact CD2-CD2 4.49Å; L48-L66 HydrophobicContact CD2-CG 4.44Å; L48-T67 CarbonylContact C-O 3.54Å; L48-T67 VanDerWaalsContact CA-O 3.32Å; L48-T67 WeakPolarHBondContact CA-O 3.33Å; L48-I68 HydrophobicContact CD2-CB 3.79Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.9Å; L48-I68 HydrophobicContact CG-CG1 4.27Å; L48-L91 HydrophobicContact CD2-CD1 3.9Å
49T95.5Very high78.6Confident20 Ų2066.8 Ų66.812%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-134.9133173.277.80000110.1E23 V47 N51 T67E23-T49 HydrophobicContact CB-CG2 4.4Å; E23-T49 HydrophobicContact CG-CG2 3.9Å; V47-T49 HydrophobicContact CG1-CG2 3.98Å; T49-N51 PolarHBondContact OG1-ND2 3.14Å; T49-T67 PolarHBondContact N-O 2.86Å; T49-T67 PolarHBondContact O-N 3.39Å; T49-T67 PolarHBondContact O-OG1 3.03Å; T49-T67 PolarHBondContact OG1-OG1 3.43Å
50V95.1Very high76.8Confident0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-101.7118.7170.6175.10000107.2W2 L18 A20 G21 P64 I65 L66W2-V50 HydrophobicContact CB-CG2 4.09Å; W2-V50 HydrophobicContact CG-CG2 4.21Å; L18-V50 HydrophobicContact CB-CG2 3.76Å; L18-V50 HydrophobicContact CD1-CG2 4.31Å; A20-V50 CarbonylContact C-O 3.6Å; A20-V50 WeakPolarHBondContact CA-O 3.37Å; A20-V50 HydrophobicContact CB-CG1 4.15Å; G21-V50 PolarHBondContact N-O 3.29Å; V50-P64 HydrophobicContact CG1-CB 3.94Å; V50-I65 WeakPolarHBondContact CA-O 3.41Å; V50-L66 HydrophobicContact CG2-CB 4.43Å; V50-L66 HydrophobicContact CG2-CD1 3.59Å
51N90.6Very high75.1Confident73 Ų7366.6 Ų66.639%0.3936%0.362SS..EExtended strand (participates in β ladder)trans-130.3141.2179.4-66-53.8000110T49 I65T49-N51 PolarHBondContact OG1-ND2 3.14Å; N51-I65 PolarHBondContact N-O 3.35Å; N51-I65 PolarHBondContact O-N 2.8Å
52F86Confident74.3Confident56 Ų5670.8 Ų70.825%0.24638%0.381CS..  trans-69.8143.1162.9-66.3-88.1000109A20 L54 P64 L133 G137 L138A20-F52 HydrophobicContact CB-CD2 4.13Å; A20-F52 HydrophobicContact CB-CE2 3.59Å; F52-L54 PolarHBondContact O-N 3.38Å; F52-P64 HydrophobicContact CD1-CB 3.84Å; F52-P64 HydrophobicContact CD1-CG 4.44Å; F52-P64 HydrophobicContact CE1-CB 3.77Å; F52-P64 HydrophobicContact CE1-CG 3.93Å; F52-P64 HydrophobicContact CE2-CB 4.44Å; F52-P64 HydrophobicContact CG-CB 4.22Å; F52-P64 HydrophobicContact CZ-CB 4.1Å; F52-P64 HydrophobicContact CZ-CG 4.25Å; F52-L133 HydrophobicContact CD2-CD1 4.28Å; F52-L133 HydrophobicContact CD2-CG 4.38Å; F52-L133 HydrophobicContact CE2-CD1 3.98Å; F52-L133 HydrophobicContact CE2-CG 3.8Å; F52-L133 WeakPolarHBondContact CE2-O 3.15Å; F52-L133 HydrophobicContact CZ-CD1 4.31Å; F52-L133 HydrophobicContact CZ-CG 4.32Å; F52-G137 WeakPolarHBondContact CZ-O 3.27Å; F52-L138 HydrophobicContact CD1-CD2 4.43Å; F52-L138 HydrophobicContact CE1-CD2 3.77Å
53P76.4Confident73.8Confident32 Ų3274 Ų7421%0.20840%0.396CS..  trans-57.4136.4170.521.9-28.6000109.9T55 E62 I65P53-T55 PolarHBondContact O-N 2.82Å; P53-E62 WeakPolarHBondContact CB-OE2 3.14Å; P53-E62 HydrophobicContact CG-CB 3.63Å; P53-E62 HydrophobicContact CG-CG 4.39Å; P53-E62 WeakPolarHBondContact CG-OE2 3.46Å; P53-I65 HydrophobicContact CB-CD1 4.14Å; P53-I65 HydrophobicContact CG-CD1 4.44Å
54L58.7Low73.7Confident178 Ų17865 Ų6593%0.93236%0.362SS*.SBendtrans-82.3-1.2-174.7-158.969.4000112.7F52F52-L54 PolarHBondContact O-N 3.38Å
55T45.5Very low73.8Confident93 Ų9364.8 Ų64.857%0.57136%0.36SS*.SBendtrans-75.5122.5173.832.60000110P53P53-T55 PolarHBondContact O-N 2.82Å
56S38.9Very low73.8Confident65 Ų6564.8 Ų64.846%0.45536%0.36SS..  trans73.3101.8175.7-530000116.4S58S56-S58 PolarHBondContact O-N 2.98Å
57L41.1Very low73.8Confident192 Ų19266.1 Ų66.1100%1.00537%0.368SS*.THydrogen-bonded Turntrans-68.622.8166.9-72.4164.9000113.6
58S43.5Very low73.8Confident102 Ų10265.4 Ų65.471%0.71336%0.363SS*.THydrogen-bonded Turntrans-151.72-157.555.90000115.4S56S56-S58 PolarHBondContact O-N 2.98Å
59Q43.5Very low73.8Confident120 Ų12069.2 Ų69.256%0.56138%0.38SS*.  trans-128.3124.1171.7-80.9176.2-39.500108.9D61Q59-D61 WeakPolarHBondContact CA-OD2 3.39Å; Q59-D61 WeakPolarHBondContact CB-OD2 3.42Å; Q59-D61 PolarHBondContact O-N 3.47Å
60A49.6Very low73.9Confident47 Ų4768.3 Ų68.339%0.38838%0.375SS..SBendtrans-97.528.2-176.100000111L138A60-L138 WeakPolarHBondContact O-CB 3.48Å; A60-L138 WeakPolarHBondContact O-CD2 2.89Å
61D57.9Low73.8Confident116 Ų11671 Ų7162%0.6239%0.389SS*.  trans-122.9-15.1-155.8-45.3-65000112.3Q59Q59-D61 WeakPolarHBondContact CA-OD2 3.39Å; Q59-D61 WeakPolarHBondContact CB-OD2 3.42Å; Q59-D61 PolarHBondContact O-N 3.47Å
62E75.3Confident74Confident87 Ų8768.1 Ų68.141%0.40737%0.374SS..SBendtrans-83124.3177.9-70.5-167.1-161.100112.3P53P53-E62 WeakPolarHBondContact CB-OE2 3.14Å; P53-E62 HydrophobicContact CG-CB 3.63Å; P53-E62 HydrophobicContact CG-CG 4.39Å; P53-E62 WeakPolarHBondContact CG-OE2 3.46Å
63I83.4Confident74.3Confident95 Ų9572.9 Ų72.949%0.48740%0.395SS..PPolyproline II helixtrans-58.7130.9177.2-70.1171.9000110.2Y110I63-Y110 HydrophobicContact CD1-CE1 4.15Å; I63-Y110 HydrophobicContact CG1-CE1 4.25Å; I63-Y110 HydrophobicContact CG2-CD1 4.37Å; I63-Y110 HydrophobicContact CG2-CD2 4.25Å; I63-Y110 HydrophobicContact CG2-CE1 3.94Å; I63-Y110 HydrophobicContact CG2-CE2 3.82Å
64P91Very high75.1Confident0 Ų075.8 Ų75.80%040%0.402CS..PPolyproline II helixtrans-62.1141.8177.825.1-33.7000110.9W2 V50 F52 Y110W2-P64 PolarHBondContact NE1-O 2.76Å; V50-P64 HydrophobicContact CG1-CB 3.94Å; F52-P64 HydrophobicContact CD1-CB 3.84Å; F52-P64 HydrophobicContact CD1-CG 4.44Å; F52-P64 HydrophobicContact CE1-CB 3.77Å; F52-P64 HydrophobicContact CE1-CG 3.93Å; F52-P64 HydrophobicContact CE2-CB 4.44Å; F52-P64 HydrophobicContact CG-CB 4.22Å; F52-P64 HydrophobicContact CZ-CB 4.1Å; F52-P64 HydrophobicContact CZ-CG 4.25Å; P64-Y110 HydrophobicContact CG-CE2 4.13Å
65I93.3Very high76.8Confident67 Ų6767.4 Ų67.434%0.34436%0.359SS..EExtended strand (participates in β ladder)trans-95.9125-173.6-57.8174.1000109.5V50 N51 P53 T67 T90V50-I65 WeakPolarHBondContact CA-O 3.41Å; N51-I65 PolarHBondContact N-O 3.35Å; N51-I65 PolarHBondContact O-N 2.8Å; P53-I65 HydrophobicContact CB-CD1 4.14Å; P53-I65 HydrophobicContact CG-CD1 4.44Å; I65-T67 HydrophobicContact CG2-CG2 4.11Å; I65-T90 HydrophobicContact CG2-CG2 3.5Å; I65-T90 VanDerWaalsContact CG2-CG2 3.5Å
66L95.8Very high79.2Confident0 Ų063 Ų630%033%0.332CS..EExtended strand (participates in β ladder)trans-86.7128.1168177.665.7000110W2 L18 L48 V50 L91 V108W2-L66 HydrophobicContact CD2-CB 3.62Å; W2-L66 HydrophobicContact CD2-CD2 4.14Å; W2-L66 HydrophobicContact CD2-CG 4.49Å; W2-L66 HydrophobicContact CE3-CB 4Å; W2-L66 HydrophobicContact CE3-CD2 3.87Å; W2-L66 HydrophobicContact CG-CB 3.95Å; W2-L66 HydrophobicContact CG-CD2 4.45Å; W2-L66 HydrophobicContact CH2-CB 4.36Å; W2-L66 HydrophobicContact CZ2-CB 4.04Å; W2-L66 HydrophobicContact CZ3-CB 4.34Å; W2-L66 HydrophobicContact CZ3-CD2 4.42Å; L18-L66 HydrophobicContact CD1-CD1 3.67Å; L18-L66 HydrophobicContact CD1-CD2 4.31Å; L48-L66 HydrophobicContact CB-CD1 4.42Å; L48-L66 HydrophobicContact CD2-CD1 4.01Å; L48-L66 HydrophobicContact CD2-CD2 4.49Å; L48-L66 HydrophobicContact CD2-CG 4.44Å; V50-L66 HydrophobicContact CG2-CB 4.43Å; V50-L66 HydrophobicContact CG2-CD1 3.59Å; L66-L91 HydrophobicContact CB-CB 4.47Å; L66-L91 HydrophobicContact CD2-CB 4.06Å; L66-L91 HydrophobicContact CD2-CD1 3.77Å; L66-L91 HydrophobicContact CG-CB 4.18Å; L66-L91 HydrophobicContact CG-CD1 4.04Å; L66-L91 PolarHBondContact O-N 3.05Å; L66-V108 HydrophobicContact CD2-CG1 3.58Å
67T96.3Very high81.9Confident28 Ų2862.1 Ų62.117%0.17232%0.32CS..EExtended strand (participates in β ladder)trans-121.8151.8172.561.30000111.1L48 T49 I65 Y89L48-T67 CarbonylContact C-O 3.54Å; L48-T67 VanDerWaalsContact CA-O 3.32Å; L48-T67 WeakPolarHBondContact CA-O 3.33Å; T49-T67 PolarHBondContact N-O 2.86Å; T49-T67 PolarHBondContact O-N 3.39Å; T49-T67 PolarHBondContact O-OG1 3.03Å; T49-T67 PolarHBondContact OG1-OG1 3.43Å; I65-T67 HydrophobicContact CG2-CG2 4.11Å; T67-Y89 CarbonylContact C-O 3.4Å; T67-Y89 VanDerWaalsContact CA-O 3.25Å; T67-Y89 WeakPolarHBondContact CA-O 3.41Å
68I96.9Very high84.5Confident1 Ų153.2 Ų53.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-128.7139.2176.3-172.7171.7000109.9A46 V47 L48 T76 M83 P88 Y89 L91 V97 F99A46-I68 HydrophobicContact CB-CD1 4.43Å; A46-I68 HydrophobicContact CB-CG1 4.21Å; V47-I68 CarbonylContact O-C 3.54Å; V47-I68 WeakPolarHBondContact O-CA 3.42Å; L48-I68 HydrophobicContact CD2-CB 3.79Å; L48-I68 HydrophobicContact CD2-CD1 4.04Å; L48-I68 HydrophobicContact CD2-CG1 3.9Å; L48-I68 HydrophobicContact CG-CG1 4.27Å; I68-T76 HydrophobicContact CD1-CG2 3.81Å; I68-M83 HydrophobicContact CD1-SD 4.4Å; I68-M83 HydrophobicContact CG1-SD 4.42Å; I68-M83 HydrophobicContact CG2-CE 3.92Å; I68-M83 HydrophobicContact CG2-SD 3.82Å; I68-M83 WeakPolarHBondContact O-CE 3.48Å; I68-P88 CarbonylContact O-C 3.58Å; I68-P88 WeakPolarHBondContact O-CA 3.19Å; I68-Y89 HydrophobicContact CG2-CD1 4.37Å; I68-Y89 PolarHBondContact N-O 3.29Å; I68-Y89 PolarHBondContact O-N 2.9Å; I68-L91 HydrophobicContact CB-CD1 3.77Å; I68-L91 HydrophobicContact CB-CG 4.29Å; I68-L91 HydrophobicContact CD1-CD1 4.39Å; I68-L91 HydrophobicContact CG2-CD1 3.7Å; I68-L91 HydrophobicContact CG2-CD2 4.02Å; I68-L91 HydrophobicContact CG2-CG 3.7Å; I68-V97 HydrophobicContact CD1-CG1 3.7Å; I68-F99 HydrophobicContact CD1-CE1 3.91Å; I68-F99 HydrophobicContact CD1-CZ 4.23Å
69K96.7Very high86.9Confident82 Ų8252.1 Ų52.136%0.35726%0.26SS..EExtended strand (participates in β ladder)trans-127.5118.2174.2168168.4167.3142.60109.8A46 V47 N71 G86A46-K69 CarbonylContact C-O 3.52Å; A46-K69 WeakPolarHBondContact CA-O 3.43Å; A46-K69 WeakPolarHBondContact CB-O 3.32Å; V47-K69 PolarHBondContact N-O 2.82Å; V47-K69 PolarHBondContact O-N 3.42Å; K69-N71 VanDerWaalsContact CE-OD1 3.27Å; K69-N71 WeakPolarHBondContact CE-OD1 3.47Å; K69-G86 WeakPolarHBondContact CE-O 3.4Å; K69-G86 PolarHBondContact NZ-O 3.15Å
70D96.2Very high89.1Confident1 Ų154.1 Ų54.11%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-72137.8172.5-170.821.1000110.3H45 S72 G75 T76 M83 N85 G86H45-D70 IonicContact CD2-OD1 2.63Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 2.92Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 PolarHBondContact OD2-OG 3.4Å; D70-G75 WeakPolarHBondContact OD2-CA 3.33Å; D70-T76 VanDerWaalsContact CG-N 3.29Å; D70-T76 VanDerWaalsContact CG-OG1 3.29Å; D70-T76 PolarHBondContact OD1-N 2.94Å; D70-T76 PolarHBondContact OD1-OG1 2.95Å; D70-T76 PolarHBondContact OD2-N 2.95Å; D70-M83 HydrophobicContact CB-CB 4.34Å; D70-M83 HydrophobicContact CB-CE 4.17Å; D70-M83 HydrophobicContact CB-SD 4.48Å; D70-N85 PolarHBondContact O-OD1 3.32Å; D70-G86 WeakPolarHBondContact O-CA 3.38Å; D70-G86 PolarHBondContact O-N 2.88Å
71N94.3Very high91.2Very high57 Ų5758.6 Ų58.631%0.30528%0.282SS..  trans-132.513.3171.3-60-56.3000110.8N44 H45 K69 N85N44-N71 PolarHBondContact OD1-ND2 3.07Å; H45-N71 CarbonylContact O-C 3.44Å; H45-N71 WeakPolarHBondContact O-CA 3.3Å; H45-N71 PolarHBondContact O-N 3.39Å; K69-N71 VanDerWaalsContact CE-OD1 3.27Å; K69-N71 WeakPolarHBondContact CE-OD1 3.47Å; N71-N85 WeakPolarHBondContact CA-OD1 3.35Å
72S93.8Very high92.9Very high11 Ų1158.6 Ų58.68%0.07728%0.276CS..  trans-86.7168.5-164.575.20000114H45 D70 G75H45-S72 VanDerWaalsContact CD2-CB 3.42Å; H45-S72 WeakPolarHBondContact CD2-CB 3.24Å; H45-S72 WeakPolarHBondContact NE2-CB 3.41Å; H45-S72 PolarHBondContact NE2-OG 3.44Å; H45-S72 PolarHBondContact O-N 2.92Å; H45-S72 VanDerWaalsContact O-N 3.15Å; D70-S72 WeakPolarHBondContact OD1-CB 3.4Å; D70-S72 PolarHBondContact OD1-N 2.92Å; D70-S72 PolarHBondContact OD1-OG 3.11Å; D70-S72 PolarHBondContact OD2-OG 3.4Å; S72-G75 VanDerWaalsContact OG-CA 3.27Å; S72-G75 WeakPolarHBondContact OG-CA 3.37Å; S72-G75 PolarHBondContact OG-N 3.32Å
73K92.9Very high93.8Very high156 Ų15655.3 Ų55.368%0.67826%0.261SS*.SBendtrans-79.6-32.2173.4179.2-178.4170.7-153.50112.6S42S42-K73 PolarHBondContact OG-N 3.25Å
74Y92.8Very high94.3Very high94 Ų9457.7 Ų57.737%0.36927%0.27SS..SBendtrans-104.4-23.4-168.5-69.3-89.7000113S40 K82 V101S40-Y74 WeakPolarHBondContact O-CD2 3.49Å; Y74-K82 PolarHBondContact O-NZ 3.01Å; Y74-V101 HydrophobicContact CD1-CG2 4.48Å
75G94.2Very high94.3Very high2 Ų262.7 Ų62.72%0.02130%0.297CS..  trans113.5142.2-178.700000112.2D70 S72 G100D70-G75 WeakPolarHBondContact OD2-CA 3.33Å; S72-G75 VanDerWaalsContact OG-CA 3.27Å; S72-G75 WeakPolarHBondContact OG-CA 3.37Å; S72-G75 PolarHBondContact OG-N 3.32Å; G75-G100 WeakPolarHBondContact O-CA 3.27Å; G75-G100 PolarHBondContact O-N 2.93Å
76T96.2Very high94.1Very high0 Ų060.8 Ų60.80%029%0.294CS..EExtended strand (participates in β ladder)trans-92.3143.7155.7-550000108.8H45 I68 D70 M83 V97 F99H45-T76 PolarHBondContact CD2-OG1 3.01Å; H45-T76 VanDerWaalsContact CD2-OG1 3.29Å; H45-T76 PolarHBondContact NE2-OG1 3.25Å; I68-T76 HydrophobicContact CD1-CG2 3.81Å; D70-T76 VanDerWaalsContact CG-N 3.29Å; D70-T76 VanDerWaalsContact CG-OG1 3.29Å; D70-T76 PolarHBondContact OD1-N 2.94Å; D70-T76 PolarHBondContact OD1-OG1 2.95Å; D70-T76 PolarHBondContact OD2-N 2.95Å; T76-M83 HydrophobicContact CG2-SD 3.81Å; T76-M83 WeakPolarHBondContact O-CB 3.31Å; T76-M83 PolarHBondContact O-N 2.71Å; T76-V97 HydrophobicContact CG2-CG1 3.84Å; T76-F99 HydrophobicContact CG2-CD1 3.94Å; T76-F99 HydrophobicContact CG2-CE1 4.04Å
77F95.4Very high93.9Very high47 Ų4765.2 Ų65.221%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-122.1140.1178.3-57.9-109.6000110E81 K82 V97 T98 G100 V101F77-E81 CarbonylContact C-O 3.54Å; F77-E81 WeakPolarHBondContact CA-O 3.46Å; F77-E81 WeakPolarHBondContact CB-O 3.22Å; F77-K82 HydrophobicContact CD1-CB 3.67Å; F77-K82 HydrophobicContact CD1-CG 4.22Å; F77-K82 HydrophobicContact CE1-CB 3.61Å; F77-K82 HydrophobicContact CE1-CD 3.95Å; F77-K82 HydrophobicContact CE1-CG 3.97Å; F77-K82 HydrophobicContact CG-CB 4.49Å; F77-K82 HydrophobicContact CZ-CB 4.38Å; F77-K82 HydrophobicContact CZ-CD 3.91Å; F77-K82 HydrophobicContact CZ-CG 4.25Å; F77-V97 CarbonylContact O-C 3.45Å; F77-V97 WeakPolarHBondContact O-CA 3.29Å; F77-T98 PolarHBondContact N-O 2.85Å; F77-T98 PolarHBondContact O-N 2.82Å; F77-G100 WeakPolarHBondContact CD2-O 3.36Å; F77-G100 VanDerWaalsContact CE2-O 3.22Å; F77-G100 WeakPolarHBondContact CE2-O 3.3Å; F77-V101 HydrophobicContact CE2-CG1 4.41Å
78V95.5Very high93.8Very high5 Ų568.2 Ų68.23%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-124.4123.5176-177.80000107.9E80 E81 M83 Y89 L91 D95 R96 V97V78-E80 PolarHBondContact O-N 3.49Å; V78-E81 PolarHBondContact N-O 2.7Å; V78-E81 WeakPolarHBondContact O-CB 3.35Å; V78-E81 PolarHBondContact O-N 3.39Å; V78-M83 HydrophobicContact CG2-CG 3.9Å; V78-M83 HydrophobicContact CG2-SD 3.78Å; V78-Y89 HydrophobicContact CB-CE1 4.4Å; V78-Y89 HydrophobicContact CG1-CE1 3.88Å; V78-Y89 HydrophobicContact CG2-CD1 4.41Å; V78-L91 HydrophobicContact CG1-CD2 3.72Å; V78-L91 HydrophobicContact CG2-CD2 3.99Å; V78-D95 HydrophobicContact CG1-CB 4.36Å; V78-R96 CarbonylContact C-O 3.56Å; V78-R96 WeakPolarHBondContact CA-O 3.4Å; V78-V97 HydrophobicContact CG2-CG2 4.43Å
79N93.4Very high93.7Very high79 Ų7972.7 Ų72.742%0.42235%0.354SS..THydrogen-bonded Turntrans49.142.6-174.1-59.2-33.7000112.4E81 D95 R96N79-E81 PolarHBondContact O-N 2.83Å; N79-E81 VanDerWaalsContact O-N 3.09Å; N79-D95 PolarHBondContact ND2-OD1 3Å; N79-R96 PolarHBondContact N-O 2.76Å; N79-R96 PolarHBondContact OD1-N 2.88Å
80E90.5Very high93.7Very high161 Ų16172.6 Ų72.675%0.75236%0.361SS*.THydrogen-bonded Turntrans69-10.1-178-54.4178.8-177.600115.4V78V78-E80 PolarHBondContact O-N 3.49Å
81E93.6Very high93.6Very high142 Ų14272.8 Ų72.866%0.66436%0.362SS*.EExtended strand (participates in β ladder)trans-75.7138169-170.1179.7-178.400111.4F77 V78 N79F77-E81 CarbonylContact C-O 3.54Å; F77-E81 WeakPolarHBondContact CA-O 3.46Å; F77-E81 WeakPolarHBondContact CB-O 3.22Å; V78-E81 PolarHBondContact N-O 2.7Å; V78-E81 WeakPolarHBondContact O-CB 3.35Å; V78-E81 PolarHBondContact O-N 3.39Å; N79-E81 PolarHBondContact O-N 2.83Å; N79-E81 VanDerWaalsContact O-N 3.09Å
82K94.2Very high93.6Very high115 Ų11577.1 Ų77.150%0.538%0.378SS..EExtended strand (participates in β ladder)trans-82125.7178.9-177.1163.8172.9160.30111.8Y74 F77Y74-K82 PolarHBondContact O-NZ 3.01Å; F77-K82 HydrophobicContact CD1-CB 3.67Å; F77-K82 HydrophobicContact CD1-CG 4.22Å; F77-K82 HydrophobicContact CE1-CB 3.61Å; F77-K82 HydrophobicContact CE1-CD 3.95Å; F77-K82 HydrophobicContact CE1-CG 3.97Å; F77-K82 HydrophobicContact CG-CB 4.49Å; F77-K82 HydrophobicContact CZ-CB 4.38Å; F77-K82 HydrophobicContact CZ-CD 3.91Å; F77-K82 HydrophobicContact CZ-CG 4.25Å
83M94.4Very high93.7Very high18 Ų1880.5 Ų80.59%0.08940%0.398CS..PPolyproline II helixtrans-64.6152.6175.5-71-176.157.900113.3I68 D70 T76 V78I68-M83 HydrophobicContact CD1-SD 4.4Å; I68-M83 HydrophobicContact CG1-SD 4.42Å; I68-M83 HydrophobicContact CG2-CE 3.92Å; I68-M83 HydrophobicContact CG2-SD 3.82Å; I68-M83 WeakPolarHBondContact O-CE 3.48Å; D70-M83 HydrophobicContact CB-CB 4.34Å; D70-M83 HydrophobicContact CB-CE 4.17Å; D70-M83 HydrophobicContact CB-SD 4.48Å; T76-M83 HydrophobicContact CG2-SD 3.81Å; T76-M83 WeakPolarHBondContact O-CB 3.31Å; T76-M83 PolarHBondContact O-N 2.71Å; V78-M83 HydrophobicContact CG2-CG 3.9Å; V78-M83 HydrophobicContact CG2-SD 3.78Å
84Q92.2Very high93.7Very high145 Ų14574.4 Ų74.468%0.67838%0.379SS*.PPolyproline II helixtrans-77.3119.6166.2-60.8-172.619.500110.1G86 L87Q84-G86 PolarHBondContact O-N 2.81Å; Q84-L87 HydrophobicContact CB-CD1 4.05Å; Q84-L87 PolarHBondContact O-N 2.81Å
85N91.4Very high93.8Very high106 Ų10670.7 Ų70.757%0.56737%0.366SS*.THydrogen-bonded Turntrans-60.2134-177.1-176.932.5000112D70 N71 L87D70-N85 PolarHBondContact O-OD1 3.32Å; N71-N85 WeakPolarHBondContact CA-OD1 3.35Å; N85-L87 VanDerWaalsContact C-N 3.31Å; N85-L87 PolarHBondContact O-N 3.48Å
86G88.9Confident93.9Very high26 Ų2678.2 Ų78.227%0.26839%0.394SS..THydrogen-bonded Turntrans84.2-11.3178.300000115.9K69 D70 Q84K69-G86 WeakPolarHBondContact CE-O 3.4Å; K69-G86 PolarHBondContact NZ-O 3.15Å; D70-G86 WeakPolarHBondContact O-CA 3.38Å; D70-G86 PolarHBondContact O-N 2.88Å; Q84-G86 PolarHBondContact O-N 2.81Å
87L92.8Very high93.8Very high93 Ų9378.3 Ų78.349%0.48739%0.394SS..SBendtrans-96.3145.7177-70.3174.7000111.9Q84 N85Q84-L87 HydrophobicContact CB-CD1 4.05Å; Q84-L87 PolarHBondContact O-N 2.81Å; N85-L87 VanDerWaalsContact C-N 3.31Å; N85-L87 PolarHBondContact O-N 3.48Å
88P93.8Very high93.8Very high92 Ų9277 Ų7760%0.59739%0.39SS*.EExtended strand (participates in β ladder)trans-77.8143.1171.333.2-33.4000111.2I68I68-P88 CarbonylContact O-C 3.58Å; I68-P88 WeakPolarHBondContact O-CA 3.19Å
89Y95.1Very high93.7Very high95 Ų9576.8 Ų76.837%0.37339%0.389SS..EExtended strand (participates in β ladder)trans-125.2140.2173.1-176.9-82000109T67 I68 V78 L91T67-Y89 CarbonylContact C-O 3.4Å; T67-Y89 VanDerWaalsContact CA-O 3.25Å; T67-Y89 WeakPolarHBondContact CA-O 3.41Å; I68-Y89 HydrophobicContact CG2-CD1 4.37Å; I68-Y89 PolarHBondContact N-O 3.29Å; I68-Y89 PolarHBondContact O-N 2.9Å; V78-Y89 HydrophobicContact CB-CE1 4.4Å; V78-Y89 HydrophobicContact CG1-CE1 3.88Å; V78-Y89 HydrophobicContact CG2-CD1 4.41Å; Y89-L91 HydrophobicContact CD1-CD2 4.18Å; Y89-L91 HydrophobicContact CE1-CD2 4.3Å
90T95.5Very high93.7Very high80 Ų8073.1 Ų73.149%0.49137%0.369SS..EExtended strand (participates in β ladder)trans-90.6119.1179.3-63.20000110.6I65I65-T90 HydrophobicContact CG2-CG2 3.5Å; I65-T90 VanDerWaalsContact CG2-CG2 3.5Å
91L95.3Very high93.6Very high4 Ų469.3 Ų69.32%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-86.8147179.6-69.6169.3000111.4L48 L66 I68 V78 Y89 D95 V97 V108L48-L91 HydrophobicContact CD2-CD1 3.9Å; L66-L91 HydrophobicContact CB-CB 4.47Å; L66-L91 HydrophobicContact CD2-CB 4.06Å; L66-L91 HydrophobicContact CD2-CD1 3.77Å; L66-L91 HydrophobicContact CG-CB 4.18Å; L66-L91 HydrophobicContact CG-CD1 4.04Å; L66-L91 PolarHBondContact O-N 3.05Å; I68-L91 HydrophobicContact CB-CD1 3.77Å; I68-L91 HydrophobicContact CB-CG 4.29Å; I68-L91 HydrophobicContact CD1-CD1 4.39Å; I68-L91 HydrophobicContact CG2-CD1 3.7Å; I68-L91 HydrophobicContact CG2-CD2 4.02Å; I68-L91 HydrophobicContact CG2-CG 3.7Å; V78-L91 HydrophobicContact CG1-CD2 3.72Å; V78-L91 HydrophobicContact CG2-CD2 3.99Å; Y89-L91 HydrophobicContact CD1-CD2 4.18Å; Y89-L91 HydrophobicContact CE1-CD2 4.3Å; L91-D95 HydrophobicContact CD2-CB 4.18Å; L91-V97 HydrophobicContact CD1-CG2 4.09Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; L91-V108 HydrophobicContact CB-CG1 4.46Å; L91-V108 HydrophobicContact CB-CG2 4.45Å; L91-V108 HydrophobicContact CD1-CG2 3.99Å; L91-V108 HydrophobicContact CD2-CG2 4.36Å
92K94.5Very high93.3Very high148 Ų14868.1 Ų68.164%0.64335%0.35SS*.  trans-109.2159.3175.7-63.2178-178176.60110.5G94 D95K92-G94 PolarHBondContact O-N 3.39Å; K92-D95 PolarHBondContact N-OD2 3.36Å; K92-D95 WeakPolarHBondContact O-CB 3.38Å; K92-D95 PolarHBondContact O-N 2.91Å
93T94.5Very high92.8Very high82 Ų8269.3 Ų69.350%0.50336%0.357SS..THydrogen-bonded Turntrans-64.8130.5172.2-168.60000109.7Y110T93-Y110 PolarHBondContact OG1-N 2.94Å
94G93.8Very high92.5Very high28 Ų2869.1 Ų69.129%0.28936%0.358SS..THydrogen-bonded Turntrans97.9-17.1-174.500000115.8K92 V108K92-G94 PolarHBondContact O-N 3.39Å; G94-V108 WeakPolarHBondContact CA-O 3.28Å; G94-V108 PolarHBondContact N-O 2.97Å
95D95.6Very high92.5Very high16 Ų1666 Ų669%0.08634%0.342CS..  trans-58.7145.7-178.1-80.2-17.3000112.7V78 N79 L91 K92 R107 V108V78-D95 HydrophobicContact CG1-CB 4.36Å; N79-D95 PolarHBondContact ND2-OD1 3Å; L91-D95 HydrophobicContact CD2-CB 4.18Å; K92-D95 PolarHBondContact N-OD2 3.36Å; K92-D95 WeakPolarHBondContact O-CB 3.38Å; K92-D95 PolarHBondContact O-N 2.91Å; D95-R107 CarbonylContact O-C 3.47Å; D95-R107 WeakPolarHBondContact O-CA 3.12Å; D95-V108 HydrophobicContact CB-CB 4.31Å; D95-V108 HydrophobicContact CB-CG2 4.11Å; D95-V108 PolarHBondContact O-N 3.39Å
96R95.1Very high92.6Very high161 Ų16162.1 Ų62.161%0.60832%0.32SS*.EExtended strand (participates in β ladder)trans-103.8114.9177-65.6-178.5174.9-161.4-2.3110.5V78 N79 F106V78-R96 CarbonylContact C-O 3.56Å; V78-R96 WeakPolarHBondContact CA-O 3.4Å; N79-R96 PolarHBondContact N-O 2.76Å; N79-R96 PolarHBondContact OD1-N 2.88Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.32Å
97V95.1Very high92.8Very high1 Ų165.6 Ų65.61%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-104.5128.3178.3-1760000109.7I68 T76 F77 V78 L91 F99 F106 V108I68-V97 HydrophobicContact CD1-CG1 3.7Å; T76-V97 HydrophobicContact CG2-CG1 3.84Å; F77-V97 CarbonylContact O-C 3.45Å; F77-V97 WeakPolarHBondContact O-CA 3.29Å; V78-V97 HydrophobicContact CG2-CG2 4.43Å; L91-V97 HydrophobicContact CD1-CG2 4.09Å; L91-V97 HydrophobicContact CD2-CG2 3.8Å; V97-F99 HydrophobicContact CB-CZ 4.49Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; V97-F99 HydrophobicContact CG1-CD2 4.4Å; V97-F99 HydrophobicContact CG1-CE1 3.82Å; V97-F99 HydrophobicContact CG1-CE2 3.84Å; V97-F99 HydrophobicContact CG1-CZ 3.52Å; V97-F106 PolarHBondContact N-O 3.23Å; V97-F106 PolarHBondContact O-N 3.45Å; V97-V108 HydrophobicContact CG2-CG2 3.76Å
98T94.6Very high92.9Very high20 Ų2061.2 Ų61.212%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-117.2125173.8-48.90000109.6F77 K105F77-T98 PolarHBondContact N-O 2.85Å; F77-T98 PolarHBondContact O-N 2.82Å; T98-K105 HydrophobicContact CG2-CG 3.77Å
99F93.9Very high93Very high1 Ų159.1 Ų59.10%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-97.4110.6179.1-61.6-75.7000110.2V26 I35 I41 H45 A46 I68 T76 V97 S104 F106V26-F99 HydrophobicContact CB-CE1 4.14Å; V26-F99 HydrophobicContact CB-CZ 4.4Å; V26-F99 HydrophobicContact CG1-CD1 3.94Å; V26-F99 HydrophobicContact CG1-CD2 4.18Å; V26-F99 HydrophobicContact CG1-CE1 3.87Å; V26-F99 HydrophobicContact CG1-CE2 4.13Å; V26-F99 HydrophobicContact CG1-CG 4.08Å; V26-F99 HydrophobicContact CG1-CZ 3.97Å; V26-F99 HydrophobicContact CG2-CE1 3.96Å; V26-F99 HydrophobicContact CG2-CZ 3.89Å; I35-F99 HydrophobicContact CD1-CB 4.13Å; I35-F99 HydrophobicContact CD1-CD2 3.58Å; I35-F99 HydrophobicContact CD1-CE2 4.25Å; I35-F99 HydrophobicContact CD1-CG 4.01Å; I41-F99 HydrophobicContact CD1-CB 3.79Å; I41-F99 HydrophobicContact CG1-CB 4.16Å; I41-F99 WeakPolarHBondContact CG1-O 3.47Å; H45-F99 AromaticContact CD2-CD1 3.8Å; A46-F99 HydrophobicContact CB-CD1 4.28Å; A46-F99 HydrophobicContact CB-CE1 3.87Å; I68-F99 HydrophobicContact CD1-CE1 3.91Å; I68-F99 HydrophobicContact CD1-CZ 4.23Å; T76-F99 HydrophobicContact CG2-CD1 3.94Å; T76-F99 HydrophobicContact CG2-CE1 4.04Å; V97-F99 HydrophobicContact CB-CZ 4.49Å; V97-F99 HydrophobicContact CG1-CD1 4.38Å; V97-F99 HydrophobicContact CG1-CD2 4.4Å; V97-F99 HydrophobicContact CG1-CE1 3.82Å; V97-F99 HydrophobicContact CG1-CE2 3.84Å; V97-F99 HydrophobicContact CG1-CZ 3.52Å; F99-S104 PolarHBondContact N-O 2.89Å; F99-S104 WeakPolarHBondContact O-CB 3.33Å; F99-F106 AromaticContact CD2-CD2 3.68Å; F99-F106 HydrophobicContact CD2-CD2 3.68Å; F99-F106 AromaticContact CD2-CE2 3.85Å; F99-F106 HydrophobicContact CD2-CE2 3.85Å; F99-F106 AromaticContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CE2 4.02Å; F99-F106 HydrophobicContact CE2-CG 4.29Å
100G92.9Very high92.9Very high1 Ų156 Ų561%0.0127%0.272CS..SBendtrans82.8-146.6-17800000112.8S40 H45 G75 F77S40-G100 WeakPolarHBondContact OG-CA 3.36Å; H45-G100 PolarHBondContact CE1-N 3.17Å; H45-G100 PolarHBondContact NE2-N 2.89Å; G75-G100 WeakPolarHBondContact O-CA 3.27Å; G75-G100 PolarHBondContact O-N 2.93Å; F77-G100 WeakPolarHBondContact CD2-O 3.36Å; F77-G100 VanDerWaalsContact CE2-O 3.22Å; F77-G100 WeakPolarHBondContact CE2-O 3.3Å
101V89.6Confident92.8Very high82 Ų8256 Ų5650%0.49727%0.267SS..SBendtrans-12518-168.9-61.80000114.4S40 Y74 F77S40-V101 PolarHBondContact OG-N 2.9Å; S40-V101 VanDerWaalsContact OG-N 3.08Å; Y74-V101 HydrophobicContact CD1-CG2 4.48Å; F77-V101 HydrophobicContact CE2-CG1 4.41Å
102F85.8Confident92.6Very high117 Ų11759.6 Ų59.651%0.51329%0.29SS..SBendtrans-123.6-167.6174.2-60.5-70.9000110.6S104F102-S104 PolarHBondContact O-N 2.67Å
103E83.3Confident92.6Very high140 Ų14053 Ų5365%0.65426%0.262SS*.SBendtrans-73.624.3-173.9-63.8-57.3118.600115.4K105E103-K105 PolarHBondContact O-N 3.41Å; E103-K105 WeakPolarHBondContact OE1-CE 3.42Å; E103-K105 IonicContact OE1-NZ 3.98Å; E103-K105 PolarHBondContact OE1-NZ 3.13Å; E103-K105 WeakPolarHBondContact OE2-CE 3.49Å; E103-K105 IonicContact OE2-NZ 2.8Å; E103-K105 PolarHBondContact OE2-NZ 3.49Å
104S89.5Confident92.5Very high14 Ų1449.7 Ų49.710%0.09824%0.242CC..  trans-77.160.1176.9-67.30000111.8D38 I41 F99 F102D38-S104 WeakPolarHBondContact OD2-CB 3.35Å; D38-S104 PolarHBondContact OD2-OG 2.96Å; I41-S104 WeakPolarHBondContact CD1-OG 3.28Å; F99-S104 PolarHBondContact N-O 2.89Å; F99-S104 WeakPolarHBondContact O-CB 3.33Å; F102-S104 PolarHBondContact O-N 2.67Å
105K91.3Very high92.5Very high80 Ų8048.5 Ų48.535%0.34823%0.229SC..EExtended strand (participates in β ladder)trans-103.1135.8-169.8-65.4172.3-176.5164.30111.6A7 T98 E103A7-K105 HydrophobicContact CB-CB 3.89Å; A7-K105 WeakPolarHBondContact CB-O 3.08Å; A7-K105 PolarHBondContact N-O 3.22Å; T98-K105 HydrophobicContact CG2-CG 3.77Å; E103-K105 PolarHBondContact O-N 3.41Å; E103-K105 WeakPolarHBondContact OE1-CE 3.42Å; E103-K105 IonicContact OE1-NZ 3.98Å; E103-K105 PolarHBondContact OE1-NZ 3.13Å; E103-K105 WeakPolarHBondContact OE2-CE 3.49Å; E103-K105 IonicContact OE2-NZ 2.8Å; E103-K105 PolarHBondContact OE2-NZ 3.49Å
106F93.1Very high92.5Very high24 Ų2447.8 Ų47.811%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-133151.9179.8-67.1-99000110.7L4 L5 P6 I35 R96 V97 F99L4-F106 HydrophobicContact CB-CD1 4.26Å; L4-F106 HydrophobicContact CD2-CB 4.46Å; L5-F106 CarbonylContact O-C 3.48Å; L5-F106 VanDerWaalsContact O-CA 3.24Å; L5-F106 WeakPolarHBondContact O-CA 3.36Å; P6-F106 HydrophobicContact CB-CD1 4.49Å; P6-F106 HydrophobicContact CB-CE1 4.28Å; P6-F106 HydrophobicContact CG-CD1 4.4Å; P6-F106 HydrophobicContact CG-CE1 4.04Å; I35-F106 HydrophobicContact CD1-CE2 3.62Å; I35-F106 HydrophobicContact CD1-CZ 4.01Å; I35-F106 HydrophobicContact CG1-CE2 4.14Å; I35-F106 HydrophobicContact CG1-CZ 4.04Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.32Å; V97-F106 PolarHBondContact N-O 3.23Å; V97-F106 PolarHBondContact O-N 3.45Å; F99-F106 AromaticContact CD2-CD2 3.68Å; F99-F106 HydrophobicContact CD2-CD2 3.68Å; F99-F106 AromaticContact CD2-CE2 3.85Å; F99-F106 HydrophobicContact CD2-CE2 3.85Å; F99-F106 AromaticContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CD2 3.61Å; F99-F106 HydrophobicContact CE2-CE2 4.02Å; F99-F106 HydrophobicContact CE2-CG 4.29Å
107R94.3Very high92.3Very high99 Ų9940.8 Ų40.837%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-108133.2165.9179.9167.7171.2-90.4-4.6109.7L5 D95 E109L5-R107 HydrophobicContact CB-CB 4.49Å; L5-R107 PolarHBondContact N-O 2.65Å; L5-R107 PolarHBondContact O-N 2.71Å; D95-R107 CarbonylContact O-C 3.47Å; D95-R107 WeakPolarHBondContact O-CA 3.12Å; R107-E109 IonicContact CZ-OE2 3.51Å; R107-E109 IonicContact NH1-OE2 3.06Å; R107-E109 PolarHBondContact NH1-OE2 2.88Å; R107-E109 IonicContact NH2-OE2 3.3Å
