A0A077YWT1_TRITR Loading...

FHA domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 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
1M51.1Low81.9Confident149 Ų14957 Ų5773%0.73431%0.314SS*.  0125.70-66.9-175.7-172.300105.2M3 Y130M1-M3 PolarHBondContact O-N 2.97Å; M1-M3 VanDerWaalsContact O-N 3.13Å; M1-Y130 HydrophobicContact CE-CD1 4.02Å; M1-Y130 HydrophobicContact CE-CE1 4.33Å; M1-Y130 HydrophobicContact CE-CG 4.45Å
2D53.8Low83.1Confident132 Ų13257.1 Ų57.171%0.70632%0.319SS*.  trans-65.6110.8163.3-75.5-40000105.9G4D2-G4 PolarHBondContact O-N 2.71Å; D2-G4 VanDerWaalsContact O-N 3.16Å
3M58.9Low83.9Confident173 Ų17355.3 Ų55.385%0.85231%0.312SS*.THydrogen-bonded Turntrans-66.4113.9-177.3-69.7-94.7-90.600107.5M1M1-M3 PolarHBondContact O-N 2.97Å; M1-M3 VanDerWaalsContact O-N 3.13Å
4G77.7Confident84.2Confident52 Ų5266.1 Ų66.154%0.53636%0.359SS..THydrogen-bonded Turntrans133.9-12.3176.400000116.3D2 P132D2-G4 PolarHBondContact O-N 2.71Å; D2-G4 VanDerWaalsContact O-N 3.16Å; G4-P132 PolarHBondContact N-O 3.09Å
5E87Confident84.4Confident86 Ų8673.2 Ų73.240%0.40239%0.389SS..SBendtrans-116.4144.7178.9-65.4-176.9173.500111.9C25E5-C25 HydrophobicContact CB-CB 4.05Å; E5-C25 WeakPolarHBondContact OE2-CB 3.3Å
6A92.5Very high84.9Confident1 Ų169.7 Ų69.71%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-72.4133.9172.300000108.7C25 V26 Y64 F69 Y130 P132A6-C25 CarbonylContact O-C 3.6Å; A6-C25 WeakPolarHBondContact O-CA 3.44Å; A6-V26 HydrophobicContact CB-CB 4.45Å; A6-V26 PolarHBondContact O-N 3.33Å; A6-Y64 HydrophobicContact CB-CD1 3.64Å; A6-Y64 HydrophobicContact CB-CD2 3.91Å; A6-Y64 HydrophobicContact CB-CE1 4.17Å; A6-Y64 HydrophobicContact CB-CE2 4.44Å; A6-Y64 HydrophobicContact CB-CG 3.47Å; A6-Y64 VanDerWaalsContact CB-CG 3.47Å; A6-F69 HydrophobicContact CB-CE1 3.84Å; A6-F69 HydrophobicContact CB-CZ 3.8Å; A6-Y130 CarbonylContact C-O 3.59Å; A6-Y130 VanDerWaalsContact CA-O 3.31Å; A6-Y130 WeakPolarHBondContact CA-O 3.44Å; A6-P132 HydrophobicContact CB-CG 4.16Å
7C94.4Very high85.4Confident7 Ų769.4 Ų69.45%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-125.3139.9-177.7-56.50000112A24 C25 Y130C7-A24 WeakPolarHBondContact CA-O 3.32Å; C7-C25 HydrophobicContact CB-CB 4.2Å; C7-C25 WeakPolarHBondContact CB-SG 3.12Å; C7-C25 WeakPolarHBondContact SG-CB 3.41Å; C7-C25 CovalentContact SG-SG 2.08Å; C7-C25 PolarHBondContact SG-SG 3.46Å; C7-Y130 PolarHBondContact N-O 2.68Å; C7-Y130 PolarHBondContact O-N 3.4Å
8I96.3Very high85.8Confident3 Ų371.6 Ų71.62%0.01539%0.387CS..EExtended strand (participates in β ladder)trans-114.4137.3-179.7-57.7176000107.9R23 A24 V26 F48 V62 F69 L127 L129I8-R23 CarbonylContact O-C 3.59Å; I8-R23 WeakPolarHBondContact O-CA 3.02Å; I8-A24 PolarHBondContact N-O 3.22Å; I8-A24 PolarHBondContact O-N 3.31Å; I8-V26 HydrophobicContact CD1-CG2 3.64Å; I8-V26 HydrophobicContact CG1-CG2 3.99Å; I8-F48 HydrophobicContact CB-CE2 3.83Å; I8-F48 HydrophobicContact CB-CZ 3.63Å; I8-F48 HydrophobicContact CD1-CE2 4.42Å; I8-F48 HydrophobicContact CG2-CE2 3.7Å; I8-F48 HydrophobicContact CG2-CZ 3.5Å; I8-F48 WeakPolarHBondContact O-CZ 3.49Å; I8-V62 HydrophobicContact CD1-CB 3.88Å; I8-V62 HydrophobicContact CD1-CG2 3.61Å; I8-F69 HydrophobicContact CD1-CD1 3.89Å; I8-F69 HydrophobicContact CD1-CE1 4.23Å; I8-F69 HydrophobicContact CG1-CD1 3.83Å; I8-F69 HydrophobicContact CG1-CE1 3.73Å; I8-L127 HydrophobicContact CG2-CD2 3.83Å; I8-L129 HydrophobicContact CB-CD2 4.17Å; I8-L129 HydrophobicContact CD1-CD2 4.41Å; I8-L129 HydrophobicContact CG1-CD2 3.8Å; I8-L129 HydrophobicContact CG2-CD2 3.78Å
9I96.3Very high86.3Confident4 Ų469.1 Ų69.12%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-121.2132.8173.2-52177.7000108.6Q21 R22 R23 R128 Y130I9-Q21 VanDerWaalsContact CG2-CD 3.45Å; I9-Q21 HydrophobicContact CG2-CG 3.45Å; I9-Q21 VanDerWaalsContact CG2-CG 3.45Å; I9-R22 CarbonylContact C-O 3.55Å; I9-R22 WeakPolarHBondContact CA-O 3.49Å; I9-R23 VanDerWaalsContact CD1-NH1 3.25Å; I9-R23 VanDerWaalsContact CD1-NH2 3.29Å; I9-R23 HydrophobicContact CG1-CG 4.44Å; I9-R128 HydrophobicContact CB-CB 4.16Å; I9-R128 PolarHBondContact N-O 2.8Å; I9-R128 PolarHBondContact O-N 3.39Å; I9-Y130 HydrophobicContact CD1-CD2 4.2Å; I9-Y130 HydrophobicContact CD1-CE2 3.5Å; I9-Y130 HydrophobicContact CG1-CD2 4.43Å; I9-Y130 HydrophobicContact CG1-CE2 4.11Å
10L97Very high86.7Confident4 Ų473.3 Ų73.32%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-108.6111.5171.3-65.1177.3000109.1F19 Q21 R22 F48 F50 A125 L127L10-F19 HydrophobicContact CB-CE2 4.28Å; L10-F19 HydrophobicContact CB-CZ 4.46Å; L10-Q21 VanDerWaalsContact O-CA 3.31Å; L10-Q21 WeakPolarHBondContact O-CA 3.38Å; L10-Q21 WeakPolarHBondContact O-CG 3.44Å; L10-R22 HydrophobicContact CB-CB 4.5Å; L10-R22 PolarHBondContact N-O 3.19Å; L10-R22 PolarHBondContact O-N 3.47Å; L10-F48 HydrophobicContact CB-CE1 4.42Å; L10-F48 HydrophobicContact CD1-CB 4.27Å; L10-F48 HydrophobicContact CD1-CD1 3.45Å; L10-F48 VanDerWaalsContact CD1-CD1 3.45Å; L10-F48 HydrophobicContact CD1-CD2 4.28Å; L10-F48 HydrophobicContact CD1-CE1 3.76Å; L10-F48 HydrophobicContact CD1-CG 3.75Å; L10-F48 HydrophobicContact CD1-CZ 4.29Å; L10-F48 HydrophobicContact CG-CD1 4.04Å; L10-F48 HydrophobicContact CG-CE1 3.8Å; L10-F48 HydrophobicContact CG-CZ 4.18Å; L10-F50 HydrophobicContact CD1-CE2 4.3Å; L10-F50 HydrophobicContact CD1-CZ 3.76Å; L10-A125 HydrophobicContact CB-CB 4.04Å; L10-A125 HydrophobicContact CD2-CB 3.95Å; L10-A125 HydrophobicContact CG-CB 4.5Å; L10-L127 HydrophobicContact CD2-CD2 3.37Å; L10-L127 HydrophobicContact CD2-CG 4.25Å
11S95.9Very high87.1Confident16 Ų1674 Ų7411%0.11239%0.39CS..EExtended strand (participates in β ladder)trans-98.6130.9173.2-62.80000110Q21 A125 M126 R128S11-Q21 PolarHBondContact OG-OE1 3.08Å; S11-A125 CarbonylContact O-C 3.53Å; S11-A125 VanDerWaalsContact O-CA 3.23Å; S11-A125 WeakPolarHBondContact O-CA 3.41Å; S11-M126 PolarHBondContact N-O 3.19Å; S11-M126 PolarHBondContact O-N 3.22Å; S11-R128 PolarHBondContact OG-NH2 3.45Å
12P96Very high89.3Confident58 Ų5868.6 Ų68.638%0.37736%0.362SS..EExtended strand (participates in β ladder)trans-65137.2-179.329.3-38.4000112.2F19P12-F19 VanDerWaalsContact CA-CZ 3.44Å; P12-F19 HydrophobicContact CB-CD1 3.88Å; P12-F19 HydrophobicContact CB-CE1 3.54Å; P12-F19 HydrophobicContact CB-CE2 4.24Å; P12-F19 HydrophobicContact CB-CG 4.37Å; P12-F19 HydrophobicContact CB-CZ 3.72Å; P12-F19 HydrophobicContact CG-CZ 4.49Å; P12-F19 VanDerWaalsContact CG-O 3.29Å; P12-F19 WeakPolarHBondContact CG-O 3.42Å
13C93.4Very high91.2Very high34 Ų3467.1 Ų67.123%0.2335%0.346CS..PPolyproline II helixtrans-86.8160.5168.2-60.80000111Q15 S16 V124C13-Q15 PolarHBondContact O-N 3.21Å; C13-S16 WeakPolarHBondContact O-CB 3.37Å; C13-S16 PolarHBondContact O-N 3.05Å; C13-V124 HydrophobicContact CB-CB 4.16Å; C13-V124 HydrophobicContact CB-CG1 3.83Å; C13-V124 PolarHBondContact N-O 2.96Å; C13-V124 VanDerWaalsContact N-O 3.09Å
14Q88.6Confident92.9Very high206 Ų20659.1 Ų59.196%0.96331%0.308SS*.THydrogen-bonded Turntrans-58.6-31.6-177.4-68.4-175.4-3.600113.9S16Q14-S16 VanDerWaalsContact C-N 3.3Å
15Q87.8Confident93.7Very high173 Ų17358.9 Ų58.981%0.80830%0.297SS*.THydrogen-bonded Turntrans-872.6-178.9-63.1168.2-13.100113.3C13C13-Q15 PolarHBondContact O-N 3.21Å
16S92.3Very high93.9Very high17 Ų1755 Ų5512%0.11928%0.279CS..SBendtrans-82.5149.7-174.1-164.40000112.5C13 Q14 F19 V124C13-S16 WeakPolarHBondContact O-CB 3.37Å; C13-S16 PolarHBondContact O-N 3.05Å; Q14-S16 VanDerWaalsContact C-N 3.3Å; S16-F19 WeakPolarHBondContact OG-CE1 3.45Å; S16-V124 WeakPolarHBondContact CB-O 3.43Å; S16-V124 PolarHBondContact OG-N 3.29Å; S16-V124 PolarHBondContact OG-O 3.15Å
17H92.9Very high93.6Very high64 Ų6456.6 Ų56.630%0.29629%0.293SS..PPolyproline II helixtrans-54.7128.6160.718074.2000109.4F19 D51 C122 I123H17-F19 WeakPolarHBondContact O-CD1 3.23Å; H17-F19 PolarHBondContact O-N 3.44Å; H17-D51 PolarHBondContact NE2-O 3.35Å; H17-C122 WeakPolarHBondContact CB-O 3.42Å; H17-C122 PolarHBondContact N-O 3.02Å; H17-I123 HydrophobicContact CB-CD1 3.9Å
18P92.7Very high93Very high110 Ų11060.6 Ų60.671%0.71433%0.326SS*.PPolyproline II helixtrans-56.1125.4-169.4-27.934.9000113.3
19F94.6Very high92.4Very high23 Ų2368.3 Ų68.310%0.10137%0.367CS..  trans-150.1149.6170.376.3-88.6000110L10 P12 S16 H17 R22 F50 I123 A125L10-F19 HydrophobicContact CB-CE2 4.28Å; L10-F19 HydrophobicContact CB-CZ 4.46Å; P12-F19 VanDerWaalsContact CA-CZ 3.44Å; P12-F19 HydrophobicContact CB-CD1 3.88Å; P12-F19 HydrophobicContact CB-CE1 3.54Å; P12-F19 HydrophobicContact CB-CE2 4.24Å; P12-F19 HydrophobicContact CB-CG 4.37Å; P12-F19 HydrophobicContact CB-CZ 3.72Å; P12-F19 HydrophobicContact CG-CZ 4.49Å; P12-F19 VanDerWaalsContact CG-O 3.29Å; P12-F19 WeakPolarHBondContact CG-O 3.42Å; S16-F19 WeakPolarHBondContact OG-CE1 3.45Å; H17-F19 WeakPolarHBondContact O-CD1 3.23Å; H17-F19 PolarHBondContact O-N 3.44Å; F19-R22 HydrophobicContact CD2-CG 4.1Å; F19-R22 HydrophobicContact CE2-CG 4.33Å; F19-F50 HydrophobicContact CB-CD1 4.12Å; F19-F50 HydrophobicContact CB-CE1 4.3Å; F19-F50 HydrophobicContact CD1-CE1 4.26Å; F19-F50 HydrophobicContact CD2-CD1 4.18Å; F19-F50 AromaticContact CD2-CE1 3.51Å; F19-F50 HydrophobicContact CD2-CE1 3.51Å; F19-F50 HydrophobicContact CE1-CE1 4.49Å; F19-F50 AromaticContact CE2-CE1 3.83Å; F19-F50 HydrophobicContact CE2-CE1 3.83Å; F19-F50 HydrophobicContact CE2-CZ 4.48Å; F19-F50 HydrophobicContact CG-CD1 4.05Å; F19-F50 AromaticContact CG-CE1 3.78Å; F19-F50 HydrophobicContact CG-CE1 3.78Å; F19-F50 HydrophobicContact CZ-CE1 4.32Å; F19-I123 HydrophobicContact CD1-CD1 3.88Å; F19-I123 HydrophobicContact CD1-CG2 4.2Å; F19-I123 HydrophobicContact CE1-CG2 3.83Å; F19-I123 HydrophobicContact CZ-CG2 4.47Å; F19-A125 HydrophobicContact CE1-CB 4.25Å; F19-A125 HydrophobicContact CZ-CB 3.71Å
20E94.6Very high92.1Very high154 Ų15473.2 Ų73.272%0.7239%0.394SS*.PPolyproline II helixtrans-79.5148.7172-66.8-177.4174.300110.9R22E20-R22 WeakPolarHBondContact O-CG 3.19Å; E20-R22 PolarHBondContact O-N 2.69Å; E20-R22 VanDerWaalsContact O-N 3.17Å; E20-R22 PolarHBondContact O-NE 2.93Å
21Q96.2Very high92Very high89 Ų8975.4 Ų75.442%0.41641%0.408SS..PPolyproline II helixtrans-47.2124.5179.2-176.9-178.6-82.900111.8I9 L10 S11I9-Q21 VanDerWaalsContact CG2-CD 3.45Å; I9-Q21 HydrophobicContact CG2-CG 3.45Å; I9-Q21 VanDerWaalsContact CG2-CG 3.45Å; L10-Q21 VanDerWaalsContact O-CA 3.31Å; L10-Q21 WeakPolarHBondContact O-CA 3.38Å; L10-Q21 WeakPolarHBondContact O-CG 3.44Å; S11-Q21 PolarHBondContact OG-OE1 3.08Å
22R96Very high92Very high34 Ų3475.9 Ų75.913%0.12841%0.41CS..EExtended strand (participates in β ladder)trans-103.4148.3179.2-56.1-64.4177.4167.8-5.8110.2I9 L10 F19 E20 A44 N47 F48 F50I9-R22 CarbonylContact C-O 3.55Å; I9-R22 WeakPolarHBondContact CA-O 3.49Å; L10-R22 HydrophobicContact CB-CB 4.5Å; L10-R22 PolarHBondContact N-O 3.19Å; L10-R22 PolarHBondContact O-N 3.47Å; F19-R22 HydrophobicContact CD2-CG 4.1Å; F19-R22 HydrophobicContact CE2-CG 4.33Å; E20-R22 WeakPolarHBondContact O-CG 3.19Å; E20-R22 PolarHBondContact O-N 2.69Å; E20-R22 VanDerWaalsContact O-N 3.17Å; E20-R22 PolarHBondContact O-NE 2.93Å; R22-A44 WeakPolarHBondContact CD-O 3.05Å; R22-A44 PolarHBondContact NH1-O 2.97Å; R22-N47 WeakPolarHBondContact CB-O 3.32Å; R22-F48 HydrophobicContact CB-CD1 3.85Å; R22-F48 HydrophobicContact CB-CE1 4Å; R22-F50 HydrophobicContact CG-CE1 3.91Å; R22-F50 HydrophobicContact CG-CZ 4.23Å
23R94.5Very high92Very high101 Ų10179.3 Ų79.338%0.38142%0.419SS..EExtended strand (participates in β ladder)trans-130.9137.8174.3175.6-173-58.9-78.5-2.4108.6I8 I9 P45 D46I8-R23 CarbonylContact O-C 3.59Å; I8-R23 WeakPolarHBondContact O-CA 3.02Å; I9-R23 VanDerWaalsContact CD1-NH1 3.25Å; I9-R23 VanDerWaalsContact CD1-NH2 3.29Å; I9-R23 HydrophobicContact CG1-CG 4.44Å; R23-P45 PolarHBondContact N-O 3.37Å; R23-D46 CarbonylContact O-C 3.5Å; R23-D46 WeakPolarHBondContact O-CA 3.42Å; R23-D46 VanDerWaalsContact O-O 3.11Å
24A94.7Very high92.2Very high6 Ų677.9 Ų77.95%0.0541%0.409CS..EExtended strand (participates in β ladder)trans-138.5141166.100000108.7C7 I8 V32 F48C7-A24 WeakPolarHBondContact CA-O 3.32Å; I8-A24 PolarHBondContact N-O 3.22Å; I8-A24 PolarHBondContact O-N 3.31Å; A24-V32 HydrophobicContact CB-CG1 3.88Å; A24-V32 HydrophobicContact CB-CG2 4.36Å; A24-F48 HydrophobicContact CB-CD1 4.34Å; A24-F48 HydrophobicContact CB-CD2 4.17Å; A24-F48 HydrophobicContact CB-CE1 3.91Å; A24-F48 HydrophobicContact CB-CE2 3.71Å; A24-F48 HydrophobicContact CB-CG 4.47Å; A24-F48 HydrophobicContact CB-CZ 3.56Å
25C93.2Very high92.5Very high47 Ų4768.1 Ų68.132%0.31836%0.364SS..EExtended strand (participates in β ladder)trans-95.6140.6168.7-60.60000108.9E5 A6 C7E5-C25 HydrophobicContact CB-CB 4.05Å; E5-C25 WeakPolarHBondContact OE2-CB 3.3Å; A6-C25 CarbonylContact O-C 3.6Å; A6-C25 WeakPolarHBondContact O-CA 3.44Å; C7-C25 HydrophobicContact CB-CB 4.2Å; C7-C25 WeakPolarHBondContact CB-SG 3.12Å; C7-C25 WeakPolarHBondContact SG-CB 3.41Å; C7-C25 CovalentContact SG-SG 2.08Å; C7-C25 PolarHBondContact SG-SG 3.46Å
26V91.7Very high92.9Very high4 Ų464.1 Ų64.12%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-103.3108.2-175-175.10000106.1A6 I8 V32 W63A6-V26 HydrophobicContact CB-CB 4.45Å; A6-V26 PolarHBondContact O-N 3.33Å; I8-V26 HydrophobicContact CD1-CG2 3.64Å; I8-V26 HydrophobicContact CG1-CG2 3.99Å; V26-V32 HydrophobicContact CB-CG2 4.41Å; V26-V32 HydrophobicContact CG2-CG2 3.87Å; V26-W63 HydrophobicContact CG1-CB 4.47Å
27A87.2Confident93.1Very high35 Ų3564.1 Ų64.129%0.28934%0.343SS..  trans-74.3156171.300000110.1D29 D30A27-D29 PolarHBondContact O-N 3.29Å; A27-D30 HydrophobicContact CB-CB 4.27Å; A27-D30 PolarHBondContact O-N 3.47Å
28A81.7Confident93.1Very high90 Ų9063.5 Ų63.574%0.74434%0.343SS*.THydrogen-bonded Turntrans-58.1132.9174.100000110.2D30A28-D30 PolarHBondContact O-N 2.89Å; A28-D30 VanDerWaalsContact O-N 3.14Å
29D82.9Confident93Very high165 Ų16563 Ų6388%0.88235%0.348SS*.THydrogen-bonded Turntrans60.511.9-178.9-56.4-38.5000116.6A27 P31A27-D29 PolarHBondContact O-N 3.29Å; D29-P31 WeakPolarHBondContact O-CD 3.19Å
30D90.3Very high92.8Very high108 Ų10871.5 Ų71.558%0.57839%0.385SS*.  trans-119.592.7174.8-167.724.3000112A27 A28 V32A27-D30 HydrophobicContact CB-CB 4.27Å; A27-D30 PolarHBondContact O-N 3.47Å; A28-D30 PolarHBondContact O-N 2.89Å; A28-D30 VanDerWaalsContact O-N 3.14Å; D30-V32 PolarHBondContact O-N 2.97Å
31P94.2Very high92.7Very high50 Ų5067.5 Ų67.533%0.32537%0.371SS..PPolyproline II helixtrans-64.1129.2177.9-22.833.8000112.7D29 K33 V61 V62 W63D29-P31 WeakPolarHBondContact O-CD 3.19Å; P31-K33 PolarHBondContact O-N 3.36Å; P31-V61 HydrophobicContact CB-CB 4.44Å; P31-V62 CarbonylContact C-O 3.53Å; P31-W63 HydrophobicContact CB-CB 4.07Å; P31-W63 HydrophobicContact CG-CB 4.28Å
32V95.9Very high92.6Very high26 Ų2668.8 Ų68.816%0.15838%0.377CS..EExtended strand (participates in β ladder)trans-76.6125.4175.8179.50000109.7A24 V26 D30 F48 V61 V62A24-V32 HydrophobicContact CB-CG1 3.88Å; A24-V32 HydrophobicContact CB-CG2 4.36Å; V26-V32 HydrophobicContact CB-CG2 4.41Å; V26-V32 HydrophobicContact CG2-CG2 3.87Å; D30-V32 PolarHBondContact O-N 2.97Å; V32-F48 HydrophobicContact CB-CD2 4.47Å; V32-F48 HydrophobicContact CG1-CD2 3.53Å; V32-F48 HydrophobicContact CG1-CE2 4Å; V32-F48 HydrophobicContact CG1-CG 4.27Å; V32-V61 WeakPolarHBondContact O-CA 3.45Å; V32-V62 HydrophobicContact CB-CG2 3.91Å; V32-V62 HydrophobicContact CG1-CG2 4.39Å; V32-V62 PolarHBondContact N-O 3.46Å; V32-V62 PolarHBondContact O-N 3.17Å
33K96.4Very high92.5Very high130 Ų13068.9 Ų68.957%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-83.8134.2-179.9-68.4171-175.6165.20111P31 V61P31-K33 PolarHBondContact O-N 3.36Å; K33-V61 HydrophobicContact CG-CG1 4.08Å
34I97.2Very high92.5Very high4 Ų465.3 Ų65.32%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-106.7127.1170.7-53.4-172.9000108.4F48 F50 H59 A60 V62 I71 L107I34-F48 WeakPolarHBondContact CA-O 3.36Å; I34-F48 HydrophobicContact CB-CB 4.3Å; I34-F48 HydrophobicContact CD1-CD2 4.3Å; I34-F48 HydrophobicContact CG1-CB 3.78Å; I34-F48 HydrophobicContact CG1-CD2 4.01Å; I34-F48 HydrophobicContact CG1-CG 4.32Å; I34-F48 HydrophobicContact CG2-CB 4.38Å; I34-F50 HydrophobicContact CG2-CE2 4.1Å; I34-H59 PolarHBondContact O-N 3.38Å; I34-A60 WeakPolarHBondContact CA-O 3.38Å; I34-A60 HydrophobicContact CB-CB 4.21Å; I34-A60 PolarHBondContact N-O 2.88Å; I34-A60 PolarHBondContact O-N 3.31Å; I34-A60 VanDerWaalsContact O-N 3.13Å; I34-A60 VanDerWaalsContact O-O 3.09Å; I34-V62 HydrophobicContact CD1-CG1 3.64Å; I34-V62 HydrophobicContact CD1-CG2 4.19Å; I34-V62 HydrophobicContact CG1-CG1 4.45Å; I34-V62 HydrophobicContact CG1-CG2 4.34Å; I34-I71 HydrophobicContact CD1-CD1 4.49Å; I34-L107 HydrophobicContact CG2-CD1 3.44Å; I34-L107 VanDerWaalsContact CG2-CD1 3.44Å; I34-L107 HydrophobicContact CG2-CD2 4.23Å; I34-L107 HydrophobicContact CG2-CG 4.5Å
35G96.6Very high92.5Very high0 Ų069.2 Ų69.20%040%0.402CS..EExtended strand (participates in β ladder)trans178.7-166.5-179.500000115.1F48 I49 F50 S56G35-F48 PolarHBondContact N-O 3.13Å; G35-F48 VanDerWaalsContact N-O 3.11Å; G35-I49 CarbonylContact O-C 3.54Å; G35-I49 WeakPolarHBondContact O-CA 3.48Å; G35-F50 PolarHBondContact O-N 2.84Å; G35-S56 CarbonylContact C-O 3.49Å; G35-S56 WeakPolarHBondContact CA-O 3.46Å
36R95.4Very high92.6Very high89 Ų8972.3 Ų72.334%0.33642%0.416SS..EExtended strand (participates in β ladder)trans-89.7139.3-176.9-167.5176.670179.93.4112.6F50 C52 L55 S56R36-F50 CarbonylContact C-O 3.5Å; R36-F50 VanDerWaalsContact CA-O 3.31Å; R36-F50 WeakPolarHBondContact CA-O 3.5Å; R36-C52 WeakPolarHBondContact CD-O 3.08Å; R36-C52 VanDerWaalsContact CG-O 3.26Å; R36-C52 WeakPolarHBondContact CG-O 3.27Å; R36-L55 HydrophobicContact CB-CB 4.06Å; R36-S56 PolarHBondContact N-O 3.05Å