108V94.8Very high92.1Very high0 Ų040.8 Ų40.80%020%0.2CC..EExtended strand (participates in β ladder)trans-81.3136.9172.6-174.20000108.8W2 L4 L66 L91 G94 D95 V97W2-V108 HydrophobicContact CE3-CG1 3.52Å; W2-V108 HydrophobicContact CZ3-CG1 3.47Å; W2-V108 VanDerWaalsContact CZ3-CG1 3.47Å; L4-V108 HydrophobicContact CD2-CB 4.48Å; L4-V108 HydrophobicContact CD2-CG2 3.87Å; L66-V108 HydrophobicContact CD2-CG1 3.58Å; L91-V108 HydrophobicContact CB-CG1 4.46Å; L91-V108 HydrophobicContact CB-CG2 4.45Å; L91-V108 HydrophobicContact CD1-CG2 3.99Å; L91-V108 HydrophobicContact CD2-CG2 4.36Å; G94-V108 WeakPolarHBondContact CA-O 3.28Å; G94-V108 PolarHBondContact N-O 2.97Å; D95-V108 HydrophobicContact CB-CB 4.31Å; D95-V108 HydrophobicContact CB-CG2 4.11Å; D95-V108 PolarHBondContact O-N 3.39Å; V97-V108 HydrophobicContact CG2-CG2 3.76Å
109E94.8Very high91.7Very high48 Ų4841.6 Ų41.622%0.22421%0.206CC..EExtended strand (participates in β ladder)trans-139.4136.2170.7-169.4167107.200111K3 L5 R107K3-E109 VanDerWaalsContact CE-CD 3.49Å; K3-E109 WeakPolarHBondContact CE-OE1 3.44Å; K3-E109 HydrophobicContact CG-CB 4.04Å; K3-E109 PolarHBondContact N-O 3.36Å; K3-E109 IonicContact NZ-OE1 2.72Å; K3-E109 PolarHBondContact NZ-OE1 3.26Å; K3-E109 PolarHBondContact O-N 3.19Å; L5-E109 HydrophobicContact CD1-CB 4.13Å; R107-E109 IonicContact CZ-OE2 3.51Å; R107-E109 IonicContact NH1-OE2 3.06Å; R107-E109 PolarHBondContact NH1-OE2 2.88Å; R107-E109 IonicContact NH2-OE2 3.3Å
110Y93.8Very high91.3Very high30 Ų3042.2 Ų42.212%0.11821%0.21CC..EExtended strand (participates in β ladder)trans-98.1128.8166.6-180-105.3000109.5M1 W2 I63 P64 T93 P112M1-Y110 VanDerWaalsContact N-CE2 3.34Å; M1-Y110 VanDerWaalsContact O-CD2 3.31Å; M1-Y110 WeakPolarHBondContact O-CD2 3.34Å; W2-Y110 AromaticContact CD1-CD2 3.97Å; W2-Y110 AromaticContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CD2 3.91Å; W2-Y110 HydrophobicContact CD2-CG 4.49Å; W2-Y110 AromaticContact CE2-CD2 3.68Å; W2-Y110 HydrophobicContact CG-CD2 4.11Å; W2-Y110 HydrophobicContact CZ2-CD2 4.17Å; W2-Y110 HydrophobicContact CZ2-CG 4.44Å; W2-Y110 AromaticContact NE1-CD2 3.68Å; I63-Y110 HydrophobicContact CD1-CE1 4.15Å; I63-Y110 HydrophobicContact CG1-CE1 4.25Å; I63-Y110 HydrophobicContact CG2-CD1 4.37Å; I63-Y110 HydrophobicContact CG2-CD2 4.25Å; I63-Y110 HydrophobicContact CG2-CE1 3.94Å; I63-Y110 HydrophobicContact CG2-CE2 3.82Å; P64-Y110 HydrophobicContact CG-CE2 4.13Å; T93-Y110 PolarHBondContact OG1-N 2.94Å; Y110-P112 HydrophobicContact CD1-CG 4.27Å; Y110-P112 HydrophobicContact CE1-CB 4.25Å; Y110-P112 HydrophobicContact CE1-CG 4Å
111E93Very high91Very high80 Ų8046.4 Ų46.437%0.37423%0.232SC..  trans-112.4110.7176.6-170.3173.9137.900107.4M1 K3 L113M1-E111 PolarHBondContact N-O 3.02Å; M1-E111 PolarHBondContact O-N 2.9Å; K3-E111 WeakPolarHBondContact CE-OE2 3.33Å; K3-E111 IonicContact NZ-OE2 2.71Å; K3-E111 PolarHBondContact NZ-OE2 2.89Å; E111-L113 PolarHBondContact O-N 2.84Å
112P91.8Very high90.8Very high79 Ų7945.8 Ų45.851%0.51323%0.228SC..  trans-55.9138.9-179.6-26.735.2000111.9Y110 T148Y110-P112 HydrophobicContact CD1-CG 4.27Å; Y110-P112 HydrophobicContact CE1-CB 4.25Å; Y110-P112 HydrophobicContact CE1-CG 4Å; P112-T148 HydrophobicContact CB-CG2 4.46Å
113L93.3Very high90.9Very high11 Ų1143.7 Ų43.76%0.05823%0.228CC..  trans-141.767.7-179.4-168.267.8000109.6E111 V115 L135 G137 L138 F177 F180E111-L113 PolarHBondContact O-N 2.84Å; L113-V115 HydrophobicContact CG-CG2 4.37Å; L113-L135 HydrophobicContact CD2-CB 3.9Å; L113-L135 HydrophobicContact CD2-CD1 4.41Å; L113-G137 CarbonylContact O-C 3.55Å; L113-G137 WeakPolarHBondContact O-CA 3.31Å; L113-L138 PolarHBondContact O-N 2.82Å; L113-F177 HydrophobicContact CD1-CE1 4.13Å; L113-F177 HydrophobicContact CD2-CE1 4.49Å; L113-F177 HydrophobicContact CG-CE1 4.48Å; L113-F180 HydrophobicContact CD2-CE1 4.48Å
114V93.5Very high91.2Very high12 Ų1237.9 Ų37.97%0.07321%0.206CC..EExtended strand (participates in β ladder)trans-94.3129175-172.10000108.5L138 A140 E146 T148 H149V114-L138 WeakPolarHBondContact CA-O 3.38Å; V114-L138 HydrophobicContact CG2-CB 4.37Å; V114-L138 HydrophobicContact CG2-CD1 4.48Å; V114-A140 HydrophobicContact CG1-CB 4Å; V114-E146 WeakPolarHBondContact CB-O 3.37Å; V114-E146 HydrophobicContact CG2-CB 4.29Å; V114-T148 PolarHBondContact N-OG1 2.77Å; V114-T148 PolarHBondContact O-N 3Å; V114-T148 PolarHBondContact O-OG1 2.94Å; V114-H149 PolarHBondContact O-N 2.74Å
115V94.4Very high91.1Very high3 Ų339.7 Ų39.72%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-130.8125-169.7-175.80000110.1L113 I132 L138 T139 A140 H149 V151 F177L113-V115 HydrophobicContact CG-CG2 4.37Å; V115-I132 HydrophobicContact CB-CD1 3.7Å; V115-I132 HydrophobicContact CB-CG1 4.41Å; V115-I132 HydrophobicContact CG1-CD1 3.77Å; V115-I132 HydrophobicContact CG2-CD1 4.01Å; V115-I132 HydrophobicContact CG2-CG1 4.17Å; V115-I132 HydrophobicContact CG2-CG2 4.35Å; V115-L138 PolarHBondContact N-O 2.83Å; V115-T139 CarbonylContact O-C 3.57Å; V115-T139 WeakPolarHBondContact O-CA 3.15Å; V115-A140 PolarHBondContact O-N 3.47Å; V115-H149 HydrophobicContact CG1-CB 4.24Å; V115-H149 HydrophobicContact CG2-CB 4.38Å; V115-V151 HydrophobicContact CG1-CG2 3.37Å; V115-F177 HydrophobicContact CB-CZ 4.44Å; V115-F177 HydrophobicContact CG1-CE2 3.92Å; V115-F177 HydrophobicContact CG1-CZ 3.92Å; V115-F177 HydrophobicContact CG2-CE1 3.8Å; V115-F177 HydrophobicContact CG2-CE2 4.38Å; V115-F177 HydrophobicContact CG2-CZ 3.58Å
116C93.6Very high91Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-99.4149.9173.5-166.40000110.7A140 W143 H149 L150 V151C116-A140 WeakPolarHBondContact CA-O 3.38Å; C116-A140 HydrophobicContact CB-CB 4.46Å; C116-A140 PolarHBondContact SG-O 3.16Å; C116-W143 HydrophobicContact CB-CE3 3.62Å; C116-W143 HydrophobicContact CB-CZ3 3.83Å; C116-H149 PolarHBondContact N-O 3.19Å; C116-L150 HydrophobicContact CB-CD1 4.23Å; C116-V151 PolarHBondContact O-N 3.41Å
117S92.3Very high91Very high15 Ų1542.9 Ų42.911%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-119.8144.3175.166.90000112.9K160S117-K160 PolarHBondContact O-NZ 2.98Å
118S90.6Very high90.9Very high0 Ų038.3 Ų38.30%022%0.223CC..  trans-143.1143.7176.8-165.40000110.5L120 V151 T158S118-L120 PolarHBondContact O-N 3.45Å; S118-V151 PolarHBondContact N-O 3Å; S118-T158 WeakPolarHBondContact OG-CG2 3.36Å; S118-T158 PolarHBondContact OG-OG1 2.95Å
119C86.1Confident90.8Very high37 Ų3741.1 Ų41.125%0.2524%0.238CC..SBendtrans55.216.5-178-57.40000116.3M152 S736C119-M152 HydrophobicContact CB-CE 3.84Å; C119-S736 VanDerWaalsContact CA-OG 3.31Å; C119-S736 WeakPolarHBondContact CA-OG 3.37Å; C119-S736 PolarHBondContact N-OG 3.23Å
120L86.1Confident90.7Very high14 Ų1444.6 Ų44.67%0.07325%0.254CS..  trans-88.1144170.5-61.1-172.6000111.6S118 K125 L128 V151 A153 P174S118-L120 PolarHBondContact O-N 3.45Å; L120-K125 HydrophobicContact CB-CG 3.86Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; L120-K125 PolarHBondContact O-NZ 3.49Å; L120-L128 HydrophobicContact CD1-CD2 3.55Å; L120-V151 HydrophobicContact CD1-CB 4.41Å; L120-V151 HydrophobicContact CD1-CG1 4Å; L120-A153 HydrophobicContact CD2-CB 4.14Å; L120-P174 HydrophobicContact CD2-CG 4.34Å
121D85.9Confident90.7Very high89 Ų8943.4 Ų43.448%0.47625%0.251SS..  trans-75.4176.2172.484.3-64000111.9S123 G124 K125D121-S123 VanDerWaalsContact C-N 3.34Å; D121-S123 PolarHBondContact O-N 3.5Å; D121-S123 WeakPolarHBondContact OD2-CA 3.15Å; D121-S123 WeakPolarHBondContact OD2-CB 3.47Å; D121-S123 PolarHBondContact OD2-N 3.06Å; D121-S123 PolarHBondContact OD2-OG 2.99Å; D121-G124 WeakPolarHBondContact OD1-CA 3.34Å; D121-G124 PolarHBondContact OD1-N 3.39Å; D121-K125 WeakPolarHBondContact O-CB 3.41Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 2.83Å
122V85.9Confident90.8Very high69 Ų6939.7 Ų39.742%0.41823%0.233SC..Hα-helixtrans-64.6-36.1-178.6-179.70000112.3T126 R729V122-T126 WeakPolarHBondContact O-CG2 3.27Å; V122-T126 PolarHBondContact O-N 2.98Å; V122-T126 PolarHBondContact O-OG1 3.38Å; V122-R729 HydrophobicContact CG2-CG 3.91Å
123S87.7Confident90.8Very high74 Ų7440.6 Ų40.652%0.51723%0.233SC..Hα-helixtrans-76.4-39.5179.870.60000112.8D121 K125 T126 V127D121-S123 VanDerWaalsContact C-N 3.34Å; D121-S123 PolarHBondContact O-N 3.5Å; D121-S123 WeakPolarHBondContact OD2-CA 3.15Å; D121-S123 WeakPolarHBondContact OD2-CB 3.47Å; D121-S123 PolarHBondContact OD2-N 3.06Å; D121-S123 PolarHBondContact OD2-OG 2.99Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.19Å; S123-T126 PolarHBondContact O-N 3.43Å; S123-T126 PolarHBondContact O-OG1 2.75Å; S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 2.9Å
124G88.3Confident90.8Very high18 Ų1843 Ų4319%0.18625%0.245CC..Hα-helixtrans-60.1-42.4169.600000112.1D121 L128D121-G124 WeakPolarHBondContact OD1-CA 3.34Å; D121-G124 PolarHBondContact OD1-N 3.39Å; G124-L128 WeakPolarHBondContact O-CB 3.47Å; G124-L128 PolarHBondContact O-N 2.8Å
125K88.9Confident90.8Very high52 Ų5242.4 Ų42.423%0.22624%0.241CC..Hα-helixtrans-63.3-44.7176.1-76.8172.7176.31710113.1L120 D121 S123 L128 N129L120-K125 HydrophobicContact CB-CG 3.86Å; L120-K125 WeakPolarHBondContact O-CE 3.33Å; L120-K125 PolarHBondContact O-NZ 3.49Å; D121-K125 WeakPolarHBondContact O-CB 3.41Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 2.83Å; S123-K125 VanDerWaalsContact C-N 3.33Å; S123-K125 PolarHBondContact O-N 3.19Å; K125-L128 PolarHBondContact O-N 3.43Å; K125-N129 VanDerWaalsContact O-CB 3.3Å; K125-N129 WeakPolarHBondContact O-CB 3.21Å; K125-N129 PolarHBondContact O-N 3.18Å; K125-N129 PolarHBondContact O-OD1 3.28Å; K125-N129 VanDerWaalsContact O-OD1 3.14Å
126T89.6Confident90.7Very high86 Ų8642.3 Ų42.353%0.52824%0.24SC..Hα-helixtrans-67.6-41.2-179.251.20000112.6V122 S123 Q130V122-T126 WeakPolarHBondContact O-CG2 3.27Å; V122-T126 PolarHBondContact O-N 2.98Å; V122-T126 PolarHBondContact O-OG1 3.38Å; S123-T126 PolarHBondContact O-N 3.43Å; S123-T126 PolarHBondContact O-OG1 2.75Å; T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 PolarHBondContact O-N 3.44Å
127V92.1Very high90.6Very high85 Ų8542.4 Ų42.452%0.51524%0.242SC..Hα-helixtrans-63.6-44.8175174.10000111.2S123 Q130 A131S123-V127 WeakPolarHBondContact O-CG2 3.35Å; S123-V127 PolarHBondContact O-N 2.9Å; V127-Q130 PolarHBondContact O-N 2.61Å; V127-A131 PolarHBondContact O-N 3.19Å
128L93.3Very high90.6Very high3 Ų342.5 Ų42.52%0.01624%0.241CC..Hα-helixtrans-60.5-50.2177177.363000111.6L120 G124 K125 Q130 A131 I132 V151 F177L120-L128 HydrophobicContact CD1-CD2 3.55Å; G124-L128 WeakPolarHBondContact O-CB 3.47Å; G124-L128 PolarHBondContact O-N 2.8Å; K125-L128 PolarHBondContact O-N 3.43Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.48Å; L128-A131 PolarHBondContact O-N 3.14Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.61Å; L128-I132 WeakPolarHBondContact O-CD1 3.39Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 2.66Å; L128-V151 HydrophobicContact CD1-CG1 4.23Å; L128-V151 HydrophobicContact CD1-CG2 4.26Å; L128-V151 HydrophobicContact CD2-CB 3.78Å; L128-V151 HydrophobicContact CD2-CG1 3.76Å; L128-V151 HydrophobicContact CD2-CG2 4.03Å; L128-F177 HydrophobicContact CD1-CB 4.07Å; L128-F177 HydrophobicContact CD1-CD2 3.64Å; L128-F177 HydrophobicContact CD1-CE2 4.45Å; L128-F177 HydrophobicContact CD1-CG 4.04Å
129N91.9Very high90.5Very high59 Ų5944.1 Ų44.132%0.31625%0.251SS..Hα-helixtrans-61.8-39.6-179.4-70.59.7000111.6K125 I132 L133 T139K125-N129 VanDerWaalsContact O-CB 3.3Å; K125-N129 WeakPolarHBondContact O-CB 3.21Å; K125-N129 PolarHBondContact O-N 3.18Å; K125-N129 PolarHBondContact O-OD1 3.28Å; K125-N129 VanDerWaalsContact O-OD1 3.14Å; N129-I132 PolarHBondContact O-N 2.68Å; N129-L133 VanDerWaalsContact O-CB 3.32Å; N129-L133 WeakPolarHBondContact O-CB 2.87Å; N129-L133 PolarHBondContact O-N 3.15Å; N129-T139 HydrophobicContact CB-CG2 4.01Å; N129-T139 WeakPolarHBondContact OD1-CG2 3.39Å
130Q91.8Very high90.6Very high120 Ų12043.2 Ų43.256%0.56125%0.246SC*.Hα-helixtrans-61.9-46.2174.6-177.5-179-25.100111.6T126 V127 L128 I132 L133 Q134T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 PolarHBondContact O-N 3.44Å; V127-Q130 PolarHBondContact O-N 2.61Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 3.48Å; Q130-I132 PolarHBondContact O-N 2.67Å; Q130-L133 PolarHBondContact O-N 2.65Å; Q130-Q134 WeakPolarHBondContact O-CG 3.28Å; Q130-Q134 PolarHBondContact O-N 3.49Å
131A94.8Very high90.6Very high6 Ų649 Ų495%0.0528%0.277CS..Hα-helixtrans-63.5-42.2179.300000112.3V127 L128 Q134 L135 F177 L181V127-A131 PolarHBondContact O-N 3.19Å; L128-A131 PolarHBondContact O-N 3.14Å; A131-Q134 PolarHBondContact O-N 3.05Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.41Å; A131-L135 PolarHBondContact O-N 3.34Å; A131-F177 HydrophobicContact CB-CB 4.33Å; A131-L181 HydrophobicContact CB-CD2 4.38Å
132I94.4Very high90.6Very high1 Ų150.4 Ų50.41%0.00529%0.285CS..Hα-helixtrans-64.4-44177.1-66.4158.4000111.2V115 L128 N129 Q130 Q134 L135 G136 G137 T139 F177V115-I132 HydrophobicContact CB-CD1 3.7Å; V115-I132 HydrophobicContact CB-CG1 4.41Å; V115-I132 HydrophobicContact CG1-CD1 3.77Å; V115-I132 HydrophobicContact CG2-CD1 4.01Å; V115-I132 HydrophobicContact CG2-CG1 4.17Å; V115-I132 HydrophobicContact CG2-CG2 4.35Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.61Å; L128-I132 WeakPolarHBondContact O-CD1 3.39Å; L128-I132 WeakPolarHBondContact O-CG1 3.38Å; L128-I132 PolarHBondContact O-N 2.66Å; N129-I132 PolarHBondContact O-N 2.68Å; Q130-I132 PolarHBondContact O-N 2.67Å; I132-Q134 PolarHBondContact O-N 2.84Å; I132-L135 CarbonylContact O-C 3.54Å; I132-L135 PolarHBondContact O-N 2.98Å; I132-G136 PolarHBondContact O-N 2.82Å; I132-G137 VanDerWaalsContact CG2-C 3.45Å; I132-G137 PolarHBondContact O-N 2.8Å; I132-T139 HydrophobicContact CB-CG2 4.11Å; I132-T139 HydrophobicContact CD1-CG2 3.77Å; I132-T139 HydrophobicContact CG2-CG2 3.96Å; I132-F177 HydrophobicContact CG1-CD1 4.03Å; I132-F177 HydrophobicContact CG1-CE1 4.4Å; I132-F177 HydrophobicContact CG1-CG 4.22Å
133L92Very high90.8Very high98 Ų9848 Ų4851%0.51327%0.268SS..Hα-helixtrans-59-47.7175.7-173.8108.4000110.6A20 F52 N129 Q130 L135 G136A20-L133 WeakPolarHBondContact CB-O 3.47Å; F52-L133 HydrophobicContact CD2-CD1 4.28Å; F52-L133 HydrophobicContact CD2-CG 4.38Å; F52-L133 HydrophobicContact CE2-CD1 3.98Å; F52-L133 HydrophobicContact CE2-CG 3.8Å; F52-L133 WeakPolarHBondContact CE2-O 3.15Å; F52-L133 HydrophobicContact CZ-CD1 4.31Å; F52-L133 HydrophobicContact CZ-CG 4.32Å; N129-L133 VanDerWaalsContact O-CB 3.32Å; N129-L133 WeakPolarHBondContact O-CB 2.87Å; N129-L133 PolarHBondContact O-N 3.15Å; Q130-L133 PolarHBondContact O-N 2.65Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.83Å; L133-G136 PolarHBondContact O-N 2.84Å
134Q93.1Very high91Very high62 Ų6247.2 Ų47.229%0.2926%0.26SS..Hα-helixtrans-62.5-34.5176.7-69.4-178-90.800112.6L19 A20 Q130 A131 I132 G136 L181L19-Q134 CarbonylContact C-O 3.51Å; L19-Q134 VanDerWaalsContact CA-O 3.28Å; L19-Q134 WeakPolarHBondContact CA-O 3.31Å; L19-Q134 WeakPolarHBondContact CB-O 3.37Å; L19-Q134 WeakPolarHBondContact CD2-O 3.24Å; A20-Q134 PolarHBondContact N-O 3.03Å; Q130-Q134 WeakPolarHBondContact O-CG 3.28Å; Q130-Q134 PolarHBondContact O-N 3.49Å; A131-Q134 PolarHBondContact O-N 3.05Å; I132-Q134 PolarHBondContact O-N 2.84Å; Q134-G136 PolarHBondContact O-N 2.91Å; Q134-L181 HydrophobicContact CB-CD1 3.87Å; Q134-L181 HydrophobicContact CB-CD2 4.31Å
135L94.4Very high90.9Very high0 Ų053.2 Ų53.20%028%0.284CS..THydrogen-bonded Turntrans-71.4-3.6172.2-71.5165.8000114M1 L19 L113 A131 I132 L133 F177 F180 L181 V184M1-L135 VanDerWaalsContact CB-O 3.24Å; M1-L135 WeakPolarHBondContact CB-O 3.24Å; M1-L135 HydrophobicContact CE-CB 4.28Å; M1-L135 HydrophobicContact CE-CD2 3.58Å; M1-L135 WeakPolarHBondContact CE-O 3.47Å; M1-L135 VanDerWaalsContact CG-O 3.28Å; M1-L135 WeakPolarHBondContact CG-O 3.31Å; M1-L135 HydrophobicContact SD-CD2 4.37Å; L19-L135 HydrophobicContact CD2-CD2 3.95Å; L113-L135 HydrophobicContact CD2-CB 3.9Å; L113-L135 HydrophobicContact CD2-CD1 4.41Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.41Å; A131-L135 PolarHBondContact O-N 3.34Å; I132-L135 CarbonylContact O-C 3.54Å; I132-L135 PolarHBondContact O-N 2.98Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.83Å; L135-F177 HydrophobicContact CD1-CB 4.45Å; L135-F177 HydrophobicContact CD1-CD1 3.87Å; L135-F180 HydrophobicContact CD1-CB 4.49Å; L135-F180 HydrophobicContact CD1-CD1 3.74Å; L135-F180 HydrophobicContact CD1-CE1 4.27Å; L135-F180 HydrophobicContact CD1-CG 4.29Å; L135-F180 HydrophobicContact CD2-CD1 4.03Å; L135-F180 HydrophobicContact CD2-CD2 4.39Å; L135-F180 HydrophobicContact CD2-CE1 4.15Å; L135-F180 HydrophobicContact CD2-CE2 4.49Å; L135-F180 HydrophobicContact CD2-CG 4.15Å; L135-F180 HydrophobicContact CD2-CZ 4.37Å; L135-L181 HydrophobicContact CD2-CB 4.45Å; L135-L181 HydrophobicContact CD2-CD1 4.43Å; L135-L181 HydrophobicContact CG-CB 4.46Å; L135-L181 HydrophobicContact CG-CD1 4.43Å; L135-V184 HydrophobicContact CD2-CG2 4.39Å
136G92.3Very high91Very high0 Ų057.5 Ų57.50%030%0.304CS..THydrogen-bonded Turntrans65.344.3-17400000111.9M1 I132 L133 Q134M1-G136 VanDerWaalsContact CA-O 3.27Å; M1-G136 WeakPolarHBondContact CA-O 3.36Å; M1-G136 PolarHBondContact N-O 3.49Å; I132-G136 PolarHBondContact O-N 2.82Å; L133-G136 PolarHBondContact O-N 2.84Å; Q134-G136 PolarHBondContact O-N 2.91Å
137G91.9Very high91.1Very high3 Ų353.5 Ų53.53%0.03128%0.28CS..  trans-117.2-179.1170.200000112.5F52 L113 I132F52-G137 WeakPolarHBondContact CZ-O 3.27Å; L113-G137 CarbonylContact O-C 3.55Å; L113-G137 WeakPolarHBondContact O-CA 3.31Å; I132-G137 VanDerWaalsContact CG2-C 3.45Å; I132-G137 PolarHBondContact O-N 2.8Å
138L90.4Very high91.2Very high16 Ų1651.1 Ų51.18%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-125.2152.6-174.3-58.5179000111.1F52 A60 L113 V114 V115F52-L138 HydrophobicContact CD1-CD2 4.43Å; F52-L138 HydrophobicContact CE1-CD2 3.77Å; A60-L138 WeakPolarHBondContact O-CB 3.48Å; A60-L138 WeakPolarHBondContact O-CD2 2.89Å; L113-L138 PolarHBondContact O-N 2.82Å; V114-L138 WeakPolarHBondContact CA-O 3.38Å; V114-L138 HydrophobicContact CG2-CB 4.37Å; V114-L138 HydrophobicContact CG2-CD1 4.48Å; V115-L138 PolarHBondContact N-O 2.83Å
139T90.1Very high91.3Very high34 Ų3451.9 Ų51.921%0.20927%0.269CS..EExtended strand (participates in β ladder)trans-117.5110.6-174.954.40000111.3V115 N129 I132V115-T139 CarbonylContact O-C 3.57Å; V115-T139 WeakPolarHBondContact O-CA 3.15Å; N129-T139 HydrophobicContact CB-CG2 4.01Å; N129-T139 WeakPolarHBondContact OD1-CG2 3.39Å; I132-T139 HydrophobicContact CB-CG2 4.11Å; I132-T139 HydrophobicContact CD1-CG2 3.77Å; I132-T139 HydrophobicContact CG2-CG2 3.96Å
140A88.4Confident91.5Very high19 Ų1949.1 Ų49.116%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-94.5124.9-176.200000112V114 V115 C116 N142V114-A140 HydrophobicContact CG1-CB 4Å; V115-A140 PolarHBondContact O-N 3.47Å; C116-A140 WeakPolarHBondContact CA-O 3.38Å; C116-A140 HydrophobicContact CB-CB 4.46Å; C116-A140 PolarHBondContact SG-O 3.16Å; A140-N142 WeakPolarHBondContact CB-O 3.42Å
141N85.2Confident91.6Very high134 Ų13443.4 Ų43.472%0.71723%0.227SC*.SBendtrans-71.5-35.3177.7-74.9-31.7000112.7K160N141-K160 WeakPolarHBondContact O-CE 3.32Å; N141-K160 PolarHBondContact O-NZ 2.97Å
142N86.1Confident91.5Very high120 Ų12043.1 Ų43.164%0.64223%0.225SC*.SBendtrans-113.9166.8174.6-65.5-32.7000109.6A140A140-N142 WeakPolarHBondContact CB-O 3.42Å
143W90.9Very high91.4Very high17 Ų1745.7 Ų45.76%0.06425%0.247CC..  trans-82.4139.4174.4-166.8-85.8000111.5C116 C147 L150 C163 A164 C167 C169 F244C116-W143 HydrophobicContact CB-CE3 3.62Å; C116-W143 HydrophobicContact CB-CZ3 3.83Å; W143-C147 HydrophobicContact CD2-CB 3.75Å; W143-C147 HydrophobicContact CE3-CB 3.81Å; W143-C147 HydrophobicContact CG-CB 4.46Å; W143-C147 HydrophobicContact CH2-CB 3.6Å; W143-C147 WeakPolarHBondContact CH2-O 3.47Å; W143-C147 HydrophobicContact CZ2-CB 3.54Å; W143-C147 VanDerWaalsContact CZ2-O 3.25Å; W143-C147 WeakPolarHBondContact CZ2-O 3.44Å; W143-C147 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CE3-CD1 4.27Å; W143-L150 HydrophobicContact CH2-CB 4.27Å; W143-L150 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CZ3-CD1 4.07Å; W143-L150 HydrophobicContact CZ3-CG 4.42Å; W143-C163 HydrophobicContact CB-CB 3.92Å; W143-C163 HydrophobicContact CD2-CB 4.03Å; W143-C163 HydrophobicContact CG-CB 3.43Å; W143-C163 VanDerWaalsContact CG-CB 3.43Å; W143-A164 HydrophobicContact CE3-CB 4.38Å; W143-A164 HydrophobicContact CH2-CB 3.6Å; W143-A164 HydrophobicContact CZ2-CB 3.9Å; W143-A164 HydrophobicContact CZ3-CB 3.87Å; W143-C167 HydrophobicContact CZ2-CB 4.29Å; W143-C167 PolarHBondContact NE1-SG 3.26Å; W143-C169 HydrophobicContact CH2-CB 3.81Å; W143-C169 HydrophobicContact CZ2-CB 3.84Å; W143-F244 AromaticContact CD1-CE2 3.77Å
144T90.1Very high91.2Very high59 Ų5942.3 Ų42.336%0.36223%0.231SC..  trans-136.3164.3175.262.20000109.3E146 C147T144-E146 PolarHBondContact O-N 2.86Å; T144-C147 PolarHBondContact N-SG 3.03Å; T144-C147 VanDerWaalsContact N-SG 3.38Å; T144-C147 VanDerWaalsContact O-CB 3.24Å; T144-C147 WeakPolarHBondContact O-CB 3.14Å; T144-C147 PolarHBondContact O-N 3.19Å; T144-C147 PolarHBondContact OG1-SG 2.86Å
145E87.3Confident90.9Very high144 Ų14439.5 Ų39.567%0.67322%0.218SC*.THydrogen-bonded Turntrans-63.5-22.3177.2-59.4-165.7168.900113.3C147 F244E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.92Å; E145-F244 HydrophobicContact CG-CD1 3.79Å; E145-F244 HydrophobicContact CG-CE1 3.39Å; E145-F244 HydrophobicContact CG-CZ 4.14Å; E145-F244 WeakPolarHBondContact OE1-CD1 3.41Å; E145-F244 WeakPolarHBondContact OE1-CE1 3.32Å
146E89.9Confident90.6Very high142 Ų14242.2 Ų42.266%0.66423%0.23SC*.THydrogen-bonded Turntrans-73.8-16175.2-56.8-175.1-18000113.3V114 T144 T148V114-E146 WeakPolarHBondContact CB-O 3.37Å; V114-E146 HydrophobicContact CG2-CB 4.29Å; T144-E146 PolarHBondContact O-N 2.86Å; E146-T148 PolarHBondContact O-N 2.74Å
147C92.9Very high90.3Very high1 Ų142.3 Ų42.31%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-65.8106.5-177.5-730000111.8W143 T144 E145 C169W143-C147 HydrophobicContact CD2-CB 3.75Å; W143-C147 HydrophobicContact CE3-CB 3.81Å; W143-C147 HydrophobicContact CG-CB 4.46Å; W143-C147 HydrophobicContact CH2-CB 3.6Å; W143-C147 WeakPolarHBondContact CH2-O 3.47Å; W143-C147 HydrophobicContact CZ2-CB 3.54Å; W143-C147 VanDerWaalsContact CZ2-O 3.25Å; W143-C147 WeakPolarHBondContact CZ2-O 3.44Å; W143-C147 HydrophobicContact CZ3-CB 3.72Å; T144-C147 PolarHBondContact N-SG 3.03Å; T144-C147 VanDerWaalsContact N-SG 3.38Å; T144-C147 VanDerWaalsContact O-CB 3.24Å; T144-C147 WeakPolarHBondContact O-CB 3.14Å; T144-C147 PolarHBondContact O-N 3.19Å; T144-C147 PolarHBondContact OG1-SG 2.86Å; E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.92Å; C147-C169 PolarHBondContact O-SG 2.91Å
148T94.6Very high90.2Very high36 Ų3642.1 Ų42.122%0.22123%0.229CC..EExtended strand (participates in β ladder)trans-78.6-27-177.864.40000114P112 V114 E146 P170P112-T148 HydrophobicContact CB-CG2 4.46Å; V114-T148 PolarHBondContact N-OG1 2.77Å; V114-T148 PolarHBondContact O-N 3Å; V114-T148 PolarHBondContact O-OG1 2.94Å; E146-T148 PolarHBondContact O-N 2.74Å; T148-P170 WeakPolarHBondContact O-CD 3.5Å
149H94.8Very high90.1Very high19 Ų1942 Ų429%0.08823%0.228CC..EExtended strand (participates in β ladder)trans-143.9143.6-175.9-64.676.6000111.1V114 V115 C116 Y176 F177V114-H149 PolarHBondContact O-N 2.74Å; V115-H149 HydrophobicContact CG1-CB 4.24Å; V115-H149 HydrophobicContact CG2-CB 4.38Å; C116-H149 PolarHBondContact N-O 3.19Å; H149-Y176 AromaticContact NE2-CE1 3.81Å; H149-F177 HydrophobicContact CB-CE2 4.48Å; H149-F177 HydrophobicContact CB-CZ 4.01Å; H149-F177 AromaticContact CG-CZ 3.88Å
150L95.5Very high90.3Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-104.2136.2163.8-176.462.5000109.9C116 W143 M152 K160 A164 P170 I171 V172C116-L150 HydrophobicContact CB-CD1 4.23Å; W143-L150 HydrophobicContact CE3-CD1 4.27Å; W143-L150 HydrophobicContact CH2-CB 4.27Å; W143-L150 HydrophobicContact CZ3-CB 3.72Å; W143-L150 HydrophobicContact CZ3-CD1 4.07Å; W143-L150 HydrophobicContact CZ3-CG 4.42Å; L150-M152 HydrophobicContact CD2-CG 4.3Å; L150-M152 HydrophobicContact CD2-SD 3.96Å; L150-M152 HydrophobicContact CG-CG 4.13Å; L150-M152 HydrophobicContact CG-SD 4.44Å; L150-K160 HydrophobicContact CD1-CB 3.92Å; L150-A164 HydrophobicContact CB-CB 3.92Å; L150-A164 HydrophobicContact CD2-CB 3.87Å; L150-A164 HydrophobicContact CG-CB 4.5Å; L150-P170 PolarHBondContact N-O 3.32Å; L150-I171 HydrophobicContact CB-CG1 4.29Å; L150-I171 HydrophobicContact CB-CG2 4.33Å; L150-I171 HydrophobicContact CD2-CD1 4.26Å; L150-I171 HydrophobicContact CD2-CG1 4.15Å; L150-I171 HydrophobicContact CD2-CG2 4.14Å; L150-I171 HydrophobicContact CG-CG2 4.27Å; L150-I171 CarbonylContact O-C 3.59Å; L150-I171 WeakPolarHBondContact O-CA 3.18Å; L150-V172 PolarHBondContact O-N 3.36Å
151V95.4Very high90.4Very high0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-115.9124.5178.6-168.10000112V115 C116 S118 L120 L128 V172 P174 F177V115-V151 HydrophobicContact CG1-CG2 3.37Å; C116-V151 PolarHBondContact O-N 3.41Å; S118-V151 PolarHBondContact N-O 3Å; L120-V151 HydrophobicContact CD1-CB 4.41Å; L120-V151 HydrophobicContact CD1-CG1 4Å; L128-V151 HydrophobicContact CD1-CG1 4.23Å; L128-V151 HydrophobicContact CD1-CG2 4.26Å; L128-V151 HydrophobicContact CD2-CB 3.78Å; L128-V151 HydrophobicContact CD2-CG1 3.76Å; L128-V151 HydrophobicContact CD2-CG2 4.03Å; V151-V172 VanDerWaalsContact CA-O 3.31Å; V151-V172 WeakPolarHBondContact CA-O 3.48Å; V151-V172 HydrophobicContact CG2-CG2 4.08Å; V151-P174 VanDerWaalsContact CG1-CA 3.5Å; V151-P174 HydrophobicContact CG1-CB 3.8Å; V151-P174 HydrophobicContact CG1-CG 4.49Å; V151-F177 HydrophobicContact CG2-CD2 4.1Å; V151-F177 HydrophobicContact CG2-CE2 3.57Å
152M92.7Very high90.8Very high0 Ų034.2 Ų34.20%018%0.182CC..  trans-146.2146.3178.7-52.3-172.475.700110.6C119 L150 S154 K156 T158 T161 I171 V172C119-M152 HydrophobicContact CB-CE 3.84Å; L150-M152 HydrophobicContact CD2-CG 4.3Å; L150-M152 HydrophobicContact CD2-SD 3.96Å; L150-M152 HydrophobicContact CG-CG 4.13Å; L150-M152 HydrophobicContact CG-SD 4.44Å; M152-S154 WeakPolarHBondContact CB-O 3.25Å; M152-K156 HydrophobicContact CE-CB 4.29Å; M152-T158 HydrophobicContact CE-CG2 4.48Å; M152-T161 PolarHBondContact SD-OG1 2.85Å; M152-I171 HydrophobicContact CB-CG2 4.47Å; M152-I171 HydrophobicContact CG-CG2 4.16Å; M152-I171 HydrophobicContact SD-CG2 4.23Å; M152-V172 PolarHBondContact N-O 2.84Å
153A90.9Very high91.2Very high56 Ų5628.6 Ų28.646%0.46315%0.151SC..SBendtrans-76.4-37.9174.100000112.4L120L120-A153 HydrophobicContact CD2-CB 4.14Å
154S88.1Confident91.3Very high26 Ų2627.8 Ų27.818%0.18215%0.148CC..SBendtrans-137.1148.8166.959.90000109.2M152 K156 P199 D201M152-S154 WeakPolarHBondContact CB-O 3.25Å; S154-K156 PolarHBondContact O-N 3.04Å; S154-P199 CarbonylContact C-O 3.6Å; S154-P199 VanDerWaalsContact CA-O 3.31Å; S154-P199 WeakPolarHBondContact CA-O 3.26Å; S154-P199 WeakPolarHBondContact CB-O 3.39Å; S154-D201 WeakPolarHBondContact OG-CB 3.46Å; S154-D201 PolarHBondContact OG-OD2 3.4Å
155V87.6Confident91.5Very high4 Ų425 Ų252%0.02413%0.132CC..BIsolated β-bridgetrans-75.7122.7178.7-171.80000109.5T161 I171 P198 P199 D201 L212V155-T161 HydrophobicContact CG1-CG2 3.97Å; V155-I171 HydrophobicContact CG2-CG2 4.44Å; V155-P198 HydrophobicContact CG2-CB 4.19Å; V155-P198 HydrophobicContact CG2-CG 3.71Å; V155-P199 PolarHBondContact N-O 3.43Å; V155-D201 CarbonylContact O-C 3.52Å; V155-D201 PolarHBondContact O-N 2.7Å; V155-L212 HydrophobicContact CB-CD1 4.32Å; V155-L212 HydrophobicContact CG1-CD1 3.97Å; V155-L212 HydrophobicContact CG2-CD1 4.07Å
156K87Confident91.9Very high56 Ų5618.2 Ų18.224%0.24310%0.1CC..  trans-123.5149.6164.4-54.5-164.8-179.2-151.20107.7M152 S154 T158 T161 D201M152-K156 HydrophobicContact CE-CB 4.29Å; S154-K156 PolarHBondContact O-N 3.04Å; K156-T158 PolarHBondContact O-N 2.87Å; K156-T161 WeakPolarHBondContact O-CB 3.33Å; K156-T161 PolarHBondContact O-OG1 2.79Å; K156-D201 WeakPolarHBondContact CE-OD2 3.43Å; K156-D201 IonicContact NZ-OD2 3.77Å; K156-D201 PolarHBondContact NZ-OD2 2.81Å
157V85.8Confident92Very high2 Ų212.3 Ų12.31%0.0127%0.074CC..  trans-86.775.3-174.2-169.30000110.1I162 E202 I205 I315 L741 F742V157-I162 HydrophobicContact CG1-CD1 3.39Å; V157-I162 HydrophobicContact CG1-CG1 3.77Å; V157-E202 HydrophobicContact CG2-CB 4.45Å; V157-E202 HydrophobicContact CG2-CG 3.83Å; V157-E202 PolarHBondContact N-OE2 2.91Å; V157-I205 HydrophobicContact CG2-CD1 3.83Å; V157-I315 HydrophobicContact CB-CD1 4.18Å; V157-I315 HydrophobicContact CG1-CD1 3.61Å; V157-I315 HydrophobicContact CG2-CD1 3.53Å; V157-L741 HydrophobicContact CG1-CD1 4.4Å; V157-L741 WeakPolarHBondContact O-CB 3.17Å; V157-L741 PolarHBondContact O-N 2.94Å; V157-F742 HydrophobicContact CB-CD2 3.62Å; V157-F742 HydrophobicContact CB-CE2 3.52Å; V157-F742 HydrophobicContact CG1-CD2 4.08Å; V157-F742 HydrophobicContact CG1-CE2 3.48Å; V157-F742 VanDerWaalsContact CG1-CE2 3.48Å; V157-F742 HydrophobicContact CG1-CZ 4.47Å; V157-F742 HydrophobicContact CG2-CD2 4.37Å; V157-F742 HydrophobicContact CG2-CE2 4.21Å
158T89.8Confident92Very high0 Ų013.2 Ų13.20%08%0.083CC..BIsolated β-bridgetrans-79162.916761.60000110.9S118 M152 K156 K160 T161 I162 D739S118-T158 WeakPolarHBondContact OG-CG2 3.36Å; S118-T158 PolarHBondContact OG-OG1 2.95Å; M152-T158 HydrophobicContact CE-CG2 4.48Å; K156-T158 PolarHBondContact O-N 2.87Å; T158-K160 PolarHBondContact O-N 3.23Å; T158-T161 WeakPolarHBondContact O-CA 3.3Å; T158-T161 VanDerWaalsContact O-CB 3.28Å; T158-T161 WeakPolarHBondContact O-CB 3.38Å; T158-T161 PolarHBondContact O-N 3.24Å; T158-T161 PolarHBondContact OG1-N 2.85Å; T158-T161 PolarHBondContact OG1-OG1 3.37Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.07Å; T158-D739 CarbonylContact C-O 3.44Å; T158-D739 WeakPolarHBondContact CA-O 3.45Å; T158-D739 HydrophobicContact CG2-CB 4.06Å