37A95.6Very high92.8Very high18 Ų1873.8 Ų73.815%0.14942%0.423CS..  trans-54.9138.4171.400000112.1V41 A43 I49 F50A37-V41 WeakPolarHBondContact CA-O 3.43Å; A37-A43 HydrophobicContact CB-CB 4.5Å; A37-I49 VanDerWaalsContact CA-CG2 3.43Å; A37-I49 HydrophobicContact CB-CG2 3.96Å; A37-F50 PolarHBondContact N-O 3.26Å
38V93.9Very high93.2Very high50 Ų5072.1 Ų72.130%0.30341%0.409SS..BIsolated β-bridgetrans-140.5164.4176.3-67.20000109K40 V41 Q42 R57V38-K40 HydrophobicContact CG2-CB 4.42Å; V38-K40 PolarHBondContact O-N 3.48Å; V38-V41 HydrophobicContact CG2-CB 4.22Å; V38-V41 PolarHBondContact N-O 2.84Å; V38-V41 CarbonylContact O-C 3.23Å; V38-V41 VanDerWaalsContact O-C 3.23Å; V38-V41 PolarHBondContact O-N 2.95Å; V38-Q42 PolarHBondContact O-NE2 2.88Å; V38-Q42 VanDerWaalsContact O-NE2 3.09Å; V38-R57 HydrophobicContact CG1-CG 3.83Å
39A89.8Confident93.9Very high100 Ų10068.5 Ų68.583%0.82638%0.378SS*.THydrogen-bonded Turntrans-48.8-34.5-17900000114.3
40K91.9Very high94.6Very high201 Ų20160.8 Ų60.887%0.87434%0.336SS*.THydrogen-bonded Turntrans-80.4-28179.2-65.1-174.1178.3-175.20114.8V38V38-K40 HydrophobicContact CG2-CB 4.42Å; V38-K40 PolarHBondContact O-N 3.48Å
41V92.5Very high94.7Very high70 Ų7061.8 Ų61.842%0.42434%0.342SS..BIsolated β-bridgetrans-139.8107.9-173.4-170.30000108A37 V38 I49A37-V41 WeakPolarHBondContact CA-O 3.43Å; V38-V41 HydrophobicContact CG2-CB 4.22Å; V38-V41 PolarHBondContact N-O 2.84Å; V38-V41 CarbonylContact O-C 3.23Å; V38-V41 VanDerWaalsContact O-C 3.23Å; V38-V41 PolarHBondContact O-N 2.95Å; V41-I49 HydrophobicContact CG1-CD1 4.35Å; V41-I49 HydrophobicContact CG1-CG1 3.78Å; V41-I49 HydrophobicContact CG1-CG2 4.4Å
42Q94.2Very high94.7Very high116 Ų11659.5 Ų59.554%0.54233%0.327SS..  trans-93.5158.1-176.9-63.4-62-28.500111.3V38 A44 N47V38-Q42 PolarHBondContact O-NE2 2.88Å; V38-Q42 VanDerWaalsContact O-NE2 3.09Å; Q42-A44 PolarHBondContact O-N 3.28Å; Q42-N47 PolarHBondContact O-ND2 2.86Å
43A93.8Very high94.5Very high37 Ų3765.4 Ų65.431%0.30635%0.35SS..  trans-67.7126.3173.100000110.3A37 I49A37-A43 HydrophobicContact CB-CB 4.5Å; A43-I49 VanDerWaalsContact CA-O 3.25Å; A43-I49 WeakPolarHBondContact CA-O 2.92Å; A43-I49 WeakPolarHBondContact CB-O 3.39Å
44A94.5Very high94.3Very high25 Ų2559.5 Ų59.521%0.20733%0.325CS..  trans-142.5151.9-178.100000110.2R22 Q42 D46 N47R22-A44 WeakPolarHBondContact CD-O 3.05Å; R22-A44 PolarHBondContact NH1-O 2.97Å; Q42-A44 PolarHBondContact O-N 3.28Å; A44-D46 WeakPolarHBondContact CB-OD1 3.37Å; A44-D46 PolarHBondContact O-N 2.89Å; A44-N47 PolarHBondContact N-OD1 3.48Å; A44-N47 VanDerWaalsContact N-OD1 3.11Å; A44-N47 PolarHBondContact O-N 3.47Å; A44-N47 PolarHBondContact O-OD1 3.34Å; A44-N47 VanDerWaalsContact O-OD1 3.12Å
45P94.4Very high94.2Very high88 Ų8859.5 Ų59.557%0.57133%0.325SS*.THydrogen-bonded Turntrans-64.3-19.4-173.125.7-34.5000113.2R23R23-P45 PolarHBondContact N-O 3.37Å
46D94.7Very high94.1Very high113 Ų11360.8 Ų60.860%0.60433%0.334SS*.THydrogen-bonded Turntrans-95.58.3-179.163.2-22.8000114R23 A44R23-D46 CarbonylContact O-C 3.5Å; R23-D46 WeakPolarHBondContact O-CA 3.42Å; R23-D46 VanDerWaalsContact O-O 3.11Å; A44-D46 WeakPolarHBondContact CB-OD1 3.37Å; A44-D46 PolarHBondContact O-N 2.89Å
47N95.2Very high94Very high34 Ų3465.1 Ų65.118%0.18235%0.35CS..SBendtrans-139.1170.517873.830000112.9R22 Q42 A44 I49R22-N47 WeakPolarHBondContact CB-O 3.32Å; Q42-N47 PolarHBondContact O-ND2 2.86Å; A44-N47 PolarHBondContact N-OD1 3.48Å; A44-N47 VanDerWaalsContact N-OD1 3.11Å; A44-N47 PolarHBondContact O-N 3.47Å; A44-N47 PolarHBondContact O-OD1 3.34Å; A44-N47 VanDerWaalsContact O-OD1 3.12Å; N47-I49 HydrophobicContact CB-CG1 4.42Å; N47-I49 WeakPolarHBondContact OD1-CB 3.44Å; N47-I49 PolarHBondContact OD1-N 2.92Å
48F96.7Very high94Very high0 Ų067.5 Ų67.50%036%0.363CS..EExtended strand (participates in β ladder)trans-104.238.9177.1-57.9-31.6000112.6I8 L10 R22 A24 V32 I34 G35 F50 V62I8-F48 HydrophobicContact CB-CE2 3.83Å; I8-F48 HydrophobicContact CB-CZ 3.63Å; I8-F48 HydrophobicContact CD1-CE2 4.42Å; I8-F48 HydrophobicContact CG2-CE2 3.7Å; I8-F48 HydrophobicContact CG2-CZ 3.5Å; I8-F48 WeakPolarHBondContact O-CZ 3.49Å; L10-F48 HydrophobicContact CB-CE1 4.42Å; L10-F48 HydrophobicContact CD1-CB 4.27Å; L10-F48 HydrophobicContact CD1-CD1 3.45Å; L10-F48 VanDerWaalsContact CD1-CD1 3.45Å; L10-F48 HydrophobicContact CD1-CD2 4.28Å; L10-F48 HydrophobicContact CD1-CE1 3.76Å; L10-F48 HydrophobicContact CD1-CG 3.75Å; L10-F48 HydrophobicContact CD1-CZ 4.29Å; L10-F48 HydrophobicContact CG-CD1 4.04Å; L10-F48 HydrophobicContact CG-CE1 3.8Å; L10-F48 HydrophobicContact CG-CZ 4.18Å; R22-F48 HydrophobicContact CB-CD1 3.85Å; R22-F48 HydrophobicContact CB-CE1 4Å; A24-F48 HydrophobicContact CB-CD1 4.34Å; A24-F48 HydrophobicContact CB-CD2 4.17Å; A24-F48 HydrophobicContact CB-CE1 3.91Å; A24-F48 HydrophobicContact CB-CE2 3.71Å; A24-F48 HydrophobicContact CB-CG 4.47Å; A24-F48 HydrophobicContact CB-CZ 3.56Å; V32-F48 HydrophobicContact CB-CD2 4.47Å; V32-F48 HydrophobicContact CG1-CD2 3.53Å; V32-F48 HydrophobicContact CG1-CE2 4Å; V32-F48 HydrophobicContact CG1-CG 4.27Å; I34-F48 WeakPolarHBondContact CA-O 3.36Å; I34-F48 HydrophobicContact CB-CB 4.3Å; I34-F48 HydrophobicContact CD1-CD2 4.3Å; I34-F48 HydrophobicContact CG1-CB 3.78Å; I34-F48 HydrophobicContact CG1-CD2 4.01Å; I34-F48 HydrophobicContact CG1-CG 4.32Å; I34-F48 HydrophobicContact CG2-CB 4.38Å; G35-F48 PolarHBondContact N-O 3.13Å; G35-F48 VanDerWaalsContact N-O 3.11Å; F48-F50 HydrophobicContact CB-CE2 4.17Å; F48-F50 WeakPolarHBondContact O-CD2 3.25Å; F48-F50 VanDerWaalsContact O-CE2 3.25Å; F48-F50 WeakPolarHBondContact O-CE2 3.46Å; F48-V62 HydrophobicContact CD2-CG2 3.95Å; F48-V62 HydrophobicContact CE2-CG2 3.91Å
49I97.1Very high94Very high15 Ų1565.1 Ų65.18%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-102.5124.6175.5-54.5-60.7000108.5G35 A37 V41 A43 N47G35-I49 CarbonylContact O-C 3.54Å; G35-I49 WeakPolarHBondContact O-CA 3.48Å; A37-I49 VanDerWaalsContact CA-CG2 3.43Å; A37-I49 HydrophobicContact CB-CG2 3.96Å; V41-I49 HydrophobicContact CG1-CD1 4.35Å; V41-I49 HydrophobicContact CG1-CG1 3.78Å; V41-I49 HydrophobicContact CG1-CG2 4.4Å; A43-I49 VanDerWaalsContact CA-O 3.25Å; A43-I49 WeakPolarHBondContact CA-O 2.92Å; A43-I49 WeakPolarHBondContact CB-O 3.39Å; N47-I49 HydrophobicContact CB-CG1 4.42Å; N47-I49 WeakPolarHBondContact OD1-CB 3.44Å; N47-I49 PolarHBondContact OD1-N 2.92Å
50F96.2Very high94.4Very high2 Ų260.3 Ų60.31%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-117.6145.1-173.4-58-90.7000111.3L10 F19 R22 I34 G35 R36 A37 F48 C52 L55 L107 I123L10-F50 HydrophobicContact CD1-CE2 4.3Å; L10-F50 HydrophobicContact CD1-CZ 3.76Å; F19-F50 HydrophobicContact CB-CD1 4.12Å; F19-F50 HydrophobicContact CB-CE1 4.3Å; F19-F50 HydrophobicContact CD1-CE1 4.26Å; F19-F50 HydrophobicContact CD2-CD1 4.18Å; F19-F50 AromaticContact CD2-CE1 3.51Å; F19-F50 HydrophobicContact CD2-CE1 3.51Å; F19-F50 HydrophobicContact CE1-CE1 4.49Å; F19-F50 AromaticContact CE2-CE1 3.83Å; F19-F50 HydrophobicContact CE2-CE1 3.83Å; F19-F50 HydrophobicContact CE2-CZ 4.48Å; F19-F50 HydrophobicContact CG-CD1 4.05Å; F19-F50 AromaticContact CG-CE1 3.78Å; F19-F50 HydrophobicContact CG-CE1 3.78Å; F19-F50 HydrophobicContact CZ-CE1 4.32Å; R22-F50 HydrophobicContact CG-CE1 3.91Å; R22-F50 HydrophobicContact CG-CZ 4.23Å; I34-F50 HydrophobicContact CG2-CE2 4.1Å; G35-F50 PolarHBondContact O-N 2.84Å; R36-F50 CarbonylContact C-O 3.5Å; R36-F50 VanDerWaalsContact CA-O 3.31Å; R36-F50 WeakPolarHBondContact CA-O 3.5Å; A37-F50 PolarHBondContact N-O 3.26Å; F48-F50 HydrophobicContact CB-CE2 4.17Å; F48-F50 WeakPolarHBondContact O-CD2 3.25Å; F48-F50 VanDerWaalsContact O-CE2 3.25Å; F48-F50 WeakPolarHBondContact O-CE2 3.46Å; F50-C52 HydrophobicContact CB-CB 4.18Å; F50-C52 PolarHBondContact O-N 3.05Å; F50-L55 HydrophobicContact CB-CD1 3.93Å; F50-L55 HydrophobicContact CD2-CD1 3.84Å; F50-L55 HydrophobicContact CG-CD1 4.21Å; F50-L107 HydrophobicContact CE2-CD1 4.47Å; F50-I123 HydrophobicContact CB-CD1 4.33Å; F50-I123 HydrophobicContact CB-CG1 4.41Å; F50-I123 HydrophobicContact CD1-CD1 3.94Å; F50-I123 HydrophobicContact CD1-CG1 4.39Å; F50-I123 HydrophobicContact CD1-CG2 4.5Å; F50-I123 HydrophobicContact CE1-CG2 4.26Å; F50-I123 HydrophobicContact CG-CD1 4.22Å; F50-I123 HydrophobicContact CG-CG1 4.26Å; F50-I123 HydrophobicContact CZ-CG2 4.32Å
51D94Very high94.6Very high130 Ų13051.3 Ų51.370%0.69527%0.271SS*.  trans-81.665.9166.3-170.118.9000110.4H17H17-D51 PolarHBondContact NE2-O 3.35Å
52C93.4Very high94.8Very high2 Ų248.2 Ų48.21%0.01425%0.252CS..  trans-127.2119.6-178.3178.30000110.8R36 F50 V54 L55 G121 I123R36-C52 WeakPolarHBondContact CD-O 3.08Å; R36-C52 VanDerWaalsContact CG-O 3.26Å; R36-C52 WeakPolarHBondContact CG-O 3.27Å; F50-C52 HydrophobicContact CB-CB 4.18Å; F50-C52 PolarHBondContact O-N 3.05Å; C52-V54 VanDerWaalsContact C-N 3.28Å; C52-V54 PolarHBondContact O-N 2.97Å; C52-L55 HydrophobicContact CB-CD1 4.18Å; C52-L55 HydrophobicContact CB-CG 3.97Å; C52-L55 PolarHBondContact O-N 3.34Å; C52-G121 PolarHBondContact SG-O 3.06Å; C52-I123 HydrophobicContact CB-CD1 4.06Å; C52-I123 HydrophobicContact CB-CG1 3.89Å
53K91.3Very high94.9Very high150 Ų15044 Ų4465%0.65223%0.231SC*.THydrogen-bonded Turntrans-65.3-28.6-176.8-71.5-175.2179.9178.10114.1L55K53-L55 PolarHBondContact O-N 3.03Å
54V92.7Very high94.9Very high5 Ų545.1 Ų45.13%0.0323%0.228CC..THydrogen-bonded Turntrans-68-23.8179.7-179.40000111.4C52 N78 V109 I111 H120 G121 C122C52-V54 VanDerWaalsContact C-N 3.28Å; C52-V54 PolarHBondContact O-N 2.97Å; V54-N78 HydrophobicContact CG1-CB 4.32Å; V54-N78 WeakPolarHBondContact CG1-ND2 3.26Å; V54-N78 PolarHBondContact O-ND2 3.43Å; V54-V109 WeakPolarHBondContact CG1-O 3.44Å; V54-I111 HydrophobicContact CG2-CD1 4.48Å; V54-H120 HydrophobicContact CG2-CB 3.79Å; V54-H120 WeakPolarHBondContact CG2-O 2.96Å; V54-G121 WeakPolarHBondContact CG2-O 3.42Å; V54-C122 HydrophobicContact CG1-CB 4.23Å
55L94.7Very high94.8Very high4 Ų448.7 Ų48.72%0.02124%0.24CC..SBendtrans-80.9147.8-179.7-60-169.8000113R36 F50 C52 K53 L107 I123R36-L55 HydrophobicContact CB-CB 4.06Å; F50-L55 HydrophobicContact CB-CD1 3.93Å; F50-L55 HydrophobicContact CD2-CD1 3.84Å; F50-L55 HydrophobicContact CG-CD1 4.21Å; C52-L55 HydrophobicContact CB-CD1 4.18Å; C52-L55 HydrophobicContact CB-CG 3.97Å; C52-L55 PolarHBondContact O-N 3.34Å; K53-L55 PolarHBondContact O-N 3.03Å; L55-L107 HydrophobicContact CD2-CB 3.38Å; L55-L107 HydrophobicContact CD2-CD1 4.46Å; L55-L107 WeakPolarHBondContact CD2-O 3.36Å; L55-I123 HydrophobicContact CD1-CG1 4.02Å; L55-I123 HydrophobicContact CG-CG1 4.35Å
56S94.8Very high94.6Very high27 Ų2752.1 Ų52.119%0.18925%0.254CS..  trans-75.1157.4165.6-68.10000109.5G35 R36 T58 H59G35-S56 CarbonylContact C-O 3.49Å; G35-S56 WeakPolarHBondContact CA-O 3.46Å; R36-S56 PolarHBondContact N-O 3.05Å; S56-T58 WeakPolarHBondContact CB-O 3.3Å; S56-T58 PolarHBondContact O-N 3.24Å; S56-H59 PolarHBondContact N-ND1 3.44Å
57R93.9Very high94.3Very high181 Ų18148.4 Ų48.468%0.68324%0.242SC*.SBendtrans-56.5-40.1174.6-67.7176.7-72.7-178-2.1112.1V38V38-R57 HydrophobicContact CG1-CG 3.83Å
58T94.1Very high94.1Very high67 Ų6748 Ų4841%0.41124%0.242SC..SBendtrans-126.3100.9167.7-48.70000104.7S56 T74S56-T58 WeakPolarHBondContact CB-O 3.3Å; S56-T58 PolarHBondContact O-N 3.24Å; T58-T74 HydrophobicContact CG2-CG2 4.42Å; T58-T74 PolarHBondContact O-OG1 3.07Å
59H95.1Very high94Very high0 Ų048.1 Ų48.10%024%0.242CC..  trans-98.1-47.5-172.7-171.6104.4000110.4I34 S56 T74 S76 G79 T80I34-H59 PolarHBondContact O-N 3.38Å; S56-H59 PolarHBondContact N-ND1 3.44Å; H59-T74 PolarHBondContact O-N 3.18Å; H59-T74 PolarHBondContact O-OG1 3.02Å; H59-T74 VanDerWaalsContact O-OG1 3.07Å; H59-S76 WeakPolarHBondContact CE1-CB 3.39Å; H59-S76 PolarHBondContact CE1-OG 3.03Å; H59-S76 VanDerWaalsContact ND1-CB 3.31Å; H59-S76 WeakPolarHBondContact ND1-CB 3.05Å; H59-S76 PolarHBondContact NE2-OG 3.37Å; H59-G79 PolarHBondContact NE2-O 3.38Å; H59-T80 PolarHBondContact CD2-OG1 2.97Å; H59-T80 VanDerWaalsContact CD2-OG1 3.3Å; H59-T80 PolarHBondContact NE2-OG1 3.1Å
60A97.1Very high94Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-144.8168.1175.400000110I34 I71 R72 L107I34-A60 WeakPolarHBondContact CA-O 3.38Å; I34-A60 HydrophobicContact CB-CB 4.21Å; I34-A60 PolarHBondContact N-O 2.88Å; I34-A60 PolarHBondContact O-N 3.31Å; I34-A60 VanDerWaalsContact O-N 3.13Å; I34-A60 VanDerWaalsContact O-O 3.09Å; A60-I71 HydrophobicContact CB-CG1 4.36Å; A60-R72 CarbonylContact C-O 3.6Å; A60-R72 WeakPolarHBondContact CA-O 3.48Å; A60-R72 VanDerWaalsContact CB-O 3.28Å; A60-R72 WeakPolarHBondContact CB-O 3.39Å; A60-L107 HydrophobicContact CB-CD2 4.36Å
61V96.9Very high94Very high12 Ų1249.5 Ų49.57%0.07325%0.248CC..EExtended strand (participates in β ladder)trans-130.1145.1170.6-68.40000109P31 V32 K33 W63 I71 R72 T74P31-V61 HydrophobicContact CB-CB 4.44Å; V32-V61 WeakPolarHBondContact O-CA 3.45Å; K33-V61 HydrophobicContact CG-CG1 4.08Å; V61-W63 HydrophobicContact CG2-CE3 4.3Å; V61-W63 HydrophobicContact CG2-CZ3 4.09Å; V61-I71 CarbonylContact O-C 3.54Å; V61-I71 WeakPolarHBondContact O-CA 3.39Å; V61-R72 HydrophobicContact CG2-CB 4.05Å; V61-R72 PolarHBondContact N-O 3.47Å; V61-R72 PolarHBondContact O-N 3.33Å; V61-T74 HydrophobicContact CB-CG2 4.38Å; V61-T74 HydrophobicContact CG1-CG2 3.83Å; V61-T74 HydrophobicContact CG2-CG2 3.89Å
62V97.1Very high94.1Very high4 Ų446.8 Ų46.82%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-125.2141.5173.7-66.90000110.1I8 P31 V32 I34 F48 F70 I71I8-V62 HydrophobicContact CD1-CB 3.88Å; I8-V62 HydrophobicContact CD1-CG2 3.61Å; P31-V62 CarbonylContact C-O 3.53Å; V32-V62 HydrophobicContact CB-CG2 3.91Å; V32-V62 HydrophobicContact CG1-CG2 4.39Å; V32-V62 PolarHBondContact N-O 3.46Å; V32-V62 PolarHBondContact O-N 3.17Å; I34-V62 HydrophobicContact CD1-CG1 3.64Å; I34-V62 HydrophobicContact CD1-CG2 4.19Å; I34-V62 HydrophobicContact CG1-CG1 4.45Å; I34-V62 HydrophobicContact CG1-CG2 4.34Å; F48-V62 HydrophobicContact CD2-CG2 3.95Å; F48-V62 HydrophobicContact CE2-CG2 3.91Å; V62-F70 CarbonylContact C-O 3.57Å; V62-F70 WeakPolarHBondContact CA-O 3.4Å; V62-I71 HydrophobicContact CG1-CB 3.86Å; V62-I71 HydrophobicContact CG1-CD1 3.97Å; V62-I71 HydrophobicContact CG1-CG1 3.66Å
63W95.6Very high94.2Very high29 Ų2946.7 Ų46.711%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-148.9171.1178.570.6102.9000110.9V26 P31 V61 E65 F70 R72 P96V26-W63 HydrophobicContact CG1-CB 4.47Å; P31-W63 HydrophobicContact CB-CB 4.07Å; P31-W63 HydrophobicContact CG-CB 4.28Å; V61-W63 HydrophobicContact CG2-CE3 4.3Å; V61-W63 HydrophobicContact CG2-CZ3 4.09Å; W63-E65 PolarHBondContact NE1-OE2 2.93Å; W63-F70 HydrophobicContact CD2-CB 3.83Å; W63-F70 HydrophobicContact CE3-CB 4.04Å; W63-F70 HydrophobicContact CH2-CB 3.68Å; W63-F70 HydrophobicContact CZ2-CB 3.45Å; W63-F70 VanDerWaalsContact CZ2-CB 3.45Å; W63-F70 HydrophobicContact CZ2-CG 4.03Å; W63-F70 HydrophobicContact CZ3-CB 3.96Å; W63-F70 PolarHBondContact N-O 3.21Å; W63-F70 AromaticContact NE1-CD2 3.9Å; W63-F70 PolarHBondContact O-N 3.34Å; W63-R72 HydrophobicContact CH2-CB 3.88Å; W63-R72 HydrophobicContact CZ3-CB 3.64Å; W63-P96 HydrophobicContact CH2-CB 3.69Å; W63-P96 HydrophobicContact CH2-CG 3.96Å; W63-P96 HydrophobicContact CZ2-CB 3.72Å; W63-P96 HydrophobicContact CZ2-CG 3.97Å
64Y94.1Very high94.4Very high60 Ų6041 Ų4124%0.23521%0.206CC..EExtended strand (participates in β ladder)trans-123.7124.6179176.6-104.2000108.2A6 G67 S68 F69 H131 P132A6-Y64 HydrophobicContact CB-CD1 3.64Å; A6-Y64 HydrophobicContact CB-CD2 3.91Å; A6-Y64 HydrophobicContact CB-CE1 4.17Å; A6-Y64 HydrophobicContact CB-CE2 4.44Å; A6-Y64 HydrophobicContact CB-CG 3.47Å; A6-Y64 VanDerWaalsContact CB-CG 3.47Å; Y64-G67 VanDerWaalsContact CE2-C 3.44Å; Y64-G67 WeakPolarHBondContact CE2-O 3.49Å; Y64-G67 WeakPolarHBondContact OH-CA 3.34Å; Y64-S68 WeakPolarHBondContact CA-O 3.37Å; Y64-S68 VanDerWaalsContact CD2-O 3.23Å; Y64-S68 WeakPolarHBondContact CD2-O 3.33Å; Y64-F69 HydrophobicContact CD2-CD1 4.02Å; Y64-F69 AromaticContact CD2-CD2 3.93Å; Y64-F69 HydrophobicContact CD2-CD2 3.93Å; Y64-F69 AromaticContact CD2-CE1 3.86Å; Y64-F69 HydrophobicContact CD2-CE1 3.86Å; Y64-F69 AromaticContact CD2-CE2 3.73Å; Y64-F69 HydrophobicContact CD2-CE2 3.73Å; Y64-F69 HydrophobicContact CD2-CG 4.07Å; Y64-F69 AromaticContact CD2-CZ 3.7Å; Y64-F69 HydrophobicContact CD2-CZ 3.7Å; Y64-F69 HydrophobicContact CE2-CD2 4.27Å; Y64-F69 AromaticContact CE2-CE2 3.89Å; Y64-F69 HydrophobicContact CE2-CE2 3.89Å; Y64-F69 HydrophobicContact CE2-CZ 4.15Å; Y64-F69 HydrophobicContact CG-CE1 4.35Å; Y64-F69 HydrophobicContact CG-CZ 4.47Å; Y64-H131 AromaticContact CE2-ND1 3.6Å; Y64-H131 AromaticContact CZ-ND1 3.97Å; Y64-P132 HydrophobicContact CD1-CG 4.49Å; Y64-P132 HydrophobicContact CE1-CG 3.79Å
65E92.5Very high94.5Very high99 Ų9946.7 Ų46.746%0.46323%0.23SC..EExtended strand (participates in β ladder)trans-150138.5-174.8-175.9172.5-154.300109.1W63 G67 S68 F70W63-E65 PolarHBondContact NE1-OE2 2.93Å; E65-G67 PolarHBondContact O-N 3.26Å; E65-S68 PolarHBondContact N-O 3.37Å; E65-S68 PolarHBondContact O-N 3.25Å; E65-S68 VanDerWaalsContact O-O 3.08Å; E65-F70 HydrophobicContact CB-CD2 4.3Å; E65-F70 HydrophobicContact CB-CE2 4.2Å
66D89.1Confident94.4Very high161 Ų16146.5 Ų46.586%0.86123%0.229SC*.THydrogen-bonded Turntrans50.532.4175.5-65.6-25.3000116.2S68D66-S68 VanDerWaalsContact C-N 3.34Å
67G88.8Confident94.3Very high34 Ų3449.3 Ų49.335%0.35125%0.248SC..THydrogen-bonded Turntrans90.5-6.2-179.800000114.5Y64 E65 H131Y64-G67 VanDerWaalsContact CE2-C 3.44Å; Y64-G67 WeakPolarHBondContact CE2-O 3.49Å; Y64-G67 WeakPolarHBondContact OH-CA 3.34Å; E65-G67 PolarHBondContact O-N 3.26Å; G67-H131 PolarHBondContact O-CE1 2.9Å