159I90.1Very high91.9Very high12 Ų1212.7 Ų12.76%0.0628%0.081CC..Hα-helixtrans-55.2-35.7173-171.951.8000112.7I162 C163 K237 L238 A241 D739I159-I162 HydrophobicContact CD1-CB 4.5Å; I159-I162 WeakPolarHBondContact O-CB 3.2Å; I159-I162 PolarHBondContact O-N 3.14Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.49Å; I159-K237 HydrophobicContact CB-CG 4.4Å; I159-K237 HydrophobicContact CG1-CG 4.38Å; I159-K237 WeakPolarHBondContact CG1-O 3.19Å; I159-K237 HydrophobicContact CG2-CG 4.27Å; I159-L238 HydrophobicContact CD1-CD2 3.91Å; I159-A241 HydrophobicContact CD1-CB 3.54Å; I159-D739 HydrophobicContact CG2-CB 4.44Å; I159-D739 WeakPolarHBondContact CG2-OD1 3.42Å; I159-D739 PolarHBondContact N-O 2.82Å
160K92.3Very high91.9Very high24 Ų2413.5 Ų13.510%0.1049%0.088CC..Hα-helixtrans-63.9-40.3174.3-69.9166.4175168.30112.6S117 N141 L150 T158 I162 C163 A164 D739S117-K160 PolarHBondContact O-NZ 2.98Å; N141-K160 WeakPolarHBondContact O-CE 3.32Å; N141-K160 PolarHBondContact O-NZ 2.97Å; L150-K160 HydrophobicContact CD1-CB 3.92Å; T158-K160 PolarHBondContact O-N 3.23Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-C163 PolarHBondContact O-N 3.01Å; K160-A164 WeakPolarHBondContact O-CB 3.46Å; K160-A164 PolarHBondContact O-N 2.96Å; K160-D739 IonicContact NZ-OD2 3.07Å
161T92.1Very high91.8Very high0 Ų014 Ų140%09%0.091CC..Hα-helixtrans-59.7-43.8172.3-610000111.1M152 V155 K156 T158 A164 L165 I171M152-T161 PolarHBondContact SD-OG1 2.85Å; V155-T161 HydrophobicContact CG1-CG2 3.97Å; K156-T161 WeakPolarHBondContact O-CB 3.33Å; K156-T161 PolarHBondContact O-OG1 2.79Å; T158-T161 WeakPolarHBondContact O-CA 3.3Å; T158-T161 VanDerWaalsContact O-CB 3.28Å; T158-T161 WeakPolarHBondContact O-CB 3.38Å; T158-T161 PolarHBondContact O-N 3.24Å; T158-T161 PolarHBondContact OG1-N 2.85Å; T158-T161 PolarHBondContact OG1-OG1 3.37Å; T161-A164 PolarHBondContact O-N 2.86Å; T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.05Å; T161-I171 HydrophobicContact CG2-CD1 3.93Å
162I92.8Very high91.8Very high1 Ų114 Ų141%0.0059%0.091CC..Hα-helixtrans-62.9-49.6176.4-65.9-50.3000111.7V157 T158 I159 K160 A164 L165 I166 A241 V314 I315 L741V157-I162 HydrophobicContact CG1-CD1 3.39Å; V157-I162 HydrophobicContact CG1-CG1 3.77Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.07Å; I159-I162 HydrophobicContact CD1-CB 4.5Å; I159-I162 WeakPolarHBondContact O-CB 3.2Å; I159-I162 PolarHBondContact O-N 3.14Å; K160-I162 VanDerWaalsContact C-N 3.32Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.88Å; I162-L165 HydrophobicContact CD1-CD1 4.5Å; I162-L165 PolarHBondContact O-N 3.39Å; I162-I166 HydrophobicContact CG2-CD1 3.83Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.02Å; I162-A241 HydrophobicContact CG2-CB 3.96Å; I162-V314 HydrophobicContact CD1-CB 4.18Å; I162-V314 HydrophobicContact CD1-CG1 4.21Å; I162-V314 HydrophobicContact CG2-CB 4.22Å; I162-V314 HydrophobicContact CG2-CG1 4.17Å; I162-V314 HydrophobicContact CG2-CG2 3.91Å; I162-I315 HydrophobicContact CD1-CD1 4.3Å; I162-I315 HydrophobicContact CD1-CG1 4.23Å; I162-L741 HydrophobicContact CG1-CD1 3.55Å
163C94.2Very high91.9Very high1 Ų117.1 Ų17.11%0.00710%0.104CC..Hα-helixtrans-61-41.2177.9-59.80000112.4W143 I159 K160 I166 C167 F244W143-C163 HydrophobicContact CB-CB 3.92Å; W143-C163 HydrophobicContact CD2-CB 4.03Å; W143-C163 HydrophobicContact CG-CB 3.43Å; W143-C163 VanDerWaalsContact CG-CB 3.43Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.49Å; K160-C163 PolarHBondContact O-N 3.01Å; C163-I166 PolarHBondContact O-N 2.62Å; C163-C167 WeakPolarHBondContact O-CB 3.35Å; C163-C167 PolarHBondContact O-N 3.42Å; C163-C167 PolarHBondContact O-SG 3.45Å; C163-F244 HydrophobicContact CB-CD2 4.09Å; C163-F244 HydrophobicContact CB-CE2 4.3Å
164A94.3Very high92.1Very high0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-61.2-45.417600000112.5W143 L150 K160 T161 I162 I166 C167 G168 C169 I171W143-A164 HydrophobicContact CE3-CB 4.38Å; W143-A164 HydrophobicContact CH2-CB 3.6Å; W143-A164 HydrophobicContact CZ2-CB 3.9Å; W143-A164 HydrophobicContact CZ3-CB 3.87Å; L150-A164 HydrophobicContact CB-CB 3.92Å; L150-A164 HydrophobicContact CD2-CB 3.87Å; L150-A164 HydrophobicContact CG-CB 4.5Å; K160-A164 WeakPolarHBondContact O-CB 3.46Å; K160-A164 PolarHBondContact O-N 2.96Å; T161-A164 PolarHBondContact O-N 2.86Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.88Å; A164-I166 VanDerWaalsContact C-N 3.29Å; A164-I166 PolarHBondContact O-N 2.73Å; A164-C167 PolarHBondContact O-N 3.11Å; A164-G168 PolarHBondContact O-N 2.71Å; A164-C169 PolarHBondContact O-N 3.13Å; A164-I171 HydrophobicContact CB-CG1 4.45Å
165L93.5Very high92.4Very high2 Ų219 Ų191%0.0110%0.102CC..Hα-helixtrans-62.8-34.3176.4-71.5170.6000112.7T161 I162 I171 L212 R218 V314 I315T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.24Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.05Å; I162-L165 HydrophobicContact CD1-CD1 4.5Å; I162-L165 PolarHBondContact O-N 3.39Å; L165-I171 HydrophobicContact CD2-CD1 4.34Å; L165-I171 HydrophobicContact CG-CD1 4.39Å; L165-L212 HydrophobicContact CD1-CD2 3.88Å; L165-L212 HydrophobicContact CD2-CB 4.07Å; L165-L212 HydrophobicContact CD2-CD2 3.97Å; L165-L212 WeakPolarHBondContact CD2-O 3.45Å; L165-R218 WeakPolarHBondContact O-CD 3.42Å; L165-R218 PolarHBondContact O-NH1 2.74Å; L165-V314 HydrophobicContact CB-CG1 4.09Å; L165-I315 HydrophobicContact CD1-CG1 4.36Å
166I94.8Very high92.8Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-71.7-52175.6-69.1172.8000111I162 C163 A164 G168 R218 K219 F222 A241 F244 V314I162-I166 HydrophobicContact CG2-CD1 3.83Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 3.02Å; C163-I166 PolarHBondContact O-N 2.62Å; A164-I166 VanDerWaalsContact C-N 3.29Å; A164-I166 PolarHBondContact O-N 2.73Å; I166-G168 PolarHBondContact O-N 3.46Å; I166-G168 VanDerWaalsContact O-N 3.14Å; I166-R218 HydrophobicContact CG1-CB 4.43Å; I166-K219 WeakPolarHBondContact O-CG 3.35Å; I166-F222 HydrophobicContact CD1-CE2 4.37Å; I166-A241 HydrophobicContact CD1-CB 4.28Å; I166-A241 VanDerWaalsContact CD1-O 3.22Å; I166-A241 WeakPolarHBondContact CD1-O 3.49Å; I166-F244 HydrophobicContact CG2-CB 3.66Å; I166-F244 WeakPolarHBondContact CG2-O 3.27Å; I166-V314 HydrophobicContact CD1-CG1 4.28Å; I166-V314 HydrophobicContact CD1-CG2 3.78Å; I166-V314 HydrophobicContact CG1-CG1 3.67Å; I166-V314 HydrophobicContact CG1-CG2 4Å
167C93.1Very high93.3Very high19 Ų1916.9 Ų16.913%0.1289%0.092CC..Hα-helixtrans-61.6-23.1177.8-65.80000112.4W143 C163 A164 K219W143-C167 HydrophobicContact CZ2-CB 4.29Å; W143-C167 PolarHBondContact NE1-SG 3.26Å; C163-C167 WeakPolarHBondContact O-CB 3.35Å; C163-C167 PolarHBondContact O-N 3.42Å; C163-C167 PolarHBondContact O-SG 3.45Å; A164-C167 PolarHBondContact O-N 3.11Å; C167-K219 VanDerWaalsContact C-CE 3.49Å; C167-K219 WeakPolarHBondContact O-CE 3.48Å; C167-K219 PolarHBondContact O-NZ 2.88Å
168G92.8Very high93.7Very high19 Ų1918.3 Ų18.320%0.19610%0.102CC..THydrogen-bonded Turntrans86.819-177.500000113.2A164 I166A164-G168 PolarHBondContact O-N 2.71Å; I166-G168 PolarHBondContact O-N 3.46Å; I166-G168 VanDerWaalsContact O-N 3.14Å
169C93.1Very high94Very high25 Ų2522 Ų2217%0.16912%0.12CC..PPolyproline II helixtrans-87.1142.6-174.5-610000111.5W143 C147 A164W143-C169 HydrophobicContact CH2-CB 3.81Å; W143-C169 HydrophobicContact CZ2-CB 3.84Å; C147-C169 PolarHBondContact O-SG 2.91Å; A164-C169 PolarHBondContact O-N 3.13Å
170P93.4Very high94.3Very high37 Ų3722 Ų2224%0.2412%0.119CC..PPolyproline II helixtrans-66.1142.6-178.927.5-36.5000113T148 L150 V172 I193T148-P170 WeakPolarHBondContact O-CD 3.5Å; L150-P170 PolarHBondContact N-O 3.32Å; P170-V172 HydrophobicContact CB-CG1 4.32Å; P170-I193 HydrophobicContact CB-CG2 3.99Å
171I93.9Very high94.4Very high11 Ų1121.7 Ų21.76%0.05612%0.119CC..EExtended strand (participates in β ladder)trans-100.9119.4169.7-46.8179.1000107.8L150 M152 V155 T161 A164 L165 Y197 P198L150-I171 HydrophobicContact CB-CG1 4.29Å; L150-I171 HydrophobicContact CB-CG2 4.33Å; L150-I171 HydrophobicContact CD2-CD1 4.26Å; L150-I171 HydrophobicContact CD2-CG1 4.15Å; L150-I171 HydrophobicContact CD2-CG2 4.14Å; L150-I171 HydrophobicContact CG-CG2 4.27Å; L150-I171 CarbonylContact O-C 3.59Å; L150-I171 WeakPolarHBondContact O-CA 3.18Å; M152-I171 HydrophobicContact CB-CG2 4.47Å; M152-I171 HydrophobicContact CG-CG2 4.16Å; M152-I171 HydrophobicContact SD-CG2 4.23Å; V155-I171 HydrophobicContact CG2-CG2 4.44Å; T161-I171 HydrophobicContact CG2-CD1 3.93Å; A164-I171 HydrophobicContact CB-CG1 4.45Å; L165-I171 HydrophobicContact CD2-CD1 4.34Å; L165-I171 HydrophobicContact CG-CD1 4.39Å; I171-Y197 WeakPolarHBondContact O-CD1 3.45Å; I171-P198 HydrophobicContact CG2-CG 3.91Å; I171-P198 WeakPolarHBondContact O-CD 3.32Å
172V95.1Very high94.6Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-127.3157.8-173.6-60.80000112.6L150 V151 M152 P170 Y176 F177 I193L150-V172 PolarHBondContact O-N 3.36Å; V151-V172 VanDerWaalsContact CA-O 3.31Å; V151-V172 WeakPolarHBondContact CA-O 3.48Å; V151-V172 HydrophobicContact CG2-CG2 4.08Å; M152-V172 PolarHBondContact N-O 2.84Å; P170-V172 HydrophobicContact CB-CG1 4.32Å; V172-Y176 HydrophobicContact CB-CG 4.46Å; V172-Y176 HydrophobicContact CG2-CD1 4.02Å; V172-Y176 HydrophobicContact CG2-CG 4.4Å; V172-F177 HydrophobicContact CG2-CE2 3.86Å; V172-I193 HydrophobicContact CG1-CG2 3.86Å
173K95Very high94.6Very high65 Ų6526.8 Ų26.828%0.28314%0.142SC..  trans-70.3149.8168.2-73.5171.8-174.4156.40111.9E175 Y176 F196 Y197 P198K173-E175 WeakPolarHBondContact CB-OE2 3.2Å; K173-E175 PolarHBondContact O-N 2.78Å; K173-Y176 VanDerWaalsContact O-CB 3.29Å; K173-Y176 WeakPolarHBondContact O-CB 3.43Å; K173-Y176 PolarHBondContact O-N 2.91Å; K173-Y176 VanDerWaalsContact O-N 3.13Å; K173-F196 WeakPolarHBondContact CB-O 3.38Å; K173-F196 VanDerWaalsContact CG-O 3.28Å; K173-F196 WeakPolarHBondContact CG-O 3.33Å; K173-F196 PolarHBondContact N-O 2.81Å; K173-Y197 WeakPolarHBondContact CE-O 3.18Å; K173-Y197 PolarHBondContact NZ-O 2.95Å; K173-P198 HydrophobicContact CG-CB 3.99Å
174P94.5Very high94.5Very high21 Ų2127.4 Ų27.414%0.13615%0.146CC..THydrogen-bonded Turntrans-62.8-24.817925.9-34.1000113.8L120 V151 Y176 F177L120-P174 HydrophobicContact CD2-CG 4.34Å; V151-P174 VanDerWaalsContact CG1-CA 3.5Å; V151-P174 HydrophobicContact CG1-CB 3.8Å; V151-P174 HydrophobicContact CG1-CG 4.49Å; P174-Y176 PolarHBondContact O-N 2.82Å; P174-F177 PolarHBondContact O-N 3.2Å
175E95.1Very high94.4Very high101 Ų10133 Ų3347%0.47217%0.172SC..Hα-helixtrans-61.6-24.8175.6-66.773.8-163.100113K173 F177 S178 E179 F196K173-E175 WeakPolarHBondContact CB-OE2 3.2Å; K173-E175 PolarHBondContact O-N 2.78Å; E175-F177 PolarHBondContact O-N 2.93Å; E175-S178 WeakPolarHBondContact O-CB 3.41Å; E175-S178 PolarHBondContact O-N 2.79Å; E175-S178 VanDerWaalsContact O-N 3.11Å; E175-E179 PolarHBondContact O-N 2.78Å; E175-F196 HydrophobicContact CB-CD1 4.15Å; E175-F196 HydrophobicContact CB-CE1 3.91Å
176Y96.7Very high94.3Very high15 Ų1535.9 Ų35.96%0.05919%0.193CC..Hα-helixtrans-55-49.9178.4171.9-108.9000112H149 V172 K173 P174 S178 E179 F180 P191 I193 F196H149-Y176 AromaticContact NE2-CE1 3.81Å; V172-Y176 HydrophobicContact CB-CG 4.46Å; V172-Y176 HydrophobicContact CG2-CD1 4.02Å; V172-Y176 HydrophobicContact CG2-CG 4.4Å; K173-Y176 VanDerWaalsContact O-CB 3.29Å; K173-Y176 WeakPolarHBondContact O-CB 3.43Å; K173-Y176 PolarHBondContact O-N 2.91Å; K173-Y176 VanDerWaalsContact O-N 3.13Å; P174-Y176 PolarHBondContact O-N 2.82Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.08Å; Y176-E179 PolarHBondContact O-N 3.29Å; Y176-F180 VanDerWaalsContact O-CB 3.3Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 2.93Å; Y176-P191 HydrophobicContact CD2-CB 4.32Å; Y176-P191 HydrophobicContact CD2-CG 3.83Å; Y176-P191 HydrophobicContact CE2-CB 4.36Å; Y176-P191 HydrophobicContact CE2-CG 3.77Å; Y176-I193 HydrophobicContact CE2-CB 4.5Å; Y176-I193 HydrophobicContact CE2-CG1 3.64Å; Y176-I193 WeakPolarHBondContact OH-CG1 3.49Å; Y176-F196 VanDerWaalsContact CA-CD1 3.47Å; Y176-F196 HydrophobicContact CD2-CB 4.22Å; Y176-F196 AromaticContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CG 4.02Å; Y176-F196 HydrophobicContact CG-CB 4.39Å; Y176-F196 HydrophobicContact CG-CG 4.36Å; Y176-F196 VanDerWaalsContact N-CD1 3.34Å
177F96.6Very high93.9Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-68.8-29.9179.4-70.1-79.5000112.4L113 V115 L128 A131 I132 L135 H149 V151 V172 P174 E175 L181L113-F177 HydrophobicContact CD1-CE1 4.13Å; L113-F177 HydrophobicContact CD2-CE1 4.49Å; L113-F177 HydrophobicContact CG-CE1 4.48Å; V115-F177 HydrophobicContact CB-CZ 4.44Å; V115-F177 HydrophobicContact CG1-CE2 3.92Å; V115-F177 HydrophobicContact CG1-CZ 3.92Å; V115-F177 HydrophobicContact CG2-CE1 3.8Å; V115-F177 HydrophobicContact CG2-CE2 4.38Å; V115-F177 HydrophobicContact CG2-CZ 3.58Å; L128-F177 HydrophobicContact CD1-CB 4.07Å; L128-F177 HydrophobicContact CD1-CD2 3.64Å; L128-F177 HydrophobicContact CD1-CE2 4.45Å; L128-F177 HydrophobicContact CD1-CG 4.04Å; A131-F177 HydrophobicContact CB-CB 4.33Å; I132-F177 HydrophobicContact CG1-CD1 4.03Å; I132-F177 HydrophobicContact CG1-CE1 4.4Å; I132-F177 HydrophobicContact CG1-CG 4.22Å; L135-F177 HydrophobicContact CD1-CB 4.45Å; L135-F177 HydrophobicContact CD1-CD1 3.87Å; H149-F177 HydrophobicContact CB-CE2 4.48Å; H149-F177 HydrophobicContact CB-CZ 4.01Å; H149-F177 AromaticContact CG-CZ 3.88Å; V151-F177 HydrophobicContact CG2-CD2 4.1Å; V151-F177 HydrophobicContact CG2-CE2 3.57Å; V172-F177 HydrophobicContact CG2-CE2 3.86Å; P174-F177 PolarHBondContact O-N 3.2Å; E175-F177 PolarHBondContact O-N 2.93Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.76Å
178S94.5Very high93.6Very high32 Ų3248.4 Ų48.422%0.22425%0.245CC..Hα-helixtrans-69.6-41175-60.50000112.3E175 Y176 K182E175-S178 WeakPolarHBondContact O-CB 3.41Å; E175-S178 PolarHBondContact O-N 2.79Å; E175-S178 VanDerWaalsContact O-N 3.11Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.08Å; S178-K182 WeakPolarHBondContact O-CD 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.28Å; S178-K182 WeakPolarHBondContact O-CG 3.17Å; S178-K182 PolarHBondContact O-N 2.67Å
179E96.2Very high93.4Very high78 Ų7853.8 Ų53.836%0.36427%0.265SS..Hα-helixtrans-75.8-32.7174.6-65-50.8132.200112.3E175 Y176 K182 A183 P191 F196E175-E179 PolarHBondContact O-N 2.78Å; Y176-E179 PolarHBondContact O-N 3.29Å; E179-K182 PolarHBondContact O-N 2.91Å; E179-K182 IonicContact OE1-NZ 3.88Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CD 3.32Å; E179-K182 IonicContact OE2-NZ 3.62Å; E179-A183 VanDerWaalsContact O-CB 3.32Å; E179-A183 WeakPolarHBondContact O-CB 3.24Å; E179-A183 PolarHBondContact O-N 2.9Å; E179-P191 HydrophobicContact CB-CG 4.31Å; E179-F196 HydrophobicContact CB-CZ 4.06Å; E179-F196 HydrophobicContact CG-CE1 4.19Å; E179-F196 HydrophobicContact CG-CZ 3.89Å
180F95.8Very high93.2Very high11 Ų1154.7 Ų54.75%0.04827%0.271CS..Hα-helixtrans-64.3-43174.4-176.8-159.6000111.6M1 L113 L135 Y176 A183 V184 P190 P191M1-F180 HydrophobicContact SD-CE1 4.47Å; M1-F180 HydrophobicContact SD-CE2 4.46Å; M1-F180 HydrophobicContact SD-CZ 3.8Å; L113-F180 HydrophobicContact CD2-CE1 4.48Å; L135-F180 HydrophobicContact CD1-CB 4.49Å; L135-F180 HydrophobicContact CD1-CD1 3.74Å; L135-F180 HydrophobicContact CD1-CE1 4.27Å; L135-F180 HydrophobicContact CD1-CG 4.29Å; L135-F180 HydrophobicContact CD2-CD1 4.03Å; L135-F180 HydrophobicContact CD2-CD2 4.39Å; L135-F180 HydrophobicContact CD2-CE1 4.15Å; L135-F180 HydrophobicContact CD2-CE2 4.49Å; L135-F180 HydrophobicContact CD2-CG 4.15Å; L135-F180 HydrophobicContact CD2-CZ 4.37Å; Y176-F180 VanDerWaalsContact O-CB 3.3Å; Y176-F180 WeakPolarHBondContact O-CB 3.45Å; Y176-F180 PolarHBondContact O-N 2.93Å; F180-A183 PolarHBondContact O-N 2.57Å; F180-V184 HydrophobicContact CD2-CG2 3.87Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.43Å; F180-V184 PolarHBondContact O-N 2.92Å; F180-P190 HydrophobicContact CD2-CB 3.84Å; F180-P190 HydrophobicContact CD2-CG 4.28Å; F180-P190 HydrophobicContact CE2-CB 3.87Å; F180-P190 HydrophobicContact CE2-CG 3.85Å; F180-P191 HydrophobicContact CB-CG 3.91Å
181L95.2Very high93.2Very high18 Ų1854.1 Ų54.19%0.09427%0.267CS..Hα-helixtrans-57-52.8172.5179.461.5000111.3L19 A131 Q134 L135 F177 A183 V184 E185L19-L181 HydrophobicContact CD1-CD1 3.94Å; L19-L181 HydrophobicContact CD2-CD1 3.66Å; L19-L181 HydrophobicContact CG-CD1 4.46Å; A131-L181 HydrophobicContact CB-CD2 4.38Å; Q134-L181 HydrophobicContact CB-CD1 3.87Å; Q134-L181 HydrophobicContact CB-CD2 4.31Å; L135-L181 HydrophobicContact CD2-CB 4.45Å; L135-L181 HydrophobicContact CD2-CD1 4.43Å; L135-L181 HydrophobicContact CG-CB 4.46Å; L135-L181 HydrophobicContact CG-CD1 4.43Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.76Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.75Å; L181-V184 PolarHBondContact O-N 2.85Å; L181-V184 VanDerWaalsContact O-N 3.14Å; L181-E185 HydrophobicContact CD1-CG 4.47Å; L181-E185 WeakPolarHBondContact O-CG 3.45Å; L181-E185 PolarHBondContact O-N 3.21Å
182K95.1Very high93.1Very high97 Ų9760.9 Ų60.942%0.42230%0.298SS..Hα-helixtrans-58.9-36.3177.4-67.9166.9-166.4173.10112.9S178 E179 S186S178-K182 WeakPolarHBondContact O-CD 3.36Å; S178-K182 VanDerWaalsContact O-CG 3.28Å; S178-K182 WeakPolarHBondContact O-CG 3.17Å; S178-K182 PolarHBondContact O-N 2.67Å; E179-K182 PolarHBondContact O-N 2.91Å; E179-K182 IonicContact OE1-NZ 3.88Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CD 3.32Å; E179-K182 IonicContact OE2-NZ 3.62Å; K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 2.85Å
183A93.8Very high92.9Very high10 Ų1063.5 Ų63.58%0.08331%0.312CS..Hα-helixtrans-65.2-44.417700000111.1E179 F180 L181 S186 K187 K188 Q189E179-A183 VanDerWaalsContact O-CB 3.32Å; E179-A183 WeakPolarHBondContact O-CB 3.24Å; E179-A183 PolarHBondContact O-N 2.9Å; F180-A183 PolarHBondContact O-N 2.57Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.75Å; A183-S186 CarbonylContact O-C 3.5Å; A183-S186 PolarHBondContact O-N 2.99Å; A183-K187 PolarHBondContact O-N 3.14Å; A183-K188 HydrophobicContact CB-CB 4.39Å; A183-K188 PolarHBondContact O-N 2.79Å; A183-Q189 WeakPolarHBondContact CB-O 3.42Å
184V92.6Very high92.7Very high15 Ų1567.5 Ų67.59%0.09133%0.332CS..Hα-helixtrans-66.8-44.6177.4175.20000111.5M1 R17 L19 L135 F180 L181 S186 K187M1-V184 HydrophobicContact CE-CG1 4.13Å; M1-V184 HydrophobicContact CE-CG2 4.12Å; R17-V184 HydrophobicContact CB-CG1 3.95Å; R17-V184 HydrophobicContact CB-CG2 4.14Å; L19-V184 HydrophobicContact CD1-CG1 4.26Å; L19-V184 HydrophobicContact CD2-CB 4.19Å; L19-V184 HydrophobicContact CD2-CG1 3.67Å; L19-V184 HydrophobicContact CG-CG1 3.78Å; L135-V184 HydrophobicContact CD2-CG2 4.39Å; F180-V184 HydrophobicContact CD2-CG2 3.87Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 WeakPolarHBondContact O-CG2 3.43Å; F180-V184 PolarHBondContact O-N 2.92Å; L181-V184 PolarHBondContact O-N 2.85Å; L181-V184 VanDerWaalsContact O-N 3.14Å; V184-S186 VanDerWaalsContact C-N 3.27Å; V184-S186 PolarHBondContact O-N 2.94Å; V184-K187 PolarHBondContact O-N 2.98Å; V184-K187 VanDerWaalsContact O-N 3.1Å
185E91.9Very high92.5Very high116 Ų11670.1 Ų70.154%0.54235%0.35SS..Hα-helixtrans-57.4-40.5171.9-69179.4148.400112L19 L181 K187L19-E185 HydrophobicContact CD1-CG 3.78Å; L181-E185 HydrophobicContact CD1-CG 4.47Å; L181-E185 WeakPolarHBondContact O-CG 3.45Å; L181-E185 PolarHBondContact O-N 3.21Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.39Å
186S90.6Very high92.5Very high63 Ų6366.8 Ų66.844%0.44133%0.334SS..THydrogen-bonded Turntrans-77.4-5.3178.3-61.50000114.6K182 A183 V184K182-S186 WeakPolarHBondContact O-CB 3.49Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 2.85Å; A183-S186 CarbonylContact O-C 3.5Å; A183-S186 PolarHBondContact O-N 2.99Å; V184-S186 VanDerWaalsContact C-N 3.27Å; V184-S186 PolarHBondContact O-N 2.94Å
187K85.9Confident92.2Very high150 Ų15071.4 Ų71.465%0.65235%0.352SS*.THydrogen-bonded Turntrans51.251.5-168.2-54.1-177.4-171.21790113.2A32 A183 V184 E185A32-K187 PolarHBondContact O-NZ 2.76Å; A183-K187 PolarHBondContact O-N 3.14Å; V184-K187 PolarHBondContact O-N 2.98Å; V184-K187 VanDerWaalsContact O-N 3.1Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 3.39Å
188K88.2Confident91.9Very high132 Ų13272.1 Ų72.157%0.57436%0.357SS*.  trans-114.9165.9175.5-66172.2-177161.80110.5A183A183-K188 HydrophobicContact CB-CB 4.39Å; A183-K188 PolarHBondContact O-N 2.79Å
189Q87.3Confident91.6Very high133 Ų13374.2 Ų74.262%0.62137%0.37SS*.PPolyproline II helixtrans-59.6146.4168.8-62.5-176.20.300111.1E14 A183E14-Q189 VanDerWaalsContact OE1-CG 3.24Å; E14-Q189 WeakPolarHBondContact OE1-CG 3.28Å; E14-Q189 PolarHBondContact OE1-NE2 3.27Å; A183-Q189 WeakPolarHBondContact CB-O 3.42Å
190P89.4Confident91.1Very high43 Ų4374.4 Ų74.428%0.27937%0.372SS..PPolyproline II helixtrans-60.2156.1175.1-21.533.4000112.5R17 F180R17-P190 VanDerWaalsContact CZ-CG 3.45Å; F180-P190 HydrophobicContact CD2-CB 3.84Å; F180-P190 HydrophobicContact CD2-CG 4.28Å; F180-P190 HydrophobicContact CE2-CB 3.87Å; F180-P190 HydrophobicContact CE2-CG 3.85Å
191P93.4Very high90.4Very high26 Ų2677.3 Ų77.317%0.16939%0.389CS..PPolyproline II helixtrans-61.2145.6170.224-32.1000112.5Y176 E179 F180 I193 F196Y176-P191 HydrophobicContact CD2-CB 4.32Å; Y176-P191 HydrophobicContact CD2-CG 3.83Å; Y176-P191 HydrophobicContact CE2-CB 4.36Å; Y176-P191 HydrophobicContact CE2-CG 3.77Å; E179-P191 HydrophobicContact CB-CG 4.31Å; F180-P191 HydrophobicContact CB-CG 3.91Å; P191-I193 PolarHBondContact O-N 3.02Å; P191-F196 HydrophobicContact CB-CD2 4.2Å; P191-F196 HydrophobicContact CB-CE2 3.53Å; P191-F196 HydrophobicContact CB-CZ 4.21Å; P191-F196 HydrophobicContact CG-CE2 4.42Å
192E91.9Very high89.5Confident152 Ų15277.5 Ų77.571%0.7139%0.389SS*.PPolyproline II helixtrans-71.4119173.5-66.4175167.700110.4E194 S195E192-E194 PolarHBondContact O-N 2.78Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E192-S195 PolarHBondContact O-N 3.35Å; E192-S195 VanDerWaalsContact O-N 3.07Å; E192-S195 PolarHBondContact O-OG 3.02Å
193I91.4Very high88.4Confident55 Ų5578.2 Ų78.228%0.28240%0.403SS..G310 helixtrans-51.2-40.6-176.4-70.7170.7000112.4P170 V172 Y176 P191 S195 F196 Y197P170-I193 HydrophobicContact CB-CG2 3.99Å; V172-I193 HydrophobicContact CG1-CG2 3.86Å; Y176-I193 HydrophobicContact CE2-CB 4.5Å; Y176-I193 HydrophobicContact CE2-CG1 3.64Å; Y176-I193 WeakPolarHBondContact OH-CG1 3.49Å; P191-I193 PolarHBondContact O-N 3.02Å; I193-S195 PolarHBondContact O-N 3.15Å; I193-F196 PolarHBondContact O-N 3.15Å; I193-Y197 HydrophobicContact CG2-CE1 3.82Å
194E89.9Confident87.2Confident150 Ų15078.8 Ų78.870%0.70141%0.408SS*.G310 helixtrans-59.5-33.6-177.4-59.2-176.6-170.300113.1E192 F196 Y197E192-E194 PolarHBondContact O-N 2.78Å; E192-E194 VanDerWaalsContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 3.27Å; E194-Y197 HydrophobicContact CB-CD2 4.36Å; E194-Y197 HydrophobicContact CB-CE2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.92Å; E194-Y197 WeakPolarHBondContact O-CD2 3.41Å; E194-Y197 PolarHBondContact O-N 2.98Å
195S91.8Very high86.1Confident75 Ų7578.6 Ų78.652%0.52441%0.407SS..G310 helixtrans-69.6-14.2177.669.70000113.5E192 I193E192-S195 PolarHBondContact O-N 3.35Å; E192-S195 VanDerWaalsContact O-N 3.07Å; E192-S195 PolarHBondContact O-OG 3.02Å; I193-S195 PolarHBondContact O-N 3.15Å
196F93.9Very high84.5Confident31 Ų3175.1 Ų75.114%0.13640%0.402CS..G310 helixtrans-108.312.9-179.6-69.7-92.3000114K173 E175 Y176 E179 P191 I193 E194K173-F196 WeakPolarHBondContact CB-O 3.38Å; K173-F196 VanDerWaalsContact CG-O 3.28Å; K173-F196 WeakPolarHBondContact CG-O 3.33Å; K173-F196 PolarHBondContact N-O 2.81Å; E175-F196 HydrophobicContact CB-CD1 4.15Å; E175-F196 HydrophobicContact CB-CE1 3.91Å; Y176-F196 VanDerWaalsContact CA-CD1 3.47Å; Y176-F196 HydrophobicContact CD2-CB 4.22Å; Y176-F196 AromaticContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CD2 3.88Å; Y176-F196 HydrophobicContact CD2-CG 4.02Å; Y176-F196 HydrophobicContact CG-CB 4.39Å; Y176-F196 HydrophobicContact CG-CG 4.36Å; Y176-F196 VanDerWaalsContact N-CD1 3.34Å; E179-F196 HydrophobicContact CB-CZ 4.06Å; E179-F196 HydrophobicContact CG-CE1 4.19Å; E179-F196 HydrophobicContact CG-CZ 3.89Å; P191-F196 HydrophobicContact CB-CD2 4.2Å; P191-F196 HydrophobicContact CB-CE2 3.53Å; P191-F196 HydrophobicContact CB-CZ 4.21Å; P191-F196 HydrophobicContact CG-CE2 4.42Å; I193-F196 PolarHBondContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 3.27Å
197Y91.6Very high82.9Confident113 Ų11378.6 Ų78.644%0.44343%0.426SS..PPolyproline II helixtrans-62.3130.5174-68-33.1000112I171 K173 I193 E194I171-Y197 WeakPolarHBondContact O-CD1 3.45Å; K173-Y197 WeakPolarHBondContact CE-O 3.18Å; K173-Y197 PolarHBondContact NZ-O 2.95Å; I193-Y197 HydrophobicContact CG2-CE1 3.82Å; E194-Y197 HydrophobicContact CB-CD2 4.36Å; E194-Y197 HydrophobicContact CB-CE2 3.93Å; E194-Y197 HydrophobicContact CG-CE2 3.92Å; E194-Y197 WeakPolarHBondContact O-CD2 3.41Å; E194-Y197 PolarHBondContact O-N 2.98Å
198P90.2Very high81.7Confident14 Ų1476.6 Ų76.69%0.09142%0.417CS..PPolyproline II helixtrans-73.2147177.723.6-26.1000112.4V155 I171 K173V155-P198 HydrophobicContact CG2-CB 4.19Å; V155-P198 HydrophobicContact CG2-CG 3.71Å; I171-P198 HydrophobicContact CG2-CG 3.91Å; I171-P198 WeakPolarHBondContact O-CD 3.32Å; K173-P198 HydrophobicContact CG-CB 3.99Å
199P88.5Confident80.6Confident76 Ų7676.4 Ų76.449%0.49443%0.433SS..PPolyproline II helixtrans-65.9148.2173.230.4-35.6000110.8S154 V155S154-P199 CarbonylContact C-O 3.6Å; S154-P199 VanDerWaalsContact CA-O 3.31Å; S154-P199 WeakPolarHBondContact CA-O 3.26Å; S154-P199 WeakPolarHBondContact CB-O 3.39Å; V155-P199 PolarHBondContact N-O 3.43Å
200I85.1Confident80.1Confident82 Ų8271.3 Ų71.342%0.42141%0.411SS..BIsolated β-bridgetrans-79.3125.3176-51.8178.8000109.2E202 V210 L212I200-E202 HydrophobicContact CG2-CB 4.11Å; I200-V210 HydrophobicContact CD1-CB 4.03Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I200-L212 HydrophobicContact CD1-CD1 3.58Å; I200-L212 HydrophobicContact CD1-CG 4.28Å; I200-L212 HydrophobicContact CG1-CD1 3.74Å
201D80Confident79.8Confident73 Ų7372.1 Ų72.139%0.3941%0.413SS..  trans-128.149.8-178-179.134.5000109.4S154 V155 K156S154-D201 WeakPolarHBondContact OG-CB 3.46Å; S154-D201 PolarHBondContact OG-OD2 3.4Å; V155-D201 CarbonylContact O-C 3.52Å; V155-D201 PolarHBondContact O-N 2.7Å; K156-D201 WeakPolarHBondContact CE-OD2 3.43Å; K156-D201 IonicContact NZ-OD2 3.77Å; K156-D201 PolarHBondContact NZ-OD2 2.81Å
202E77Confident79.3Confident21 Ų2172.8 Ų72.810%0.09842%0.415CS..  trans-11999.3-176.8-177.655.5-102.300111.1V157 I200 A204 I205V157-E202 HydrophobicContact CG2-CB 4.45Å; V157-E202 HydrophobicContact CG2-CG 3.83Å; V157-E202 PolarHBondContact N-OE2 2.91Å; I200-E202 HydrophobicContact CG2-CB 4.11Å; E202-A204 HydrophobicContact CG-CB 4.4Å; E202-A204 PolarHBondContact O-N 3.05Å; E202-A204 WeakPolarHBondContact OE1-CB 3.46Å; E202-A204 PolarHBondContact OE1-N 3.49Å; E202-A204 VanDerWaalsContact OE1-N 3.15Å; E202-I205 HydrophobicContact CB-CD1 4.02Å; E202-I205 HydrophobicContact CB-CG1 4.35Å; E202-I205 HydrophobicContact CG-CD1 3.72Å; E202-I205 HydrophobicContact CG-CG1 3.65Å
203P72.3Confident78.8Confident112 Ų11268.2 Ų68.273%0.72740%0.4SS*.THydrogen-bonded Turntrans-58.7-26.8177.2-25.535.4000114
204A67.9Low78.4Confident23 Ų2367.9 Ų67.919%0.1941%0.409CS..THydrogen-bonded Turntrans-81.5-16-171.400000115.5E202 L333 F742E202-A204 HydrophobicContact CG-CB 4.4Å; E202-A204 PolarHBondContact O-N 3.05Å; E202-A204 WeakPolarHBondContact OE1-CB 3.46Å; E202-A204 PolarHBondContact OE1-N 3.49Å; E202-A204 VanDerWaalsContact OE1-N 3.15Å; A204-L333 WeakPolarHBondContact O-CD1 3.39Å; A204-L333 WeakPolarHBondContact O-CD2 3.47Å; A204-F742 HydrophobicContact CB-CB 3.66Å; A204-F742 HydrophobicContact CB-CD1 3.34Å; A204-F742 HydrophobicContact CB-CE1 4.25Å; A204-F742 HydrophobicContact CB-CG 3.7Å
205I69.2Low78.2Confident10 Ų1064.9 Ų64.95%0.05139%0.392CS..THydrogen-bonded Turntrans-89-19.9173.1-46.2162.5000111V157 E202 V210 I315 F316V157-I205 HydrophobicContact CG2-CD1 3.83Å; E202-I205 HydrophobicContact CB-CD1 4.02Å; E202-I205 HydrophobicContact CB-CG1 4.35Å; E202-I205 HydrophobicContact CG-CD1 3.72Å; E202-I205 HydrophobicContact CG-CG1 3.65Å; I205-V210 HydrophobicContact CB-CG2 4.18Å; I205-V210 HydrophobicContact CD1-CG1 4.39Å; I205-V210 HydrophobicContact CD1-CG2 4.06Å; I205-V210 HydrophobicContact CG2-CG2 3.49Å; I205-V210 VanDerWaalsContact CG2-CG2 3.49Å; I205-I315 HydrophobicContact CD1-CD1 3.93Å; I205-I315 HydrophobicContact CD1-CG2 4.4Å; I205-I315 HydrophobicContact CG1-CD1 4.33Å; I205-I315 HydrophobicContact CG2-CG2 4.4Å; I205-F316 HydrophobicContact CG2-CE1 4.46Å; I205-F316 HydrophobicContact CG2-CE2 3.97Å; I205-F316 HydrophobicContact CG2-CZ 3.55Å
206G59.5Low78Confident43 Ų4366.3 Ų66.344%0.44339%0.39SS..THydrogen-bonded Turntrans68.6-169.8-17700000113.2K208G206-K208 PolarHBondContact O-N 2.73Å
207S56.2Low77.9Confident136 Ų13669.6 Ų69.695%0.95141%0.406SS*.THydrogen-bonded Turntrans-78.824-17868.60000114.3
208K60.6Low78Confident108 Ų10864.2 Ų64.247%0.4739%0.385SS..SBendtrans-75.2136.6170.4-67.9-177.3178.8-178.80107.8G206 V210 F316 E332G206-K208 PolarHBondContact O-N 2.73Å; K208-V210 WeakPolarHBondContact O-CG2 3.43Å; K208-V210 PolarHBondContact O-N 2.88Å; K208-F316 HydrophobicContact CD-CE1 4.28Å; K208-F316 HydrophobicContact CD-CZ 4.29Å; K208-E332 IonicContact NZ-OE2 2.73Å; K208-E332 PolarHBondContact NZ-OE2 2.91Å
209S65Low78.2Confident128 Ų12867.3 Ų67.390%0.89540%0.397SS*.  trans-69.8103.3178.353.30000110.4
210V77.8Confident78.5Confident27 Ų2768.2 Ų68.216%0.16439%0.394CS..  trans-82.5129.1-175.2-164.50000110.9I200 I205 K208 L212 I315I200-V210 HydrophobicContact CD1-CB 4.03Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I205-V210 HydrophobicContact CB-CG2 4.18Å; I205-V210 HydrophobicContact CD1-CG1 4.39Å; I205-V210 HydrophobicContact CD1-CG2 4.06Å; I205-V210 HydrophobicContact CG2-CG2 3.49Å; I205-V210 VanDerWaalsContact CG2-CG2 3.49Å; K208-V210 WeakPolarHBondContact O-CG2 3.43Å; K208-V210 PolarHBondContact O-N 2.88Å; V210-L212 HydrophobicContact CB-CG 4.39Å; V210-L212 HydrophobicContact CG1-CD2 3.73Å; V210-L212 HydrophobicContact CG1-CG 4.04Å; V210-L212 PolarHBondContact O-N 2.92Å; V210-I315 HydrophobicContact CG1-CG2 3.58Å
211D82.5Confident79Confident60 Ų6065.3 Ų65.332%0.32138%0.38SS..  trans-85.799.9170.8-169.7-12.6000110.4S213 R215 R218D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 2.9Å; D211-S213 PolarHBondContact OD1-OG 3.06Å; D211-R215 IonicContact OD2-CZ 2.74Å; D211-R215 VanDerWaalsContact OD2-CZ 3.22Å; D211-R215 IonicContact OD2-NE 2.62Å; D211-R215 PolarHBondContact OD2-NE 3.46Å; D211-R215 IonicContact OD2-NH2 3.46Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å; D211-R218 PolarHBondContact O-NH2 2.88Å
212L82.4Confident79.8Confident40 Ų4061.9 Ų61.921%0.20936%0.361CS..  trans-96.910.4175.2-60179000113.1V155 L165 I200 V210V155-L212 HydrophobicContact CB-CD1 4.32Å; V155-L212 HydrophobicContact CG1-CD1 3.97Å; V155-L212 HydrophobicContact CG2-CD1 4.07Å; L165-L212 HydrophobicContact CD1-CD2 3.88Å; L165-L212 HydrophobicContact CD2-CB 4.07Å; L165-L212 HydrophobicContact CD2-CD2 3.97Å; L165-L212 WeakPolarHBondContact CD2-O 3.45Å; I200-L212 HydrophobicContact CD1-CD1 3.58Å; I200-L212 HydrophobicContact CD1-CG 4.28Å; I200-L212 HydrophobicContact CG1-CD1 3.74Å; V210-L212 HydrophobicContact CB-CG 4.39Å; V210-L212 HydrophobicContact CG1-CD2 3.73Å; V210-L212 HydrophobicContact CG1-CG 4.04Å; V210-L212 PolarHBondContact O-N 2.92Å
213S82.4Confident80.7Confident56 Ų5667.7 Ų67.739%0.39239%0.386SS..SBendtrans-69160.617770.50000112.1D211 R215 R218D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 2.9Å; D211-S213 PolarHBondContact OD1-OG 3.06Å; S213-R215 PolarHBondContact O-N 2.85Å; S213-R215 VanDerWaalsContact O-N 3.14Å; S213-R218 VanDerWaalsContact O-CZ 3.3Å; S213-R218 PolarHBondContact O-NH1 2.77Å; S213-R218 PolarHBondContact O-NH2 3.46Å
214G82.6Confident81.8Confident47 Ų4765.5 Ų65.549%0.48538%0.384SS..  trans-73.699.5-179.900000112.6
215R86.4Confident83.1Confident87 Ų8765.9 Ų65.933%0.32838%0.381SS..  trans-110.7121.5-178.3-77.9-177.7175.9-99.77.7111.6D211 S213 E217 R218 M317D211-R215 IonicContact OD2-CZ 2.74Å; D211-R215 VanDerWaalsContact OD2-CZ 3.22Å; D211-R215 IonicContact OD2-NE 2.62Å; D211-R215 PolarHBondContact OD2-NE 3.46Å; D211-R215 IonicContact OD2-NH2 3.46Å; D211-R215 PolarHBondContact OD2-NH2 2.88Å; S213-R215 PolarHBondContact O-N 2.85Å; S213-R215 VanDerWaalsContact O-N 3.14Å; R215-E217 WeakPolarHBondContact CA-OE2 3.4Å; R215-E217 WeakPolarHBondContact CB-OE2 3.31Å; R215-E217 IonicContact CZ-OE1 3.39Å; R215-E217 IonicContact NH1-OE1 3.72Å; R215-E217 PolarHBondContact NH1-OE1 3.32Å; R215-E217 PolarHBondContact O-N 3.24Å; R215-R218 HydrophobicContact CB-CG 4.24Å; R215-R218 PolarHBondContact O-N 3.36Å; R215-M317 HydrophobicContact CB-CE 4.33Å; R215-M317 HydrophobicContact CB-SD 4.45Å; R215-M317 WeakPolarHBondContact CD-SD 3.34Å
216Q88Confident84.3Confident105 Ų10566.5 Ų66.549%0.49139%0.386SS..G310 helixtrans-70.1-23-176.6-58.9-55.2-58.500112.3R218 K219Q216-R218 PolarHBondContact O-N 3Å; Q216-K219 WeakPolarHBondContact O-CB 3.19Å; Q216-K219 PolarHBondContact O-N 3.27Å
217E91.8Very high86.1Confident100 Ų10064.5 Ų64.547%0.46736%0.364SS..G310 helixtrans-54.6-31.8173-4993.310500111.8R215 K219 Q220 M317R215-E217 WeakPolarHBondContact CA-OE2 3.4Å; R215-E217 WeakPolarHBondContact CB-OE2 3.31Å; R215-E217 IonicContact CZ-OE1 3.39Å; R215-E217 IonicContact NH1-OE1 3.72Å; R215-E217 PolarHBondContact NH1-OE1 3.32Å; R215-E217 PolarHBondContact O-N 3.24Å; E217-K219 PolarHBondContact O-N 3.22Å; E217-Q220 PolarHBondContact O-N 3.14Å; E217-M317 HydrophobicContact CB-CE 3.59Å; E217-M317 HydrophobicContact CG-CE 4.13Å
218R93.8Very high87.9Confident1 Ų158 Ų580%0.00432%0.319CS..G310 helixtrans-67-20179.4-57.7-155.3-16087.41.4113.6L165 I166 D211 S213 R215 Q216 Q220 I221 V314 M317L165-R218 WeakPolarHBondContact O-CD 3.42Å; L165-R218 PolarHBondContact O-NH1 2.74Å; I166-R218 HydrophobicContact CG1-CB 4.43Å; D211-R218 PolarHBondContact O-NH2 2.88Å; S213-R218 VanDerWaalsContact O-CZ 3.3Å; S213-R218 PolarHBondContact O-NH1 2.77Å; S213-R218 PolarHBondContact O-NH2 3.46Å; R215-R218 HydrophobicContact CB-CG 4.24Å; R215-R218 PolarHBondContact O-N 3.36Å; Q216-R218 PolarHBondContact O-N 3Å; R218-Q220 PolarHBondContact O-N 3.38Å; R218-I221 WeakPolarHBondContact O-CG2 3.45Å; R218-I221 PolarHBondContact O-N 2.79Å; R218-V314 VanDerWaalsContact CD-O 3.27Å; R218-V314 WeakPolarHBondContact CD-O 3.22Å; R218-V314 PolarHBondContact NE-O 3.12Å; R218-M317 HydrophobicContact CG-CE 4.3Å; R218-M317 HydrophobicContact CG-CG 4.11Å; R218-M317 HydrophobicContact CG-SD 4.25Å
219K93.8Very high89.4Confident78 Ų7852.9 Ų52.934%0.33930%0.297SS..G310 helixtrans-68.6-6.9174.2-64.9-176.7171.3166.20114.2I166 C167 Q216 E217 G245 G246I166-K219 WeakPolarHBondContact O-CG 3.35Å; C167-K219 VanDerWaalsContact C-CE 3.49Å; C167-K219 WeakPolarHBondContact O-CE 3.48Å; C167-K219 PolarHBondContact O-NZ 2.88Å; Q216-K219 WeakPolarHBondContact O-CB 3.19Å; Q216-K219 PolarHBondContact O-N 3.27Å; E217-K219 PolarHBondContact O-N 3.22Å; K219-G245 CarbonylContact C-O 3.47Å; K219-G245 CarbonylContact O-C 3.55Å; K219-G245 VanDerWaalsContact O-C 3.26Å; K219-G246 PolarHBondContact O-N 3.31Å
220Q95.2Very high90.5Very high96 Ų9647.4 Ų47.445%0.44926%0.257SS..G310 helixtrans-130.114.1-179.5-61.4-73.2-90.800112E217 R218 F222 K223 G245E217-Q220 PolarHBondContact O-N 3.14Å; R218-Q220 PolarHBondContact O-N 3.38Å; Q220-F222 PolarHBondContact O-N 3.05Å; Q220-K223 HydrophobicContact CB-CB 4.36Å; Q220-K223 WeakPolarHBondContact O-CB 3.33Å; Q220-K223 PolarHBondContact O-N 2.8Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; Q220-G245 CarbonylContact C-O 3.57Å; Q220-G245 VanDerWaalsContact CA-O 3.27Å; Q220-G245 WeakPolarHBondContact CA-O 2.97Å
221I95.6Very high90.8Very high21 Ų2147.2 Ų47.211%0.10826%0.256CS..THydrogen-bonded Turntrans-61.1-30.4-176.3-171.955.9000113.6R218 G245 V314 T319R218-I221 WeakPolarHBondContact O-CG2 3.45Å; R218-I221 PolarHBondContact O-N 2.79Å; I221-G245 PolarHBondContact N-O 3.47Å; I221-G245 VanDerWaalsContact N-O 3.1Å; I221-V314 HydrophobicContact CG2-CG2 4.06Å; I221-T319 HydrophobicContact CD1-CG2 4.07Å; I221-T319 HydrophobicContact CG1-CG2 4.01Å; I221-T319 WeakPolarHBondContact O-CG2 3.36Å; I221-T319 PolarHBondContact O-OG1 2.78Å
222F96.6Very high91Very high0 Ų047.2 Ų47.20%026%0.264CS..THydrogen-bonded Turntrans-104.312.3179.2-59-51.3000113.2I166 Q220 G224 K225 F227 I242 G245 G247 I310 A313 V314 T319I166-F222 HydrophobicContact CD1-CE2 4.37Å; Q220-F222 PolarHBondContact O-N 3.05Å; F222-G224 PolarHBondContact O-N 3.39Å; F222-K225 WeakPolarHBondContact O-CB 3.46Å; F222-K225 PolarHBondContact O-N 3.3Å; F222-F227 HydrophobicContact CB-CE2 4.04Å; F222-F227 AromaticContact CD1-CE2 3.55Å; F222-F227 HydrophobicContact CD1-CE2 3.55Å; F222-F227 AromaticContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CE1-CE2 4.16Å; F222-F227 AromaticContact CE1-CZ 3.76Å; F222-F227 HydrophobicContact CE1-CZ 3.76Å; F222-F227 AromaticContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CZ 4.29Å; F222-I242 HydrophobicContact CD2-CG1 4.42Å; F222-I242 HydrophobicContact CE2-CG1 4.43Å; F222-G245 PolarHBondContact N-O 3.04Å; F222-G247 VanDerWaalsContact O-CA 3.24Å; F222-G247 WeakPolarHBondContact O-CA 3.26Å; F222-I310 HydrophobicContact CE1-CG2 4.41Å; F222-I310 HydrophobicContact CE2-CG2 4.13Å; F222-I310 HydrophobicContact CZ-CG2 3.62Å; F222-A313 HydrophobicContact CE1-CB 3.91Å; F222-A313 HydrophobicContact CZ-CB 4.35Å; F222-V314 HydrophobicContact CE2-CG2 3.86Å; F222-V314 HydrophobicContact CZ-CG2 3.67Å; F222-T319 HydrophobicContact CD1-CG2 3.85Å; F222-T319 HydrophobicContact CE1-CG2 3.96Å
223K95.9Very high91.1Very high143 Ų14352.8 Ų52.862%0.62229%0.286SS*.THydrogen-bonded Turntrans-56.5122.8-179.1-172.9177.2-162.7148.10111.7Q220 G246Q220-K223 HydrophobicContact CB-CB 4.36Å; Q220-K223 WeakPolarHBondContact O-CB 3.33Å; Q220-K223 PolarHBondContact O-N 2.8Å; Q220-K223 VanDerWaalsContact O-N 3.13Å; K223-G246 WeakPolarHBondContact CA-O 3.2Å
224G94Very high91.2Very high66 Ų6651 Ų5168%0.6827%0.272SS*.THydrogen-bonded Turntrans76.120.2-177.900000114.2F222F222-G224 PolarHBondContact O-N 3.39Å
225K95.2Very high91.5Very high32 Ų3250.9 Ų50.914%0.13926%0.259CS..  trans-117.1140.4168.3-60.3-163.2174.7-156.40111F222 F227 G247 E248 G267 T319 C323F222-K225 WeakPolarHBondContact O-CB 3.46Å; F222-K225 PolarHBondContact O-N 3.3Å; K225-F227 HydrophobicContact CB-CD2 4.42Å; K225-F227 HydrophobicContact CB-CE2 3.93Å; K225-G247 WeakPolarHBondContact O-CA 3.36Å; K225-E248 PolarHBondContact O-N 3.27Å; K225-G267 WeakPolarHBondContact CA-O 3.35Å; K225-T319 PolarHBondContact NZ-O 3.48Å; K225-C323 PolarHBondContact NZ-O 2.95Å
226T95.9Very high91.7Very high23 Ų2355.4 Ų55.414%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-115.9111.4176.7-61.70000108.6E248 F262 G267 T268 C269T226-E248 WeakPolarHBondContact CA-O 3.44Å; T226-E248 HydrophobicContact CG2-CB 4Å; T226-E248 HydrophobicContact CG2-CG 3.93Å; T226-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T226-E248 PolarHBondContact OG1-OE2 2.86Å; T226-F262 HydrophobicContact CG2-CZ 3.99Å; T226-G267 PolarHBondContact N-O 3.04Å; T226-G267 VanDerWaalsContact N-O 3.1Å; T226-T268 WeakPolarHBondContact O-CA 3.45Å; T226-C269 PolarHBondContact O-N 2.95Å
227F95.8Very high91.6Very high0 Ų052.5 Ų52.50%027%0.266CS..EExtended strand (participates in β ladder)trans-88.4118.7-179.7-75-96.9000110.4F222 K225 F229 I242 E248 R250 C269 V271 I310 C323F222-F227 HydrophobicContact CB-CE2 4.04Å; F222-F227 AromaticContact CD1-CE2 3.55Å; F222-F227 HydrophobicContact CD1-CE2 3.55Å; F222-F227 AromaticContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CD1-CZ 3.58Å; F222-F227 HydrophobicContact CE1-CE2 4.16Å; F222-F227 AromaticContact CE1-CZ 3.76Å; F222-F227 HydrophobicContact CE1-CZ 3.76Å; F222-F227 AromaticContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CE2 3.83Å; F222-F227 HydrophobicContact CG-CZ 4.29Å; K225-F227 HydrophobicContact CB-CD2 4.42Å; K225-F227 HydrophobicContact CB-CE2 3.93Å; F227-F229 HydrophobicContact CB-CE2 3.94Å; F227-F229 HydrophobicContact CB-CZ 4.47Å; F227-I242 HydrophobicContact CB-CD1 3.64Å; F227-I242 HydrophobicContact CB-CG1 4.4Å; F227-I242 HydrophobicContact CB-CG2 4.28Å; F227-I242 HydrophobicContact CD1-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CB 4.43Å; F227-I242 HydrophobicContact CD2-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CG1 3.98Å; F227-I242 HydrophobicContact CD2-CG2 3.57Å; F227-I242 HydrophobicContact CE2-CG1 4.39Å; F227-I242 HydrophobicContact CE2-CG2 4.27Å; F227-I242 HydrophobicContact CG-CD1 3.7Å; F227-I242 HydrophobicContact CG-CG1 4.06Å; F227-I242 HydrophobicContact CG-CG2 4.19Å; F227-E248 PolarHBondContact N-O 2.85Å; F227-R250 PolarHBondContact O-N 2.82Å; F227-C269 WeakPolarHBondContact CA-O 3.49Å; F227-C269 HydrophobicContact CD1-CB 3.89Å; F227-C269 HydrophobicContact CE1-CB 3.99Å; F227-C269 HydrophobicContact CG-CB 4.28Å; F227-C269 HydrophobicContact CZ-CB 4.45Å; F227-V271 HydrophobicContact CB-CG2 4.44Å; F227-V271 HydrophobicContact CD1-CG2 3.98Å; F227-I310 HydrophobicContact CD1-CD1 4.27Å; F227-I310 HydrophobicContact CE1-CD1 4.32Å; F227-I310 HydrophobicContact CE1-CG1 4.05Å; F227-C323 HydrophobicContact CE1-CB 3.98Å; F227-C323 HydrophobicContact CZ-CB 3.81Å
228V94.2Very high91.5Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-101120.7-176.4176.30000109.3L230 M252 F262 F263 T268 C269 V270 V271V228-L230 HydrophobicContact CG1-CD2 4.16Å; V228-M252 HydrophobicContact CG1-CE 3.89Å; V228-M252 HydrophobicContact CG1-CG 4.02Å; V228-M252 HydrophobicContact CG1-SD 3.35Å; V228-M252 WeakPolarHBondContact CG1-SD 3.47Å; V228-M252 HydrophobicContact CG2-CE 4.41Å; V228-F262 HydrophobicContact CG2-CE1 3.73Å; V228-F262 HydrophobicContact CG2-CZ 4.24Å; V228-F263 HydrophobicContact CG1-CE1 4.27Å; V228-T268 HydrophobicContact CG2-CG2 3.72Å; V228-C269 PolarHBondContact N-O 3.04Å; V228-V270 HydrophobicContact CB-CG2 4.15Å; V228-V270 HydrophobicContact CG1-CG2 4.39Å; V228-V271 PolarHBondContact O-N 2.99Å
229F91.9Very high91.5Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-105.8128.3178.6-68.4-86.8000110.6F227 N231 Q234 H235 L238 I242 A249 R250 L251 M252 V271F227-F229 HydrophobicContact CB-CE2 3.94Å; F227-F229 HydrophobicContact CB-CZ 4.47Å; F229-N231 VanDerWaalsContact C-N 3.33Å; F229-Q234 HydrophobicContact CD1-CB 3.89Å; F229-Q234 HydrophobicContact CE1-CB 4.23Å; F229-H235 HydrophobicContact CB-CB 3.8Å; F229-H235 HydrophobicContact CD1-CB 4.38Å; F229-H235 HydrophobicContact CD2-CB 4.26Å; F229-H235 AromaticContact CD2-CD2 3.62Å; F229-H235 HydrophobicContact CG-CB 3.89Å; F229-L238 HydrophobicContact CE1-CB 3.89Å; F229-L238 HydrophobicContact CE1-CD1 3.63Å; F229-L238 HydrophobicContact CE1-CG 4.4Å; F229-L238 HydrophobicContact CZ-CB 3.68Å; F229-L238 HydrophobicContact CZ-CD1 4.21Å; F229-I242 HydrophobicContact CE2-CD1 3.62Å; F229-I242 HydrophobicContact CZ-CD1 3.47Å; F229-I242 VanDerWaalsContact CZ-CD1 3.47Å; F229-A249 HydrophobicContact CE2-CB 4.15Å; F229-R250 PolarHBondContact N-O 3.27Å; F229-L251 HydrophobicContact CB-CD1 4.36Å; F229-M252 PolarHBondContact O-N 3.08Å; F229-V271 HydrophobicContact CD1-CB 4.03Å; F229-V271 HydrophobicContact CD1-CG1 4.23Å; F229-V271 HydrophobicContact CD1-CG2 4.1Å; F229-V271 HydrophobicContact CE1-CB 3.98Å; F229-V271 HydrophobicContact CE1-CG1 3.92Å; F229-V271 HydrophobicContact CE1-CG2 3.72Å; F229-V271 HydrophobicContact CE2-CG2 4.42Å; F229-V271 HydrophobicContact CZ-CG2 3.92Å
230L88.8Confident91.4Very high13 Ų1347.1 Ų47.17%0.06825%0.25CC..SBendtrans-96.912.8174.2-49.8-177.6000111.8V228 M252 V270 I273 W289 I290 I293 M294V228-L230 HydrophobicContact CG1-CD2 4.16Å; L230-M252 HydrophobicContact CD2-CB 4.39Å; L230-M252 HydrophobicContact CD2-SD 4.49Å; L230-V270 HydrophobicContact CD1-CG1 4.01Å; L230-V270 HydrophobicContact CD2-CG1 4.49Å; L230-V270 HydrophobicContact CG-CG1 4.17Å; L230-I273 HydrophobicContact CB-CD1 3.68Å; L230-I273 HydrophobicContact CB-CG1 4.21Å; L230-I273 HydrophobicContact CD1-CD1 4.27Å; L230-W289 HydrophobicContact CB-CH2 4.34Å; L230-W289 HydrophobicContact CB-CZ3 3.95Å; L230-W289 HydrophobicContact CD2-CH2 3.59Å; L230-W289 HydrophobicContact CD2-CZ2 4.27Å; L230-W289 HydrophobicContact CD2-CZ3 3.97Å; L230-W289 HydrophobicContact CG-CZ3 4.45Å; L230-I290 HydrophobicContact CB-CG1 4.36Å; L230-I290 HydrophobicContact CD1-CG1 4.34Å; L230-I290 HydrophobicContact CD1-CG2 4.42Å; L230-I293 HydrophobicContact CD1-CB 4.37Å; L230-I293 HydrophobicContact CD1-CD1 4.24Å; L230-I293 HydrophobicContact CD1-CG2 4.06Å; L230-I293 HydrophobicContact CD2-CD1 3.67Å; L230-M294 HydrophobicContact CD1-CE 3.71Å
231N84.5Confident91.3Very high24 Ų2442.5 Ų42.513%0.12823%0.228CC..  trans-150.5117-173.1179.2-13.5000110.6F229 K233 Q234 H235F229-N231 VanDerWaalsContact C-N 3.33Å; N231-K233 PolarHBondContact O-N 3.02Å; N231-K233 WeakPolarHBondContact OD1-CB 3.38Å; N231-K233 PolarHBondContact OD1-N 3.34Å; N231-Q234 HydrophobicContact CB-CB 4.35Å; N231-Q234 HydrophobicContact CB-CG 4.47Å; N231-Q234 PolarHBondContact ND2-OE1 2.83Å; N231-Q234 PolarHBondContact O-N 3.46Å; N231-H235 PolarHBondContact O-N 2.91Å
232A86.2Confident91.3Very high59 Ų5941.5 Ų41.549%0.48822%0.223SC..Hα-helixtrans-60-29.3-178.200000113.9K236 L251A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.48Å; A232-L251 HydrophobicContact CB-CD1 4.3Å; A232-L251 HydrophobicContact CB-CD2 3.89Å
233K83.7Confident91.3Very high157 Ų15745.5 Ų45.568%0.68325%0.247SC*.Hα-helixtrans-71.6-43.1178.6-62.9-178.5-179.9177.60111.5N231 K237N231-K233 PolarHBondContact O-N 3.02Å; N231-K233 WeakPolarHBondContact OD1-CB 3.38Å; N231-K233 PolarHBondContact OD1-N 3.34Å; K233-K237 PolarHBondContact O-N 2.96Å; K233-K237 VanDerWaalsContact O-N 3.12Å
234Q85.9Confident91.3Very high18 Ų1840.2 Ų40.28%0.08422%0.224CC..Hα-helixtrans-67.8-42.3174.4-73178.9-71.600111.2F229 N231 K236 K237 L238 D272 E307F229-Q234 HydrophobicContact CD1-CB 3.89Å; F229-Q234 HydrophobicContact CE1-CB 4.23Å; N231-Q234 HydrophobicContact CB-CB 4.35Å; N231-Q234 HydrophobicContact CB-CG 4.47Å; N231-Q234 PolarHBondContact ND2-OE1 2.83Å; N231-Q234 PolarHBondContact O-N 3.46Å; Q234-K236 PolarHBondContact O-N 2.8Å; Q234-K237 PolarHBondContact O-N 3.24Å; Q234-L238 HydrophobicContact CB-CD1 4.2Å; Q234-L238 WeakPolarHBondContact O-CB 3.37Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.83Å; Q234-D272 PolarHBondContact NE2-O 3.24Å; Q234-E307 PolarHBondContact NE2-OE2 3.05Å; Q234-E307 VanDerWaalsContact NE2-OE2 3.12Å
235H89.4Confident91.3Very high46 Ų4637 Ų3721%0.21319%0.192CC..Hα-helixtrans-55.8-52.4173.4-178.9-112.3000111.6F229 N231 K237 L238 S239 L251F229-H235 HydrophobicContact CB-CB 3.8Å; F229-H235 HydrophobicContact CD1-CB 4.38Å; F229-H235 HydrophobicContact CD2-CB 4.26Å; F229-H235 AromaticContact CD2-CD2 3.62Å; F229-H235 HydrophobicContact CG-CB 3.89Å; N231-H235 PolarHBondContact O-N 2.91Å; H235-K237 PolarHBondContact O-N 3.49Å; H235-L238 PolarHBondContact O-N 3.34Å; H235-S239 WeakPolarHBondContact O-CB 3.32Å; H235-S239 PolarHBondContact O-N 2.88Å; H235-S239 PolarHBondContact O-OG 2.84Å; H235-L251 HydrophobicContact CB-CB 4.29Å; H235-L251 HydrophobicContact CB-CD1 4.14Å
236K88.8Confident91.3Very high181 Ų18137 Ų3779%0.78720%0.201SC*.Hα-helixtrans-59.7-31.3179.2-175.6174.1-179176.10113.3A232 Q234A232-K236 VanDerWaalsContact O-CB 3.27Å; A232-K236 WeakPolarHBondContact O-CB 3.34Å; A232-K236 PolarHBondContact O-N 3.48Å; Q234-K236 PolarHBondContact O-N 2.8Å
237K86.8Confident91.3Very high45 Ų4536.5 Ų36.520%0.19620%0.2CC..Hα-helixtrans-73.6-51.5174.3-177.6-177.6175.5-174.40111.5I159 K233 Q234 H235 E307 A738I159-K237 HydrophobicContact CB-CG 4.4Å; I159-K237 HydrophobicContact CG1-CG 4.38Å; I159-K237 WeakPolarHBondContact CG1-O 3.19Å; I159-K237 HydrophobicContact CG2-CG 4.27Å; K233-K237 PolarHBondContact O-N 2.96Å; K233-K237 VanDerWaalsContact O-N 3.12Å; Q234-K237 PolarHBondContact O-N 3.24Å; H235-K237 PolarHBondContact O-N 3.49Å; K237-E307 WeakPolarHBondContact CE-OE1 3.49Å; K237-E307 IonicContact NZ-OE1 2.65Å; K237-E307 PolarHBondContact NZ-OE1 3.06Å; K237-A738 WeakPolarHBondContact CE-O 3.24Å; K237-A738 PolarHBondContact NZ-O 3.34Å
238L90.1Very high91.3Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-101.1-21.5-158.7-63.5158.3000114.9I159 F229 Q234 H235 S240 A241 I242 E307 I310 L741I159-L238 HydrophobicContact CD1-CD2 3.91Å; F229-L238 HydrophobicContact CE1-CB 3.89Å; F229-L238 HydrophobicContact CE1-CD1 3.63Å; F229-L238 HydrophobicContact CE1-CG 4.4Å; F229-L238 HydrophobicContact CZ-CB 3.68Å; F229-L238 HydrophobicContact CZ-CD1 4.21Å; Q234-L238 HydrophobicContact CB-CD1 4.2Å; Q234-L238 WeakPolarHBondContact O-CB 3.37Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.83Å; H235-L238 PolarHBondContact O-N 3.34Å; L238-S240 VanDerWaalsContact C-N 3.28Å; L238-S240 PolarHBondContact O-N 3.23Å; L238-A241 PolarHBondContact O-N 2.92Å; L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 PolarHBondContact O-N 3.22Å; L238-E307 HydrophobicContact CD1-CB 4.5Å; L238-E307 HydrophobicContact CD1-CG 3.74Å; L238-E307 HydrophobicContact CD2-CG 4.02Å; L238-E307 HydrophobicContact CG-CG 4.5Å; L238-I310 HydrophobicContact CD1-CD1 4.32Å; L238-L741 HydrophobicContact CD2-CD2 3.73Å
239S92.8Very high91.4Very high29 Ų2941.3 Ų41.320%0.20323%0.226CC..Hα-helixtrans-56.4-41-174.360.80000113H235 A241 I242 V243H235-S239 WeakPolarHBondContact O-CB 3.32Å; H235-S239 PolarHBondContact O-N 2.88Å; H235-S239 PolarHBondContact O-OG 2.84Å; S239-A241 PolarHBondContact O-N 3.32Å; S239-I242 PolarHBondContact O-N 3.14Å; S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 3.09Å
240S92.3Very high91.4Very high36 Ų3644.6 Ų44.625%0.25224%0.238SC..Hα-helixtrans-54.4-51177.660.90000112.6L238 I242 V243 F244L238-S240 VanDerWaalsContact C-N 3.28Å; L238-S240 PolarHBondContact O-N 3.23Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 2.97Å; S240-V243 PolarHBondContact O-N 3.15Å; S240-F244 WeakPolarHBondContact O-CB 3.16Å; S240-F244 WeakPolarHBondContact O-CD2 3.08Å; S240-F244 WeakPolarHBondContact O-CG 3.42Å; S240-F244 PolarHBondContact O-N 3.35Å
241A93.8Very high91.6Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-61.6-37.217800000113.1I159 I162 I166 L238 S239 G245I159-A241 HydrophobicContact CD1-CB 3.54Å; I162-A241 HydrophobicContact CG2-CB 3.96Å; I166-A241 HydrophobicContact CD1-CB 4.28Å; I166-A241 VanDerWaalsContact CD1-O 3.22Å; I166-A241 WeakPolarHBondContact CD1-O 3.49Å; L238-A241 PolarHBondContact O-N 2.92Å; S239-A241 PolarHBondContact O-N 3.32Å; A241-G245 PolarHBondContact O-N 2.84Å
242I95.9Very high91.6Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-67.6-45.8179.1-71.2153.7000110.6F222 F227 F229 L238 S239 S240 G245 G246 G247 E248 A249 I310F222-I242 HydrophobicContact CD2-CG1 4.42Å; F222-I242 HydrophobicContact CE2-CG1 4.43Å; F227-I242 HydrophobicContact CB-CD1 3.64Å; F227-I242 HydrophobicContact CB-CG1 4.4Å; F227-I242 HydrophobicContact CB-CG2 4.28Å; F227-I242 HydrophobicContact CD1-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CB 4.43Å; F227-I242 HydrophobicContact CD2-CD1 4.13Å; F227-I242 HydrophobicContact CD2-CG1 3.98Å; F227-I242 HydrophobicContact CD2-CG2 3.57Å; F227-I242 HydrophobicContact CE2-CG1 4.39Å; F227-I242 HydrophobicContact CE2-CG2 4.27Å; F227-I242 HydrophobicContact CG-CD1 3.7Å; F227-I242 HydrophobicContact CG-CG1 4.06Å; F227-I242 HydrophobicContact CG-CG2 4.19Å; F229-I242 HydrophobicContact CE2-CD1 3.62Å; F229-I242 HydrophobicContact CZ-CD1 3.47Å; F229-I242 VanDerWaalsContact CZ-CD1 3.47Å; L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 PolarHBondContact O-N 3.22Å; S239-I242 PolarHBondContact O-N 3.14Å; S240-I242 VanDerWaalsContact C-N 3.31Å; S240-I242 PolarHBondContact O-N 2.97Å; I242-G245 CarbonylContact O-C 3.56Å; I242-G245 WeakPolarHBondContact O-CA 3.47Å; I242-G245 PolarHBondContact O-N 3.3Å; I242-G246 PolarHBondContact O-N 3.45Å; I242-G247 PolarHBondContact O-N 3Å; I242-E248 WeakPolarHBondContact CG2-O 3.5Å; I242-A249 HydrophobicContact CB-CB 4.27Å; I242-A249 HydrophobicContact CD1-CB 4.42Å; I242-A249 HydrophobicContact CG2-CB 4.05Å; I242-I310 HydrophobicContact CD1-CD1 4.42Å; I242-I310 HydrophobicContact CG1-CG2 4.32Å
243V95.7Very high91.2Very high83 Ų8345.6 Ų45.650%0.50324%0.242SC..Hα-helixtrans-64.4-46.5177.71730000111.2S239 S240 G245 G246S239-V243 WeakPolarHBondContact O-CG2 3.46Å; S239-V243 PolarHBondContact O-N 3.09Å; S240-V243 PolarHBondContact O-N 3.15Å; V243-G245 PolarHBondContact O-N 3.3Å; V243-G246 PolarHBondContact O-N 3.4Å
244F94.8Very high90.5Very high32 Ų3242.4 Ų42.414%0.1423%0.229CC..Hα-helixtrans-61-29.5174.6-57.6-32.7000112.4W143 E145 C163 I166 S240 G246W143-F244 AromaticContact CD1-CE2 3.77Å; E145-F244 HydrophobicContact CG-CD1 3.79Å; E145-F244 HydrophobicContact CG-CE1 3.39Å; E145-F244 HydrophobicContact CG-CZ 4.14Å; E145-F244 WeakPolarHBondContact OE1-CD1 3.41Å; E145-F244 WeakPolarHBondContact OE1-CE1 3.32Å; C163-F244 HydrophobicContact CB-CD2 4.09Å; C163-F244 HydrophobicContact CB-CE2 4.3Å; I166-F244 HydrophobicContact CG2-CB 3.66Å; I166-F244 WeakPolarHBondContact CG2-O 3.27Å; S240-F244 WeakPolarHBondContact O-CB 3.16Å; S240-F244 WeakPolarHBondContact O-CD2 3.08Å; S240-F244 WeakPolarHBondContact O-CG 3.42Å; S240-F244 PolarHBondContact O-N 3.35Å; F244-G246 VanDerWaalsContact C-N 3.28Å
245G95.1Very high89.3Confident0 Ų050.2 Ų50.20%027%0.266CS..THydrogen-bonded Turntrans-82.63.5174.700000114.6K219 Q220 I221 F222 A241 I242 V243K219-G245 CarbonylContact C-O 3.47Å; K219-G245 CarbonylContact O-C 3.55Å; K219-G245 VanDerWaalsContact O-C 3.26Å; Q220-G245 CarbonylContact C-O 3.57Å; Q220-G245 VanDerWaalsContact CA-O 3.27Å; Q220-G245 WeakPolarHBondContact CA-O 2.97Å; I221-G245 PolarHBondContact N-O 3.47Å; I221-G245 VanDerWaalsContact N-O 3.1Å; F222-G245 PolarHBondContact N-O 3.04Å; A241-G245 PolarHBondContact O-N 2.84Å; I242-G245 CarbonylContact O-C 3.56Å; I242-G245 WeakPolarHBondContact O-CA 3.47Å; I242-G245 PolarHBondContact O-N 3.3Å; V243-G245 PolarHBondContact O-N 3.3Å
246G95.4Very high88.2Confident32 Ų3251.5 Ų51.533%0.3327%0.274SS..THydrogen-bonded Turntrans82.714.8176.600000115.7K219 K223 I242 V243 F244K219-G246 PolarHBondContact O-N 3.31Å; K223-G246 WeakPolarHBondContact CA-O 3.2Å; I242-G246 PolarHBondContact O-N 3.45Å; V243-G246 PolarHBondContact O-N 3.4Å; F244-G246 VanDerWaalsContact C-N 3.28Å
247G96.1Very high86.9Confident12 Ų1252.6 Ų52.612%0.12428%0.282CS..  trans-100.4167.2174.600000113.3F222 K225 I242F222-G247 VanDerWaalsContact O-CA 3.24Å; F222-G247 WeakPolarHBondContact O-CA 3.26Å; K225-G247 WeakPolarHBondContact O-CA 3.36Å; I242-G247 PolarHBondContact O-N 3Å
248E96.1Very high86.2Confident79 Ų7953.2 Ų53.237%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-89.5141.6170.2-175.9-165.9164.500109.6K225 T226 F227 I242 R250K225-E248 PolarHBondContact O-N 3.27Å; T226-E248 WeakPolarHBondContact CA-O 3.44Å; T226-E248 HydrophobicContact CG2-CB 4Å; T226-E248 HydrophobicContact CG2-CG 3.93Å; T226-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T226-E248 PolarHBondContact OG1-OE2 2.86Å; F227-E248 PolarHBondContact N-O 2.85Å; I242-E248 WeakPolarHBondContact CG2-O 3.5Å; E248-R250 IonicContact OE1-CZ 2.84Å; E248-R250 IonicContact OE1-NE 2.82Å; E248-R250 PolarHBondContact OE1-NE 2.94Å; E248-R250 VanDerWaalsContact OE1-NE 3.07Å; E248-R250 IonicContact OE1-NH2 2.74Å; E248-R250 PolarHBondContact OE1-NH2 3.44Å; E248-R250 IonicContact OE2-NH2 2.79Å
249A95.5Very high85.5Confident22 Ų2259.1 Ų59.118%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-120.9125.3169.100000109.2F229 I242F229-A249 HydrophobicContact CE2-CB 4.15Å; I242-A249 HydrophobicContact CB-CB 4.27Å; I242-A249 HydrophobicContact CD1-CB 4.42Å; I242-A249 HydrophobicContact CG2-CB 4.05Å
250R93Very high84.8Confident68 Ų6862 Ų6226%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-125130.1-179.2-167.4-179.9-58.9-178.36110.4F227 F229 E248 E258 F262F227-R250 PolarHBondContact O-N 2.82Å; F229-R250 PolarHBondContact N-O 3.27Å; E248-R250 IonicContact OE1-CZ 2.84Å; E248-R250 IonicContact OE1-NE 2.82Å; E248-R250 PolarHBondContact OE1-NE 2.94Å; E248-R250 VanDerWaalsContact OE1-NE 3.07Å; E248-R250 IonicContact OE1-NH2 2.74Å; E248-R250 PolarHBondContact OE1-NH2 3.44Å; E248-R250 IonicContact OE2-NH2 2.79Å; R250-E258 WeakPolarHBondContact CD-OE1 3.29Å; R250-E258 IonicContact CZ-OE1 2.67Å; R250-E258 IonicContact NH1-OE1 3.06Å; R250-E258 PolarHBondContact NH1-OE1 3.15Å; R250-E258 IonicContact NH1-OE2 3.23Å; R250-E258 PolarHBondContact NH1-OE2 3.31Å; R250-F262 VanDerWaalsContact CZ-CZ 3.5Å
251L90.9Very high84.4Confident65 Ų6564 Ų6434%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-89.1131165.4177.560.4000108.8F229 A232 H235F229-L251 HydrophobicContact CB-CD1 4.36Å; A232-L251 HydrophobicContact CB-CD1 4.3Å; A232-L251 HydrophobicContact CB-CD2 3.89Å; H235-L251 HydrophobicContact CB-CB 4.29Å; H235-L251 HydrophobicContact CB-CD1 4.14Å
252M85.8Confident84.1Confident6 Ų665.9 Ų65.93%0.0335%0.35CS..  trans-108.5147.7168.3-71.8176.3169.900110.7V228 F229 L230 E258 F262 F263 W289V228-M252 HydrophobicContact CG1-CE 3.89Å; V228-M252 HydrophobicContact CG1-CG 4.02Å; V228-M252 HydrophobicContact CG1-SD 3.35Å; V228-M252 WeakPolarHBondContact CG1-SD 3.47Å; V228-M252 HydrophobicContact CG2-CE 4.41Å; F229-M252 PolarHBondContact O-N 3.08Å; L230-M252 HydrophobicContact CD2-CB 4.39Å; L230-M252 HydrophobicContact CD2-SD 4.49Å; M252-E258 HydrophobicContact CE-CB 4.19Å; M252-E258 HydrophobicContact CE-CG 4.19Å; M252-E258 VanDerWaalsContact CE-OE1 3.25Å; M252-E258 WeakPolarHBondContact CE-OE1 3.47Å; M252-F262 HydrophobicContact CE-CD1 3.62Å; M252-F262 HydrophobicContact CE-CE1 3.44Å; M252-F262 VanDerWaalsContact CE-CE1 3.44Å; M252-F263 HydrophobicContact CE-CE1 3.74Å; M252-F263 HydrophobicContact CE-CE2 4.32Å; M252-F263 HydrophobicContact CE-CZ 3.59Å; M252-F263 HydrophobicContact SD-CE1 3.49Å; M252-F263 WeakPolarHBondContact SD-CE1 3.25Å; M252-F263 HydrophobicContact SD-CZ 3.43Å; M252-F263 WeakPolarHBondContact SD-CZ 3.24Å; M252-W289 HydrophobicContact CB-CH2 3.65Å; M252-W289 HydrophobicContact CB-CZ2 3.84Å
253A77.9Confident83.5Confident47 Ų4766.5 Ų66.539%0.38835%0.353SS..  trans-121168.5169.200000110E255 N256 W289A253-E255 PolarHBondContact O-N 3.4Å; A253-E255 VanDerWaalsContact O-N 3.12Å; A253-N256 PolarHBondContact O-N 3.26Å; A253-N256 VanDerWaalsContact O-N 3.08Å; A253-W289 VanDerWaalsContact O-CZ2 3.27Å; A253-W289 WeakPolarHBondContact O-CZ2 3.37Å