68S91.9Very high94.2Very high26 Ų2642.6 Ų42.618%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-119.5155.1-173.7-72.30000112.5Y64 E65 D66 E98Y64-S68 WeakPolarHBondContact CA-O 3.37Å; Y64-S68 VanDerWaalsContact CD2-O 3.23Å; Y64-S68 WeakPolarHBondContact CD2-O 3.33Å; E65-S68 PolarHBondContact N-O 3.37Å; E65-S68 PolarHBondContact O-N 3.25Å; E65-S68 VanDerWaalsContact O-O 3.08Å; D66-S68 VanDerWaalsContact C-N 3.34Å; S68-E98 WeakPolarHBondContact CB-OE1 3.48Å; S68-E98 PolarHBondContact OG-OE1 3.22Å
69F94.6Very high94.2Very high3 Ų339.4 Ų39.41%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-100.7137.4174.3-70.5-92.1000109.8A6 I8 Y64 E98 V99 L129 Y130 H131 A137A6-F69 HydrophobicContact CB-CE1 3.84Å; A6-F69 HydrophobicContact CB-CZ 3.8Å; I8-F69 HydrophobicContact CD1-CD1 3.89Å; I8-F69 HydrophobicContact CD1-CE1 4.23Å; I8-F69 HydrophobicContact CG1-CD1 3.83Å; I8-F69 HydrophobicContact CG1-CE1 3.73Å; Y64-F69 HydrophobicContact CD2-CD1 4.02Å; Y64-F69 AromaticContact CD2-CD2 3.93Å; Y64-F69 HydrophobicContact CD2-CD2 3.93Å; Y64-F69 AromaticContact CD2-CE1 3.86Å; Y64-F69 HydrophobicContact CD2-CE1 3.86Å; Y64-F69 AromaticContact CD2-CE2 3.73Å; Y64-F69 HydrophobicContact CD2-CE2 3.73Å; Y64-F69 HydrophobicContact CD2-CG 4.07Å; Y64-F69 AromaticContact CD2-CZ 3.7Å; Y64-F69 HydrophobicContact CD2-CZ 3.7Å; Y64-F69 HydrophobicContact CE2-CD2 4.27Å; Y64-F69 AromaticContact CE2-CE2 3.89Å; Y64-F69 HydrophobicContact CE2-CE2 3.89Å; Y64-F69 HydrophobicContact CE2-CZ 4.15Å; Y64-F69 HydrophobicContact CG-CE1 4.35Å; Y64-F69 HydrophobicContact CG-CZ 4.47Å; F69-E98 CarbonylContact O-C 3.51Å; F69-E98 WeakPolarHBondContact O-CA 3.23Å; F69-V99 HydrophobicContact CB-CG2 3.87Å; F69-V99 PolarHBondContact O-N 3.47Å; F69-L129 HydrophobicContact CB-CD1 3.82Å; F69-L129 HydrophobicContact CD1-CD2 4.11Å; F69-L129 HydrophobicContact CD2-CB 3.86Å; F69-L129 HydrophobicContact CD2-CD1 3.9Å; F69-L129 HydrophobicContact CD2-CG 4.36Å; F69-L129 HydrophobicContact CE1-CB 4.45Å; F69-L129 HydrophobicContact CE1-CD2 4.5Å; F69-L129 HydrophobicContact CE2-CB 3.8Å; F69-L129 HydrophobicContact CG-CB 4.23Å; F69-L129 HydrophobicContact CG-CD1 3.86Å; F69-L129 HydrophobicContact CG-CD2 4.17Å; F69-L129 HydrophobicContact CG-CG 4.33Å; F69-L129 HydrophobicContact CZ-CB 4.1Å; F69-Y130 WeakPolarHBondContact CZ-O 3.29Å; F69-H131 AromaticContact CE2-ND1 3.87Å; F69-A137 HydrophobicContact CD2-CB 3.94Å; F69-A137 HydrophobicContact CE2-CB 3.66Å
70F95.3Very high94.3Very high43 Ų4339.4 Ų39.419%0.18921%0.206CC..EExtended strand (participates in β ladder)trans-126.5146.9-179.7-62.6-84.5000111.2V62 W63 E65 P96 H97 E98V62-F70 CarbonylContact C-O 3.57Å; V62-F70 WeakPolarHBondContact CA-O 3.4Å; W63-F70 HydrophobicContact CD2-CB 3.83Å; W63-F70 HydrophobicContact CE3-CB 4.04Å; W63-F70 HydrophobicContact CH2-CB 3.68Å; W63-F70 HydrophobicContact CZ2-CB 3.45Å; W63-F70 VanDerWaalsContact CZ2-CB 3.45Å; W63-F70 HydrophobicContact CZ2-CG 4.03Å; W63-F70 HydrophobicContact CZ3-CB 3.96Å; W63-F70 PolarHBondContact N-O 3.21Å; W63-F70 AromaticContact NE1-CD2 3.9Å; W63-F70 PolarHBondContact O-N 3.34Å; E65-F70 HydrophobicContact CB-CD2 4.3Å; E65-F70 HydrophobicContact CB-CE2 4.2Å; F70-P96 HydrophobicContact CD1-CB 4.25Å; F70-H97 CarbonylContact C-O 3.59Å; F70-H97 VanDerWaalsContact CA-O 3.28Å; F70-H97 WeakPolarHBondContact CA-O 3.33Å; F70-E98 HydrophobicContact CD1-CB 4.04Å; F70-E98 HydrophobicContact CE1-CB 3.82Å; F70-E98 HydrophobicContact CE1-CG 4.16Å
71I96.7Very high94.2Very high2 Ų240.9 Ų40.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-121.6148168-169.3166.8000109.6I34 A60 V61 V62 T80 V82 L87 H97 V99 V105I34-I71 HydrophobicContact CD1-CD1 4.49Å; A60-I71 HydrophobicContact CB-CG1 4.36Å; V61-I71 CarbonylContact O-C 3.54Å; V61-I71 WeakPolarHBondContact O-CA 3.39Å; V62-I71 HydrophobicContact CG1-CB 3.86Å; V62-I71 HydrophobicContact CG1-CD1 3.97Å; V62-I71 HydrophobicContact CG1-CG1 3.66Å; I71-T80 HydrophobicContact CD1-CG2 4.09Å; I71-V82 HydrophobicContact CG2-CG2 3.95Å; I71-L87 HydrophobicContact CG2-CD1 3.76Å; I71-H97 HydrophobicContact CG2-CB 4.05Å; I71-H97 PolarHBondContact N-O 3.43Å; I71-H97 PolarHBondContact O-N 2.88Å; I71-V99 HydrophobicContact CB-CG1 4.1Å; I71-V99 HydrophobicContact CG2-CG1 3.39Å; I71-V105 HydrophobicContact CD1-CG1 3.88Å; I71-V105 HydrophobicContact CD1-CG2 4.29Å
72R96.1Very high94Very high73 Ų7340.5 Ų40.528%0.27521%0.21SC..EExtended strand (participates in β ladder)trans-142.7134.3172.7174.5171.852.8166-14.2110.8A60 V61 W63 E93 S94A60-R72 CarbonylContact C-O 3.6Å; A60-R72 WeakPolarHBondContact CA-O 3.48Å; A60-R72 VanDerWaalsContact CB-O 3.28Å; A60-R72 WeakPolarHBondContact CB-O 3.39Å; V61-R72 HydrophobicContact CG2-CB 4.05Å; V61-R72 PolarHBondContact N-O 3.47Å; V61-R72 PolarHBondContact O-N 3.33Å; W63-R72 HydrophobicContact CH2-CB 3.88Å; W63-R72 HydrophobicContact CZ3-CB 3.64Å; R72-E93 WeakPolarHBondContact CD-OE1 3.44Å; R72-E93 HydrophobicContact CG-CG 4.23Å; R72-E93 IonicContact CZ-OE1 3.36Å; R72-E93 IonicContact NE-OE1 2.73Å; R72-E93 IonicContact NH1-OE1 2.97Å; R72-E93 PolarHBondContact NH1-OE1 3.26Å; R72-S94 WeakPolarHBondContact CA-OG 3.29Å; R72-S94 VanDerWaalsContact CD-O 3.31Å; R72-S94 WeakPolarHBondContact CD-O 3.49Å; R72-S94 VanDerWaalsContact CG-O 3.32Å; R72-S94 WeakPolarHBondContact CG-O 3.38Å
73D96.7Very high93.7Very high0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-72.5125.1168.8-174.883000110K75 S76 T80 S88 E93 S94D73-K75 PolarHBondContact O-N 2.92Å; D73-K75 WeakPolarHBondContact OD2-CA 3.35Å; D73-K75 PolarHBondContact OD2-N 3.13Å; D73-K75 VanDerWaalsContact OD2-N 3.07Å; D73-S76 VanDerWaalsContact OD1-CB 3.27Å; D73-S76 WeakPolarHBondContact OD1-CB 3.46Å; D73-S76 PolarHBondContact OD1-OG 3.33Å; D73-S76 PolarHBondContact OD2-N 3.07Å; D73-T80 WeakPolarHBondContact OD1-CB 3.42Å; D73-T80 PolarHBondContact OD1-N 2.97Å; D73-T80 VanDerWaalsContact OD1-N 3.12Å; D73-T80 PolarHBondContact OD1-OG1 3.36Å; D73-S88 PolarHBondContact OD2-OG 2.94Å; D73-S88 VanDerWaalsContact OD2-OG 3.11Å; D73-E93 WeakPolarHBondContact O-CA 3.37Å; D73-E93 VanDerWaalsContact O-CG 3.27Å; D73-E93 WeakPolarHBondContact O-CG 3.4Å; D73-S94 PolarHBondContact N-OG 3.07Å; D73-S94 PolarHBondContact O-N 3.43Å; D73-S94 VanDerWaalsContact O-N 3.13Å
74T95.5Very high93.4Very high32 Ų3244.2 Ų44.220%0.19625%0.247CC..BIsolated β-bridgetrans-97.252.7-179.560.10000111.7T58 H59 V61T58-T74 HydrophobicContact CG2-CG2 4.42Å; T58-T74 PolarHBondContact O-OG1 3.07Å; H59-T74 PolarHBondContact O-N 3.18Å; H59-T74 PolarHBondContact O-OG1 3.02Å; H59-T74 VanDerWaalsContact O-OG1 3.07Å; V61-T74 HydrophobicContact CB-CG2 4.38Å; V61-T74 HydrophobicContact CG1-CG2 3.83Å; V61-T74 HydrophobicContact CG2-CG2 3.89Å
75K93.1Very high93.2Very high124 Ų12445.5 Ų45.554%0.53926%0.257SS..SBendtrans60.847-177.5-55.2174.9-175.6-178.30111.9D73 E93D73-K75 PolarHBondContact O-N 2.92Å; D73-K75 WeakPolarHBondContact OD2-CA 3.35Å; D73-K75 PolarHBondContact OD2-N 3.13Å; D73-K75 VanDerWaalsContact OD2-N 3.07Å; K75-E93 HydrophobicContact CG-CB 3.88Å
76S93.9Very high93.2Very high0 Ų045.5 Ų45.50%025%0.253CS..  trans-68.8145.5178.874.10000111.2H59 D73 N78 G79H59-S76 WeakPolarHBondContact CE1-CB 3.39Å; H59-S76 PolarHBondContact CE1-OG 3.03Å; H59-S76 VanDerWaalsContact ND1-CB 3.31Å; H59-S76 WeakPolarHBondContact ND1-CB 3.05Å; H59-S76 PolarHBondContact NE2-OG 3.37Å; D73-S76 VanDerWaalsContact OD1-CB 3.27Å; D73-S76 WeakPolarHBondContact OD1-CB 3.46Å; D73-S76 PolarHBondContact OD1-OG 3.33Å; D73-S76 PolarHBondContact OD2-N 3.07Å; S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 2.83Å; S76-G79 VanDerWaalsContact OG-C 3.23Å; S76-G79 WeakPolarHBondContact OG-CA 3.44Å; S76-G79 PolarHBondContact OG-N 3.02Å
77S92.5Very high93.3Very high86 Ų8639.2 Ų39.260%0.60122%0.22SC*.SBendtrans-66-35.4-178.7-570000112.2
78N92.6Very high93.3Very high40 Ų4038.1 Ų38.121%0.21421%0.206CC..SBendtrans-102.6-1.4-174.4-64.8-34.6000113.5V54 S76 V109V54-N78 HydrophobicContact CG1-CB 4.32Å; V54-N78 WeakPolarHBondContact CG1-ND2 3.26Å; V54-N78 PolarHBondContact O-ND2 3.43Å; S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 2.83Å; N78-V109 HydrophobicContact CB-CG2 4.32Å
79G93.7Very high92.7Very high0 Ų044.6 Ų44.60%023%0.231CC..  trans78.9153.8-17900000114.4H59 S76 G108H59-G79 PolarHBondContact NE2-O 3.38Å; S76-G79 VanDerWaalsContact OG-C 3.23Å; S76-G79 WeakPolarHBondContact OG-CA 3.44Å; S76-G79 PolarHBondContact OG-N 3.02Å; G79-G108 VanDerWaalsContact O-CA 3.32Å; G79-G108 WeakPolarHBondContact O-CA 3.47Å; G79-G108 PolarHBondContact O-N 3.4Å
80T95.8Very high91.8Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-105.7138.4166.9-58.20000109.4H59 I71 D73 R86 L87 V105 L107H59-T80 PolarHBondContact CD2-OG1 2.97Å; H59-T80 VanDerWaalsContact CD2-OG1 3.3Å; H59-T80 PolarHBondContact NE2-OG1 3.1Å; I71-T80 HydrophobicContact CD1-CG2 4.09Å; D73-T80 WeakPolarHBondContact OD1-CB 3.42Å; D73-T80 PolarHBondContact OD1-N 2.97Å; D73-T80 VanDerWaalsContact OD1-N 3.12Å; D73-T80 PolarHBondContact OD1-OG1 3.36Å; T80-R86 WeakPolarHBondContact O-CA 3.4Å; T80-L87 HydrophobicContact CG2-CD1 3.82Å; T80-L87 HydrophobicContact CG2-CG 4.42Å; T80-L87 PolarHBondContact O-N 3.45Å; T80-V105 HydrophobicContact CG2-CG1 4.43Å; T80-L107 HydrophobicContact CG2-CD2 3.95Å
81F94.9Very high90.8Very high31 Ų3148.9 Ų48.914%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-126.3136.6-178.9-54.5-105.7000109.9L85 R86 V105 Q106 V109F81-L85 CarbonylContact C-O 3.51Å; F81-L85 WeakPolarHBondContact CA-O 3.33Å; F81-R86 HydrophobicContact CD1-CB 3.65Å; F81-R86 HydrophobicContact CD1-CG 4.06Å; F81-R86 HydrophobicContact CE1-CB 3.56Å; F81-R86 HydrophobicContact CE1-CG 3.72Å; F81-R86 HydrophobicContact CG-CB 4.49Å; F81-R86 HydrophobicContact CZ-CB 4.33Å; F81-R86 HydrophobicContact CZ-CG 3.98Å; F81-V105 WeakPolarHBondContact O-CA 3.36Å; F81-Q106 HydrophobicContact CB-CB 4.11Å; F81-Q106 HydrophobicContact CD2-CG 4.24Å; F81-Q106 PolarHBondContact N-O 3.39Å; F81-Q106 PolarHBondContact O-N 3.38Å; F81-V109 HydrophobicContact CE2-CG1 3.88Å; F81-V109 HydrophobicContact CZ-CG1 3.88Å
82V93.9Very high90.4Very high3 Ų354 Ų542%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-121.4120.7172.9179.50000107.3I71 G84 L85 L87 V99 D103 I104 V105I71-V82 HydrophobicContact CG2-CG2 3.95Å; V82-G84 PolarHBondContact O-N 3.05Å; V82-G84 VanDerWaalsContact O-N 3.16Å; V82-L85 PolarHBondContact N-O 2.98Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.94Å; V82-L87 HydrophobicContact CB-CD2 4.23Å; V82-L87 HydrophobicContact CG2-CD1 3.91Å; V82-L87 HydrophobicContact CG2-CD2 3.9Å; V82-L87 HydrophobicContact CG2-CG 4.11Å; V82-V99 HydrophobicContact CG1-CG1 4.22Å; V82-V99 HydrophobicContact CG2-CG1 4.33Å; V82-D103 HydrophobicContact CG1-CB 4.32Å; V82-I104 CarbonylContact C-O 3.59Å; V82-I104 WeakPolarHBondContact CA-O 3.45Å; V82-V105 HydrophobicContact CG2-CG2 4.44Å
83N90.3Very high90.2Very high49 Ų4954.7 Ų54.726%0.26230%0.304SS..THydrogen-bonded Turntrans50.537.9-174.8-57.4-38.6000113.2L85 D103 I104N83-L85 VanDerWaalsContact C-N 3.25Å; N83-L85 PolarHBondContact O-N 3.41Å; N83-D103 PolarHBondContact ND2-OD1 3.24Å; N83-I104 PolarHBondContact N-O 3.22Å; N83-I104 PolarHBondContact OD1-N 2.68Å
84G88.6Confident90.1Very high62 Ų6255.1 Ų55.164%0.63931%0.307SS*.THydrogen-bonded Turntrans82.5-13.2-177.400000115.2V82V82-G84 PolarHBondContact O-N 3.05Å; V82-G84 VanDerWaalsContact O-N 3.16Å
85L90.3Very high90Very high87 Ų8757.1 Ų57.146%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-82.2121.8176.7-17965.8000110.8F81 V82 N83F81-L85 CarbonylContact C-O 3.51Å; F81-L85 WeakPolarHBondContact CA-O 3.33Å; V82-L85 PolarHBondContact N-O 2.98Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.94Å; N83-L85 VanDerWaalsContact C-N 3.25Å; N83-L85 PolarHBondContact O-N 3.41Å
86R92.5Very high90Very high100 Ų10054.9 Ų54.938%0.37733%0.325SS..EExtended strand (participates in β ladder)trans-72126.7174-165.2-178.2179.71738.6110.9T80 F81 S88T80-R86 WeakPolarHBondContact O-CA 3.4Å; F81-R86 HydrophobicContact CD1-CB 3.65Å; F81-R86 HydrophobicContact CD1-CG 4.06Å; F81-R86 HydrophobicContact CE1-CB 3.56Å; F81-R86 HydrophobicContact CE1-CG 3.72Å; F81-R86 HydrophobicContact CG-CB 4.49Å; F81-R86 HydrophobicContact CZ-CB 4.33Å; F81-R86 HydrophobicContact CZ-CG 3.98Å; R86-S88 VanDerWaalsContact CD-O 3.25Å; R86-S88 WeakPolarHBondContact CD-O 3.33Å; R86-S88 WeakPolarHBondContact CG-O 3.18Å; R86-S88 PolarHBondContact NE-O 3.45Å; R86-S88 VanDerWaalsContact NE-O 3.13Å
87L92.5Very high90Very high29 Ų2957.8 Ų57.815%0.15234%0.338CS..SBendtrans-76.4-29.5-174.9-60.7-175000114.7I71 T80 V82 S94 H97I71-L87 HydrophobicContact CG2-CD1 3.76Å; T80-L87 HydrophobicContact CG2-CD1 3.82Å; T80-L87 HydrophobicContact CG2-CG 4.42Å; T80-L87 PolarHBondContact O-N 3.45Å; V82-L87 HydrophobicContact CB-CD2 4.23Å; V82-L87 HydrophobicContact CG2-CD1 3.91Å; V82-L87 HydrophobicContact CG2-CD2 3.9Å; V82-L87 HydrophobicContact CG2-CG 4.11Å; L87-S94 WeakPolarHBondContact O-CB 2.98Å; L87-H97 HydrophobicContact CD1-CB 4.22Å; L87-H97 HydrophobicContact CD2-CB 3.85Å
88S87.5Confident90.1Very high10 Ų1056.5 Ų56.57%0.0732%0.323CS..SBendtrans-125.9152.6-178.858.20000111.7D73 R86 E92D73-S88 PolarHBondContact OD2-OG 2.94Å; D73-S88 VanDerWaalsContact OD2-OG 3.11Å; R86-S88 VanDerWaalsContact CD-O 3.25Å; R86-S88 WeakPolarHBondContact CD-O 3.33Å; R86-S88 WeakPolarHBondContact CG-O 3.18Å; R86-S88 PolarHBondContact NE-O 3.45Å; R86-S88 VanDerWaalsContact NE-O 3.13Å; S88-E92 WeakPolarHBondContact CB-O 3.25Å; S88-E92 PolarHBondContact OG-O 2.98Å
89K80.9Confident90.1Very high163 Ų16354.8 Ų54.871%0.70931%0.314SS*.SBendtrans-68.2152.2160.8-63.9178.2-177.6175.70108.3S91 E92K89-S91 PolarHBondContact O-N 3.38Å; K89-E92 PolarHBondContact O-N 2.89Å
90G73.7Confident90Very high45 Ų4556.6 Ų56.646%0.46432%0.321SS..THydrogen-bonded Turntrans-52.6125-171.300000113.7E92G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 3.24Å
91S75.4Confident89.9Confident90 Ų9056.9 Ų56.963%0.62932%0.323SS*.THydrogen-bonded Turntrans68.415-178.5-480000116.7K89K89-S91 PolarHBondContact O-N 3.38Å
92E88.1Confident89.6Confident111 Ų11157.1 Ų57.152%0.51933%0.334SS..SBendtrans-106.1158.1173.1-65-178.4172.700111.7S88 K89 G90S88-E92 WeakPolarHBondContact CB-O 3.25Å; S88-E92 PolarHBondContact OG-O 2.98Å; K89-E92 PolarHBondContact O-N 2.89Å; G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 3.24Å
93E92.4Very high89.6Confident87 Ų8757.2 Ų57.241%0.40733%0.334SS..BIsolated β-bridgetrans-79.7136.6173.3-164.2175.6158.800108.2R72 D73 K75R72-E93 WeakPolarHBondContact CD-OE1 3.44Å; R72-E93 HydrophobicContact CG-CG 4.23Å; R72-E93 IonicContact CZ-OE1 3.36Å; R72-E93 IonicContact NE-OE1 2.73Å; R72-E93 IonicContact NH1-OE1 2.97Å; R72-E93 PolarHBondContact NH1-OE1 3.26Å; D73-E93 WeakPolarHBondContact O-CA 3.37Å; D73-E93 VanDerWaalsContact O-CG 3.27Å; D73-E93 WeakPolarHBondContact O-CG 3.4Å; K75-E93 HydrophobicContact CG-CB 3.88Å
94S93.3Very high89.7Confident9 Ų957.3 Ų57.36%0.06333%0.334CS..PPolyproline II helixtrans-76.5158.9176.175.20000111R72 D73 L87R72-S94 WeakPolarHBondContact CA-OG 3.29Å; R72-S94 VanDerWaalsContact CD-O 3.31Å; R72-S94 WeakPolarHBondContact CD-O 3.49Å; R72-S94 VanDerWaalsContact CG-O 3.32Å; R72-S94 WeakPolarHBondContact CG-O 3.38Å; D73-S94 PolarHBondContact N-OG 3.07Å; D73-S94 PolarHBondContact O-N 3.43Å; D73-S94 VanDerWaalsContact O-N 3.13Å; L87-S94 WeakPolarHBondContact O-CB 2.98Å
95A93.4Very high90.1Very high73 Ų7354.5 Ų54.560%0.60331%0.305SS*.PPolyproline II helixtrans-62158.6158.400000109.9H97A95-H97 PolarHBondContact O-N 3.25Å
96P94.9Very high90.3Very high78 Ų7853.1 Ų53.151%0.50630%0.296SS..PPolyproline II helixtrans-51.6129.3163.6-26.936.6000110.9W63 F70W63-P96 HydrophobicContact CH2-CB 3.69Å; W63-P96 HydrophobicContact CH2-CG 3.96Å; W63-P96 HydrophobicContact CZ2-CB 3.72Å; W63-P96 HydrophobicContact CZ2-CG 3.97Å; F70-P96 HydrophobicContact CD1-CB 4.25Å
97H94Very high90.5Very high61 Ų6148.5 Ų48.528%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-118.9122.5177-17281.2000108.8F70 I71 L87 A95F70-H97 CarbonylContact C-O 3.59Å; F70-H97 VanDerWaalsContact CA-O 3.28Å; F70-H97 WeakPolarHBondContact CA-O 3.33Å; I71-H97 HydrophobicContact CG2-CB 4.05Å; I71-H97 PolarHBondContact N-O 3.43Å; I71-H97 PolarHBondContact O-N 2.88Å; L87-H97 HydrophobicContact CD1-CB 4.22Å; L87-H97 HydrophobicContact CD2-CB 3.85Å; A95-H97 PolarHBondContact O-N 3.25Å
98E93Very high90.6Very high58 Ų5847.1 Ų47.127%0.27127%0.272SS..EExtended strand (participates in β ladder)trans-69.6136.3176.9-168.1177.4-157.400109.8S68 F69 F70 Y100S68-E98 WeakPolarHBondContact CB-OE1 3.48Å; S68-E98 PolarHBondContact OG-OE1 3.22Å; F69-E98 CarbonylContact O-C 3.51Å; F69-E98 WeakPolarHBondContact O-CA 3.23Å; F70-E98 HydrophobicContact CD1-CB 4.04Å; F70-E98 HydrophobicContact CE1-CB 3.82Å; F70-E98 HydrophobicContact CE1-CG 4.16Å; E98-Y100 HydrophobicContact CB-CE2 4.47Å; E98-Y100 HydrophobicContact CG-CE2 4.01Å; E98-Y100 PolarHBondContact OE1-OH 3.3Å; E98-Y100 PolarHBondContact OE2-OH 3.46Å
99V93.1Very high90.8Very high4 Ų449.2 Ų49.22%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-126.4152.8179.5-69.80000111.1F69 I71 V82 L127 L129F69-V99 HydrophobicContact CB-CG2 3.87Å; F69-V99 PolarHBondContact O-N 3.47Å; I71-V99 HydrophobicContact CB-CG1 4.1Å; I71-V99 HydrophobicContact CG2-CG1 3.39Å; V82-V99 HydrophobicContact CG1-CG1 4.22Å; V82-V99 HydrophobicContact CG2-CG1 4.33Å; V99-L127 HydrophobicContact CB-CD1 3.81Å; V99-L127 HydrophobicContact CG1-CD1 4.17Å; V99-L127 HydrophobicContact CG2-CD1 4.03Å; V99-L129 HydrophobicContact CG2-CD1 4.18Å; V99-L129 VanDerWaalsContact O-CD1 3.3Å; V99-L129 WeakPolarHBondContact O-CD1 3.25Å