254E68.4Low83Confident89 Ų8964.5 Ų64.542%0.41634%0.342SS..THydrogen-bonded Turntrans-60.1-20.3-179.9-170.7165.1-165.800113.4S285 Q286 W289E254-S285 VanDerWaalsContact OE1-C 3.25Å; E254-S285 WeakPolarHBondContact OE1-CB 2.95Å; E254-S285 WeakPolarHBondContact OE2-CB 3.43Å; E254-S285 PolarHBondContact OE2-OG 3.08Å; E254-Q286 PolarHBondContact OE2-N 2.95Å; E254-W289 HydrophobicContact CB-CD2 4.41Å; E254-W289 HydrophobicContact CB-CG 4.33Å; E254-W289 HydrophobicContact CG-CB 4.12Å; E254-W289 HydrophobicContact CG-CG 4.14Å
255E60.7Low82.6Confident182 Ų18264.8 Ų64.885%0.8535%0.35SS*.THydrogen-bonded Turntrans-84.5-9178.4-57.6-178.7164.500114.2A253 E257A253-E255 PolarHBondContact O-N 3.4Å; A253-E255 VanDerWaalsContact O-N 3.12Å; E255-E257 PolarHBondContact O-N 3.02Å
256N65.9Low82.2Confident74 Ų7470.9 Ų70.940%0.39639%0.39SS..  trans-86.199.9-176.6-69.41.8000111.3A253 E258A253-N256 PolarHBondContact O-N 3.26Å; A253-N256 VanDerWaalsContact O-N 3.08Å; N256-E258 VanDerWaalsContact C-N 3.28Å; N256-E258 PolarHBondContact O-N 3.31Å
257E62.5Low81.9Confident204 Ų20470.4 Ų70.495%0.95339%0.385SS*.  trans-71.675.4169.7-64.8-170.8165.900111.7E255E255-E257 PolarHBondContact O-N 3.02Å
258E72.7Confident81.7Confident57 Ų5770.2 Ų70.227%0.26638%0.382SS..  trans-97.3132.1166.6-67.2-154.4-127.700111.5R250 M252 N256 F262 F263R250-E258 WeakPolarHBondContact CD-OE1 3.29Å; R250-E258 IonicContact CZ-OE1 2.67Å; R250-E258 IonicContact NH1-OE1 3.06Å; R250-E258 PolarHBondContact NH1-OE1 3.15Å; R250-E258 IonicContact NH1-OE2 3.23Å; R250-E258 PolarHBondContact NH1-OE2 3.31Å; M252-E258 HydrophobicContact CE-CB 4.19Å; M252-E258 HydrophobicContact CE-CG 4.19Å; M252-E258 VanDerWaalsContact CE-OE1 3.25Å; M252-E258 WeakPolarHBondContact CE-OE1 3.47Å; N256-E258 VanDerWaalsContact C-N 3.28Å; N256-E258 PolarHBondContact O-N 3.31Å; E258-F262 WeakPolarHBondContact OE2-CD1 3.48Å; E258-F262 VanDerWaalsContact OE2-CG 3.27Å; E258-F262 WeakPolarHBondContact OE2-CG 3.42Å; E258-F263 HydrophobicContact CB-CE2 4.41Å
259D75.3Confident81.6Confident124 Ų12466.5 Ų66.566%0.66336%0.364SS*.  trans-58.3150.4-179.2-79.2-39.3000113.5S261 F262 F263D259-S261 WeakPolarHBondContact CB-OG 3.45Å; D259-S261 PolarHBondContact O-N 3.45Å; D259-F262 PolarHBondContact O-N 2.92Å; D259-F263 WeakPolarHBondContact O-CD2 3.48Å
260E78.1Confident81.5Confident90 Ų9065.5 Ų65.542%0.42136%0.356SS..Hα-helixtrans-53.9-22.7168.1-59.7-161137.600112.7S264 M296 R299E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 3.42Å; E260-S264 PolarHBondContact O-OG 3.46Å; E260-M296 HydrophobicContact CB-CG 4.37Å; E260-M296 HydrophobicContact CG-CG 4.1Å; E260-R299 IonicContact OE1-CZ 2.67Å; E260-R299 VanDerWaalsContact OE1-CZ 3.23Å; E260-R299 IonicContact OE1-NH1 2.68Å; E260-R299 PolarHBondContact OE1-NH1 2.68Å; E260-R299 IonicContact OE1-NH2 3.67Å; E260-R299 PolarHBondContact OE1-NH2 3.49Å; E260-R299 IonicContact OE2-NH1 3.54Å; E260-R299 PolarHBondContact OE2-NH1 2.71Å
261S82.9Confident81.4Confident79 Ų7962.3 Ų62.355%0.55234%0.344SS*.Hα-helixtrans-65.8-32.117676.40000113.6D259 S264 A265D259-S261 WeakPolarHBondContact CB-OG 3.45Å; D259-S261 PolarHBondContact O-N 3.45Å; S261-S264 PolarHBondContact O-N 3.21Å; S261-A265 PolarHBondContact O-N 3.29Å
262F87Confident81.3Confident38 Ų3861.7 Ų61.717%0.16734%0.341CS..Hα-helixtrans-70.2-46.2179.1172.8-97.7000111.7T226 V228 R250 M252 E258 D259 S264 A265 T268T226-F262 HydrophobicContact CG2-CZ 3.99Å; V228-F262 HydrophobicContact CG2-CE1 3.73Å; V228-F262 HydrophobicContact CG2-CZ 4.24Å; R250-F262 VanDerWaalsContact CZ-CZ 3.5Å; M252-F262 HydrophobicContact CE-CD1 3.62Å; M252-F262 HydrophobicContact CE-CE1 3.44Å; M252-F262 VanDerWaalsContact CE-CE1 3.44Å; E258-F262 WeakPolarHBondContact OE2-CD1 3.48Å; E258-F262 VanDerWaalsContact OE2-CG 3.27Å; E258-F262 WeakPolarHBondContact OE2-CG 3.42Å; D259-F262 PolarHBondContact O-N 2.92Å; F262-S264 PolarHBondContact O-N 3.07Å; F262-A265 VanDerWaalsContact O-CB 3.22Å; F262-A265 WeakPolarHBondContact O-CB 3.21Å; F262-A265 PolarHBondContact O-N 3.22Å; F262-T268 HydrophobicContact CD1-CG2 4.5Å; F262-T268 HydrophobicContact CE1-CG2 4.04Å; F262-T268 HydrophobicContact CZ-CG2 4.38Å; F262-T268 PolarHBondContact O-OG1 3.25Å
263F84.1Confident80.9Confident14 Ų1461.9 Ų61.96%0.06134%0.342CS..Hα-helixtrans-64.3-29.4175.2-60-88.1000112.5V228 M252 E258 D259 A265 V270 I293 M296V228-F263 HydrophobicContact CG1-CE1 4.27Å; M252-F263 HydrophobicContact CE-CE1 3.74Å; M252-F263 HydrophobicContact CE-CE2 4.32Å; M252-F263 HydrophobicContact CE-CZ 3.59Å; M252-F263 HydrophobicContact SD-CE1 3.49Å; M252-F263 WeakPolarHBondContact SD-CE1 3.25Å; M252-F263 HydrophobicContact SD-CZ 3.43Å; M252-F263 WeakPolarHBondContact SD-CZ 3.24Å; E258-F263 HydrophobicContact CB-CE2 4.41Å; D259-F263 WeakPolarHBondContact O-CD2 3.48Å; F263-A265 VanDerWaalsContact C-N 3.31Å; F263-V270 HydrophobicContact CD1-CG2 3.84Å; F263-V270 HydrophobicContact CE1-CG2 4.44Å; F263-I293 HydrophobicContact CD1-CG2 4.35Å; F263-I293 HydrophobicContact CE1-CD1 4.11Å; F263-I293 HydrophobicContact CE1-CG1 4.43Å; F263-I293 HydrophobicContact CE1-CG2 4.11Å; F263-I293 HydrophobicContact CZ-CD1 4.03Å; F263-I293 HydrophobicContact CZ-CG1 4.35Å; F263-M296 HydrophobicContact CB-CE 3.31Å; F263-M296 HydrophobicContact CB-SD 3.72Å; F263-M296 HydrophobicContact CD1-CE 3.69Å; F263-M296 HydrophobicContact CD2-CE 3.71Å; F263-M296 HydrophobicContact CE1-CE 4.37Å; F263-M296 HydrophobicContact CE2-CE 4.4Å; F263-M296 HydrophobicContact CG-CE 3.29Å; F263-M296 HydrophobicContact CG-SD 4.29Å
264S84.1Confident80.4Confident41 Ų4160.2 Ų60.229%0.28733%0.329SS..THydrogen-bonded Turntrans-79.7-6.5174.7-59.40000114.1E260 S261 F262 H300E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 3.42Å; E260-S264 PolarHBondContact O-OG 3.46Å; S261-S264 PolarHBondContact O-N 3.21Å; F262-S264 PolarHBondContact O-N 3.07Å; S264-H300 PolarHBondContact OG-CE1 3.33Å; S264-H300 PolarHBondContact OG-ND1 3.02Å
265A87.6Confident79.8Confident37 Ų3759.7 Ų59.731%0.30633%0.329SS..SBendtrans-71.6141.8-173.400000112.4S261 F262 F263 G267 T268S261-A265 PolarHBondContact O-N 3.29Å; F262-A265 VanDerWaalsContact O-CB 3.22Å; F262-A265 WeakPolarHBondContact O-CB 3.21Å; F262-A265 PolarHBondContact O-N 3.22Å; F263-A265 VanDerWaalsContact C-N 3.31Å; A265-G267 PolarHBondContact O-N 2.94Å; A265-G267 VanDerWaalsContact O-N 3.16Å; A265-T268 WeakPolarHBondContact O-CB 3.36Å; A265-T268 PolarHBondContact O-N 3.04Å; A265-T268 VanDerWaalsContact O-N 3.09Å; A265-T268 PolarHBondContact O-OG1 3.2Å
266P87.3Confident79.1Confident128 Ų12855.4 Ų55.483%0.83132%0.315SS*.THydrogen-bonded Turntrans-59.3119.9177.6-2434.3000112
267G87.5Confident77.8Confident22 Ų2257.4 Ų57.423%0.22733%0.326CS..THydrogen-bonded Turntrans103.1-15.3-178.400000114.6K225 T226 A265 C269K225-G267 WeakPolarHBondContact CA-O 3.35Å; T226-G267 PolarHBondContact N-O 3.04Å; T226-G267 VanDerWaalsContact N-O 3.1Å; A265-G267 PolarHBondContact O-N 2.94Å; A265-G267 VanDerWaalsContact O-N 3.16Å; G267-C269 PolarHBondContact O-N 3.26Å; G267-C269 PolarHBondContact O-SG 2.87Å
268T93.6Very high76.9Confident9 Ų954 Ų546%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-67.9126175-54.80000110.7T226 V228 F262 A265T226-T268 WeakPolarHBondContact O-CA 3.45Å; V228-T268 HydrophobicContact CG2-CG2 3.72Å; F262-T268 HydrophobicContact CD1-CG2 4.5Å; F262-T268 HydrophobicContact CE1-CG2 4.04Å; F262-T268 HydrophobicContact CZ-CG2 4.38Å; F262-T268 PolarHBondContact O-OG1 3.25Å; A265-T268 WeakPolarHBondContact O-CB 3.36Å; A265-T268 PolarHBondContact O-N 3.04Å; A265-T268 VanDerWaalsContact O-N 3.09Å; A265-T268 PolarHBondContact O-OG1 3.2Å
269C93.3Very high75.8Confident0 Ų060.1 Ų60.10%035%0.348CS..EExtended strand (participates in β ladder)trans-127.894.8-174.1-66.20000109.9T226 F227 V228 G267 V271 I305T226-C269 PolarHBondContact O-N 2.95Å; F227-C269 WeakPolarHBondContact CA-O 3.49Å; F227-C269 HydrophobicContact CD1-CB 3.89Å; F227-C269 HydrophobicContact CE1-CB 3.99Å; F227-C269 HydrophobicContact CG-CB 4.28Å; F227-C269 HydrophobicContact CZ-CB 4.45Å; V228-C269 PolarHBondContact N-O 3.04Å; G267-C269 PolarHBondContact O-N 3.26Å; G267-C269 PolarHBondContact O-SG 2.87Å; C269-V271 PolarHBondContact O-N 2.99Å; C269-I305 HydrophobicContact CB-CG1 4.12Å
270V93.1Very high74.9Confident2 Ų257.6 Ų57.61%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-72.4126.1175.3-174.70000109.9V228 L230 F263 I293 M294 L297 P304 I305V228-V270 HydrophobicContact CB-CG2 4.15Å; V228-V270 HydrophobicContact CG1-CG2 4.39Å; L230-V270 HydrophobicContact CD1-CG1 4.01Å; L230-V270 HydrophobicContact CD2-CG1 4.49Å; L230-V270 HydrophobicContact CG-CG1 4.17Å; F263-V270 HydrophobicContact CD1-CG2 3.84Å; F263-V270 HydrophobicContact CE1-CG2 4.44Å; V270-I293 HydrophobicContact CG1-CG2 4.26Å; V270-M294 HydrophobicContact CG1-CE 4.02Å; V270-L297 HydrophobicContact CB-CD1 3.77Å; V270-L297 HydrophobicContact CG1-CD1 4.08Å; V270-L297 HydrophobicContact CG2-CD1 3.9Å; V270-L297 HydrophobicContact CG2-CD2 3.99Å; V270-L297 HydrophobicContact CG2-CG 4.46Å; V270-P304 CarbonylContact O-C 3.33Å; V270-P304 WeakPolarHBondContact O-CA 3.43Å; V270-I305 PolarHBondContact O-N 2.8Å
271V91.7Very high73.8Confident1 Ų161.6 Ų61.61%0.00636%0.356CS..BIsolated β-bridgetrans-85133.4-177.9-178.10000110.4F227 V228 F229 C269 I305 I310F227-V271 HydrophobicContact CB-CG2 4.44Å; F227-V271 HydrophobicContact CD1-CG2 3.98Å; V228-V271 PolarHBondContact O-N 2.99Å; F229-V271 HydrophobicContact CD1-CB 4.03Å; F229-V271 HydrophobicContact CD1-CG1 4.23Å; F229-V271 HydrophobicContact CD1-CG2 4.1Å; F229-V271 HydrophobicContact CE1-CB 3.98Å; F229-V271 HydrophobicContact CE1-CG1 3.92Å; F229-V271 HydrophobicContact CE1-CG2 3.72Å; F229-V271 HydrophobicContact CE2-CG2 4.42Å; F229-V271 HydrophobicContact CZ-CG2 3.92Å; C269-V271 PolarHBondContact O-N 2.99Å; V271-I305 WeakPolarHBondContact CA-O 3.06Å; V271-I310 HydrophobicContact CG1-CD1 4.5Å; V271-I310 HydrophobicContact CG2-CD1 4.28Å
272D87.8Confident73Confident52 Ų5259 Ų5928%0.27834%0.336SS..PPolyproline II helixtrans-69.2137.3175.4-176.614.4000111.2Q234 G274 P304 I305Q234-D272 PolarHBondContact NE2-O 3.24Å; D272-G274 PolarHBondContact OD1-N 3.38Å; D272-P304 HydrophobicContact CB-CB 4.16Å; D272-I305 PolarHBondContact N-O 2.81Å
273I78.2Confident72.4Confident9 Ų960.4 Ų60.45%0.04635%0.347CS..  trans-84.3-17.4178.6-51.9173.3000111.2L230 I275 I280 I282 I290L230-I273 HydrophobicContact CB-CD1 3.68Å; L230-I273 HydrophobicContact CB-CG1 4.21Å; L230-I273 HydrophobicContact CD1-CD1 4.27Å; I273-I275 HydrophobicContact CB-CG1 4.04Å; I273-I275 HydrophobicContact CG2-CG1 4.43Å; I273-I280 HydrophobicContact CG2-CD1 4.02Å; I273-I282 HydrophobicContact CG2-CD1 4.32Å; I273-I290 HydrophobicContact CD1-CB 4.29Å; I273-I290 HydrophobicContact CD1-CD1 3.37Å; I273-I290 HydrophobicContact CD1-CG1 3.59Å; I273-I290 HydrophobicContact CD1-CG2 3.65Å
274G67.1Low72Confident12 Ų1265.3 Ų65.312%0.12437%0.374CS..  trans66.653.8-178.400000111.3D272 T276 Y744D272-G274 PolarHBondContact OD1-N 3.38Å; G274-T276 PolarHBondContact O-N 3.29Å; G274-Y744 PolarHBondContact O-OH 2.88Å
275I55.8Low71.7Confident78 Ų7866 Ų6640%0.438%0.379SS..THydrogen-bonded Turntrans-67.3-3.6-170.1-41.9176.7000112.9I273 N277 I290I273-I275 HydrophobicContact CB-CG1 4.04Å; I273-I275 HydrophobicContact CG2-CG1 4.43Å; I275-N277 VanDerWaalsContact C-N 3.29Å; I275-N277 PolarHBondContact O-N 3.07Å; I275-N277 VanDerWaalsContact O-N 3.08Å; I275-I290 HydrophobicContact CD1-CG2 3.68Å
276T46.6Very low71.3Confident93 Ų9368.1 Ų68.157%0.57138%0.383SS*.THydrogen-bonded Turntrans-70.7-7.7-165.472.60000116.9G274 Y744G274-T276 PolarHBondContact O-N 3.29Å; T276-Y744 PolarHBondContact OG1-OH 2.9Å
277N37.7Very low71Confident115 Ų11565.5 Ų65.562%0.61536%0.359SS*.SBendtrans-154.299.5173.4-97-61.4000114.8I275 Q279I275-N277 VanDerWaalsContact C-N 3.29Å; I275-N277 PolarHBondContact O-N 3.07Å; I275-N277 VanDerWaalsContact O-N 3.08Å; N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.15Å
278T44.1Very low70.8Confident134 Ų13468.6 Ų68.682%0.82237%0.373SS*.SBend49.8-2.412956.80000122.9
279Q49.6Very low70.3Confident184 Ų18470 Ų7086%0.8638%0.377SS*.  trans-107-5.7-177.3-69-167.4-31.600115.2N277N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.15Å
280I55.2Low69.9Low71 Ų7170.1 Ų70.136%0.36438%0.378SS..  trans-101.5116.8175.8-39.4179.5000109I273 I282I273-I280 HydrophobicContact CG2-CD1 4.02Å; I280-I282 HydrophobicContact CB-CD1 4Å; I280-I282 HydrophobicContact CB-CG1 3.85Å; I280-I282 HydrophobicContact CD1-CD1 4.48Å; I280-I282 HydrophobicContact CG2-CD1 3.83Å; I280-I282 HydrophobicContact CG2-CG1 3.42Å; I280-I282 VanDerWaalsContact CG2-CG1 3.42Å; I280-I282 PolarHBondContact O-N 3.42Å; I280-I282 VanDerWaalsContact O-N 3.17Å
281I56Low69.6Low175 Ų17575 Ų7590%0.89740%0.401SS*.  trans-74.1102.4166.2-55.4175.4000106.4
282I66Low69.4Low24 Ų2480.1 Ų80.112%0.12343%0.427CS..  trans-118.3140.3175.9-55.3-179.8000106.3I273 I280 Q286 K287 I290I273-I282 HydrophobicContact CG2-CD1 4.32Å; I280-I282 HydrophobicContact CB-CD1 4Å; I280-I282 HydrophobicContact CB-CG1 3.85Å; I280-I282 HydrophobicContact CD1-CD1 4.48Å; I280-I282 HydrophobicContact CG2-CD1 3.83Å; I280-I282 HydrophobicContact CG2-CG1 3.42Å; I280-I282 VanDerWaalsContact CG2-CG1 3.42Å; I280-I282 PolarHBondContact O-N 3.42Å; I280-I282 VanDerWaalsContact O-N 3.17Å; I282-Q286 HydrophobicContact CG2-CB 3.49Å; I282-Q286 VanDerWaalsContact CG2-CB 3.49Å; I282-K287 HydrophobicContact CB-CG 4.22Å; I282-K287 HydrophobicContact CG2-CG 3.88Å; I282-K287 WeakPolarHBondContact O-CE 3.36Å; I282-K287 PolarHBondContact O-NZ 2.75Å; I282-I290 HydrophobicContact CG2-CD1 4.23Å
283T74.8Confident69.4Low67 Ų6778.1 Ų78.141%0.41142%0.417SS..  trans-67.2157.2175.568.40000110.7S285 Q286 K287T283-S285 PolarHBondContact O-N 2.93Å; T283-S285 PolarHBondContact OG1-OG 3.07Å; T283-Q286 PolarHBondContact O-N 2.77Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.37Å; T283-Q286 VanDerWaalsContact OG1-CD 3.27Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.15Å; T283-Q286 PolarHBondContact OG1-N 3.12Å; T283-Q286 VanDerWaalsContact OG1-N 3.14Å; T283-Q286 PolarHBondContact OG1-OE1 3.44Å; T283-K287 WeakPolarHBondContact O-CG 3.43Å; T283-K287 PolarHBondContact O-N 2.79Å
284D75.3Confident69.9Low117 Ų11779.5 Ų79.563%0.62642%0.423SS*.Hα-helixtrans-70.9-21.4177.7-64.9-42.8000112.7K287 T288D284-K287 WeakPolarHBondContact OD1-CD 3.47Å; D284-K287 IonicContact OD1-NZ 3.77Å; D284-K287 PolarHBondContact OD1-NZ 2.97Å; D284-T288 PolarHBondContact O-N 3.15Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.4Å
285S78.2Confident70.9Confident56 Ų5683.5 Ų83.539%0.39244%0.442SS..Hα-helixtrans-66.7-56.2170.174.50000110.7E254 T283 K287 T288 W289E254-S285 VanDerWaalsContact OE1-C 3.25Å; E254-S285 WeakPolarHBondContact OE1-CB 2.95Å; E254-S285 WeakPolarHBondContact OE2-CB 3.43Å; E254-S285 PolarHBondContact OE2-OG 3.08Å; T283-S285 PolarHBondContact O-N 2.93Å; T283-S285 PolarHBondContact OG1-OG 3.07Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 2.88Å; S285-T288 WeakPolarHBondContact O-CA 3.45Å; S285-T288 VanDerWaalsContact O-CB 3.32Å; S285-T288 WeakPolarHBondContact O-CB 3.08Å; S285-T288 PolarHBondContact O-N 3.17Å; S285-W289 PolarHBondContact O-N 3.41Å
286Q77.8Confident72.5Confident81 Ų8180 Ų8038%0.37942%0.424SS..Hα-helixtrans-54.7-43.9175.3-74165.6-2.700111.7E254 I282 T283 T288 W289 I290E254-Q286 PolarHBondContact OE2-N 2.95Å; I282-Q286 HydrophobicContact CG2-CB 3.49Å; I282-Q286 VanDerWaalsContact CG2-CB 3.49Å; T283-Q286 PolarHBondContact O-N 2.77Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.37Å; T283-Q286 VanDerWaalsContact OG1-CD 3.27Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.15Å; T283-Q286 PolarHBondContact OG1-N 3.12Å; T283-Q286 VanDerWaalsContact OG1-N 3.14Å; T283-Q286 PolarHBondContact OG1-OE1 3.44Å; Q286-T288 VanDerWaalsContact C-N 3.3Å; Q286-T288 PolarHBondContact O-N 2.79Å; Q286-W289 PolarHBondContact O-N 3.12Å; Q286-I290 WeakPolarHBondContact O-CB 3.35Å; Q286-I290 VanDerWaalsContact O-CD1 3.25Å; Q286-I290 WeakPolarHBondContact O-CD1 3.31Å; Q286-I290 WeakPolarHBondContact O-CG1 3.15Å; Q286-I290 PolarHBondContact O-N 3.21Å
287K81.1Confident74.5Confident74 Ų7475.8 Ų75.832%0.32240%0.398SS..Hα-helixtrans-57.4-43174.2-72.4169.4-154.2147.10111.9I282 T283 D284 S285 I290 H291I282-K287 HydrophobicContact CB-CG 4.22Å; I282-K287 HydrophobicContact CG2-CG 3.88Å; I282-K287 WeakPolarHBondContact O-CE 3.36Å; I282-K287 PolarHBondContact O-NZ 2.75Å; T283-K287 WeakPolarHBondContact O-CG 3.43Å; T283-K287 PolarHBondContact O-N 2.79Å; D284-K287 WeakPolarHBondContact OD1-CD 3.47Å; D284-K287 IonicContact OD1-NZ 3.77Å; D284-K287 PolarHBondContact OD1-NZ 2.97Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 2.88Å; K287-I290 PolarHBondContact O-N 2.78Å; K287-H291 PolarHBondContact O-N 3.17Å; K287-H291 VanDerWaalsContact O-N 3.09Å; K287-H291 PolarHBondContact O-ND1 3.39Å
288T83.1Confident76.9Confident87 Ų8777.4 Ų77.453%0.53440%0.402SS..Hα-helixtrans-65.5-48179.7-55.80000110.7D284 S285 Q286 I290 H291 L292D284-T288 PolarHBondContact O-N 3.15Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.4Å; S285-T288 WeakPolarHBondContact O-CA 3.45Å; S285-T288 VanDerWaalsContact O-CB 3.32Å; S285-T288 WeakPolarHBondContact O-CB 3.08Å; S285-T288 PolarHBondContact O-N 3.17Å; Q286-T288 VanDerWaalsContact C-N 3.3Å; Q286-T288 PolarHBondContact O-N 2.79Å; T288-I290 PolarHBondContact O-N 3.09Å; T288-H291 PolarHBondContact O-N 3.15Å; T288-H291 VanDerWaalsContact O-N 3.15Å; T288-L292 WeakPolarHBondContact O-CG 3.3Å; T288-L292 PolarHBondContact O-N 3.1Å
289W83.6Confident79.1Confident37 Ų3778.4 Ų78.414%0.1439%0.39CS..Hα-helixtrans-57.6-42.9174.7175.679.1000113L230 M252 A253 E254 S285 Q286 H291 L292 I293L230-W289 HydrophobicContact CB-CH2 4.34Å; L230-W289 HydrophobicContact CB-CZ3 3.95Å; L230-W289 HydrophobicContact CD2-CH2 3.59Å; L230-W289 HydrophobicContact CD2-CZ2 4.27Å; L230-W289 HydrophobicContact CD2-CZ3 3.97Å; L230-W289 HydrophobicContact CG-CZ3 4.45Å; M252-W289 HydrophobicContact CB-CH2 3.65Å; M252-W289 HydrophobicContact CB-CZ2 3.84Å; A253-W289 VanDerWaalsContact O-CZ2 3.27Å; A253-W289 WeakPolarHBondContact O-CZ2 3.37Å; E254-W289 HydrophobicContact CB-CD2 4.41Å; E254-W289 HydrophobicContact CB-CG 4.33Å; E254-W289 HydrophobicContact CG-CB 4.12Å; E254-W289 HydrophobicContact CG-CG 4.14Å; S285-W289 PolarHBondContact O-N 3.41Å; Q286-W289 PolarHBondContact O-N 3.12Å; W289-H291 PolarHBondContact O-N 3.13Å; W289-L292 PolarHBondContact O-N 3.18Å; W289-I293 HydrophobicContact CD2-CD1 4.08Å; W289-I293 HydrophobicContact CH2-CD1 4.11Å; W289-I293 HydrophobicContact CZ2-CD1 3.6Å; W289-I293 PolarHBondContact O-N 2.92Å; W289-I293 VanDerWaalsContact O-N 3.1Å
290I86.2Confident80.8Confident4 Ų474 Ų742%0.02137%0.369CS..Hα-helixtrans-59.6-44.8174.2-69.4157.6000111.4L230 I273 I275 I282 Q286 K287 T288 I293 M294L230-I290 HydrophobicContact CB-CG1 4.36Å; L230-I290 HydrophobicContact CD1-CG1 4.34Å; L230-I290 HydrophobicContact CD1-CG2 4.42Å; I273-I290 HydrophobicContact CD1-CB 4.29Å; I273-I290 HydrophobicContact CD1-CD1 3.37Å; I273-I290 HydrophobicContact CD1-CG1 3.59Å; I273-I290 HydrophobicContact CD1-CG2 3.65Å; I275-I290 HydrophobicContact CD1-CG2 3.68Å; I282-I290 HydrophobicContact CG2-CD1 4.23Å; Q286-I290 WeakPolarHBondContact O-CB 3.35Å; Q286-I290 VanDerWaalsContact O-CD1 3.25Å; Q286-I290 WeakPolarHBondContact O-CD1 3.31Å; Q286-I290 WeakPolarHBondContact O-CG1 3.15Å; Q286-I290 PolarHBondContact O-N 3.21Å; K287-I290 PolarHBondContact O-N 2.78Å; T288-I290 PolarHBondContact O-N 3.09Å; I290-I293 PolarHBondContact O-N 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.4Å; I290-M294 PolarHBondContact O-N 3.06Å
291H86.3Confident82.3Confident105 Ų10573.6 Ų73.649%0.48638%0.383SS..Hα-helixtrans-64.9-39.3177.8-75.580000111.8K287 T288 W289 I293 M294 D295K287-H291 PolarHBondContact O-N 3.17Å; K287-H291 VanDerWaalsContact O-N 3.09Å; K287-H291 PolarHBondContact O-ND1 3.39Å; T288-H291 PolarHBondContact O-N 3.15Å; T288-H291 VanDerWaalsContact O-N 3.15Å; W289-H291 PolarHBondContact O-N 3.13Å; H291-I293 VanDerWaalsContact C-N 3.31Å; H291-I293 PolarHBondContact O-N 2.88Å; H291-M294 PolarHBondContact O-N 2.83Å; H291-M294 VanDerWaalsContact O-N 3.17Å; H291-D295 WeakPolarHBondContact O-CB 3.45Å; H291-D295 PolarHBondContact O-N 3.44Å
292L87.8Confident84Confident108 Ų10866.3 Ų66.357%0.56535%0.346SS*.Hα-helixtrans-59.2-40.9175.4-68.4171.9000112.1T288 W289 M296T288-L292 WeakPolarHBondContact O-CG 3.3Å; T288-L292 PolarHBondContact O-N 3.1Å; W289-L292 PolarHBondContact O-N 3.18Å; L292-M296 VanDerWaalsContact O-CB 3.25Å; L292-M296 WeakPolarHBondContact O-CB 3.09Å; L292-M296 PolarHBondContact O-N 3.38Å
293I88.1Confident85.2Confident10 Ų1067 Ų675%0.05135%0.346CS..Hα-helixtrans-67.1-41.3175.1-68.6174.4000111.2L230 F263 V270 W289 I290 H291 M296 L297L230-I293 HydrophobicContact CD1-CB 4.37Å; L230-I293 HydrophobicContact CD1-CD1 4.24Å; L230-I293 HydrophobicContact CD1-CG2 4.06Å; L230-I293 HydrophobicContact CD2-CD1 3.67Å; F263-I293 HydrophobicContact CD1-CG2 4.35Å; F263-I293 HydrophobicContact CE1-CD1 4.11Å; F263-I293 HydrophobicContact CE1-CG1 4.43Å; F263-I293 HydrophobicContact CE1-CG2 4.11Å; F263-I293 HydrophobicContact CZ-CD1 4.03Å; F263-I293 HydrophobicContact CZ-CG1 4.35Å; V270-I293 HydrophobicContact CG1-CG2 4.26Å; W289-I293 HydrophobicContact CD2-CD1 4.08Å; W289-I293 HydrophobicContact CH2-CD1 4.11Å; W289-I293 HydrophobicContact CZ2-CD1 3.6Å; W289-I293 PolarHBondContact O-N 2.92Å; W289-I293 VanDerWaalsContact O-N 3.1Å; I290-I293 PolarHBondContact O-N 3.27Å; H291-I293 VanDerWaalsContact C-N 3.31Å; H291-I293 PolarHBondContact O-N 2.88Å; I293-M296 HydrophobicContact CB-CE 4.47Å; I293-M296 HydrophobicContact CG2-CE 3.95Å; I293-M296 PolarHBondContact O-N 3.2Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 3.31Å
294M88.7Confident85.9Confident38 Ų3865.6 Ų65.619%0.18734%0.339CS..Hα-helixtrans-67-41.5178.4-64.2-62147.500112.5L230 V270 I290 H291 M296 L297 Q298 P304L230-M294 HydrophobicContact CD1-CE 3.71Å; V270-M294 HydrophobicContact CG1-CE 4.02Å; I290-M294 WeakPolarHBondContact O-CG 3.4Å; I290-M294 PolarHBondContact O-N 3.06Å; H291-M294 PolarHBondContact O-N 2.83Å; H291-M294 VanDerWaalsContact O-N 3.17Å; M294-M296 VanDerWaalsContact C-N 3.33Å; M294-M296 PolarHBondContact O-N 3.26Å; M294-L297 HydrophobicContact CE-CD1 4.49Å; M294-L297 PolarHBondContact O-N 2.99Å; M294-L297 HydrophobicContact SD-CD1 4.11Å; M294-Q298 WeakPolarHBondContact O-CB 3.49Å; M294-Q298 PolarHBondContact O-N 3.49Å; M294-P304 HydrophobicContact CE-CB 4.18Å; M294-P304 HydrophobicContact SD-CB 3.81Å; M294-P304 HydrophobicContact SD-CG 3.79Å
295D87.8Confident86.7Confident95 Ų9560 Ų6051%0.50831%0.309SS..Hα-helixtrans-65.2-36.2174.5-78.4-3.7000111.8H291 R299H291-D295 WeakPolarHBondContact O-CB 3.45Å; H291-D295 PolarHBondContact O-N 3.44Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.12Å
296M88.1Confident87.3Confident6 Ų659.6 Ų59.63%0.0331%0.305CS..Hα-helixtrans-64.1-49.7172.6172.9-78.2-62.500111.4E260 F263 L292 I293 M294 Q298 R299 H300E260-M296 HydrophobicContact CB-CG 4.37Å; E260-M296 HydrophobicContact CG-CG 4.1Å; F263-M296 HydrophobicContact CB-CE 3.31Å; F263-M296 HydrophobicContact CB-SD 3.72Å; F263-M296 HydrophobicContact CD1-CE 3.69Å; F263-M296 HydrophobicContact CD2-CE 3.71Å; F263-M296 HydrophobicContact CE1-CE 4.37Å; F263-M296 HydrophobicContact CE2-CE 4.4Å; F263-M296 HydrophobicContact CG-CE 3.29Å; F263-M296 HydrophobicContact CG-SD 4.29Å; L292-M296 VanDerWaalsContact O-CB 3.25Å; L292-M296 WeakPolarHBondContact O-CB 3.09Å; L292-M296 PolarHBondContact O-N 3.38Å; I293-M296 HydrophobicContact CB-CE 4.47Å; I293-M296 HydrophobicContact CG2-CE 3.95Å; I293-M296 PolarHBondContact O-N 3.2Å; M294-M296 VanDerWaalsContact C-N 3.33Å; M294-M296 PolarHBondContact O-N 3.26Å; M296-Q298 VanDerWaalsContact C-N 3.27Å; M296-Q298 PolarHBondContact O-N 3.2Å; M296-R299 WeakPolarHBondContact O-CB 3.39Å; M296-R299 PolarHBondContact O-N 3Å; M296-R299 VanDerWaalsContact O-N 3.1Å; M296-H300 PolarHBondContact O-CD2 2.78Å; M296-H300 VanDerWaalsContact O-CD2 3.29Å; M296-H300 PolarHBondContact O-N 3.06Å; M296-H300 VanDerWaalsContact O-N 3.08Å
297L89.4Confident87.8Confident4 Ų457.6 Ų57.62%0.02130%0.296CS..Hα-helixtrans-56.2-45.4175.7-69.6169.2000110.8V270 I293 M294 R299 H300 G301 L302V270-L297 HydrophobicContact CB-CD1 3.77Å; V270-L297 HydrophobicContact CG1-CD1 4.08Å; V270-L297 HydrophobicContact CG2-CD1 3.9Å; V270-L297 HydrophobicContact CG2-CD2 3.99Å; V270-L297 HydrophobicContact CG2-CG 4.46Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 3.31Å; M294-L297 HydrophobicContact CE-CD1 4.49Å; M294-L297 PolarHBondContact O-N 2.99Å; M294-L297 HydrophobicContact SD-CD1 4.11Å; L297-R299 PolarHBondContact O-N 2.89Å; L297-H300 CarbonylContact O-C 3.49Å; L297-H300 PolarHBondContact O-N 3.25Å; L297-H300 VanDerWaalsContact O-N 3.11Å; L297-G301 PolarHBondContact O-N 3.41Å; L297-G301 VanDerWaalsContact O-N 3.12Å; L297-L302 CarbonylContact C-O 3.54Å; L297-L302 HydrophobicContact CB-CB 4.22Å; L297-L302 HydrophobicContact CD2-CB 3.95Å; L297-L302 HydrophobicContact CD2-CD1 4.05Å; L297-L302 PolarHBondContact O-N 3.26Å
298Q88.8Confident88.1Confident149 Ų14955.3 Ų55.370%0.69629%0.29SS*.Hα-helixtrans-63.1-38.4177.8-173.9173.3-17.800112.7M294 M296 H300 G301M294-Q298 WeakPolarHBondContact O-CB 3.49Å; M294-Q298 PolarHBondContact O-N 3.49Å; M296-Q298 VanDerWaalsContact C-N 3.27Å; M296-Q298 PolarHBondContact O-N 3.2Å; Q298-H300 VanDerWaalsContact C-N 3.29Å; Q298-H300 PolarHBondContact O-N 2.84Å; Q298-G301 PolarHBondContact O-N 2.93Å; Q298-G301 VanDerWaalsContact O-N 3.15Å
299R88.4Confident88.5Confident155 Ų15552 Ų5259%0.58527%0.269SS*.Hα-helixtrans-59.3-38.6171.9-81.9-175.2-75.2131.8-13112.4E260 D295 M296 L297 G301E260-R299 IonicContact OE1-CZ 2.67Å; E260-R299 VanDerWaalsContact OE1-CZ 3.23Å; E260-R299 IonicContact OE1-NH1 2.68Å; E260-R299 PolarHBondContact OE1-NH1 2.68Å; E260-R299 IonicContact OE1-NH2 3.67Å; E260-R299 PolarHBondContact OE1-NH2 3.49Å; E260-R299 IonicContact OE2-NH1 3.54Å; E260-R299 PolarHBondContact OE2-NH1 2.71Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.12Å; M296-R299 WeakPolarHBondContact O-CB 3.39Å; M296-R299 PolarHBondContact O-N 3Å; M296-R299 VanDerWaalsContact O-N 3.1Å; L297-R299 PolarHBondContact O-N 2.89Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 3.13Å
300H86.3Confident88.9Confident91 Ų9150.3 Ų50.342%0.42126%0.262SS..THydrogen-bonded Turntrans-83.31.9178-74.1-84000114S264 M296 L297 Q298 L302S264-H300 PolarHBondContact OG-CE1 3.33Å; S264-H300 PolarHBondContact OG-ND1 3.02Å; M296-H300 PolarHBondContact O-CD2 2.78Å; M296-H300 VanDerWaalsContact O-CD2 3.29Å; M296-H300 PolarHBondContact O-N 3.06Å; M296-H300 VanDerWaalsContact O-N 3.08Å; L297-H300 CarbonylContact O-C 3.49Å; L297-H300 PolarHBondContact O-N 3.25Å; L297-H300 VanDerWaalsContact O-N 3.11Å; Q298-H300 VanDerWaalsContact C-N 3.29Å; Q298-H300 PolarHBondContact O-N 2.84Å; H300-L302 HydrophobicContact CB-CD1 4.23Å; H300-L302 HydrophobicContact CB-CG 4.14Å; H300-L302 PolarHBondContact O-N 3.23Å
301G87.3Confident89.1Confident62 Ų6250.1 Ų50.164%0.63926%0.261SS*.THydrogen-bonded Turntrans71.616.2-177.500000113.9L297 Q298 R299L297-G301 PolarHBondContact O-N 3.41Å; L297-G301 VanDerWaalsContact O-N 3.12Å; Q298-G301 PolarHBondContact O-N 2.93Å; Q298-G301 VanDerWaalsContact O-N 3.15Å; R299-G301 VanDerWaalsContact C-N 3.28Å; R299-G301 PolarHBondContact O-N 3.13Å
302L90.8Very high89.3Confident23 Ų2345.7 Ų45.712%0.1224%0.241CC..  trans-93.8153.4177.5-57.2178.2000110.6L297 H300 P325 Q326L297-L302 CarbonylContact C-O 3.54Å; L297-L302 HydrophobicContact CB-CB 4.22Å; L297-L302 HydrophobicContact CD2-CB 3.95Å; L297-L302 HydrophobicContact CD2-CD1 4.05Å; L297-L302 PolarHBondContact O-N 3.26Å; H300-L302 HydrophobicContact CB-CD1 4.23Å; H300-L302 HydrophobicContact CB-CG 4.14Å; H300-L302 PolarHBondContact O-N 3.23Å; L302-P325 CarbonylContact C-O 3.57Å; L302-P325 VanDerWaalsContact CA-O 3.31Å; L302-P325 WeakPolarHBondContact CA-O 3.33Å; L302-P325 HydrophobicContact CD2-CB 4.32Å; L302-Q326 HydrophobicContact CD2-CG 3.59Å
303R90.7Very high89.5Confident37 Ų3740.5 Ų40.514%0.1421%0.214CC..  trans-115.3152171.569.1172.7-175.497-6.2112E309 N324 P325 G327R303-E309 IonicContact CZ-OE1 3.36Å; R303-E309 VanDerWaalsContact CZ-OE1 3.3Å; R303-E309 IonicContact CZ-OE2 3.21Å; R303-E309 IonicContact NH1-OE1 3.8Å; R303-E309 PolarHBondContact NH1-OE1 3.01Å; R303-E309 IonicContact NH1-OE2 2.72Å; R303-E309 VanDerWaalsContact NH2-CD 3.34Å; R303-E309 IonicContact NH2-OE1 2.76Å; R303-E309 PolarHBondContact NH2-OE1 3.23Å; R303-E309 IonicContact NH2-OE2 3.4Å; R303-E309 PolarHBondContact NH2-OE2 2.91Å; R303-N324 PolarHBondContact NE-O 3.48Å; R303-N324 PolarHBondContact NH2-O 3.23Å; R303-P325 PolarHBondContact N-O 3.12Å; R303-G327 VanDerWaalsContact CD-O 3.28Å; R303-G327 WeakPolarHBondContact CD-O 3.39Å; R303-G327 PolarHBondContact NE-O 2.95Å
304P91.3Very high89.8Confident39 Ų3940 Ų4025%0.25321%0.212SC..  trans-68159163.632.2-36.8000111.4V270 D272 M294V270-P304 CarbonylContact O-C 3.33Å; V270-P304 WeakPolarHBondContact O-CA 3.43Å; D272-P304 HydrophobicContact CB-CB 4.16Å; M294-P304 HydrophobicContact CE-CB 4.18Å; M294-P304 HydrophobicContact SD-CB 3.81Å; M294-P304 HydrophobicContact SD-CG 3.79Å