100Y91.8Very high91.2Very high38 Ų3847.1 Ų47.115%0.14928%0.277CS..  trans-128.6160.5-174.7-60.6-89.5000111.6E98 G102 D103 L129 K139E98-Y100 HydrophobicContact CB-CE2 4.47Å; E98-Y100 HydrophobicContact CG-CE2 4.01Å; E98-Y100 PolarHBondContact OE1-OH 3.3Å; E98-Y100 PolarHBondContact OE2-OH 3.46Å; Y100-G102 PolarHBondContact O-N 3.11Å; Y100-D103 PolarHBondContact N-OD2 2.94Å; Y100-D103 WeakPolarHBondContact O-CB 3.48Å; Y100-D103 PolarHBondContact O-N 2.96Å; Y100-D103 VanDerWaalsContact O-N 3.14Å; Y100-L129 VanDerWaalsContact CA-CD1 3.49Å; Y100-K139 HydrophobicContact CD1-CG 4.45Å; Y100-K139 HydrophobicContact CG-CG 3.9Å
101S92.5Very high91.9Very high7 Ų748 Ų485%0.04927%0.27CS..BIsolated β-bridgetrans-61.3135.1172.3-58.80000110L129 A137S101-L129 WeakPolarHBondContact OG-CB 3.31Å; S101-L129 PolarHBondContact OG-N 2.91Å; S101-L129 PolarHBondContact OG-O 3.41Å; S101-A137 WeakPolarHBondContact CB-O 3.24Å; S101-A137 PolarHBondContact N-O 2.98Å; S101-A137 PolarHBondContact OG-O 3.35Å
102G90.4Very high92.4Very high36 Ų3647.6 Ų47.637%0.37126%0.264SS..THydrogen-bonded Turntrans91.4-3.1-174.300000114.6Y100 M126 L127Y100-G102 PolarHBondContact O-N 3.11Å; G102-M126 WeakPolarHBondContact CA-SD 3.21Å; G102-L127 PolarHBondContact N-O 3.21Å
103D92.5Very high92.1Very high4 Ų445.7 Ų45.72%0.02126%0.255CS..PPolyproline II helixtrans-72.1142.8171.5-76.8-23.7000111.8V82 N83 Y100 L127 K139V82-D103 HydrophobicContact CG1-CB 4.32Å; N83-D103 PolarHBondContact ND2-OD1 3.24Å; Y100-D103 PolarHBondContact N-OD2 2.94Å; Y100-D103 WeakPolarHBondContact O-CB 3.48Å; Y100-D103 PolarHBondContact O-N 2.96Å; Y100-D103 VanDerWaalsContact O-N 3.14Å; D103-L127 HydrophobicContact CB-CD1 4.04Å; D103-L127 PolarHBondContact O-N 3.45Å; D103-K139 WeakPolarHBondContact OD1-CE 3.29Å; D103-K139 IonicContact OD1-NZ 3.54Å; D103-K139 PolarHBondContact OD1-NZ 3.43Å
104I93.9Very high91.5Very high51 Ų5148.1 Ų48.126%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-95.6117.3173.8-58.5-68.3000108.6V82 N83 V124 A125 M126V82-I104 CarbonylContact C-O 3.59Å; V82-I104 WeakPolarHBondContact CA-O 3.45Å; N83-I104 PolarHBondContact N-O 3.22Å; N83-I104 PolarHBondContact OD1-N 2.68Å; I104-V124 HydrophobicContact CG2-CG1 3.69Å; I104-A125 WeakPolarHBondContact CA-O 3.31Å; I104-M126 HydrophobicContact CD1-CB 4.11Å; I104-M126 HydrophobicContact CD1-CE 3.36Å; I104-M126 HydrophobicContact CD1-CG 4.47Å; I104-M126 HydrophobicContact CD1-SD 3.52Å; I104-M126 VanDerWaalsContact CD1-SD 3.52Å; I104-M126 HydrophobicContact CG1-CE 4.32Å; I104-M126 HydrophobicContact CG1-SD 4.32Å
105V95.5Very high91Very high4 Ų453.7 Ų53.72%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-100.5123.6172.2-179.30000109I71 T80 F81 V82 L107 V124 A125 L127I71-V105 HydrophobicContact CD1-CG1 3.88Å; I71-V105 HydrophobicContact CD1-CG2 4.29Å; T80-V105 HydrophobicContact CG2-CG1 4.43Å; F81-V105 WeakPolarHBondContact O-CA 3.36Å; V82-V105 HydrophobicContact CG2-CG2 4.44Å; V105-L107 HydrophobicContact CG1-CD2 3.78Å; V105-L107 HydrophobicContact CG1-CG 4.02Å; V105-V124 CarbonylContact O-C 3.59Å; V105-V124 WeakPolarHBondContact O-CA 3.3Å; V105-A125 PolarHBondContact N-O 2.99Å; V105-A125 PolarHBondContact O-N 2.93Å; V105-L127 HydrophobicContact CG2-CD1 3.38Å; V105-L127 HydrophobicContact CG2-CD2 4.3Å; V105-L127 HydrophobicContact CG2-CG 3.71Å
106Q95.9Very high90.2Very high58 Ų5857.2 Ų57.227%0.27131%0.306SS..EExtended strand (participates in β ladder)trans-111.2125.6169.9166.5-178.9-21.100109.4F81 G108 I123 V124F81-Q106 HydrophobicContact CB-CB 4.11Å; F81-Q106 HydrophobicContact CD2-CG 4.24Å; F81-Q106 PolarHBondContact N-O 3.39Å; F81-Q106 PolarHBondContact O-N 3.38Å; Q106-G108 VanDerWaalsContact CG-O 3.3Å; Q106-G108 WeakPolarHBondContact CG-O 3.48Å; Q106-G108 PolarHBondContact NE2-O 3Å; Q106-I123 CarbonylContact C-O 3.55Å; Q106-I123 WeakPolarHBondContact CA-O 3.46Å; Q106-V124 HydrophobicContact CB-CG1 4.5Å; Q106-V124 HydrophobicContact CB-CG2 4.23Å; Q106-V124 HydrophobicContact CG-CG2 4.13Å
107L96.2Very high89.6Confident2 Ų260.3 Ų60.31%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-110.1103.1-177.9-55.8166.4000108.6I34 F50 L55 A60 T80 V105 C122 I123I34-L107 HydrophobicContact CG2-CD1 3.44Å; I34-L107 VanDerWaalsContact CG2-CD1 3.44Å; I34-L107 HydrophobicContact CG2-CD2 4.23Å; I34-L107 HydrophobicContact CG2-CG 4.5Å; F50-L107 HydrophobicContact CE2-CD1 4.47Å; L55-L107 HydrophobicContact CD2-CB 3.38Å; L55-L107 HydrophobicContact CD2-CD1 4.46Å; L55-L107 WeakPolarHBondContact CD2-O 3.36Å; A60-L107 HydrophobicContact CB-CD2 4.36Å; T80-L107 HydrophobicContact CG2-CD2 3.95Å; V105-L107 HydrophobicContact CG1-CD2 3.78Å; V105-L107 HydrophobicContact CG1-CG 4.02Å; L107-C122 WeakPolarHBondContact O-CB 3.5Å; L107-I123 HydrophobicContact CB-CB 4.23Å; L107-I123 HydrophobicContact CD1-CB 4.17Å; L107-I123 HydrophobicContact CD1-CG2 3.97Å; L107-I123 PolarHBondContact N-O 3.22Å; L107-I123 PolarHBondContact O-N 2.88Å
108G93.3Very high89.1Confident0 Ų060.2 Ų60.20%032%0.322CS..SBendtrans81.7-170.9-174.200000114.9G79 Q106G79-G108 VanDerWaalsContact O-CA 3.32Å; G79-G108 WeakPolarHBondContact O-CA 3.47Å; G79-G108 PolarHBondContact O-N 3.4Å; Q106-G108 VanDerWaalsContact CG-O 3.3Å; Q106-G108 WeakPolarHBondContact CG-O 3.48Å; Q106-G108 PolarHBondContact NE2-O 3Å
109V91.9Very high88.8Confident55 Ų5561.3 Ų61.333%0.33333%0.333SS..  trans-126.6154.4179.9-63.80000109.5V54 N78 F81 I111V54-V109 WeakPolarHBondContact CG1-O 3.44Å; N78-V109 HydrophobicContact CB-CG2 4.32Å; F81-V109 HydrophobicContact CE2-CG1 3.88Å; F81-V109 HydrophobicContact CZ-CG1 3.88Å; V109-I111 PolarHBondContact O-N 3.34Å
110E90.5Very high88.6Confident119 Ų11962.8 Ų62.856%0.55634%0.34SS*.  trans-64.9130.5174.3-174.6172.9-161.800110.4T119 H120E110-T119 WeakPolarHBondContact OE1-CB 3.34Å; E110-H120 WeakPolarHBondContact CA-O 3.47Å
111I87.4Confident88.5Confident62 Ų6261.8 Ų61.832%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-113.3122.9179.1-60.8171.3000108.7V54 V109 H120V54-I111 HydrophobicContact CG2-CD1 4.48Å; V109-I111 PolarHBondContact O-N 3.34Å; I111-H120 HydrophobicContact CB-CB 4.37Å; I111-H120 PolarHBondContact N-O 3.41Å; I111-H120 PolarHBondContact O-N 2.95Å
112V86Confident88.6Confident82 Ų8262 Ų6250%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-100116.3175-1740000109.3N114 T119V112-N114 PolarHBondContact O-N 2.87Å; V112-T119 HydrophobicContact CG1-CG2 4.25Å; V112-T119 HydrophobicContact CG2-CG2 4Å
113E83.2Confident88.8Confident72 Ų7260.2 Ų60.234%0.33632%0.324SS..EExtended strand (participates in β ladder)trans-87.2100.5173.4-73-171.4-176.800110.7T115 K116 N117 V118 H120E113-T115 PolarHBondContact O-N 2.99Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-K116 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-N 3.48Å; E113-V118 PolarHBondContact N-O 3.42Å; E113-H120 IonicContact OE1-CD2 3.62Å; E113-H120 IonicContact OE1-NE2 2.74Å
114N80Confident89Confident137 Ų13760.5 Ų60.573%0.73333%0.326SS*.THydrogen-bonded Turntrans-58-24.8-178.8-69.5-8.3000114.6V112 K116V112-N114 PolarHBondContact O-N 2.87Å; N114-K116 VanDerWaalsContact C-N 3.32Å
115T80.9Confident89.1Confident126 Ų12658.1 Ų58.177%0.77331%0.314SS*.THydrogen-bonded Turntrans-74.3-24.2-177.754.40000113.1E113E113-T115 PolarHBondContact O-N 2.99Å; E113-T115 VanDerWaalsContact O-N 3.1Å
116K78.2Confident89.2Confident148 Ų14861.2 Ų61.264%0.64333%0.329SS*.THydrogen-bonded Turntrans-125.2-3-175.4-65.5179.5-178.81700113.7E113 N114 V118E113-K116 PolarHBondContact O-N 3.37Å; N114-K116 VanDerWaalsContact C-N 3.32Å; K116-V118 HydrophobicContact CB-CB 4.37Å; K116-V118 HydrophobicContact CB-CG2 3.78Å; K116-V118 PolarHBondContact O-N 3.32Å
117N80.6Confident89.1Confident142 Ų14258.7 Ų58.776%0.75932%0.317SS*.THydrogen-bonded Turntrans50.340.2-169.7-67.3-17.8000112E113E113-N117 PolarHBondContact O-N 3.48Å
118V84.9Confident89Confident59 Ų5963 Ų6336%0.35833%0.333SS..EExtended strand (participates in β ladder)trans-106.7127.5177.4177.10000108.3E113 K116E113-V118 PolarHBondContact N-O 3.42Å; K116-V118 HydrophobicContact CB-CB 4.37Å; K116-V118 HydrophobicContact CB-CG2 3.78Å; K116-V118 PolarHBondContact O-N 3.32Å
119T86.3Confident89.1Confident82 Ų8263.1 Ų63.150%0.50333%0.334SS..EExtended strand (participates in β ladder)trans-95.6133.6171.959.40000110E110 V112E110-T119 WeakPolarHBondContact OE1-CB 3.34Å; V112-T119 HydrophobicContact CG1-CG2 4.25Å; V112-T119 HydrophobicContact CG2-CG2 4Å
120H88Confident89.2Confident35 Ų3562.2 Ų62.216%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-106.598.4173.1-69.5-44.8000108.2V54 E110 I111 E113V54-H120 HydrophobicContact CG2-CB 3.79Å; V54-H120 WeakPolarHBondContact CG2-O 2.96Å; E110-H120 WeakPolarHBondContact CA-O 3.47Å; I111-H120 HydrophobicContact CB-CB 4.37Å; I111-H120 PolarHBondContact N-O 3.41Å; I111-H120 PolarHBondContact O-N 2.95Å; E113-H120 IonicContact OE1-CD2 3.62Å; E113-H120 IonicContact OE1-NE2 2.74Å
121G90.8Very high89.3Confident17 Ų1758.7 Ų58.718%0.17531%0.308CS..PPolyproline II helixtrans-63.9145176.700000112.3C52 V54C52-G121 PolarHBondContact SG-O 3.06Å; V54-G121 WeakPolarHBondContact CG2-O 3.42Å