305I91.8Very high89.8Confident0 Ų038.6 Ų38.60%021%0.205CC..BIsolated β-bridgetrans-107.3113.8-177.4-57.1-51.8000109.6C269 V270 V271 D272 E309 C323 P325C269-I305 HydrophobicContact CB-CG1 4.12Å; V270-I305 PolarHBondContact O-N 2.8Å; V271-I305 WeakPolarHBondContact CA-O 3.06Å; D272-I305 PolarHBondContact N-O 2.81Å; I305-E309 HydrophobicContact CG2-CB 3.93Å; I305-C323 HydrophobicContact CG2-CB 4.15Å; I305-P325 HydrophobicContact CD1-CB 4.49Å
306P89.9Confident89.9Confident47 Ų4737.3 Ų37.331%0.30520%0.195SC..  trans-58.3141.6171.7-24.934.7000112.6A308 E309P306-A308 PolarHBondContact O-N 2.72Å; P306-A308 VanDerWaalsContact O-N 3.12Å; P306-E309 WeakPolarHBondContact CD-OE1 3.43Å; P306-E309 WeakPolarHBondContact O-CB 3.5Å; P306-E309 PolarHBondContact O-N 3.19Å
307E87.9Confident90.1Very high39 Ų3939.9 Ų39.918%0.18221%0.207CC..Hα-helixtrans-50.3-37.9177.7175.8166.7154.700113.5Q234 K237 L238 E309 I310 L741Q234-E307 PolarHBondContact NE2-OE2 3.05Å; Q234-E307 VanDerWaalsContact NE2-OE2 3.12Å; K237-E307 WeakPolarHBondContact CE-OE1 3.49Å; K237-E307 IonicContact NZ-OE1 2.65Å; K237-E307 PolarHBondContact NZ-OE1 3.06Å; L238-E307 HydrophobicContact CD1-CB 4.5Å; L238-E307 HydrophobicContact CD1-CG 3.74Å; L238-E307 HydrophobicContact CD2-CG 4.02Å; L238-E307 HydrophobicContact CG-CG 4.5Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.82Å; E307-I310 WeakPolarHBondContact O-CB 3.42Å; E307-I310 PolarHBondContact O-N 2.97Å; E307-L741 HydrophobicContact CG-CD2 3.84Å; E307-L741 WeakPolarHBondContact OE1-CD2 3.18Å
308A87.9Confident90.1Very high25 Ų2541 Ų4121%0.20721%0.214CC..Hα-helixtrans-61-30.8176.200000113.8P306 I310 G311 L312 L741 F742P306-A308 PolarHBondContact O-N 2.72Å; P306-A308 VanDerWaalsContact O-N 3.12Å; A308-I310 VanDerWaalsContact C-N 3.26Å; A308-I310 PolarHBondContact O-N 2.87Å; A308-G311 PolarHBondContact O-N 3.29Å; A308-L312 WeakPolarHBondContact O-CG 3.19Å; A308-L312 PolarHBondContact O-N 3.17Å; A308-L741 WeakPolarHBondContact CB-O 3.38Å; A308-F742 HydrophobicContact CB-CD1 4.17Å; A308-F742 HydrophobicContact CB-CE1 4.01Å; A308-F742 HydrophobicContact CB-CZ 4.44Å; A308-F742 WeakPolarHBondContact O-CZ 3.45Å
309E90.5Very high90.3Very high18 Ų1835.1 Ų35.18%0.08419%0.189CC..Hα-helixtrans-66.5-29.1178.5-73.5-170-146.600112.4R303 I305 P306 E307 G311 L312 A313 Y322 C323R303-E309 IonicContact CZ-OE1 3.36Å; R303-E309 VanDerWaalsContact CZ-OE1 3.3Å; R303-E309 IonicContact CZ-OE2 3.21Å; R303-E309 IonicContact NH1-OE1 3.8Å; R303-E309 PolarHBondContact NH1-OE1 3.01Å; R303-E309 IonicContact NH1-OE2 2.72Å; R303-E309 VanDerWaalsContact NH2-CD 3.34Å; R303-E309 IonicContact NH2-OE1 2.76Å; R303-E309 PolarHBondContact NH2-OE1 3.23Å; R303-E309 IonicContact NH2-OE2 3.4Å; R303-E309 PolarHBondContact NH2-OE2 2.91Å; I305-E309 HydrophobicContact CG2-CB 3.93Å; P306-E309 WeakPolarHBondContact CD-OE1 3.43Å; P306-E309 WeakPolarHBondContact O-CB 3.5Å; P306-E309 PolarHBondContact O-N 3.19Å; E307-E309 VanDerWaalsContact C-N 3.28Å; E307-E309 PolarHBondContact O-N 2.82Å; E309-G311 VanDerWaalsContact C-N 3.28Å; E309-G311 PolarHBondContact O-N 2.94Å; E309-L312 PolarHBondContact O-N 3.22Å; E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 3.41Å; E309-A313 PolarHBondContact O-N 2.92Å; E309-Y322 HydrophobicContact CG-CD1 4.25Å; E309-Y322 WeakPolarHBondContact OE2-CA 3.43Å; E309-C323 VanDerWaalsContact C-SG 3.55Å; E309-C323 PolarHBondContact O-SG 3.18Å; E309-C323 PolarHBondContact OE2-N 3.32Å
310I92.3Very high90.3Very high1 Ų134.9 Ų34.91%0.00519%0.194CC..Hα-helixtrans-62.9-40.6175.7-51.5176.6000109.5F222 F227 L238 I242 V271 E307 A308 V314F222-I310 HydrophobicContact CE1-CG2 4.41Å; F222-I310 HydrophobicContact CE2-CG2 4.13Å; F222-I310 HydrophobicContact CZ-CG2 3.62Å; F227-I310 HydrophobicContact CD1-CD1 4.27Å; F227-I310 HydrophobicContact CE1-CD1 4.32Å; F227-I310 HydrophobicContact CE1-CG1 4.05Å; L238-I310 HydrophobicContact CD1-CD1 4.32Å; I242-I310 HydrophobicContact CD1-CD1 4.42Å; I242-I310 HydrophobicContact CG1-CG2 4.32Å; V271-I310 HydrophobicContact CG1-CD1 4.5Å; V271-I310 HydrophobicContact CG2-CD1 4.28Å; E307-I310 WeakPolarHBondContact O-CB 3.42Å; E307-I310 PolarHBondContact O-N 2.97Å; A308-I310 VanDerWaalsContact C-N 3.26Å; A308-I310 PolarHBondContact O-N 2.87Å; I310-V314 WeakPolarHBondContact O-CG2 3.49Å
311G91.3Very high90.3Very high0 Ų034.6 Ų34.60%020%0.196CC..Hα-helixtrans-68.8-43.9172.900000113.3A308 E309 A313 V314 I315A308-G311 PolarHBondContact O-N 3.29Å; E309-G311 VanDerWaalsContact C-N 3.28Å; E309-G311 PolarHBondContact O-N 2.94Å; G311-A313 PolarHBondContact O-N 3.34Å; G311-V314 PolarHBondContact O-N 3.36Å; G311-I315 WeakPolarHBondContact O-CG1 3.12Å; G311-I315 PolarHBondContact O-N 2.94Å
312L90.1Very high90.4Very high12 Ų1232.8 Ų32.86%0.06317%0.17CC..Hα-helixtrans-62.1-40.3178.5-69.2171000112.5A308 E309 V314 I315 F316 Y322 F742A308-L312 WeakPolarHBondContact O-CG 3.19Å; A308-L312 PolarHBondContact O-N 3.17Å; E309-L312 PolarHBondContact O-N 3.22Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3.25Å; L312-I315 PolarHBondContact O-N 3.44Å; L312-F316 HydrophobicContact CD2-CD2 4.11Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.18Å; L312-F316 PolarHBondContact O-N 3.23Å; L312-Y322 HydrophobicContact CB-CD1 3.68Å; L312-Y322 HydrophobicContact CB-CD2 3.8Å; L312-Y322 HydrophobicContact CB-CE1 3.81Å; L312-Y322 HydrophobicContact CB-CE2 3.92Å; L312-Y322 HydrophobicContact CB-CG 3.67Å; L312-Y322 HydrophobicContact CD1-CD1 3.81Å; L312-Y322 HydrophobicContact CD1-CE1 3.53Å; L312-Y322 HydrophobicContact CG-CD1 4.37Å; L312-Y322 HydrophobicContact CG-CE1 4.19Å; L312-F742 HydrophobicContact CD1-CE1 4.09Å; L312-F742 HydrophobicContact CD2-CE1 3.58Å; L312-F742 HydrophobicContact CD2-CZ 3.8Å; L312-F742 HydrophobicContact CG-CE1 3.59Å; L312-F742 HydrophobicContact CG-CZ 3.7Å
313A92.3Very high90.5Very high0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-58.8-39.2178.300000112.5F222 E309 G311 M317 T318 T319F222-A313 HydrophobicContact CE1-CB 3.91Å; F222-A313 HydrophobicContact CZ-CB 4.35Å; E309-A313 VanDerWaalsContact O-CB 3.31Å; E309-A313 WeakPolarHBondContact O-CB 3.41Å; E309-A313 PolarHBondContact O-N 2.92Å; G311-A313 PolarHBondContact O-N 3.34Å; A313-M317 CarbonylContact O-C 3.26Å; A313-M317 WeakPolarHBondContact O-CA 3.27Å; A313-M317 PolarHBondContact O-N 3.24Å; A313-T318 WeakPolarHBondContact CA-O 3.37Å; A313-T318 PolarHBondContact O-N 3.02Å; A313-T318 VanDerWaalsContact O-N 3.13Å; A313-T319 HydrophobicContact CB-CG2 3.84Å
314V93.3Very high90.5Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-75-43.3178.3172.80000110.9I162 L165 I166 R218 I221 F222 I310 G311 L312 M317I162-V314 HydrophobicContact CD1-CB 4.18Å; I162-V314 HydrophobicContact CD1-CG1 4.21Å; I162-V314 HydrophobicContact CG2-CB 4.22Å; I162-V314 HydrophobicContact CG2-CG1 4.17Å; I162-V314 HydrophobicContact CG2-CG2 3.91Å; L165-V314 HydrophobicContact CB-CG1 4.09Å; I166-V314 HydrophobicContact CD1-CG1 4.28Å; I166-V314 HydrophobicContact CD1-CG2 3.78Å; I166-V314 HydrophobicContact CG1-CG1 3.67Å; I166-V314 HydrophobicContact CG1-CG2 4Å; R218-V314 VanDerWaalsContact CD-O 3.27Å; R218-V314 WeakPolarHBondContact CD-O 3.22Å; R218-V314 PolarHBondContact NE-O 3.12Å; I221-V314 HydrophobicContact CG2-CG2 4.06Å; F222-V314 HydrophobicContact CE2-CG2 3.86Å; F222-V314 HydrophobicContact CZ-CG2 3.67Å; I310-V314 WeakPolarHBondContact O-CG2 3.49Å; G311-V314 PolarHBondContact O-N 3.36Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3.25Å; V314-M317 WeakPolarHBondContact O-CG 3.45Å
315I90.6Very high90.5Very high7 Ų730.9 Ų30.94%0.03616%0.161CC..Hα-helixtrans-63.2-49.6179.4-74.5165.9000111.8V157 I162 L165 I205 V210 G311 L312V157-I315 HydrophobicContact CB-CD1 4.18Å; V157-I315 HydrophobicContact CG1-CD1 3.61Å; V157-I315 HydrophobicContact CG2-CD1 3.53Å; I162-I315 HydrophobicContact CD1-CD1 4.3Å; I162-I315 HydrophobicContact CD1-CG1 4.23Å; L165-I315 HydrophobicContact CD1-CG1 4.36Å; I205-I315 HydrophobicContact CD1-CD1 3.93Å; I205-I315 HydrophobicContact CD1-CG2 4.4Å; I205-I315 HydrophobicContact CG1-CD1 4.33Å; I205-I315 HydrophobicContact CG2-CG2 4.4Å; V210-I315 HydrophobicContact CG1-CG2 3.58Å; G311-I315 WeakPolarHBondContact O-CG1 3.12Å; G311-I315 PolarHBondContact O-N 2.94Å; L312-I315 PolarHBondContact O-N 3.44Å
316F89.7Confident90.3Very high69 Ų6938 Ų3830%0.30319%0.194SC..THydrogen-bonded Turntrans-91.90.4-178-70.4-70.2000113.4I205 K208 L312 T318 Y322I205-F316 HydrophobicContact CG2-CE1 4.46Å; I205-F316 HydrophobicContact CG2-CE2 3.97Å; I205-F316 HydrophobicContact CG2-CZ 3.55Å; K208-F316 HydrophobicContact CD-CE1 4.28Å; K208-F316 HydrophobicContact CD-CZ 4.29Å; L312-F316 HydrophobicContact CD2-CD2 4.11Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.18Å; L312-F316 PolarHBondContact O-N 3.23Å; F316-T318 VanDerWaalsContact C-N 3.25Å; F316-T318 HydrophobicContact CB-CG2 4.21Å; F316-T318 PolarHBondContact O-N 2.9Å; F316-Y322 HydrophobicContact CB-CD2 4.42Å; F316-Y322 HydrophobicContact CB-CE2 3.85Å; F316-Y322 AromaticContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CG-CE2 4.04Å
317M90.6Very high89.7Confident60 Ų6036.7 Ų36.730%0.29619%0.19SC..THydrogen-bonded Turntrans5535.9175.2-57178.953.600114.2R215 E217 R218 A313 V314R215-M317 HydrophobicContact CB-CE 4.33Å; R215-M317 HydrophobicContact CB-SD 4.45Å; R215-M317 WeakPolarHBondContact CD-SD 3.34Å; E217-M317 HydrophobicContact CB-CE 3.59Å; E217-M317 HydrophobicContact CG-CE 4.13Å; R218-M317 HydrophobicContact CG-CE 4.3Å; R218-M317 HydrophobicContact CG-CG 4.11Å; R218-M317 HydrophobicContact CG-SD 4.25Å; A313-M317 CarbonylContact O-C 3.26Å; A313-M317 WeakPolarHBondContact O-CA 3.27Å; A313-M317 PolarHBondContact O-N 3.24Å; V314-M317 WeakPolarHBondContact O-CG 3.45Å
318T91.2Very high88.6Confident26 Ų2643.3 Ų43.316%0.1622%0.221CC..  trans-140132.4176.3172.90000111.2A313 F316 E320 N321 Y322A313-T318 WeakPolarHBondContact CA-O 3.37Å; A313-T318 PolarHBondContact O-N 3.02Å; A313-T318 VanDerWaalsContact O-N 3.13Å; F316-T318 VanDerWaalsContact C-N 3.25Å; F316-T318 HydrophobicContact CB-CG2 4.21Å; F316-T318 PolarHBondContact O-N 2.9Å; T318-E320 PolarHBondContact OG1-N 3.22Å; T318-E320 VanDerWaalsContact OG1-N 3.12Å; T318-N321 HydrophobicContact CG2-CB 4.09Å; T318-Y322 HydrophobicContact CG2-CD2 4.13Å; T318-Y322 HydrophobicContact CG2-CE2 4.37Å
319T91.9Very high87.1Confident27 Ų2746.1 Ų46.117%0.16624%0.237CC..SBendtrans-10719.3168.955.30000113.1I221 F222 K225 A313 Y322I221-T319 HydrophobicContact CD1-CG2 4.07Å; I221-T319 HydrophobicContact CG1-CG2 4.01Å; I221-T319 WeakPolarHBondContact O-CG2 3.36Å; I221-T319 PolarHBondContact O-OG1 2.78Å; F222-T319 HydrophobicContact CD1-CG2 3.85Å; F222-T319 HydrophobicContact CE1-CG2 3.96Å; K225-T319 PolarHBondContact NZ-O 3.48Å; A313-T319 HydrophobicContact CB-CG2 3.84Å; T319-Y322 CarbonylContact C-O 3.49Å; T319-Y322 WeakPolarHBondContact CA-O 3.49Å; T319-Y322 VanDerWaalsContact O-O 3.08Å
320E88.7Confident85.2Confident150 Ų15048 Ų4870%0.70125%0.252SS*.SBendtrans-90.9-43.4171.5-58.2176.9154.400110.6T318 N324T318-E320 PolarHBondContact OG1-N 3.22Å; T318-E320 VanDerWaalsContact OG1-N 3.12Å; E320-N324 VanDerWaalsContact O-CB 3.22Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-ND2 3.23Å
321N86.5Confident82.9Confident85 Ų8552.2 Ų52.246%0.45528%0.277SS..SBendtrans-86.7-20.2178.7-65-25.1000113.2T318 C330T318-N321 HydrophobicContact CG2-CB 4.09Å; N321-C330 PolarHBondContact O-SG 3.16Å
322Y89.5Confident80.5Confident24 Ų2459 Ų599%0.09431%0.309CS..SBendtrans-135.7148.9-176.8-55.5-61.9000109.4E309 L312 F316 T318 T319 N324 C330E309-Y322 HydrophobicContact CG-CD1 4.25Å; E309-Y322 WeakPolarHBondContact OE2-CA 3.43Å; L312-Y322 HydrophobicContact CB-CD1 3.68Å; L312-Y322 HydrophobicContact CB-CD2 3.8Å; L312-Y322 HydrophobicContact CB-CE1 3.81Å; L312-Y322 HydrophobicContact CB-CE2 3.92Å; L312-Y322 HydrophobicContact CB-CG 3.67Å; L312-Y322 HydrophobicContact CD1-CD1 3.81Å; L312-Y322 HydrophobicContact CD1-CE1 3.53Å; L312-Y322 HydrophobicContact CG-CD1 4.37Å; L312-Y322 HydrophobicContact CG-CE1 4.19Å; F316-Y322 HydrophobicContact CB-CD2 4.42Å; F316-Y322 HydrophobicContact CB-CE2 3.85Å; F316-Y322 AromaticContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CD2-CE2 3.65Å; F316-Y322 HydrophobicContact CG-CE2 4.04Å; T318-Y322 HydrophobicContact CG2-CD2 4.13Å; T318-Y322 HydrophobicContact CG2-CE2 4.37Å; T319-Y322 CarbonylContact C-O 3.49Å; T319-Y322 WeakPolarHBondContact CA-O 3.49Å; T319-Y322 VanDerWaalsContact O-O 3.08Å; Y322-N324 PolarHBondContact O-N 2.65Å; Y322-C330 HydrophobicContact CE1-CB 4.39Å
323C92.2Very high78.4Confident0 Ų063 Ų630%033%0.33CS..SBendtrans53.737.4-174.6-53.20000112.7K225 F227 I305 E309K225-C323 PolarHBondContact NZ-O 2.95Å; F227-C323 HydrophobicContact CE1-CB 3.98Å; F227-C323 HydrophobicContact CZ-CB 3.81Å; I305-C323 HydrophobicContact CG2-CB 4.15Å; E309-C323 VanDerWaalsContact C-SG 3.55Å; E309-C323 PolarHBondContact O-SG 3.18Å; E309-C323 PolarHBondContact OE2-N 3.32Å
324N91.9Very high75.6Confident42 Ų4270.5 Ų70.523%0.22536%0.362CS..  trans-113.4106.1177.4-179.4-4.8000109.4R303 E320 Y322 Q326 G327R303-N324 PolarHBondContact NE-O 3.48Å; R303-N324 PolarHBondContact NH2-O 3.23Å; E320-N324 VanDerWaalsContact O-CB 3.22Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-ND2 3.23Å; Y322-N324 PolarHBondContact O-N 2.65Å; N324-Q326 VanDerWaalsContact C-N 3.26Å; N324-Q326 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact OD1-N 2.73Å; N324-Q326 VanDerWaalsContact OD1-N 3.09Å; N324-G327 PolarHBondContact O-N 3.08Å; N324-G327 PolarHBondContact OD1-N 3.27Å; N324-G327 VanDerWaalsContact OD1-N 3.14Å
325P90.2Very high72.5Confident16 Ų1676.5 Ų76.510%0.10440%0.399CS..THydrogen-bonded Turntrans-73.3-16.6-175.231.7-37.4000113L302 R303 I305L302-P325 CarbonylContact C-O 3.57Å; L302-P325 VanDerWaalsContact CA-O 3.31Å; L302-P325 WeakPolarHBondContact CA-O 3.33Å; L302-P325 HydrophobicContact CD2-CB 4.32Å; R303-P325 PolarHBondContact N-O 3.12Å; I305-P325 HydrophobicContact CD1-CB 4.49Å
326Q87.1Confident69.5Low150 Ų15082.7 Ų82.770%0.70144%0.438SS*.THydrogen-bonded Turntrans-96.2-13.5175.6-66.2177.3-2.600112.7L302 N324L302-Q326 HydrophobicContact CD2-CG 3.59Å; N324-Q326 VanDerWaalsContact C-N 3.26Å; N324-Q326 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact OD1-N 2.73Å; N324-Q326 VanDerWaalsContact OD1-N 3.09Å
327G78.2Confident66.7Low20 Ų2085 Ų8521%0.20646%0.458CS..SBendtrans-82.7141.2-178.900000112.5R303 N324R303-G327 VanDerWaalsContact CD-O 3.28Å; R303-G327 WeakPolarHBondContact CD-O 3.39Å; R303-G327 PolarHBondContact NE-O 2.95Å; N324-G327 PolarHBondContact O-N 3.08Å; N324-G327 PolarHBondContact OD1-N 3.27Å; N324-G327 VanDerWaalsContact OD1-N 3.14Å
328Q65.1Low63.8Low178 Ų17888 Ų8883%0.83248%0.482SS*.PPolyproline II helixtrans-65.4149169.2-68.1-171.3-4.100110.9C330Q328-C330 PolarHBondContact O-N 3.42Å
329P56.9Low60.9Low83 Ų8389.6 Ų89.654%0.53950%0.503SS..PPolyproline II helixtrans-59.4122.8-178.6-25.535.1000113.3T331P329-T331 PolarHBondContact O-N 3.01Å; P329-T331 PolarHBondContact O-OG1 3.14Å
330C49.8Very low58.2Low59 Ų5994.8 Ų94.840%0.39954%0.537SS..  trans-6098.4178.9-80.40000111.8N321 Y322 Q328 E332N321-C330 PolarHBondContact O-SG 3.16Å; Y322-C330 HydrophobicContact CE1-CB 4.39Å; Q328-C330 PolarHBondContact O-N 3.42Å; C330-E332 PolarHBondContact O-N 3.29Å; C330-E332 VanDerWaalsContact O-N 3.15Å
331T44.5Very low55.4Low88 Ų8893 Ų9354%0.5454%0.541SS..G310 helixtrans-82.112.2-170.7-59.80000113.4P329 L333 K334P329-T331 PolarHBondContact O-N 3.01Å; P329-T331 PolarHBondContact O-OG1 3.14Å; T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.04Å; T331-K334 HydrophobicContact CG2-CD 3.74Å; T331-K334 VanDerWaalsContact CG2-CE 3.44Å; T331-K334 HydrophobicContact CG2-CG 4.22Å
332E40.8Very low52.7Low142 Ų14297.5 Ų97.566%0.66456%0.564SS**G310 helixtrans-63.5-26.2178.4-71-155.2168.700113.8K208 C330 K334K208-E332 IonicContact NZ-OE2 2.73Å; K208-E332 PolarHBondContact NZ-OE2 2.91Å; C330-E332 PolarHBondContact O-N 3.29Å; C330-E332 VanDerWaalsContact O-N 3.15Å; E332-K334 PolarHBondContact O-N 3.09Å; E332-K334 VanDerWaalsContact O-N 3.09Å
333L44.7Very low50.1Low98 Ų98101.2 Ų101.251%0.51359%0.594SS.*G310 helixtrans-86.443.3180-85.9163000113.7A204 T331A204-L333 WeakPolarHBondContact O-CD1 3.39Å; A204-L333 WeakPolarHBondContact O-CD2 3.47Å; T331-L333 VanDerWaalsContact C-N 3.25Å; T331-L333 PolarHBondContact O-N 3.04Å
334K34.9Very low47.4Very low156 Ų156111 Ų11168%0.67864%0.639SS**  trans-87114.1161.7-80.7179.2174.71660109.4T331 E332 T336T331-K334 HydrophobicContact CG2-CD 3.74Å; T331-K334 VanDerWaalsContact CG2-CE 3.44Å; T331-K334 HydrophobicContact CG2-CG 4.22Å; E332-K334 PolarHBondContact O-N 3.09Å; E332-K334 VanDerWaalsContact O-N 3.09Å; K334-T336 PolarHBondContact O-N 3.36Å
335T28.2Very low44.4Very low127 Ų127112.7 Ų112.778%0.77967%0.667SS**  trans-61.7103172.337.40000110.4T337T335-T337 VanDerWaalsContact C-N 3.3Å; T335-T337 PolarHBondContact O-N 2.96Å; T335-T337 PolarHBondContact O-OG1 2.74Å
336T26.5Very low41.5Very low137 Ų137119.8 Ų119.884%0.8470%0.703SS**  trans-64.389.1178.3-59.50000110.5K334K334-T336 PolarHBondContact O-N 3.36Å
337T30.5Very low38.6Very low118 Ų118118.5 Ų118.572%0.72471%0.711SS**  trans-83.3119.6170.6-51.70000107.3T335 G339T335-T337 VanDerWaalsContact C-N 3.3Å; T335-T337 PolarHBondContact O-N 2.96Å; T335-T337 PolarHBondContact O-OG1 2.74Å; T337-G339 PolarHBondContact O-N 3.22Å
338P30.3Very low36.4Very low123 Ų123123.4 Ų123.480%0.79974%0.736SS**  trans-73.886.5-175.128.9-34.6000111.6
339G30.6Very low34.7Very low58 Ų58122.7 Ų122.760%0.59874%0.738SS**PPolyproline II helixtrans-75.4151160.100000110.9T337 S341T337-G339 PolarHBondContact O-N 3.22Å; G339-S341 PolarHBondContact O-N 2.9Å
340P34.6Very low33.3Very low137 Ų137122 Ų12289%0.8975%0.746SS**PPolyproline II helixtrans-65135.3-173.926-34.2000112.2
341S31.3Very low32.2Very low112 Ų112128.1 Ų128.178%0.78377%0.766SS**PPolyproline II helixtrans-73.5127-17954.30000112.6G339G339-S341 PolarHBondContact O-N 2.9Å
342L29.5Very low31.5Very low180 Ų180130.1 Ų130.194%0.94277%0.772SS**  trans-141.994.2159.5-119166000109.3
343S35.4Very low30.9Very low102 Ų102131.3 Ų131.371%0.71378%0.78SS**  trans-107.2120.5-176.546.20000111.5
344Q33.7Very low30.5Very low205 Ų205132.1 Ų132.196%0.95879%0.791SS**  trans-171.1134152.3-106.6159.944.100109.1
345G29.6Very low30Very low78 Ų78130.6 Ų130.680%0.80480%0.8SS**  trans161.362.6-173.500000113.1S347G345-S347 PolarHBondContact O-N 3.31Å
346L28.6Very low30.1Very low165 Ų165129 Ų12986%0.86480%0.8SS**  trans-70.3121.7175.5-163.978.6000109.4V348L346-V348 PolarHBondContact O-N 2.81Å
347S27.2Very low31Very low123 Ų123127.8 Ų127.886%0.8679%0.794SS**  trans-78.2117.8-178.4-169.30000111.4G345G345-S347 PolarHBondContact O-N 3.31Å
348V30.9Very low31Very low122 Ų122129.2 Ų129.274%0.73980%0.802SS**  trans-127.7133172.1178.60000108.8L346L346-V348 PolarHBondContact O-N 2.81Å
349N30Very low30.9Very low163 Ų163130.1 Ų130.187%0.87280%0.8SS**  trans-69.7131.6-175-174.77.2000112.1
350G27.7Very low30.7Very low69 Ų69135.9 Ų135.971%0.71181%0.814SS**  trans-158.4130.5-176.400000114.2
351K27.9Very low30.4Very low188 Ų188135.2 Ų135.282%0.81781%0.808SS**  trans-84.4138.3-172.9-96.3179.1164.7-177.50114.5
352I29Very low30.2Very low129 Ų129133.8 Ų133.866%0.66280%0.802SS**  trans80.7141.6130.9-68.8173.3000121.2
353M28.5Very low30.1Very low167 Ų167136.4 Ų136.482%0.82380%0.801SS**  trans77.2134.7165.6-80.4-53.198.900120.4
354P35.3Very low29.8Very low116 Ų116136.4 Ų136.475%0.75380%0.797SS**  trans-102.3160.5169.839.7-32.3000113.2
355S25.2Very low29.6Very low123 Ų123131.7 Ų131.786%0.8679%0.793SS**  trans-145.5138.4163.7580000110.1
356A29.6Very low29.6Very low95 Ų95134.5 Ų134.579%0.78579%0.79SS**  trans-101.4-152.7-171.500000112.3
357P46.1Very low30Very low111 Ų111133.3 Ų133.372%0.72179%0.789SS**  -119.7164.9-103.137.4-22.6000114
358V30.7Very low30.1Very low147 Ų147136.2 Ų136.289%0.89179%0.789SS**  trans-134.4131.4167.2-175.20000110.1
359N27.3Very low30Very low142 Ų142135 Ų13576%0.75979%0.786SS**  trans-84.2154.2-179.4-54.7-42000111.6
360M27.3Very low29.9Very low180 Ų180135.2 Ų135.289%0.88778%0.782SS**  trans-145.3118139.7-164.4144.5-72.200111.7
361T28.6Very low29.9Very low123 Ų123140 Ų14076%0.75579%0.785SS**  trans-55.8125.3164.739.90000109.9
362A25.6Very low29.9Very low81 Ų81134.6 Ų134.667%0.66978%0.776SS**  81.2131.870.900000113.5
363Y28.7Very low29.8Very low235 Ų235135.5 Ų135.592%0.92278%0.782SS**  trans-144139.2153.4-122.1-82.3000108.8
364V28.8Very low29.9Very low103 Ų103134 Ų13462%0.62478%0.782SS**  trans-108.8148.3-174.41700000109.6D366V364-D366 HydrophobicContact CG1-CB 4.39Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.37Å
365A29.9Very low29.6Very low105 Ų105134 Ų13487%0.86878%0.784SS**  trans-147.976.1163.800000109.2
366D28.4Very low29.7Very low138 Ų138136.5 Ų136.574%0.73878%0.784SS**  trans-78.7136.9172.3-64.2-51.4000110.8V364V364-D366 HydrophobicContact CG1-CB 4.39Å; V364-D366 WeakPolarHBondContact CG1-OD2 3.37Å
367T38.3Very low29.5Very low139 Ų139137.9 Ų137.985%0.85379%0.788SS**  trans-143.5100.2148.949.50000110
368E28.2Very low28.8Very low185 Ų185140.9 Ų140.986%0.86480%0.797SS**  trans-11156130.8-74.6-176.1148.400117.4
369S29.1Very low28.7Very low95 Ų95138.5 Ų138.566%0.66479%0.787SS**  cis-171.2-172.7-10-174.10000108.5
370E27.8Very low28.6Very low169 Ų169139.5 Ų139.579%0.7979%0.787SS**  trans67.8160.8160-67-171177.800119.2
371Q27.3Very low28.7Very low169 Ų169142.5 Ų142.579%0.7979%0.788SS**  -162.8171.6-51.9-127.3-175.73700109.4
372A27.8Very low29.4Very low75 Ų75142 Ų14262%0.6279%0.787SS**  trans61.8118.9158.800000120.7
373D27.8Very low29.5Very low148 Ų148146.8 Ų146.879%0.79179%0.793SS**  45.4132.3127-48.9-26.8000122
374T30.6Very low29.3Very low134 Ų134143.3 Ų143.382%0.82279%0.785SS**  169.4131.5105.5-75.10000114.4
375C27.8Very low29.2Very low118 Ų118143.4 Ų143.480%0.79779%0.786SS**  trans68.4137.9154.3-159.80000121.6
376M28.7Very low29Very low175 Ų175147.8 Ų147.886%0.86279%0.785SS**  trans-103.5135.2163.9-85.8-101.5-69.100110.4
377S25.3Very low28.9Very low123 Ų123148.5 Ų148.586%0.8679%0.787SS**  trans-167.2160.7148.9-89.10000113.5
378L31Very low28.4Very low174 Ų174147.4 Ų147.491%0.91179%0.785SS**  trans-100.9141.8-176.3-58.4159.1000110.8
379S28.3Very low28.3Very low97 Ų97141.9 Ų141.968%0.67878%0.779SS**  -171.9154.2121.2-141.90000115.6
380E26.1Very low28.3Very low163 Ų163143.8 Ų143.876%0.76279%0.786SS**  trans32.4103.8143.6-70.1162.912900123.7
381R28.9Very low28.2Very low243 Ų243142.4 Ų142.492%0.91778%0.779SS**  68.1162.8112.2-79.7-169.1173.3-164.5-1120.5
382P43.3Very low28.4Very low112 Ų112141.3 Ų141.373%0.72777%0.774SS**  trans-118.5164.4-138.842.6-36.2000117.5
383K27.3Very low28.4Very low182 Ų182142.5 Ų142.579%0.79177%0.774SS**  trans-174.5134.9136.7-98.8159.3-179.1-177.90109.8
384E24.7Very low28.3Very low163 Ų163144.1 Ų144.176%0.76277%0.774SS**  72.4132.991.2-141.6165.2-144.500111.2
385V25.7Very low28Very low105 Ų105148 Ų14864%0.63677%0.774SS**  cis-157.1140.545.2-157.10000109.5I387V385-I387 HydrophobicContact CG1-CD1 3.47Å; V385-I387 VanDerWaalsContact CG1-CD1 3.47Å; V385-I387 HydrophobicContact CG1-CG1 4.07Å
386K26Very low27.9Very low197 Ų197150.7 Ų150.786%0.85777%0.772SS**  175.8125.799.7-82.8173.5-176.2176.40106.8
387I27.4Very low27.7Very low152 Ų152149.2 Ų149.278%0.77977%0.767SS**  cis83.591.449.1-58.8174.9000114.4V385V385-I387 HydrophobicContact CG1-CD1 3.47Å; V385-I387 VanDerWaalsContact CG1-CD1 3.47Å; V385-I387 HydrophobicContact CG1-CG1 4.07Å
388S26.7Very low27.8Very low116 Ų116147.7 Ų147.781%0.81176%0.756SS**  -154.8132.5122.651.80000105.2
389G27Very low27.5Very low70 Ų70147.1 Ų147.172%0.72275%0.749SS**  cis93.713241.500000108.2
390V28Very low27.3Very low134 Ų134149.3 Ų149.381%0.81275%0.748SS**  cis-162146.213.8164.30000107.8
391E25.7Very low27.3Very low141 Ų141147.4 Ų147.466%0.65975%0.748SS**  cis-172158.7-18.7-103.4-151.894.800111
392Q33Very low27.1Very low145 Ų145146.1 Ų146.168%0.67874%0.744SS**  trans62.7155.1147.5-68.3-171.640.500121.9
393T26.4Very low26.2Very low100 Ų100145.7 Ų145.761%0.61374%0.744SS**  cis-154.4159.9-8.413.30000115
394F25.6Very low26.1Very low183 Ų183144.7 Ų144.780%0.80374%0.744SS**  trans20.4112.6156.9-59.2-59.4000126
395R25.8Very low26.3Very low216 Ų216144.9 Ų144.982%0.81574%0.742SS**  56.3124.7100-147.6-172-159.1-174.28.2121.8
396K26.1Very low26.4Very low173 Ų173147.3 Ų147.375%0.75275%0.747SS**  trans94.7129.3139.6-115.8-176.7-178.5-169.70121.8
397L22.7Very low26.4Very low145 Ų145142 Ų14276%0.75974%0.74SS**  trans86.3116.1141.3-13480000122.3
398S28.2Very low26.3Very low90 Ų90142 Ų14263%0.62974%0.741SS**  trans62.4152.1135.961.90000125.3
399Q25.7Very low26.4Very low162 Ų162145.2 Ų145.276%0.75774%0.74SS**  trans87.5115.9152.3-80.2179.9-7900122.5
400E23.5Very low26.4Very low143 Ų143146.7 Ų146.767%0.66874%0.739SS**  59.8112.4123.6-65.8-175.3105.400124.3
401T26.4Very low26.2Very low123 Ų123145.4 Ų145.476%0.75574%0.737SS**  6392.3114.1-38.10000121.4
402Y24.2Very low26.5Very low216 Ų216143.2 Ų143.285%0.84774%0.736SS**  trans-160141.4136.449.8-87.5000109
403S23.9Very low26.5Very low103 Ų103145.4 Ų145.472%0.7274%0.744SS**  cis114.8146.97.3-167.60000113.2
404M25.3Very low26.8Very low161 Ų161145.8 Ų145.879%0.79375%0.746SS**  trans76119.1-174.4-61.1-172.8-74.200114.3
405K28.3Very low27.1Very low167 Ų167143.5 Ų143.573%0.72674%0.742SS**  83.3149.364.7-79.2179.2158.7-144.70112
406E28.7Very low27.4Very low157 Ų157139.9 Ų139.973%0.73474%0.739SS**  cis-147.3171.413.1-147.2142.1-148.400114.6
407A26.9Very low27.6Very low86 Ų86138.1 Ų138.171%0.71174%0.743SS**  trans-68.2170.6-172.800000117.8
408L24.6Very low28Very low151 Ų151137.3 Ų137.379%0.79174%0.743SS**  -156.3167.7111.5-150.449.4000114.9
409K28.9Very low28.3Very low183 Ų183138 Ų13880%0.79675%0.748SS**  trans-73.6-180-177.6-46.9140.7-174.4174.60110.9
410S26.2Very low28.5Very low101 Ų101135.3 Ų135.371%0.70675%0.747SS**  cis-169.9167.424.150.60000114.3
411S25.1Very low28.7Very low108 Ų108134.3 Ų134.376%0.75575%0.751SS**  trans70.6163.2147.670.30000120.6
412S30.7Very low29.1Very low94 Ų94135.7 Ų135.766%0.65775%0.753SS**  cis-175.6150.1-47.763.30000111.5
413K34.3Very low29.4Very low192 Ų192131.6 Ų131.684%0.83575%0.75SS**  trans70.7152.3160.9-62.8-173.2179.2179.40117.1
414T32.6Very low29.5Very low108 Ų108136.1 Ų136.166%0.66375%0.752SS**  cis-163.1178.6-11.319.60000110
415N31.6Very low29.6Very low134 Ų134133.7 Ų133.772%0.71774%0.738SS**  trans86.6164.7160.1-59.8-23.7000117.9
416N31.7Very low29.5Very low141 Ų141133.6 Ų133.675%0.75474%0.738SS**  178.6167.4-53.8-98.7-6.5000109.7
417V31.4Very low29.7Very low136 Ų136133.1 Ų133.182%0.82474%0.74SS**  trans78.9126.2167.8-172.70000115.1
418V30.7Very low30.1Very low128 Ų128134.5 Ų134.578%0.77674%0.742SS**  cis-150.6163.1-13.1111.60000112.1
419S33.9Very low30.3Very low103 Ų103133.4 Ų133.472%0.7274%0.737SS**  trans-51.7168.1176.2-38.50000115.8
420S29.9Very low30.2Very low107 Ų107135.9 Ų135.975%0.74874%0.743SS**  cis-159-176.134.644.70000110.8
421T28.4Very low30.3Very low122 Ų122138.7 Ų138.775%0.74875%0.745SS**  cis-156.7-177.425.7-28.90000112.7
422L35.1Very low30.4Very low152 Ų152140.2 Ų140.280%0.79674%0.744SS**  trans-64.9162.9169.7-78.350.4000112.3
423V29.5Very low30.3Very low129 Ų129141 Ų14178%0.78275%0.749SS**  cis-149.9171.221.9-128.90000108.8
424R26.3Very low30.8Very low199 Ų199137 Ų13775%0.75174%0.743SS**  cis-148162.91.7-170.3162.5-176.1175.73.6112.6
425E27.7Very low30.5Very low109 Ų109137.2 Ų137.251%0.50974%0.744SS.*  trans-37.5162.6156.8-39.3173.210900117.1
426K25.9Very low30.2Very low166 Ų166139.4 Ų139.472%0.72275%0.747SS**  cis-155.1137.915.1-138.3144.5-169.51580111.9
427N32Very low30.3Very low146 Ų146142.2 Ų142.278%0.78175%0.753SS**  trans-115.4163.1163.7-91.6-50.5000108.5
428P36.2Very low30.5Very low116 Ų116142 Ų14275%0.75376%0.755SS**  -142.2148.194.837-22.2000115.9
429N27.8Very low30.2Very low128 Ų128140.7 Ų140.768%0.68476%0.757SS**  trans-58.4172.3157.9-73.3-55.6000111.9
430Y27.7Very low29.9Very low235 Ų235140.5 Ų140.592%0.92276%0.761SS**  -151.9156.8113.1-97.7-61.8000112.9
431Q28.7Very low29.7Very low159 Ų159142 Ų14274%0.74376%0.761SS**  trans-111.2150-172.3-78.1-174.4-23.200112.8
432L27Very low30Very low141 Ų141147.6 Ų147.674%0.73877%0.769SS**  trans42.9122.5133.9-59.7171000121.5
433S26.9Very low29.6Very low110 Ų110147 Ų14777%0.76977%0.766SS**  85.3173.6128.289.10000118.2
434P45.1Very low29.8Very low109 Ų109150.1 Ų150.171%0.70877%0.769SS**  -141-166-114.329-0.8000116.3
435V26.3Very low30Very low112 Ų112146.3 Ų146.368%0.67976%0.764SS**  trans96.4129151.5-174.80000120.2
436K25.3Very low30.1Very low179 Ų179151.2 Ų151.278%0.77878%0.778SS**  trans79.9108.4157.3-80.1159.9-162.81710122.5
437F34.9Very low30.3Very low200 Ų200148.3 Ų148.388%0.87777%0.774SS**  20140.3120.5-58.4-68.8000120.2
438P34.9Very low30.6Very low133 Ų133145.5 Ų145.586%0.86477%0.766SS**  -143.3-176.779.839.5-22.4000117.1
439A25.4Very low30.5Very low100 Ų100147.1 Ų147.183%0.82676%0.763SS**  trans-92.9161.8-162.200000117.2
440A27Very low30.8Very low98 Ų98147.3 Ų147.381%0.8176%0.76SS**  trans-157.590.1158.700000115.2
441N26.5Very low31Very low139 Ų139143.3 Ų143.374%0.74375%0.75SS**  trans33.6118.3130.7-167.75.5000121.7
442R33.3Very low31.2Very low240 Ų240143.2 Ų143.291%0.90675%0.75SS**  -171.9155.3127.1-102.8170.8-150-97.23.7113.2
443N27Very low31.4Very low139 Ų139143.8 Ų143.874%0.74375%0.748SS**  trans-100.6153.2-170.7-59.3-10.1000114.6
444K33.3Very low31.5Very low194 Ų194145 Ų14584%0.84375%0.751SS**  trans-165121.3131.5-98.2170.4-179.4-1760106.4
445D30.8Very low30.9Very low120 Ų120144.5 Ų144.564%0.64275%0.75SS**  6512371.3-61.2-44.2000111.7
446W30.4Very low31.3Very low211 Ų211146.2 Ų146.280%0.79975%0.754SS**  cis-163.813511.4179.8-101000111.9
447T30.4Very low31.6Very low106 Ų106147.3 Ų147.365%0.6576%0.759SS**  trans63.4162.8158.559.40000120.5
448S37.3Very low31.5Very low86 Ų86145.1 Ų145.160%0.60176%0.756SS**  cis-161.7165.6-6.2-118.30000109.3
449Q34Very low31.2Very low150 Ų150148.8 Ų148.870%0.70175%0.754SS**  cis-153.2150.72.4-142.8151.5-25.700112.1
450Q35Very low31.5Very low132 Ų132153 Ų15362%0.61775%0.754SS**  trans10.2153.2142.2-56.7171.6-86.100120.2
451Q32.1Very low32Very low151 Ų151155.8 Ų155.871%0.70675%0.751SS**  cis-165.6148.713.1-129.9153.2-11.300107.5
452Q31.8Very low32.7Very low158 Ų158155.3 Ų155.374%0.73876%0.755SS**  50.3133.457.6-69.5-164.7400113.8
453Q31Very low32.5Very low152 Ų152147.8 Ų147.871%0.7174%0.739SS**  cis-170.6-171.39-129.5-178.210.600110.4
454T29.2Very low32.6Very low135 Ų135147.9 Ų147.983%0.82874%0.744SS**  trans81.6174.6161.176.70000119.7
455S32Very low32.5Very low99 Ų99147.8 Ų147.869%0.69274%0.744SS**  trans-155.8179.2-153.859.80000113.9
456I35.6Very low32.6Very low149 Ų149152.4 Ų152.476%0.76476%0.758SS**  trans79.5104.4164.8-57.9160.2000117.7
457K31.1Very low32.6Very low202 Ų202152.7 Ų152.788%0.87876%0.759SS**  -168.6150.4113.7-113.5151.9-173.7172.50113.7
458N33.5Very low32.3Very low153 Ų153153 Ų15382%0.81875%0.753SS**  trans-97.5153.9174.9-65.4-47.2000111.3
459Y28.7Very low31.9Very low210 Ų210158.1 Ų158.182%0.82476%0.759SS**  trans174.2132.7147.6-97.6-68000106.1
460F30.9Very low31.7Very low189 Ų189157.8 Ų157.883%0.82976%0.762SS**  cis-132.8166.814.2-88.9-96.2000112.9
461Q37.3Very low31.5Very low157 Ų157159.9 Ų159.973%0.73477%0.772SS**  trans-145.5149.2161.4-169-177.130.100108.8
462P41.2Very low31.4Very low129 Ų129161.4 Ų161.484%0.83878%0.779SS**  trans-127.8149.21461110.6000112.8
463C29.7Very low31.4Very low82 Ų82161.3 Ų161.355%0.55478%0.784SS**  trans-125.7154.6-177.4-45.50000112.3
464T29Very low31.7Very low141 Ų141160.2 Ų160.287%0.86579%0.79SS**  trans-132.4119.7143.949.40000107.1
465K32.6Very low31.8Very low192 Ų192158.3 Ų158.384%0.83579%0.788SS**  84.196.750.5-77-168.2173.5-178.40114.8
466K31.2Very low31.6Very low216 Ų216162.1 Ų162.194%0.93980%0.797SS**  trans-172.1173.6132.4-104.7173.6-177.2-174.70111.6
467R30Very low31.3Very low218 Ų218159.2 Ų159.282%0.82379%0.79SS**  trans-134.3-174.8173.4-58.7-172.4179.4178.2-3.1108.3
468E25.8Very low31.2Very low112 Ų112155.5 Ų155.552%0.52379%0.789SS.*  cis-154.5175.25.7-140.9164.181.600106
469R27.9Very low31Very low194 Ų194154 Ų15473%0.73279%0.791SS**  cis-152.9-175.312-175.7171.5-76.6-161.6-2.7108.8
470D30.5Very low31.2Very low143 Ų143154.1 Ų154.177%0.76580%0.795SS**  trans-43148.1155.2-41.5-86.9000112.2
471E31.2Very low31.1Very low176 Ų176150.4 Ų150.482%0.82279%0.793SS**  -162.5166.368.7-126170.4-170.500114.5
472E28.7Very low30.6Very low183 Ų183147.9 Ų147.986%0.85579%0.793SS**  trans61.4157.4160-61.1-156.3124.500123.7
473N32.1Very low30Very low156 Ų156153.5 Ų153.583%0.83480%0.798SS**  trans-79152.7173.9-87.4-63.4000110.7
474P38.3Very low30Very low129 Ų129156.7 Ų156.784%0.83881%0.806SS**  -153.7-168.674.441.3-19.7000116.6
475A30.4Very low30Very low95 Ų95158.8 Ų158.879%0.78581%0.806SS**  trans-79.4152.2-171.200000116
476M28Very low30Very low179 Ų179156.9 Ų156.988%0.88280%0.804SS**  trans169.6159.9157.8-88.9-90-73.200106
477S29.9Very low29.8Very low88 Ų88152.2 Ų152.262%0.61580%0.798SS**  cis-166.3143-16.650.70000108.3
478S28.2Very low29.7Very low124 Ų124148.3 Ų148.387%0.86780%0.803SS**  trans-82.8121.6177.345.50000112.9
479S29.3Very low29.8Very low122 Ų122148.1 Ų148.185%0.85381%0.814SS**  trans-93.2154.8173.548.80000112
480K32.1Very low29.8Very low211 Ų211145.8 Ų145.892%0.91782%0.816SS**  trans-104.3126.9-169-64176.3178.4177.50113.6
481S29.5Very low29.8Very low112 Ų112145.7 Ų145.778%0.78381%0.814SS**  trans-161.8161.2143.194.10000107.5
482S27.9Very low29.6Very low104 Ų104146 Ų14673%0.72782%0.815SS**  cis-163.8128.5-14.832.10000106.5
483R27.8Very low29.7Very low247 Ų247145.4 Ų145.493%0.93281%0.813SS**PPolyproline II helixtrans-92.9117.5177-173.5172179.3124.4-2.2110
484M30.6Very low29.4Very low149 Ų149144.8 Ų144.873%0.73482%0.815SS**PPolyproline II helixtrans-75.5139.7167.1-73.1160.255.100109.9L486M484-L486 HydrophobicContact CE-CD2 4.41Å
485E27Very low29Very low184 Ų184146.4 Ų146.486%0.8681%0.811SS**PPolyproline II helixtrans-88.2147.3156-63.3-175.6136.600108.6
486L33Very low29.2Very low153 Ų153147.2 Ų147.280%0.80181%0.809SS**  trans-127.7116.8170.6-77.2175.7000108.7M484M484-L486 HydrophobicContact CE-CD2 4.41Å
487S27.6Very low28.9Very low117 Ų117143.8 Ų143.882%0.81881%0.808SS**  trans-75.6143177.1-45.60000111.1
488C27.7Very low28.7Very low136 Ų136144.2 Ų144.292%0.91982%0.817SS**  trans-117.9136.7156.8-66.60000109.1
489S28.7Very low29.2Very low108 Ų108144.4 Ų144.476%0.75582%0.816SS**  trans-139.7147.4176.952.30000109.1
490L28.4Very low29Very low146 Ų146144.5 Ų144.576%0.76482%0.817SS**  159.3129.5106.2-166.771.5000112.1
491L29.7Very low28.7Very low141 Ų141141.7 Ų141.774%0.73881%0.811SS**  trans61.4161.2162.7-98.259.1000117.2
492E26.9Very low28.3Very low181 Ų181146.6 Ų146.685%0.84681%0.812SS**  cis-110.9165.55-72.7-171.5113.300114.8
493Q30.2Very low28.1Very low172 Ų172149.2 Ų149.280%0.80481%0.811SS**  trans-112.1148.6171-70.4-177.8-16.300110.5
494T25.8Very low27.9Very low142 Ų142141.3 Ų141.387%0.87179%0.793SS**  trans-142.9135.7151-51.10000109
495Q30.4Very low27.7Very low163 Ų163141.7 Ų141.776%0.76279%0.791SS**  trans-88.2158-177.4-82.6-82.8-4500111.7
496P34.3Very low27.5Very low113 Ų113140 Ų14073%0.73478%0.783SS**  trans-87.3163.7-168.935.7-36.3000113.9
497A22.4Very low27Very low106 Ų106141.3 Ų141.388%0.87679%0.785SS**  trans-124.9147.7164.900000110.5
498A24.6Very low27.2Very low97 Ų97140.9 Ų140.980%0.80278%0.779SS**  trans-148.2179.4179.300000109.3
499P38.9Very low27Very low128 Ų128139.2 Ų139.283%0.83177%0.769SS**  -119.9163.9-77.637.1-25.9000112.3
500S25.9Very low26.8Very low125 Ų125142.8 Ų142.887%0.87477%0.774SS**  trans-110103.1173.858.90000112.4
501L24.6Very low26.7Very low152 Ų152141.2 Ų141.280%0.79678%0.775SS**  trans-72145.4173.6-173.887.1000112
502W22.4Very low26.3Very low214 Ų214143.1 Ų143.181%0.81178%0.78SS**  trans168.5153145.9-81.8-11.1000108.7
503K24.1Very low26.8Very low160 Ų160139.7 Ų139.770%0.69677%0.773SS**  cis-166.5167.2-11-109.6168.6-177.7162.60105.3
504S23.6Very low26.6Very low81 Ų81137.4 Ų137.457%0.56677%0.771SS**  cis-171.115615.9-122.40000109.4
505K24.9Very low26.6Very low156 Ų156136 Ų13668%0.67876%0.758SS**  trans64.6153145.1-66.4168.9155.8-83.20118.4
506E24.3Very low26.6Very low149 Ų149135.4 Ų135.470%0.69675%0.753SS**  cis-151.7167.3-12-122.8150-179.100112
507H21.6Very low26.3Very low181 Ų181137.6 Ų137.684%0.83875%0.753SS**  trans-81.4-175.1173.3-62.4-68.7000110.7
508P32.9Very low26.7Very low107 Ų107136.9 Ų136.970%0.69575%0.747SS**  cis-150-17913.541.2-18.6000119.5
509S23.2Very low26.9Very low101 Ų101139.4 Ų139.471%0.70675%0.747SS**  trans66.3154.8140.868.20000120.7
510Q23.8Very low26.4Very low184 Ų184144 Ų14486%0.8675%0.748SS**  cis-162.5-166.6-17.6-117.4-173.4-12.500109.9
511S25.4Very low26.6Very low113 Ų113142.9 Ų142.979%0.7974%0.74SS**  trans84.3105.415474.90000121.1
512E22Very low26.8Very low181 Ų181145.7 Ų145.785%0.84675%0.746SS**  trans-59.7173.2134.7-57.6-174.3130.800110.2
513P37.5Very low27.1Very low109 Ų109142.9 Ų142.971%0.70875%0.752SS**  cis-154.6174.925.546.8-25.6000120.4
514V25.6Very low27.3Very low123 Ų123138.7 Ų138.775%0.74576%0.755SS**  trans70.8130.2133.7157.10000123.3
515D26.6Very low27.4Very low113 Ų113141.6 Ų141.660%0.60476%0.764SS**  trans72126.6147.8-85.6-15.6000124.8
516K31Very low27.8Very low150 Ų150143.7 Ų143.765%0.65277%0.768SS**  71.3157.4127-69.5-179.6176.987.30120.7
517E27.2Very low28Very low160 Ų160142.4 Ų142.475%0.74877%0.765SS**  cis-174.3-177-18.9-179.4155.6-137.400108.4
518A29.9Very low28.5Very low90 Ų90141.4 Ų141.474%0.74477%0.765SS**  trans83.9148.1160.500000120.4
519D29.6Very low28.5Very low151 Ų151145.3 Ų145.381%0.80777%0.771SS**  cis-170.9179.9-31.6-154.1-9.3000110.7
520R27.9Very low29.1Very low225 Ų225146.5 Ų146.585%0.84978%0.776SS**  trans89.4143.2161.5-49.1-174.6-161.2-161.25.5118.2
521S30.4Very low29.1Very low101 Ų101144.9 Ų144.971%0.70677%0.773SS**  cis-166.8119.1-2351.90000113.2
522F29Very low29.1Very low210 Ų210142.3 Ų142.392%0.92177%0.765SS**  trans24.7115.9142.1-79.6-86.6000123.4
523V28.9Very low29.5Very low155 Ų155143 Ų14394%0.93977%0.765SS**  trans-145.8150.1139.1-179.80000105.9
524G27Very low28.9Very low73 Ų73143.1 Ų143.175%0.75376%0.764SS**  cis-154.7-1005.100000114.1
525D27.2Very low28.9Very low142 Ų142145 Ų14576%0.75977%0.769SS**  trans-140.8166.2-156.9-15718000116.3
526R33Very low28.9Very low199 Ų199143.1 Ų143.175%0.75177%0.769SS**  trans-12164.6162.8-75.9165.2-163.3-115.59.4122.7
527D28.5Very low28.6Very low122 Ų122140.6 Ų140.665%0.65277%0.77SS**  cis-159.6-172.22-132.9-48.7000113.2
528I32.7Very low28.7Very low160 Ų160142.3 Ų142.382%0.82178%0.775SS**  trans97.8138158.9-48-165.7000117.8
529K31.6Very low28.5Very low190 Ų190142.7 Ų142.783%0.82677%0.772SS**  trans-99.8159.1-167-68.6175177171.70115
530P35.9Very low28.4Very low125 Ų125145.5 Ų145.581%0.81278%0.778SS**  trans-79.7153.8159.635.1-35.3000112.9
531N23.8Very low28.3Very low150 Ų150140.2 Ų140.280%0.80278%0.775SS**  trans-160.7125.4167.9178.852.9000109.4
532G26.6Very low28.3Very low60 Ų60142.8 Ų142.862%0.61978%0.78SS**  cis156.2168.1-700000111.6
533K29.3Very low28Very low195 Ų195142 Ų14285%0.84878%0.779SS**  trans71.4152.5162.5-61.4177.8-176.8174.60116.2
534T25.2Very low28Very low112 Ų112141.7 Ų141.769%0.68777%0.772SS**  cis-169.3145-11.9-101.20000112.1
535L26.2Very low28Very low162 Ų162146.8 Ų146.885%0.84878%0.781SS**  trans64.5138.1157.2-108.770.5000124.5
536A25.1Very low28Very low74 Ų74142.9 Ų142.961%0.61278%0.775SS**  85.495.9122.700000123.8
537S26Very low27.9Very low96 Ų96139.9 Ų139.967%0.67178%0.781SS**  80145.6110.182.20000121.6
538K28.2Very low27.8Very low196 Ų196143 Ų14385%0.85279%0.789SS**  trans65.4156.9162.4-64174.6-177.6177.40115.3
539S26.2Very low27.9Very low98 Ų98145.5 Ų145.569%0.68579%0.794SS**  cis-162.2156.6-26.146.40000107.8
540F28.2Very low27.7Very low210 Ų210147 Ų14792%0.92179%0.794SS**  trans-61.7140174.8-76.2-86.5000112.5
541S26.2Very low27.9Very low114 Ų114147.8 Ų147.880%0.79780%0.797SS**  trans-144.9150.9161.9-72.90000108.4
542I29Very low28.3Very low156 Ų156146.8 Ų146.880%0.879%0.79SS**  trans-109.5134.6-169-64.4162.9000110
543E23.6Very low28.6Very low192 Ų192149.3 Ų149.390%0.89779%0.789SS**  trans-153.7158.5141.8-130.9172172.700112.9
544N28.9Very low29.2Very low150 Ų150146.7 Ų146.780%0.80278%0.784SS**  trans-94.4138.4-169.3-61.7-75.8000112.2
545L27.3Very low29.8Very low179 Ų179144.5 Ų144.594%0.93778%0.777SS**  trans-151.5137.4155.9-104.4165.3000109.5
546G27.1Very low30.5Very low61 Ų61141.9 Ų141.963%0.62976%0.763SS**  trans-74.8161-164.300000116.1K548G546-K548 PolarHBondContact O-N 3.1Å; G546-K548 VanDerWaalsContact O-N 3.16Å
547P29.4Very low31.5Very low135 Ų135145.4 Ų145.488%0.87777%0.767SS**  trans-72.4108.3-177.829.5-34.2000111.9
548K27.9Very low32.7Very low188 Ų188147.7 Ų147.782%0.81777%0.767SS**  trans-62.3147.1158-65.1178.7179.1179.20109G546 R550G546-K548 PolarHBondContact O-N 3.1Å; G546-K548 VanDerWaalsContact O-N 3.16Å; K548-R550 PolarHBondContact O-N 2.99Å
549K33.7Very low33.4Very low213 Ų213145.7 Ų145.793%0.92676%0.76SS**  trans-48.9129.6167.5-77.6-172.8173.7-173.70109.5
550R28.4Very low34.4Very low222 Ų222145 Ų14584%0.83875%0.751SS**  trans-106.9117.8163.7-73.1-175175.6175.6-1.6108.1K548 I552K548-R550 PolarHBondContact O-N 2.99Å; R550-I552 HydrophobicContact CB-CG1 4.33Å
551T40.3Very low35.2Very low141 Ų141140 Ų14087%0.86573%0.734SS**  trans-63.3133.4157.6-42.90000107.3
552I32.2Very low36.1Very low129 Ų129140.1 Ų140.166%0.66272%0.722SS**  trans-135.6102.7171.5-59.8-179000106.8R550R550-I552 HydrophobicContact CB-CG1 4.33Å
553D32.2Very low36.6Very low113 Ų113140 Ų14060%0.60472%0.718SS**  trans35.889.5144.5-45.5-30.9000118.5A555 I556D553-A555 VanDerWaalsContact C-N 3.34Å; D553-I556 HydrophobicContact CB-CD1 4.16Å; D553-I556 HydrophobicContact CB-CG1 4.47Å
554L41.1Very low37.3Very low139 Ų139135.9 Ų135.973%0.72870%0.701SS**SBendtrans-81-13160.8-72169.3000113.1I556 E557L554-I556 PolarHBondContact O-N 2.82Å; L554-E557 PolarHBondContact O-N 3.46Å
555A38.9Very low37.9Very low66 Ų66134.9 Ų134.955%0.54570%0.696SS.*Hα-helixtrans-63.3-24.3-176.200000113.9D553 E557 E558 E559D553-A555 VanDerWaalsContact C-N 3.34Å; A555-E557 VanDerWaalsContact C-N 3.32Å; A555-E557 PolarHBondContact O-N 2.88Å; A555-E558 PolarHBondContact O-N 2.91Å; A555-E559 PolarHBondContact O-N 2.89Å
556I40.6Very low38.6Very low108 Ų108134.1 Ų134.155%0.55469%0.685SS**Hα-helixtrans-73-26.2-178-58.7172.5000111.4D553 L554 V560D553-I556 HydrophobicContact CB-CD1 4.16Å; D553-I556 HydrophobicContact CB-CG1 4.47Å; L554-I556 PolarHBondContact O-N 2.82Å; I556-V560 WeakPolarHBondContact O-CG2 3.2Å
557E46.4Very low39Very low148 Ų148135 Ų13569%0.69268%0.681SS**Hα-helixtrans-79-21.3176.5-62.6-171.2154.100112.5L554 A555 L561L554-E557 PolarHBondContact O-N 3.46Å; A555-E557 VanDerWaalsContact C-N 3.32Å; A555-E557 PolarHBondContact O-N 2.88Å; E557-L561 WeakPolarHBondContact O-CB 3.27Å; E557-L561 PolarHBondContact O-N 3.37Å
558E50Low39.2Very low144 Ų144134.1 Ų134.167%0.67367%0.673SS**Hα-helixtrans-80.1-42.8-179.6-165.5161.2-141.700111.7A555 V560 L561 E562A555-E558 PolarHBondContact O-N 2.91Å; E558-V560 PolarHBondContact O-N 2.98Å; E558-L561 PolarHBondContact O-N 2.94Å; E558-L561 VanDerWaalsContact O-N 3.14Å; E558-E562 PolarHBondContact O-N 3.17Å; E558-E562 VanDerWaalsContact O-N 3.11Å
559E43.7Very low39.5Very low154 Ų154134.4 Ų134.472%0.7268%0.678SS**Hα-helixtrans-61.2-42.5175.3-171.7171.3-15600112A555 L561 E562 E563A555-E559 PolarHBondContact O-N 2.89Å; E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.21Å; E559-E562 PolarHBondContact O-N 3.2Å; E559-E563 PolarHBondContact O-N 2.9Å
560V48.2Very low39.3Very low82 Ų82130 Ų13050%0.49767%0.671SS.*Hα-helixtrans-66.3-30.1175.7173.70000112.2I556 E558 L564I556-V560 WeakPolarHBondContact O-CG2 3.2Å; E558-V560 PolarHBondContact O-N 2.98Å; V560-L564 HydrophobicContact CG1-CD1 4.44Å; V560-L564 PolarHBondContact O-N 3.27Å
561L43.2Very low39.2Very low106 Ų106128.4 Ų128.456%0.55567%0.673SS**Hα-helixtrans-76.1-36.2179.3-170.860.8000112.1E557 E558 E559 L565E557-L561 WeakPolarHBondContact O-CB 3.27Å; E557-L561 PolarHBondContact O-N 3.37Å; E558-L561 PolarHBondContact O-N 2.94Å; E558-L561 VanDerWaalsContact O-N 3.14Å; E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.21Å; L561-L565 WeakPolarHBondContact O-CG 3.33Å; L561-L565 PolarHBondContact O-N 3.31Å; L561-L565 VanDerWaalsContact O-N 3.14Å
562E45.3Very low38.6Very low117 Ų117129.1 Ų129.155%0.54767%0.669SS.*Hα-helixtrans-66.3-40.4171.3-90.7-150-155.800113.2E558 E559 L564 L565 K566E558-E562 PolarHBondContact O-N 3.17Å; E558-E562 VanDerWaalsContact O-N 3.11Å; E559-E562 PolarHBondContact O-N 3.2Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 3.27Å; E562-L565 PolarHBondContact O-N 3.46Å; E562-K566 PolarHBondContact O-N 3.09Å; E562-K566 IonicContact OE2-NZ 2.88Å; E562-K566 PolarHBondContact OE2-NZ 3.25Å
563E40.3Very low38.3Very low154 Ų154127.8 Ų127.872%0.7268%0.677SS**Hα-helixtrans-66.2-35.7179.1-165.8171.2-137.700111.5E559E559-E563 PolarHBondContact O-N 2.9Å
564L37.6Very low38.1Very low104 Ų104127.9 Ų127.955%0.54568%0.681SS.*Hα-helixtrans-64-42.9170.7-88.5164.5000112.9V560 E562 K566 S567V560-L564 HydrophobicContact CG1-CD1 4.44Å; V560-L564 PolarHBondContact O-N 3.27Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 3.27Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.16Å; L564-S567 WeakPolarHBondContact O-CB 3.5Å; L564-S567 PolarHBondContact O-N 2.94Å; L564-S567 VanDerWaalsContact O-N 3.1Å; L564-S567 PolarHBondContact O-OG 2.86Å
565L41.6Very low37.4Very low130 Ų130130.2 Ų130.268%0.68169%0.688SS**Hα-helixtrans-65.1-31.6-178.4-74.9167.1000113.1L561 E562 S567L561-L565 WeakPolarHBondContact O-CG 3.33Å; L561-L565 PolarHBondContact O-N 3.31Å; L561-L565 VanDerWaalsContact O-N 3.14Å; E562-L565 PolarHBondContact O-N 3.46Å; L565-S567 PolarHBondContact O-N 3.35Å
566K41.8Very low36.7Very low163 Ų163133.2 Ų133.271%0.70970%0.7SS**THydrogen-bonded Turntrans-72.1-5.4174.7-74.1164.4-175.8137.30114E562 L564E562-K566 PolarHBondContact O-N 3.09Å; E562-K566 IonicContact OE2-NZ 2.88Å; E562-K566 PolarHBondContact OE2-NZ 3.25Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.16Å
567S35.7Very low35.9Very low80 Ų80137.8 Ų137.856%0.55972%0.715SS**THydrogen-bonded Turntrans-101-2.7-174.176.70000115.8L564 L565L564-S567 WeakPolarHBondContact O-CB 3.5Å; L564-S567 PolarHBondContact O-N 2.94Å; L564-S567 VanDerWaalsContact O-N 3.1Å; L564-S567 PolarHBondContact O-OG 2.86Å; L565-S567 PolarHBondContact O-N 3.35Å
568T34.3Very low34.9Very low115 Ų115137 Ų13771%0.70672%0.72SS**  trans-131.880.1-170.4-55.80000112.4
569E33.6Very low33.7Very low194 Ų194138.7 Ų138.791%0.90773%0.728SS**  trans-106.4137.3157.9-73.5-159.2155.200110.5
570P30Very low32.8Very low122 Ų122140.1 Ų140.179%0.79273%0.732SS**  trans-93.1117.117533.5-30.3000112.2M572P570-M572 PolarHBondContact O-N 2.86Å
571E25.6Very low31.8Very low188 Ų188145.3 Ų145.388%0.87975%0.751SS**  trans-64.8124.7165-71.9-169.1112.100110.9
572M28.6Very low31Very low156 Ų156149.2 Ų149.277%0.76877%0.766SS**  169.3117.9106.3-87.8-16179.300111.9P570 V574P570-M572 PolarHBondContact O-N 2.86Å; M572-V574 HydrophobicContact CE-CG2 3.57Å
573A26.6Very low30Very low101 Ų101148.4 Ų148.484%0.83578%0.78SS**  trans-142.580.1163.900000110.2Q575A573-Q575 PolarHBondContact O-N 3.4Å
574V26.6Very low29.3Very low114 Ų114148.5 Ų148.569%0.69179%0.785SS**  trans-79.3107.1-179.7177.20000110.3M572 V576M572-V574 HydrophobicContact CE-CG2 3.57Å; V574-V576 HydrophobicContact CG1-CG2 4.36Å
575Q26.7Very low28.8Very low189 Ų189149.6 Ų149.688%0.88380%0.796SS**  trans-113.1111.6161.8-81-169-3.900110.6A573 K577A573-Q575 PolarHBondContact O-N 3.4Å; Q575-K577 PolarHBondContact O-N 2.81Å
576V24.3Very low28Very low129 Ų129148 Ų14878%0.78280%0.796SS**  trans-73.2121.4172.71770000109.1V574 V578V574-V576 HydrophobicContact CG1-CG2 4.36Å; V576-V578 HydrophobicContact CG1-CG2 4.38Å
577K23.8Very low27.4Very low203 Ų203145.8 Ų145.888%0.88380%0.795SS**  trans-117.2110.9173.6-161174.9-174179.80109Q575 E579Q575-K577 PolarHBondContact O-N 2.81Å; K577-E579 PolarHBondContact O-N 2.96Å
578V25.4Very low26.9Very low131 Ų131152 Ų15279%0.79481%0.806SS**PPolyproline II helixtrans-79.8116.3179.6178.10000109.3V576V576-V578 HydrophobicContact CG1-CG2 4.38Å
579E24.5Very low26.5Very low180 Ų180155 Ų15584%0.84181%0.81SS**PPolyproline II helixtrans-90.7141.8170.9-172.1160.4-151.200110.6K577K577-E579 PolarHBondContact O-N 2.96Å
580K26.2Very low26.3Very low185 Ų185155.3 Ų155.380%0.80481%0.808SS**PPolyproline II helixtrans-94.9134.1175.3-70.2-178.8176.9-179.20109.7
581Q26Very low26.9Very low191 Ų191154.5 Ų154.589%0.89380%0.803SS**  trans-107.3143154.8-71.4-174.8-15.500109.3
582E25.8Very low26.9Very low187 Ų187156.5 Ų156.587%0.87480%0.802SS**  trans-104.4172.3-178.8-72.2-162.5136.700112.3
583A25.6Very low27Very low100 Ų100156.4 Ų156.483%0.82680%0.802SS**  trans72.6109.4162.800000118.2
584D25.2Very low27.1Very low157 Ų157157.4 Ų157.484%0.8479%0.794SS**  -151.5170.4111.3-164.922.5000111.9
585V28.2Very low27.5Very low126 Ų126157.8 Ų157.876%0.76480%0.796SS**  trans80125.1164.8-163.30000117
586S24.4Very low27.7Very low98 Ų98154.6 Ų154.669%0.68578%0.781SS**  trans-125.3159.9-18071.40000111.6
587V28.4Very low27.9Very low115 Ų115157.9 Ų157.970%0.69778%0.779SS**  trans68.8116.6158.2178.80000115.2
588R25.8Very low28.1Very low210 Ų210153.5 Ų153.579%0.79277%0.765SS**  -178.7142.766.6-134.6151.2-153.8-174.95113.9
589K26.4Very low28.3Very low179 Ų179152.5 Ų152.578%0.77876%0.764SS**  trans61.6109.5148.9-70.9168-179-175.20123.1
590K28.4Very low28.5Very low200 Ų200153.2 Ų153.287%0.8776%0.761SS**  32.9159.9108.1-79.3-165.8177.7-1720121.6
591P41.8Very low28.8Very low106 Ų106150.9 Ų150.969%0.68876%0.756SS**  cis-147.7173.1-26.440.9-22.6000117.4
592R27.2Very low29Very low229 Ų229149.1 Ų149.186%0.86475%0.753SS**  trans146.9129.8147.1-83.8168.1176.9175.2-0.8109
593M29.3Very low29.1Very low155 Ų155144 Ų14476%0.76475%0.75SS**  65.613063.9-67.1176.771.400112.1
594D29.5Very low29.3Very low122 Ų122147 Ų14765%0.65275%0.752SS**  cis-159.3170.322.2-123.8-21.2000114.1
595V35Very low29.4Very low122 Ų122148.1 Ų148.174%0.73976%0.755SS**  trans60.3128.2149.7165.60000118
596E31.3Very low29.7Very low122 Ų122148.3 Ų148.357%0.5776%0.756SS**  cis-166.9-166.4-9.4-134-157.4108.700106.7
597R28.1Very low30.6Very low198 Ų198148.6 Ų148.675%0.74776%0.755SS**  cis-148.9168.99.2179.1156.3-70.7161.25.3110.4
598N28.8Very low30.6Very low110 Ų110151.2 Ų151.259%0.58876%0.76SS**  trans-55.5171.5170.9-52-35000115.4Y600N598-Y600 HydrophobicContact CB-CD2 4.3Å
599S28.9Very low30.8Very low110 Ų110146.4 Ų146.477%0.76976%0.758SS**  cis-157.9139.719.7-3.90000109.3
600Y28.6Very low30.9Very low196 Ų196144.3 Ų144.377%0.76976%0.755SS**  88.9120.156.2-86.8-60.8000116.1N598N598-Y600 HydrophobicContact CB-CD2 4.3Å
601L33.1Very low30.9Very low136 Ų136144.7 Ų144.771%0.71275%0.751SS**  trans93.8111.3148.3-60.9164.3000122
602N29.5Very low30.3Very low154 Ų154146.4 Ų146.482%0.82475%0.753SS**  68.5141124.9-61.47.9000123.1
603G27.8Very low30.2Very low78 Ų78142.5 Ų142.580%0.80476%0.755SS**  trans152.793.5145.800000115
604D28.9Very low30.1Very low164 Ų164141.8 Ų141.888%0.87775%0.75SS**  trans-68.7138.7168.9-63.8-70.9000111.8
605M27.9Very low30Very low181 Ų181143.3 Ų143.389%0.89275%0.753SS**  trans-169.9136.5131.7-107.6171.465.600113.1
606V35.4Very low29.8Very low130 Ų130144.4 Ų144.479%0.78876%0.755SS**  trans-105.6144.6168-175.50000104.1
607P42.9Very low29.9Very low103 Ų103144.7 Ų144.767%0.66976%0.756SS**  -154.3167.853.146.4-25.6000120.2
608E28.2Very low29.8Very low171 Ų171141.2 Ų141.280%0.79976%0.757SS**  trans48.4114.8131-169.1169.8-140.100121.3
609S29.2Very low29.8Very low108 Ų108142 Ų14276%0.75576%0.757SS**  174.2139.9107.547.70000116.3
610N28.4Very low29.7Very low135 Ų135144.8 Ų144.872%0.72276%0.756SS**  trans32.3124.1142.2-77.6-56.5000124.2
611R28.8Very low29.7Very low208 Ų208144.8 Ų144.879%0.78576%0.76SS**  trans85.9117.8131.2-69.3175.7-176.3-157.7-0.8122.1
612I28.6Very low29.3Very low142 Ų142143.5 Ų143.573%0.72876%0.757SS**  59.4119.7126.2-54165.1000118.6
613T25.5Very low29.2Very low147 Ų147143.9 Ų143.990%0.90275%0.754SS**  trans-139.6154148.2-28.80000109.1
614Q27Very low29.1Very low141 Ų141146 Ų14666%0.65975%0.746SS**  trans-148.4142.4-171.9170178.7-9.900108.7
615E28.6Very low28.9Very low154 Ų154145.1 Ų145.172%0.7274%0.741SS**  trans63.6160.2170.3-76.4154.8-145.300117
616D30.6Very low28.7Very low145 Ų145146.5 Ų146.578%0.77574%0.736SS**  cis-172.9165.1-39.3-11941.2000106.4
617E33.3Very low28.2Very low128 Ų128148.1 Ų148.160%0.59874%0.736SS**  cis-155.7173.3-8.1-154.4-75.3100.400105.1E619E617-E619 VanDerWaalsContact CD-N 3.33Å; E617-E619 PolarHBondContact OE1-N 2.75Å; E617-E619 VanDerWaalsContact OE1-N 3.09Å; E617-E619 PolarHBondContact OE2-N 2.7Å
618T26.9Very low27.4Very low124 Ų124148.4 Ų148.476%0.76173%0.731SS**  trans-175.7103.7131.421.30000115.3
619E27.1Very low27.2Very low128 Ų128146.6 Ų146.660%0.59873%0.726SS**  trans42.5114.4139.9-58.4-163.5135.700121.4E617E617-E619 VanDerWaalsContact CD-N 3.33Å; E617-E619 PolarHBondContact OE1-N 2.75Å; E617-E619 VanDerWaalsContact OE1-N 3.09Å; E617-E619 PolarHBondContact OE2-N 2.7Å
620K28.4Very low26.9Very low168 Ų168153.4 Ų153.473%0.7374%0.735SS**  178.5124.3101.7-96.2150.2-159.984.60116.3
621K27.5Very low26.7Very low196 Ų196151.5 Ų151.585%0.85273%0.733SS**  24.2149.9129.3-72.6-172.2177.1-178.70121.9
622V25.8Very low26.5Very low109 Ų109147.3 Ų147.366%0.66173%0.73SS**  cis-179.5139.6-23.4107.40000108.7
623E26.2Very low26.3Very low162 Ų162150 Ų15076%0.75774%0.736SS**  trans59.3165.1154.8-68.3-175.1132.700120.1
624L25.8Very low26.4Very low121 Ų121149 Ų14963%0.63473%0.726SS**  cis-158.3162.7-8.1-118.6165.6000110.5
625N24.5Very low26.3Very low146 Ų146151.5 Ų151.578%0.78174%0.737SS**  trans68.3144.3151.8-74.2-30.1000123.5
626R24.2Very low26.2Very low210 Ų210150.2 Ų150.279%0.79274%0.74SS**  trans134.4108.9130.9-154.7175.7-160.9174.23.5111.5L628R626-L628 HydrophobicContact CG-CD1 4.21Å
627E25.4Very low26Very low165 Ų165149.2 Ų149.277%0.77174%0.739SS**  cis83.6151.647.4-164.8-165.2-12600113.6
628L26.2Very low25.7Very low108 Ų108149.8 Ų149.857%0.56575%0.746SS**  trans85.1129.6-179.9-61.2107.7000115.4R626R626-L628 HydrophobicContact CG-CD1 4.21Å
629L23.4Very low25.8Very low133 Ų133148.2 Ų148.270%0.69674%0.74SS**  cis86.611433.1-163.2-177.7000112
630W23.1Very low25.9Very low252 Ų252149 Ų14996%0.95575%0.749SS**  trans-126.2145.1166.4-97-68.5000112.3
631S24.6Very low26Very low95 Ų95148.9 Ų148.966%0.66475%0.751SS**  trans-141.5141.9176.6-169.80000109
632T23.4Very low26.2Very low120 Ų120147 Ų14774%0.73675%0.75SS**  trans25.5119.3162-300000120
633K25.8Very low27Very low197 Ų197147.4 Ų147.486%0.85775%0.754SS**  -151.5152.6125.7-145.4179.4176.5-168.10112.6
634D25.7Very low27.3Very low127 Ų127146.7 Ų146.768%0.67976%0.755SS**  trans-78151.3-177.4-33.3-102.4000113.1
635E24.9Very low27.9Very low193 Ų193146.5 Ų146.590%0.90276%0.764SS**  -169.4-175.2109.7-105.5177178.100111.4
636T26.5Very low28.8Very low128 Ų128143.4 Ų143.479%0.78575%0.754SS**  trans-129.3163.5-150.655.60000116.6
637V27.5Very low29.9Very low124 Ų124142.1 Ų142.175%0.75276%0.757SS**  trans92.5135.4146.9151.40000121.1
638N27.1Very low31.4Very low139 Ų139143.2 Ų143.274%0.74376%0.762SS**  trans75.1105.2159.2-79.610.1000123.8
639S29.2Very low32.8Very low91 Ų91144.8 Ų144.864%0.63677%0.77SS**  87.5147.2105.8-60.80000124.2
640D28.8Very low34.3Very low146 Ų146143.8 Ų143.878%0.78177%0.772SS**  trans84.4111.4152.6-57.6-17.5000122.7
641E30.6Very low35.8Very low165 Ų165141.4 Ų141.477%0.77176%0.763SS**  trans57.498.4137.5-56-161.2131.100123.2
642L31.9Very low37.3Very low157 Ų157146.6 Ų146.682%0.82277%0.774SS**  63.6165123.1-64.9174.2000120.9
643P41.9Very low39Very low117 Ų117146.9 Ų146.976%0.7678%0.775SS**  cis-121.2152.8-3035-21.4000112.6
644D32.3Very low40Very low146 Ų146144.7 Ų144.778%0.78177%0.771SS**  trans-101.4117174.1-172.213.3000112.2S646D644-S646 PolarHBondContact O-N 3.07Å; D644-S646 VanDerWaalsContact O-N 3.17Å
645S39Very low41.3Very low117 Ų117146.6 Ų146.682%0.81878%0.781SS**  trans-86.978.7-172.658.80000112.3
646S42.9Very low42.7Very low81 Ų81142.2 Ų142.257%0.56677%0.768SS**  trans-100.240.2-177.553.30000114.8D644 Q648D644-S646 PolarHBondContact O-N 3.07Å; D644-S646 VanDerWaalsContact O-N 3.17Å; S646-Q648 PolarHBondContact O-N 2.97Å
647E47Very low44Very low184 Ų184142.1 Ų142.186%0.8676%0.758SS**  trans-87.995.8168.8-70.6-160.3155.800111.7
648Q57Low45.5Very low188 Ų188145.2 Ų145.288%0.87976%0.762SS**  trans165.869.1143.2-89.5159.822.500111.1S646S646-Q648 PolarHBondContact O-N 2.97Å
649L55.3Low46.7Very low140 Ų140147.4 Ų147.473%0.73376%0.76SS**SBendtrans-128.4132.9161-71.2175.7000108.8R651L649-R651 PolarHBondContact O-N 3.37Å
650P54.9Low48Very low113 Ų113147.9 Ų147.973%0.73476%0.763SS**  trans-69.8102.5-177.427.3-33.7000111.2
651R54.8Low49.1Very low201 Ų201148.9 Ų148.976%0.75877%0.767SS**  trans-89.3139.7174.3-60.6179.3-173.7177.44.3109.4L649L649-R651 PolarHBondContact O-N 3.37Å
652K57.1Low50.1Low205 Ų205146.7 Ų146.789%0.89177%0.765SS**  trans8645-174.1-49.4171.8-177.6174.50116.9L654K652-L654 VanDerWaalsContact C-N 3.35Å
653V58.1Low50.4Low125 Ų125145.3 Ų145.376%0.75876%0.763SS**SBendtrans-76.6-20.4169.5-175.30000112.7
654L47.6Very low50.6Low151 Ų151144.7 Ų144.779%0.79176%0.761SS**  trans-119.1136.4176.4-66.3174.1000111.2K652K652-L654 VanDerWaalsContact C-N 3.35Å
655L53.9Low51Low167 Ų167144.7 Ų144.787%0.87476%0.761SS**  trans-125.383.1-178.9-155.5168.6000109.5E657L655-E657 PolarHBondContact O-N 3.5Å
656T52.7Low50.8Low102 Ų102144.6 Ų144.663%0.62676%0.761SS**  trans-80.8102.9-172.3-44.70000112.1F658T656-F658 HydrophobicContact CG2-CD2 4.26Å; T656-F658 HydrophobicContact CG2-CE2 3.68Å; T656-F658 HydrophobicContact CG2-CZ 3.83Å
657E54Low50.5Low125 Ų125146 Ų14658%0.58477%0.766SS**  trans-93.8112.8173.7-167.3-173.9-159.100111.9L655 R659L655-E657 PolarHBondContact O-N 3.5Å; E657-R659 HydrophobicContact CG-CG 4.13Å; E657-R659 PolarHBondContact O-N 3.04Å; E657-R659 IonicContact OE1-CZ 3.22Å; E657-R659 IonicContact OE1-NE 2.78Å; E657-R659 PolarHBondContact OE1-NE 3.32Å; E657-R659 IonicContact OE1-NH2 2.76Å; E657-R659 PolarHBondContact OE1-NH2 2.82Å; E657-R659 IonicContact OE2-CZ 3.66Å; E657-R659 IonicContact OE2-NE 3.95Å; E657-R659 PolarHBondContact OE2-NE 2.91Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 2.75Å
658F60.5Low49.9Very low190 Ų190142.5 Ų142.583%0.83376%0.762SS**  trans-8495.7175.3-68.7-87.4000111.2T656T656-F658 HydrophobicContact CG2-CD2 4.26Å; T656-F658 HydrophobicContact CG2-CE2 3.68Å; T656-F658 HydrophobicContact CG2-CZ 3.83Å
659R51.3Low48.9Very low185 Ų185144.2 Ų144.270%0.69876%0.76SS**  trans-87.7129.7175.3-66.4-165.9176.6-125.7-14112.5E657E657-R659 HydrophobicContact CG-CG 4.13Å; E657-R659 PolarHBondContact O-N 3.04Å; E657-R659 IonicContact OE1-CZ 3.22Å; E657-R659 IonicContact OE1-NE 2.78Å; E657-R659 PolarHBondContact OE1-NE 3.32Å; E657-R659 IonicContact OE1-NH2 2.76Å; E657-R659 PolarHBondContact OE1-NH2 2.82Å; E657-R659 IonicContact OE2-CZ 3.66Å; E657-R659 IonicContact OE2-NE 3.95Å; E657-R659 PolarHBondContact OE2-NE 2.91Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 2.75Å
660S56.7Low47.7Very low100 Ų100145.2 Ų145.270%0.69977%0.766SS**  trans-86123.8175.7-177.60000111.3V662S660-V662 VanDerWaalsContact C-N 3.25Å; S660-V662 PolarHBondContact O-N 3.25Å
661L51Low46.5Very low168 Ų168148.5 Ų148.588%0.8878%0.777SS**  trans-88.431.3-179.9-64.1176.3000113.4V663L661-V663 PolarHBondContact O-N 3Å
662V51.5Low45.3Very low118 Ų118144.3 Ų144.372%0.71578%0.777SS**  trans-87.3104.6178.2179.20000110.3S660 S664S660-V662 VanDerWaalsContact C-N 3.25Å; S660-V662 PolarHBondContact O-N 3.25Å; V662-S664 PolarHBondContact O-N 3.46Å
663V39.2Very low44Very low128 Ų128142 Ų14278%0.77677%0.771SS**  trans-70113.9174.9179.90000110.2L661L661-V663 PolarHBondContact O-N 3Å
664S45.5Very low42.7Very low104 Ų104142 Ų14273%0.72777%0.766SS**  trans-89.6114.9174.350.10000111V662 S666V662-S664 PolarHBondContact O-N 3.46Å; S664-S666 PolarHBondContact O-N 3.4Å
665N40.3Very low41.8Very low146 Ų146142.8 Ų142.878%0.78177%0.772SS**  trans-70.194.5179.9-80.9-18.4000111.8T667N665-T667 PolarHBondContact O-N 2.94Å; N665-T667 PolarHBondContact O-OG1 3.42Å
666S36Very low40.9Very low116 Ų116141.8 Ų141.881%0.81177%0.767SS**  trans-65.285.717858.90000112.5S664 S668S664-S666 PolarHBondContact O-N 3.4Å; S666-S668 PolarHBondContact O-N 2.65Å
667T37.1Very low39.8Very low109 Ų109143.6 Ų143.667%0.66978%0.782SS**  trans-89.987.8175.1-510000110.1N665 R669N665-T667 PolarHBondContact O-N 2.94Å; N665-T667 PolarHBondContact O-OG1 3.42Å; T667-R669 PolarHBondContact O-N 3.43Å; T667-R669 VanDerWaalsContact O-N 3.09Å
668S34.1Very low38.7Very low112 Ų112141.2 Ų141.278%0.78379%0.791SS**  trans-62.6109175.2560000111.2S666S666-S668 PolarHBondContact O-N 2.65Å
669R34.6Very low38Very low224 Ų224140.9 Ų140.985%0.84579%0.792SS**  trans-109.3113.8167.6-88.5-173.6165.4134.10.5110.1T667 L671T667-R669 PolarHBondContact O-N 3.43Å; T667-R669 VanDerWaalsContact O-N 3.09Å; R669-L671 PolarHBondContact O-N 3.11Å
670N30.6Very low37.6Very low160 Ų160139.7 Ų139.786%0.85680%0.799SS**  trans-57.7126171.6-65.8-65000110.3
671L29.7Very low37.3Very low182 Ų182144.5 Ų144.595%0.95381%0.807SS**  trans-86.4128.7167-90.5164.6000109R669R669-L671 PolarHBondContact O-N 3.11Å
672C30.4Very low37.3Very low114 Ų114143.3 Ų143.377%0.7780%0.802SS**  trans-128.5107.4-179-166.90000110.5
673M28.8Very low37.4Very low156 Ų156145.8 Ų145.877%0.76880%0.803SS**  trans74.2135.8155.5-61.1-66-93.800121.4
674L30.6Very low38.2Very low125 Ų125148.1 Ų148.165%0.65480%0.803SS**  trans53.3113.9152.1-95.664.2000120.6
675N29.6Very low38.9Very low168 Ų168152.3 Ų152.390%0.89881%0.808SS**  trans-100.9134.5135.5-77.9-38.5000108.1
676D33.6Very low39.5Very low145 Ų145154.6 Ų154.678%0.77581%0.811SS**  trans-136.4139.5165.2-114.5-39.8000109.2
677C29.8Very low40.4Very low140 Ų140158.2 Ų158.295%0.94681%0.812SS**  trans-88.8122.6-173.6-81.50000112
678G32.4Very low41.6Very low75 Ų75162.6 Ų162.677%0.77382%0.822SS**  trans-155.4100.1-177.900000115.8
679Q44.3Very low42.7Very low183 Ų183163.4 Ų163.486%0.85582%0.822SS**  trans8.9121.2161.8-68.8178.9-19.400121.4
680L43.8Very low43.7Very low160 Ų160159.4 Ų159.484%0.83882%0.815SS**  32.7112.9129.8-65170.9000120
681K49.6Very low45.3Very low202 Ų202158.9 Ų158.988%0.87881%0.805SS**  -154.1132.2127.9-107.1142.8-171.3169.90111.3
682N50.9Low46.2Very low142 Ų142156.8 Ų156.876%0.75980%0.802SS**  trans-100.3103.8-164.9-175.10.3000112
683F54.7Low47.7Very low171 Ų171154.6 Ų154.675%0.7580%0.799SS**  trans-141116.6169.4-72.4-75.5000111K685F683-K685 PolarHBondContact O-N 3.14Å
684K56Low49.3Very low177 Ų177149.4 Ų149.477%0.7778%0.781SS**  trans-66.6102174.4-74.6-177177.3177.90110.8F686K684-F686 HydrophobicContact CB-CE2 4.38Å
685K59.2Low50.9Low192 Ų192146.2 Ų146.284%0.83578%0.778SS**  trans-100.2106.7165.2-69.8-174.4178.2-179.40109.5F683 K687F683-K685 PolarHBondContact O-N 3.14Å; K685-K687 PolarHBondContact O-N 3.25Å
686F53.4Low52.8Low193 Ų193148.4 Ų148.485%0.84678%0.78SS**  trans-70.495.3176.5-70.2-89000110.6K684K684-F686 HydrophobicContact CB-CE2 4.38Å
687K55.4Low54.3Low192 Ų192148.7 Ų148.784%0.83578%0.78SS**  trans-89.8114.9172.1-165.9175.8-175.7-178.50108.8K685 V689K685-K687 PolarHBondContact O-N 3.25Å; K687-V689 PolarHBondContact O-N 3.14Å
688K61.1Low56Low202 Ų202147 Ų14788%0.87877%0.768SS**  trans-63.5108.2176.7-172.2175.1-177.3177.70109.2
689V58.4Low57.9Low128 Ų128151.2 Ų151.278%0.77677%0.767SS**PPolyproline II helixtrans-70.8129.2177.9-179.50000108.7K687 F691K687-V689 PolarHBondContact O-N 3.14Å; V689-F691 PolarHBondContact O-N 3.34Å
690M55.8Low59.3Low141 Ų141149 Ų14970%0.69576%0.76SS**PPolyproline II helixtrans-73.7123169.1-70.4175.767.400108.4A694M690-A694 HydrophobicContact CB-CB 4.24Å; M690-A694 HydrophobicContact CE-CB 3.72Å; M690-A694 VanDerWaalsContact CE-O 3.3Å; M690-A694 WeakPolarHBondContact CE-O 3.39Å
691F64Low60.5Low149 Ų149147.3 Ų147.365%0.65475%0.75SS**PPolyproline II helixtrans-73.4153.1177.355.1-91.8000111V689 G693 A694V689-F691 PolarHBondContact O-N 3.34Å; F691-G693 PolarHBondContact O-N 3.41Å; F691-G693 VanDerWaalsContact O-N 3.17Å; F691-A694 HydrophobicContact CE2-CB 4.44Å; F691-A694 HydrophobicContact CZ-CB 4.48Å; F691-A694 PolarHBondContact O-N 3.46Å; F691-A694 VanDerWaalsContact O-N 3.15Å
692P48.8Very low61.6Low138 Ų138138.9 Ų138.990%0.89672%0.721SS**THydrogen-bonded Turntrans-56.1120.9172-23.134.2000110.4
693G61Low62.4Low68 Ų68135.4 Ų135.470%0.70172%0.719SS**THydrogen-bonded Turntrans118.4-13.8-172.300000114.7F691 G695F691-G693 PolarHBondContact O-N 3.41Å; F691-G693 VanDerWaalsContact O-N 3.17Å; G693-G695 PolarHBondContact O-N 3.47Å
694A62Low63.1Low47 Ų47132.3 Ų132.339%0.38872%0.718SS.*  trans-78.234.2176.900000114.6M690 F691M690-A694 HydrophobicContact CB-CB 4.24Å; M690-A694 HydrophobicContact CE-CB 3.72Å; M690-A694 VanDerWaalsContact CE-O 3.3Å; M690-A694 WeakPolarHBondContact CE-O 3.39Å; F691-A694 HydrophobicContact CE2-CB 4.44Å; F691-A694 HydrophobicContact CZ-CB 4.48Å; F691-A694 PolarHBondContact O-N 3.46Å; F691-A694 VanDerWaalsContact O-N 3.15Å
695G66.1Low63.8Low58 Ų58127.3 Ų127.360%0.59870%0.7SS**SBendtrans-133.2164.6175.800000110.8G693 L697G693-G695 PolarHBondContact O-N 3.47Å; G695-L697 PolarHBondContact O-N 3.36Å
696K68.3Low64.4Low213 Ų213124 Ų12493%0.92669%0.691SS**PPolyproline II helixtrans-56.8133.4173.8-80.6-171.9174.1-175.60109.6
697L64.4Low65.2Low151 Ų151122.8 Ų122.879%0.79169%0.691SS**PPolyproline II helixtrans-55144.4168.2-69.1168.9000109.6G695G695-L697 PolarHBondContact O-N 3.36Å
698P67.4Low65.6Low106 Ų106117.6 Ų117.669%0.68868%0.684SS**PPolyproline II helixtrans-58.6149.1171.327.3-34.4000109.7I700P698-I700 PolarHBondContact O-N 3.49Å
699H71.9Confident65.5Low163 Ų163116.2 Ų116.276%0.75568%0.681SS**  trans-65104.6178.6-177.512.3000109.3I701 D705H699-I701 PolarHBondContact O-N 3.28Å; H699-D705 IonicContact CE1-OD2 2.75Å
700I74Confident65.5Low137 Ų137118.6 Ų118.670%0.70368%0.683SS**  trans-73.2124.2172.4-56.2176.3000106.8P698 G702P698-I700 PolarHBondContact O-N 3.49Å; I700-G702 PolarHBondContact O-N 3.29Å
701I68.7Low65.7Low123 Ų123115.6 Ų115.663%0.63168%0.681SS**  trans-64113.8176.1-59.9177.4000107.7H699 D705 L706H699-I701 PolarHBondContact O-N 3.28Å; I701-D705 HydrophobicContact CG2-CB 3.8Å; I701-L706 HydrophobicContact CG2-CD2 4.21Å
702G72.4Confident65.5Low26 Ų26118.7 Ų118.727%0.26869%0.688SS.*  trans-88.5170.3-179.500000112.8I700 S704 D705I700-G702 PolarHBondContact O-N 3.29Å; G702-S704 PolarHBondContact O-N 3.09Å; G702-S704 VanDerWaalsContact O-N 3.14Å; G702-D705 PolarHBondContact N-OD2 2.72Å; G702-D705 WeakPolarHBondContact O-CB 3.24Å; G702-D705 PolarHBondContact O-N 3.36Å
703G68.3Low66.1Low69 Ų69120.3 Ų120.371%0.71168%0.681SS**THydrogen-bonded Turntrans-62.8-17174.600000114.4D705G703-D705 VanDerWaalsContact C-N 3.29Å
704S69.3Low66.5Low105 Ų105121.8 Ų121.873%0.73467%0.673SS**THydrogen-bonded Turntrans-69.4-24.3169.645.50000113.8G702G702-S704 PolarHBondContact O-N 3.09Å; G702-S704 VanDerWaalsContact O-N 3.14Å
705D70.3Confident67.2Low73 Ų73123.4 Ų123.439%0.3968%0.678SS.*SBendtrans-98.9-4.3-168.3-44.8-18.8000110.5H699 I701 G702 G703H699-D705 IonicContact CE1-OD2 2.75Å; I701-D705 HydrophobicContact CG2-CB 3.8Å; G702-D705 PolarHBondContact N-OD2 2.72Å; G702-D705 WeakPolarHBondContact O-CB 3.24Å; G702-D705 PolarHBondContact O-N 3.36Å; G703-D705 VanDerWaalsContact C-N 3.29Å
706L71.6Confident67.8Low123 Ų123128.2 Ų128.264%0.64469%0.685SS**  trans-93.3105.3176.9-61.6179.4000110.4I701 A708I701-L706 HydrophobicContact CG2-CD2 4.21Å; L706-A708 PolarHBondContact O-N 3.35Å
707I69.1Low68.4Low167 Ų167122.5 Ų122.586%0.85666%0.664SS**  trans-67.8121.4168.2-57.7176.4000108.2H709I707-H709 PolarHBondContact O-N 3.41Å; I707-H709 VanDerWaalsContact O-N 3.08Å
708A64.6Low69.3Low83 Ų83119.4 Ų119.469%0.68665%0.646SS**  trans-61.5114.1175.500000110L706 Q710L706-A708 PolarHBondContact O-N 3.35Å; A708-Q710 PolarHBondContact O-N 3.18Å
709H58.3Low70.1Confident173 Ų173120 Ų12080%0.80164%0.639SS**  trans-62.496.3177.9180-77000109.9I707 A711I707-H709 PolarHBondContact O-N 3.41Å; I707-H709 VanDerWaalsContact O-N 3.08Å; H709-A711 PolarHBondContact O-N 3.07Å
710Q58.8Low70.7Confident177 Ų177119.5 Ų119.583%0.82763%0.631SS**  trans-65.9100.4169.3-76.2-176.7-18.700107.9A708 R712A708-Q710 PolarHBondContact O-N 3.18Å; Q710-R712 PolarHBondContact O-N 3.48Å
711A59.8Low71.3Confident79 Ų79117.1 Ų117.165%0.65362%0.619SS**  trans-6189.316000000107.7H709 K713H709-A711 PolarHBondContact O-N 3.07Å; A711-K713 PolarHBondContact O-N 3.15Å
712R61.6Low72.1Confident214 Ų214116.2 Ų116.281%0.80861%0.611SS**  trans-49.1125.2151.8-76.4-173173.2-163.6-1.7105.2Q710 N714Q710-R712 PolarHBondContact O-N 3.48Å; R712-N714 VanDerWaalsContact C-N 3.34Å; R712-N714 PolarHBondContact O-N 3.12Å
713K60.7Low72.8Confident171 Ų171120.8 Ų120.874%0.74363%0.625SS**  trans-60.2108.6161.3-63.2-176.4179.3-173.20104.6A711 T715A711-K713 PolarHBondContact O-N 3.15Å; K713-T715 PolarHBondContact O-N 3.08Å
714N69.1Low73.7Confident99 Ų99120.5 Ų120.553%0.52961%0.605SS.*  trans-69.388.3170.6-77.9-7.1000105.4R712 E716 L717 E718R712-N714 VanDerWaalsContact C-N 3.34Å; R712-N714 PolarHBondContact O-N 3.12Å; N714-E716 PolarHBondContact O-N 3.29Å; N714-L717 HydrophobicContact CB-CB 3.64Å; N714-L717 WeakPolarHBondContact O-CA 3.28Å; N714-L717 WeakPolarHBondContact O-CB 3.31Å; N714-L717 PolarHBondContact O-N 3.43Å; N714-E718 PolarHBondContact O-N 3.44Å
715T77.1Confident74.3Confident82 Ų82120.8 Ų120.850%0.50360%0.596SS.*Hα-helixtrans-58.3-37.8179.751.80000109.7K713 L717 E718 E719K713-T715 PolarHBondContact O-N 3.08Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.11Å; T715-E718 CarbonylContact O-C 3.59Å; T715-E718 PolarHBondContact O-N 2.81Å; T715-E718 VanDerWaalsContact O-N 3.13Å; T715-E719 WeakPolarHBondContact O-CB 3.34Å; T715-E719 WeakPolarHBondContact O-CG 3.36Å; T715-E719 PolarHBondContact O-N 3.43Å
716E78.7Confident74.9Confident159 Ų159121.4 Ų121.474%0.74360%0.596SS**Hα-helixtrans-53.5-41.5168.4-175.3174.1-154.900113.6N714 W720N714-E716 PolarHBondContact O-N 3.29Å; E716-W720 WeakPolarHBondContact O-CB 3.43Å; E716-W720 PolarHBondContact O-N 3.3Å
717L80.6Confident75.3Confident92 Ų92118.5 Ų118.548%0.48258%0.584SS.*Hα-helixtrans-75.2-36.5175.6-175.366.9000111.9N714 T715 E719 W720 L721N714-L717 HydrophobicContact CB-CB 3.64Å; N714-L717 WeakPolarHBondContact O-CA 3.28Å; N714-L717 WeakPolarHBondContact O-CB 3.31Å; N714-L717 PolarHBondContact O-N 3.43Å; T715-L717 VanDerWaalsContact C-N 3.33Å; T715-L717 PolarHBondContact O-N 3.11Å; L717-E719 VanDerWaalsContact C-N 3.34Å; L717-W720 HydrophobicContact CD1-CE3 4.47Å; L717-W720 PolarHBondContact O-N 3.41Å; L717-L721 HydrophobicContact CG-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.24Å; L717-L721 WeakPolarHBondContact O-CG 3.43Å; L717-L721 PolarHBondContact O-N 3.18Å
718E82.3Confident75.6Confident86 Ų86115.6 Ų115.640%0.40257%0.567SS.*Hα-helixtrans-68.9-34.1175.9-158.4-170.4126.700111.6N714 T715 K722N714-E718 PolarHBondContact O-N 3.44Å; T715-E718 CarbonylContact O-C 3.59Å; T715-E718 PolarHBondContact O-N 2.81Å; T715-E718 VanDerWaalsContact O-N 3.13Å; E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.17Å; E718-K722 WeakPolarHBondContact O-CG 3.47Å; E718-K722 PolarHBondContact O-N 3.34Å; E718-K722 VanDerWaalsContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.47Å; E718-K722 IonicContact OE1-NZ 2.7Å; E718-K722 PolarHBondContact OE1-NZ 2.92Å
719E84.3Confident76.2Confident119 Ų119116.7 Ų116.756%0.55655%0.553SS**Hα-helixtrans-74.1-42173.6-74.4158.9-150.900110.9T715 L717 K722 H723T715-E719 WeakPolarHBondContact O-CB 3.34Å; T715-E719 WeakPolarHBondContact O-CG 3.36Å; T715-E719 PolarHBondContact O-N 3.43Å; L717-E719 VanDerWaalsContact C-N 3.34Å; E719-K722 PolarHBondContact O-N 2.93Å; E719-H723 VanDerWaalsContact O-CB 3.32Å; E719-H723 WeakPolarHBondContact O-CB 3.33Å; E719-H723 PolarHBondContact O-N 3.36Å
720W84.5Confident76.8Confident152 Ų152112.3 Ų112.358%0.57653%0.533SS*.Hα-helixtrans-61.1-45.8172.9-172.985.8000111.6E716 L717 K722 H723 E724E716-W720 WeakPolarHBondContact O-CB 3.43Å; E716-W720 PolarHBondContact O-N 3.3Å; L717-W720 HydrophobicContact CD1-CE3 4.47Å; L717-W720 PolarHBondContact O-N 3.41Å; W720-K722 VanDerWaalsContact C-N 3.34Å; W720-K722 PolarHBondContact O-N 3.1Å; W720-H723 PolarHBondContact O-N 2.98Å; W720-E724 WeakPolarHBondContact O-CB 3.35Å; W720-E724 PolarHBondContact O-N 2.79Å
721L87.4Confident77.3Confident88 Ų88108.7 Ų108.746%0.46152%0.516SS..Hα-helixtrans-63.1-36.3174.8-73.5168.4000112.8L717 M725L717-L721 HydrophobicContact CG-CD1 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.24Å; L717-L721 WeakPolarHBondContact O-CG 3.43Å; L717-L721 PolarHBondContact O-N 3.18Å; L721-M725 WeakPolarHBondContact O-CB 3.34Å; L721-M725 WeakPolarHBondContact O-CE 3.13Å; L721-M725 WeakPolarHBondContact O-CG 3.25Å; L721-M725 PolarHBondContact O-N 2.87Å
722K86.5Confident77.8Confident103 Ų103106.4 Ų106.445%0.44850%0.497SS..Hα-helixtrans-69.2-40.8173.5-75.3164.3-167.9162.60112.2E718 E719 W720 M725 E726E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.17Å; E718-K722 WeakPolarHBondContact O-CG 3.47Å; E718-K722 PolarHBondContact O-N 3.34Å; E718-K722 VanDerWaalsContact O-N 3.11Å; E718-K722 WeakPolarHBondContact OE1-CE 3.47Å; E718-K722 IonicContact OE1-NZ 2.7Å; E718-K722 PolarHBondContact OE1-NZ 2.92Å; E719-K722 PolarHBondContact O-N 2.93Å; W720-K722 VanDerWaalsContact C-N 3.34Å; W720-K722 PolarHBondContact O-N 3.1Å; K722-M725 HydrophobicContact CG-CE 4.36Å; K722-M725 PolarHBondContact O-N 3.31Å; K722-E726 PolarHBondContact O-N 3.17Å
723H85.5Confident78Confident122 Ų122100.3 Ų100.357%0.56548%0.476SS*.Hα-helixtrans-63.3-47.5176.6-176.8-81.2000110.5E719 W720 M725 E726 V727E719-H723 VanDerWaalsContact O-CB 3.32Å; E719-H723 WeakPolarHBondContact O-CB 3.33Å; E719-H723 PolarHBondContact O-N 3.36Å; W720-H723 PolarHBondContact O-N 2.98Å; H723-M725 PolarHBondContact O-N 2.76Å; H723-E726 PolarHBondContact O-N 3.39Å; H723-E726 VanDerWaalsContact O-N 3.08Å; H723-V727 VanDerWaalsContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact O-CG2 3.4Å; H723-V727 PolarHBondContact O-N 3.01Å
724E87.3Confident78Confident63 Ų6397.3 Ų97.329%0.29447%0.465SS..Hα-helixtrans-58.4-45.9175.6-176.555.5-151.700111.8W720 E726 V727 Q728W720-E724 WeakPolarHBondContact O-CB 3.35Å; W720-E724 PolarHBondContact O-N 2.79Å; E724-E726 VanDerWaalsContact C-N 3.3Å; E724-E726 PolarHBondContact O-N 3.1Å; E724-V727 PolarHBondContact O-N 3.26Å; E724-Q728 WeakPolarHBondContact O-CB 3.35Å; E724-Q728 WeakPolarHBondContact O-CG 3.33Å; E724-Q728 PolarHBondContact O-N 3.36Å; E724-Q728 PolarHBondContact OE1-NE2 3.15Å
725M81.4Confident77.8Confident112 Ų11297.7 Ų97.755%0.55246%0.464SS*.Hα-helixtrans-62.7-31.5173.8-76.2-171.4-6600113.8L721 K722 H723 R729L721-M725 WeakPolarHBondContact O-CB 3.34Å; L721-M725 WeakPolarHBondContact O-CE 3.13Å; L721-M725 WeakPolarHBondContact O-CG 3.25Å; L721-M725 PolarHBondContact O-N 2.87Å; K722-M725 HydrophobicContact CG-CE 4.36Å; K722-M725 PolarHBondContact O-N 3.31Å; H723-M725 PolarHBondContact O-N 2.76Å; M725-R729 VanDerWaalsContact O-CB 3.28Å; M725-R729 WeakPolarHBondContact O-CB 3.02Å; M725-R729 PolarHBondContact O-N 3.09Å
726E83.4Confident77.2Confident85 Ų8594.4 Ų94.440%0.39744%0.444SS..Hα-helixtrans-77.4-37.5175.2-162.768.8-119.900111.8K722 H723 E724 R729 Q730K722-E726 PolarHBondContact O-N 3.17Å; H723-E726 PolarHBondContact O-N 3.39Å; H723-E726 VanDerWaalsContact O-N 3.08Å; E724-E726 VanDerWaalsContact C-N 3.3Å; E724-E726 PolarHBondContact O-N 3.1Å; E726-R729 PolarHBondContact O-N 3.45Å; E726-R729 WeakPolarHBondContact OE1-CD 3.32Å; E726-R729 IonicContact OE1-CZ 3.52Å; E726-R729 IonicContact OE1-NE 2.67Å; E726-R729 IonicContact OE1-NH1 2.68Å; E726-R729 PolarHBondContact OE1-NH1 3.35Å; E726-R729 IonicContact OE2-CZ 2.65Å; E726-R729 IonicContact OE2-NH1 2.66Å; E726-R729 PolarHBondContact OE2-NH1 3.42Å; E726-R729 IonicContact OE2-NH2 3.56Å; E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 PolarHBondContact O-N 3.48Å
727V80.4Confident76.4Confident62 Ų6290 Ų9038%0.37643%0.425SS..Hα-helixtrans-61.2-49.9172.4169.80000110.1H723 E724 R729 Q730 Q731H723-V727 VanDerWaalsContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact CE1-CG2 3.47Å; H723-V727 WeakPolarHBondContact O-CG2 3.4Å; H723-V727 PolarHBondContact O-N 3.01Å; E724-V727 PolarHBondContact O-N 3.26Å; V727-R729 VanDerWaalsContact C-N 3.32Å; V727-R729 PolarHBondContact O-N 2.93Å; V727-Q730 CarbonylContact O-C 3.57Å; V727-Q730 PolarHBondContact O-N 2.86Å; V727-Q731 WeakPolarHBondContact O-CB 3.38Å; V727-Q731 PolarHBondContact O-N 2.76Å
728Q75.6Confident75.2Confident106 Ų10688.7 Ų88.750%0.49543%0.427SS..Hα-helixtrans-61.4-38.8175.3-69.7179.413.200112E724 Q730 A732E724-Q728 WeakPolarHBondContact O-CB 3.35Å; E724-Q728 WeakPolarHBondContact O-CG 3.33Å; E724-Q728 PolarHBondContact O-N 3.36Å; E724-Q728 PolarHBondContact OE1-NE2 3.15Å; Q728-Q730 VanDerWaalsContact C-N 3.31Å; Q728-Q730 PolarHBondContact O-N 3.38Å; Q728-A732 WeakPolarHBondContact O-CB 3.27Å; Q728-A732 PolarHBondContact O-N 3.16Å
729R77.5Confident74.5Confident107 Ų10786 Ų8640%0.40442%0.416SS..Hα-helixtrans-64.8-36173.3-167.4-166.9-58.91474.4111.8V122 M725 E726 V727 K733V122-R729 HydrophobicContact CG2-CG 3.91Å; M725-R729 VanDerWaalsContact O-CB 3.28Å; M725-R729 WeakPolarHBondContact O-CB 3.02Å; M725-R729 PolarHBondContact O-N 3.09Å; E726-R729 PolarHBondContact O-N 3.45Å; E726-R729 WeakPolarHBondContact OE1-CD 3.32Å; E726-R729 IonicContact OE1-CZ 3.52Å; E726-R729 IonicContact OE1-NE 2.67Å; E726-R729 IonicContact OE1-NH1 2.68Å; E726-R729 PolarHBondContact OE1-NH1 3.35Å; E726-R729 IonicContact OE2-CZ 2.65Å; E726-R729 IonicContact OE2-NH1 2.66Å; E726-R729 PolarHBondContact OE2-NH1 3.42Å; E726-R729 IonicContact OE2-NH2 3.56Å; V727-R729 VanDerWaalsContact C-N 3.32Å; V727-R729 PolarHBondContact O-N 2.93Å; R729-K733 VanDerWaalsContact O-CG 3.26Å; R729-K733 WeakPolarHBondContact O-CG 3.41Å; R729-K733 PolarHBondContact O-N 2.89Å
730Q70.4Confident74Confident80 Ų8081.3 Ų81.337%0.37440%0.395SS..Hα-helixtrans-73.8-45.8178.9-172.459.720.200111.3E726 V727 Q728 A732 K733 E734E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 PolarHBondContact O-N 3.48Å; V727-Q730 CarbonylContact O-C 3.57Å; V727-Q730 PolarHBondContact O-N 2.86Å; Q728-Q730 VanDerWaalsContact C-N 3.31Å; Q728-Q730 PolarHBondContact O-N 3.38Å; Q730-A732 PolarHBondContact O-N 3.08Å; Q730-K733 WeakPolarHBondContact O-CB 3.39Å; Q730-K733 PolarHBondContact O-N 3.14Å; Q730-K733 VanDerWaalsContact O-N 3.14Å; Q730-K733 VanDerWaalsContact OE1-NZ 3.11Å; Q730-E734 WeakPolarHBondContact CG-OE1 3.22Å; Q730-E734 PolarHBondContact NE2-OE1 3.12Å; Q730-E734 WeakPolarHBondContact O-CG 3.37Å; Q730-E734 PolarHBondContact O-N 2.61Å
731Q69.8Low73.3Confident101 Ų10174.3 Ų74.347%0.47237%0.368SS..Hα-helixtrans-57.3-47171.9-179.5176.2-14.700111.3V727 K733 E734 E735V727-Q731 WeakPolarHBondContact O-CB 3.38Å; V727-Q731 PolarHBondContact O-N 2.76Å; Q731-K733 PolarHBondContact O-N 3.26Å; Q731-E734 CarbonylContact O-C 3.18Å; Q731-E734 PolarHBondContact O-N 3.25Å; Q731-E735 HydrophobicContact CG-CG 4.17Å; Q731-E735 WeakPolarHBondContact CG-OE1 3.49Å; Q731-E735 PolarHBondContact NE2-OE1 3.38Å; Q731-E735 WeakPolarHBondContact O-CB 3.25Å; Q731-E735 WeakPolarHBondContact O-CG 3.43Å; Q731-E735 PolarHBondContact O-N 2.74Å
732A69.1Low72.3Confident31 Ų3171.2 Ų71.226%0.25635%0.351SS..Hα-helixtrans-65.4-23.4178.300000114.1Q728 Q730 S736Q728-A732 WeakPolarHBondContact O-CB 3.27Å; Q728-A732 PolarHBondContact O-N 3.16Å; Q730-A732 PolarHBondContact O-N 3.08Å; A732-S736 WeakPolarHBondContact O-CB 3.47Å
733K67.3Low71Confident86 Ų8674 Ų7437%0.37436%0.359SS..Hα-helixtrans-75.9-45.8166.7-66.7160.7-166.9154.10110.6R729 Q730 Q731 S736 L737R729-K733 VanDerWaalsContact O-CG 3.26Å; R729-K733 WeakPolarHBondContact O-CG 3.41Å; R729-K733 PolarHBondContact O-N 2.89Å; Q730-K733 WeakPolarHBondContact O-CB 3.39Å; Q730-K733 PolarHBondContact O-N 3.14Å; Q730-K733 VanDerWaalsContact O-N 3.14Å; Q730-K733 VanDerWaalsContact OE1-NZ 3.11Å; Q731-K733 PolarHBondContact O-N 3.26Å; K733-S736 CarbonylContact O-C 3.55Å; K733-S736 PolarHBondContact O-N 2.89Å; K733-L737 WeakPolarHBondContact O-CB 3.38Å; K733-L737 WeakPolarHBondContact O-CG 3.47Å; K733-L737 PolarHBondContact O-N 2.66Å
734E59.9Low69.1Low108 Ų10874.1 Ų74.151%0.50536%0.355SS..Hα-helixtrans-67.5-41.8-175.4-75177.2-167.600112.2Q730 Q731 L737 A738Q730-E734 WeakPolarHBondContact CG-OE1 3.22Å; Q730-E734 PolarHBondContact NE2-OE1 3.12Å; Q730-E734 WeakPolarHBondContact O-CG 3.37Å; Q730-E734 PolarHBondContact O-N 2.61Å; Q731-E734 CarbonylContact O-C 3.18Å; Q731-E734 PolarHBondContact O-N 3.25Å; E734-L737 CarbonylContact O-C 3.12Å; E734-L737 WeakPolarHBondContact O-CA 3.25Å; E734-L737 PolarHBondContact O-N 3.1Å; E734-A738 WeakPolarHBondContact O-CB 3.27Å; E734-A738 PolarHBondContact O-N 3.21Å
735E64.5Low66.7Low108 Ų10875 Ų7551%0.50536%0.362SS..Hα-helixtrans-58.4-47.6168.9-70.9173.3177.200111Q731 L737 A738 D739Q731-E735 HydrophobicContact CG-CG 4.17Å; Q731-E735 WeakPolarHBondContact CG-OE1 3.49Å; Q731-E735 PolarHBondContact NE2-OE1 3.38Å; Q731-E735 WeakPolarHBondContact O-CB 3.25Å; Q731-E735 WeakPolarHBondContact O-CG 3.43Å; Q731-E735 PolarHBondContact O-N 2.74Å; E735-L737 PolarHBondContact O-N 3.47Å; E735-L737 VanDerWaalsContact O-N 3.12Å; E735-A738 PolarHBondContact O-N 3.18Å; E735-A738 VanDerWaalsContact O-N 3.08Å; E735-D739 PolarHBondContact O-N 2.84Å
736S64.5Low64.6Low13 Ų1374 Ų749%0.09136%0.364CS..Hα-helixtrans-69.8-5.5176.3-169.10000114.4C119 A732 K733C119-S736 VanDerWaalsContact CA-OG 3.31Å; C119-S736 WeakPolarHBondContact CA-OG 3.37Å; C119-S736 PolarHBondContact N-OG 3.23Å; A732-S736 WeakPolarHBondContact O-CB 3.47Å; K733-S736 CarbonylContact O-C 3.55Å; K733-S736 PolarHBondContact O-N 2.89Å
737L61.4Low62.2Low66 Ų6676.6 Ų76.635%0.34638%0.381SS..Hα-helixtrans-109.4-13.5172-70.6170.8000112.5K733 E734 E735 D740K733-L737 WeakPolarHBondContact O-CB 3.38Å; K733-L737 WeakPolarHBondContact O-CG 3.47Å; K733-L737 PolarHBondContact O-N 2.66Å; E734-L737 CarbonylContact O-C 3.12Å; E734-L737 WeakPolarHBondContact O-CA 3.25Å; E734-L737 PolarHBondContact O-N 3.1Å; E735-L737 PolarHBondContact O-N 3.47Å; E735-L737 VanDerWaalsContact O-N 3.12Å; L737-D740 WeakPolarHBondContact O-CB 3.32Å
738A56Low59.8Low64 Ų6478.6 Ų78.653%0.52939%0.393SS..Hα-helixtrans-86.6-23.1168.800000111.3K237 E734 E735 D740K237-A738 WeakPolarHBondContact CE-O 3.24Å; K237-A738 PolarHBondContact NZ-O 3.34Å; E734-A738 WeakPolarHBondContact O-CB 3.27Å; E734-A738 PolarHBondContact O-N 3.21Å; E735-A738 PolarHBondContact O-N 3.18Å; E735-A738 VanDerWaalsContact O-N 3.08Å; A738-D740 PolarHBondContact O-N 2.95Å
739D67.3Low57.6Low31 Ų3182.8 Ų82.817%0.16641%0.409CS..SBendtrans-62-26.7168.3-101.5-0.9000112.9T158 I159 K160 E735T158-D739 CarbonylContact C-O 3.44Å; T158-D739 WeakPolarHBondContact CA-O 3.45Å; T158-D739 HydrophobicContact CG2-CB 4.06Å; I159-D739 HydrophobicContact CG2-CB 4.44Å; I159-D739 WeakPolarHBondContact CG2-OD1 3.42Å; I159-D739 PolarHBondContact N-O 2.82Å; K160-D739 IonicContact NZ-OD2 3.07Å; E735-D739 PolarHBondContact O-N 2.84Å
740D75Confident55.4Low19 Ų1989.2 Ų89.210%0.10243%0.433CS..BIsolated β-bridgetrans-66.5121.5178.7-179.2-31.1000111.3L737 A738 F742 R743L737-D740 WeakPolarHBondContact O-CB 3.32Å; A738-D740 PolarHBondContact O-N 2.95Å; D740-F742 PolarHBondContact OD1-N 3.27Å; D740-R743 HydrophobicContact CB-CB 4.49Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact OD1-N 3.06Å; D740-R743 VanDerWaalsContact OD2-CD 3.26Å; D740-R743 WeakPolarHBondContact OD2-CD 3.18Å; D740-R743 VanDerWaalsContact OD2-CG 3.32Å; D740-R743 WeakPolarHBondContact OD2-CG 3.4Å; D740-R743 IonicContact OD2-NE 3.34Å
741L70.1Confident53.4Low5 Ų5100.6 Ų100.63%0.02647%0.473CS..SBendtrans-83.1-12-175.2-59.5174.6000113.6V157 I162 L238 E307 A308V157-L741 HydrophobicContact CG1-CD1 4.4Å; V157-L741 WeakPolarHBondContact O-CB 3.17Å; V157-L741 PolarHBondContact O-N 2.94Å; I162-L741 HydrophobicContact CG1-CD1 3.55Å; L238-L741 HydrophobicContact CD2-CD2 3.73Å; E307-L741 HydrophobicContact CG-CD2 3.84Å; E307-L741 WeakPolarHBondContact OE1-CD2 3.18Å; A308-L741 WeakPolarHBondContact CB-O 3.38Å
742F64.8Low52.6Low23 Ų23100.6 Ų100.610%0.10147%0.473CS..SBendtrans-111.7-11.2-168.5-71-88.2000113.9V157 A204 A308 L312 D740 Y744V157-F742 HydrophobicContact CB-CD2 3.62Å; V157-F742 HydrophobicContact CB-CE2 3.52Å; V157-F742 HydrophobicContact CG1-CD2 4.08Å; V157-F742 HydrophobicContact CG1-CE2 3.48Å; V157-F742 VanDerWaalsContact CG1-CE2 3.48Å; V157-F742 HydrophobicContact CG1-CZ 4.47Å; V157-F742 HydrophobicContact CG2-CD2 4.37Å; V157-F742 HydrophobicContact CG2-CE2 4.21Å; A204-F742 HydrophobicContact CB-CB 3.66Å; A204-F742 HydrophobicContact CB-CD1 3.34Å; A204-F742 HydrophobicContact CB-CE1 4.25Å; A204-F742 HydrophobicContact CB-CG 3.7Å; A308-F742 HydrophobicContact CB-CD1 4.17Å; A308-F742 HydrophobicContact CB-CE1 4.01Å; A308-F742 HydrophobicContact CB-CZ 4.44Å; A308-F742 WeakPolarHBondContact O-CZ 3.45Å; L312-F742 HydrophobicContact CD1-CE1 4.09Å; L312-F742 HydrophobicContact CD2-CE1 3.58Å; L312-F742 HydrophobicContact CD2-CZ 3.8Å; L312-F742 HydrophobicContact CG-CE1 3.59Å; L312-F742 HydrophobicContact CG-CZ 3.7Å; D740-F742 PolarHBondContact OD1-N 3.27Å; F742-Y744 PolarHBondContact O-N 2.67Å
743R59.9Low51.8Low161 Ų161104.2 Ų104.261%0.60848%0.484SS*.  trans-61.2-22.6172.9-93.2177.2162.4-118.6-11.7115.2D740 N745D740-R743 HydrophobicContact CB-CB 4.49Å; D740-R743 HydrophobicContact CB-CG 4.38Å; D740-R743 PolarHBondContact OD1-N 3.06Å; D740-R743 VanDerWaalsContact OD2-CD 3.26Å; D740-R743 WeakPolarHBondContact OD2-CD 3.18Å; D740-R743 VanDerWaalsContact OD2-CG 3.32Å; D740-R743 WeakPolarHBondContact OD2-CG 3.4Å; D740-R743 IonicContact OD2-NE 3.34Å; R743-N745 PolarHBondContact O-N 2.91Å
744Y45.1Very low50.9Low126 Ų126105.2 Ų105.249%0.49449%0.491SS..  trans-79.769.2173.4-153.4-75.8000111.3G274 T276 F742 P746G274-Y744 PolarHBondContact O-OH 2.88Å; T276-Y744 PolarHBondContact OG1-OH 2.9Å; F742-Y744 PolarHBondContact O-N 2.67Å; Y744-P746 HydrophobicContact CE1-CB 4.46Å; Y744-P746 WeakPolarHBondContact O-CD 3.36Å
745N38.3Very low50.4Low81 Ų81105.1 Ų105.143%0.43349%0.49SS..  trans-104.499.2169.5-172.8-21.9000109.6R743 N747 V748R743-N745 PolarHBondContact O-N 2.91Å; N745-N747 PolarHBondContact O-N 3.02Å; N745-N747 PolarHBondContact OD1-N 3.3Å; N745-V748 HydrophobicContact CB-CG2 3.95Å; N745-V748 PolarHBondContact O-N 3.43Å; N745-V748 VanDerWaalsContact O-N 3.15Å
746P36.8Very low49.5Very low91 Ų91104.9 Ų104.959%0.59149%0.489SS*.THydrogen-bonded Turntrans-66.3-9-172.526.7-35.2000114Y744Y744-P746 HydrophobicContact CE1-CB 4.46Å; Y744-P746 WeakPolarHBondContact O-CD 3.36Å
747N31.9Very low48.5Very low140 Ų140111 Ų11175%0.74952%0.515SS*.THydrogen-bonded Turntrans-87.3-6178-65.1-72.1000113.9N745 K749N745-N747 PolarHBondContact O-N 3.02Å; N745-N747 PolarHBondContact OD1-N 3.3Å; N747-K749 VanDerWaalsContact C-N 3.28Å; N747-K749 PolarHBondContact O-N 3.45Å
748V31.7Very low47.6Very low104 Ų104114.2 Ų114.263%0.6353%0.527SS*.  trans-78.378.8177.9-172.90000110.3N745 R750N745-V748 HydrophobicContact CB-CG2 3.95Å; N745-V748 PolarHBondContact O-N 3.43Å; N745-V748 VanDerWaalsContact O-N 3.15Å; V748-R750 PolarHBondContact O-N 3.17Å; V748-R750 VanDerWaalsContact O-N 3.07Å
749K29.5Very low46.9Very low193 Ų193118.1 Ų118.184%0.83953%0.527SS*.  trans-56.6113.1161.3-70.2-173178-175.90108.3N747 R751N747-K749 VanDerWaalsContact C-N 3.28Å; N747-K749 PolarHBondContact O-N 3.45Å; K749-R751 PolarHBondContact O-N 3.44Å
750R29.2Very low45.2Very low242 Ų242125.3 Ų125.391%0.91356%0.557SS**  trans-56128.8166.6-67-176.9-178.6178.11.4107.9V748V748-R750 PolarHBondContact O-N 3.17Å; V748-R750 VanDerWaalsContact O-N 3.07Å
751R30.4Very low42.5Very low319 Ų319135 Ų135100%1.20460%0.599SS**  trans-84.10167.7-78.2-175.3171.8-178.7-2.3109.9K749K749-R751 PolarHBondContact O-N 3.44Å

Retrieved 751 of 751 residues in 185.1 ms (Link to these results)