122C93.6Very high89.5Confident10 Ų1057.8 Ų57.87%0.06831%0.306CS..PPolyproline II helixtrans-82.9167.3171.162.30000111.1H17 V54 L107H17-C122 WeakPolarHBondContact CB-O 3.42Å; H17-C122 PolarHBondContact N-O 3.02Å; V54-C122 HydrophobicContact CG1-CB 4.23Å; L107-C122 WeakPolarHBondContact O-CB 3.5Å
123I96Very high89.6Confident0 Ų058.7 Ų58.70%031%0.308CS..EExtended strand (participates in β ladder)trans-90.3118.7174.7-63.6-71.6000108.5H17 F19 F50 C52 L55 Q106 L107H17-I123 HydrophobicContact CB-CD1 3.9Å; F19-I123 HydrophobicContact CD1-CD1 3.88Å; F19-I123 HydrophobicContact CD1-CG2 4.2Å; F19-I123 HydrophobicContact CE1-CG2 3.83Å; F19-I123 HydrophobicContact CZ-CG2 4.47Å; F50-I123 HydrophobicContact CB-CD1 4.33Å; F50-I123 HydrophobicContact CB-CG1 4.41Å; F50-I123 HydrophobicContact CD1-CD1 3.94Å; F50-I123 HydrophobicContact CD1-CG1 4.39Å; F50-I123 HydrophobicContact CD1-CG2 4.5Å; F50-I123 HydrophobicContact CE1-CG2 4.26Å; F50-I123 HydrophobicContact CG-CD1 4.22Å; F50-I123 HydrophobicContact CG-CG1 4.26Å; F50-I123 HydrophobicContact CZ-CG2 4.32Å; C52-I123 HydrophobicContact CB-CD1 4.06Å; C52-I123 HydrophobicContact CB-CG1 3.89Å; L55-I123 HydrophobicContact CD1-CG1 4.02Å; L55-I123 HydrophobicContact CG-CG1 4.35Å; Q106-I123 CarbonylContact C-O 3.55Å; Q106-I123 WeakPolarHBondContact CA-O 3.46Å; L107-I123 HydrophobicContact CB-CB 4.23Å; L107-I123 HydrophobicContact CD1-CB 4.17Å; L107-I123 HydrophobicContact CD1-CG2 3.97Å; L107-I123 PolarHBondContact N-O 3.22Å; L107-I123 PolarHBondContact O-N 2.88Å
124V96.5Very high89.8Confident9 Ų956.6 Ų56.66%0.05531%0.306CS..EExtended strand (participates in β ladder)trans-115.9123.4172.1-169.40000108.9C13 S16 I104 V105 Q106C13-V124 HydrophobicContact CB-CB 4.16Å; C13-V124 HydrophobicContact CB-CG1 3.83Å; C13-V124 PolarHBondContact N-O 2.96Å; C13-V124 VanDerWaalsContact N-O 3.09Å; S16-V124 WeakPolarHBondContact CB-O 3.43Å; S16-V124 PolarHBondContact OG-N 3.29Å; S16-V124 PolarHBondContact OG-O 3.15Å; I104-V124 HydrophobicContact CG2-CG1 3.69Å; V105-V124 CarbonylContact O-C 3.59Å; V105-V124 WeakPolarHBondContact O-CA 3.3Å; Q106-V124 HydrophobicContact CB-CG1 4.5Å; Q106-V124 HydrophobicContact CB-CG2 4.23Å; Q106-V124 HydrophobicContact CG-CG2 4.13Å
125A96.5Very high90.2Very high2 Ų255.7 Ų55.72%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-140140.7-173.800000112.2L10 S11 F19 I104 V105L10-A125 HydrophobicContact CB-CB 4.04Å; L10-A125 HydrophobicContact CD2-CB 3.95Å; L10-A125 HydrophobicContact CG-CB 4.5Å; S11-A125 CarbonylContact O-C 3.53Å; S11-A125 VanDerWaalsContact O-CA 3.23Å; S11-A125 WeakPolarHBondContact O-CA 3.41Å; F19-A125 HydrophobicContact CE1-CB 4.25Å; F19-A125 HydrophobicContact CZ-CB 3.71Å; I104-A125 WeakPolarHBondContact CA-O 3.31Å; V105-A125 PolarHBondContact N-O 2.99Å; V105-A125 PolarHBondContact O-N 2.93Å
126M95.6Very high90.6Very high68 Ų6853 Ų5334%0.33528%0.278SS..EExtended strand (participates in β ladder)trans-84.2127.9168.2-178.371.183.600109.7S11 G102 I104S11-M126 PolarHBondContact N-O 3.19Å; S11-M126 PolarHBondContact O-N 3.22Å; G102-M126 WeakPolarHBondContact CA-SD 3.21Å; I104-M126 HydrophobicContact CD1-CB 4.11Å; I104-M126 HydrophobicContact CD1-CE 3.36Å; I104-M126 HydrophobicContact CD1-CG 4.47Å; I104-M126 HydrophobicContact CD1-SD 3.52Å; I104-M126 VanDerWaalsContact CD1-SD 3.52Å; I104-M126 HydrophobicContact CG1-CE 4.32Å; I104-M126 HydrophobicContact CG1-SD 4.32Å
127L95Very high91Very high5 Ų546.4 Ų46.43%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-79.9135.3174.7-74.2171.3000111.4I8 L10 V99 G102 D103 V105 L129I8-L127 HydrophobicContact CG2-CD2 3.83Å; L10-L127 HydrophobicContact CD2-CD2 3.37Å; L10-L127 HydrophobicContact CD2-CG 4.25Å; V99-L127 HydrophobicContact CB-CD1 3.81Å; V99-L127 HydrophobicContact CG1-CD1 4.17Å; V99-L127 HydrophobicContact CG2-CD1 4.03Å; G102-L127 PolarHBondContact N-O 3.21Å; D103-L127 HydrophobicContact CB-CD1 4.04Å; D103-L127 PolarHBondContact O-N 3.45Å; V105-L127 HydrophobicContact CG2-CD1 3.38Å; V105-L127 HydrophobicContact CG2-CD2 4.3Å; V105-L127 HydrophobicContact CG2-CG 3.71Å; L127-L129 HydrophobicContact CB-CD2 4.33Å; L127-L129 HydrophobicContact CB-CG 4.43Å; L127-L129 HydrophobicContact CD2-CD2 4.13Å
128R94.7Very high91Very high94 Ų9445.3 Ų45.336%0.35524%0.244SC..EExtended strand (participates in β ladder)trans-126.9122.5158.7-76.3-175.5-91.4179.2-8.9109.2I9 S11 Y130I9-R128 HydrophobicContact CB-CB 4.16Å; I9-R128 PolarHBondContact N-O 2.8Å; I9-R128 PolarHBondContact O-N 3.39Å; S11-R128 PolarHBondContact OG-NH2 3.45Å; R128-Y130 HydrophobicContact CB-CE2 3.98Å
129L94.5Very high90.2Very high1 Ų144.5 Ų44.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-117.4133.4-167.9-53175.8000108.8I8 F69 V99 Y100 S101 L127 E136 A137I8-L129 HydrophobicContact CB-CD2 4.17Å; I8-L129 HydrophobicContact CD1-CD2 4.41Å; I8-L129 HydrophobicContact CG1-CD2 3.8Å; I8-L129 HydrophobicContact CG2-CD2 3.78Å; F69-L129 HydrophobicContact CB-CD1 3.82Å; F69-L129 HydrophobicContact CD1-CD2 4.11Å; F69-L129 HydrophobicContact CD2-CB 3.86Å; F69-L129 HydrophobicContact CD2-CD1 3.9Å; F69-L129 HydrophobicContact CD2-CG 4.36Å; F69-L129 HydrophobicContact CE1-CB 4.45Å; F69-L129 HydrophobicContact CE1-CD2 4.5Å; F69-L129 HydrophobicContact CE2-CB 3.8Å; F69-L129 HydrophobicContact CG-CB 4.23Å; F69-L129 HydrophobicContact CG-CD1 3.86Å; F69-L129 HydrophobicContact CG-CD2 4.17Å; F69-L129 HydrophobicContact CG-CG 4.33Å; F69-L129 HydrophobicContact CZ-CB 4.1Å; V99-L129 HydrophobicContact CG2-CD1 4.18Å; V99-L129 VanDerWaalsContact O-CD1 3.3Å; V99-L129 WeakPolarHBondContact O-CD1 3.25Å; Y100-L129 VanDerWaalsContact CA-CD1 3.49Å; S101-L129 WeakPolarHBondContact OG-CB 3.31Å; S101-L129 PolarHBondContact OG-N 2.91Å; S101-L129 PolarHBondContact OG-O 3.41Å; L127-L129 HydrophobicContact CB-CD2 4.33Å; L127-L129 HydrophobicContact CB-CG 4.43Å; L127-L129 HydrophobicContact CD2-CD2 4.13Å; L129-E136 CarbonylContact O-C 2.91Å; L129-E136 VanDerWaalsContact O-CA 3.32Å; L129-E136 WeakPolarHBondContact O-CA 3.12Å; L129-E136 WeakPolarHBondContact O-CG 3.37Å; L129-A137 HydrophobicContact CB-CB 3.91Å; L129-A137 PolarHBondContact O-N 2.92Å
130Y94.3Very high88.9Confident37 Ų3748.9 Ų48.915%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-127.6122.5-178.5-63.9-88.7000109.6M1 A6 C7 I9 F69 R128 M135 E136M1-Y130 HydrophobicContact CE-CD1 4.02Å; M1-Y130 HydrophobicContact CE-CE1 4.33Å; M1-Y130 HydrophobicContact CE-CG 4.45Å; A6-Y130 CarbonylContact C-O 3.59Å; A6-Y130 VanDerWaalsContact CA-O 3.31Å; A6-Y130 WeakPolarHBondContact CA-O 3.44Å; C7-Y130 PolarHBondContact N-O 2.68Å; C7-Y130 PolarHBondContact O-N 3.4Å; I9-Y130 HydrophobicContact CD1-CD2 4.2Å; I9-Y130 HydrophobicContact CD1-CE2 3.5Å; I9-Y130 HydrophobicContact CG1-CD2 4.43Å; I9-Y130 HydrophobicContact CG1-CE2 4.11Å; F69-Y130 WeakPolarHBondContact CZ-O 3.29Å; R128-Y130 HydrophobicContact CB-CE2 3.98Å; Y130-M135 CarbonylContact C-O 3.59Å; Y130-M135 WeakPolarHBondContact CA-O 3.49Å; Y130-E136 HydrophobicContact CD1-CB 4.1Å; Y130-E136 HydrophobicContact CE1-CB 3.85Å; Y130-E136 HydrophobicContact CE1-CG 4.12Å
131H92.5Very high87.7Confident44 Ų4454.5 Ų54.520%0.20427%0.274CS..  trans-63.9163174-65.6-62.5000111.5Y64 G67 F69 N133 G134 M135 A137Y64-H131 AromaticContact CE2-ND1 3.6Å; Y64-H131 AromaticContact CZ-ND1 3.97Å; G67-H131 PolarHBondContact O-CE1 2.9Å; F69-H131 AromaticContact CE2-ND1 3.87Å; H131-N133 WeakPolarHBondContact CB-OD1 3.32Å; H131-N133 PolarHBondContact O-N 3.44Å; H131-G134 PolarHBondContact O-N 3.01Å; H131-M135 PolarHBondContact N-O 2.88Å; H131-A137 VanDerWaalsContact CE1-CB 3.42Å; H131-A137 WeakPolarHBondContact CE1-CB 3.45Å; H131-A137 WeakPolarHBondContact NE2-CA 3.32Å; H131-A137 WeakPolarHBondContact NE2-CB 3.36Å
132P90.8Very high86.1Confident43 Ų4357.5 Ų57.528%0.27929%0.289SS..THydrogen-bonded Turntrans-54.9-23.5176.7-28.736.6000115.3G4 A6 Y64 G134G4-P132 PolarHBondContact N-O 3.09Å; A6-P132 HydrophobicContact CB-CG 4.16Å; Y64-P132 HydrophobicContact CD1-CG 4.49Å; Y64-P132 HydrophobicContact CE1-CG 3.79Å; P132-G134 PolarHBondContact O-N 3.16Å
133N88.8Confident84.6Confident102 Ų10257.9 Ų57.955%0.54529%0.292SS..THydrogen-bonded Turntrans-81.11.117666.75.1000113.7H131 M135H131-N133 WeakPolarHBondContact CB-OD1 3.32Å; H131-N133 PolarHBondContact O-N 3.44Å; N133-M135 VanDerWaalsContact C-N 3.28Å; N133-M135 PolarHBondContact ND2-SD 3.13Å; N133-M135 PolarHBondContact O-N 3.1Å; N133-M135 VanDerWaalsContact OD1-CB 3.24Å; N133-M135 WeakPolarHBondContact OD1-CB 3.43Å; N133-M135 PolarHBondContact OD1-N 3.32Å
134G86.7Confident83.1Confident28 Ų2860.9 Ų60.929%0.28931%0.311SS..SBendtrans81.1-2.9-177.900000115.1H131 P132H131-G134 PolarHBondContact O-N 3.01Å; P132-G134 PolarHBondContact O-N 3.16Å
135M89.4Confident81.9Confident117 Ų11766.7 Ų66.758%0.57634%0.337SS*.  trans-74.4139.8175.1-66.2178.847.300110.9Y130 H131 N133 A137Y130-M135 CarbonylContact C-O 3.59Å; Y130-M135 WeakPolarHBondContact CA-O 3.49Å; H131-M135 PolarHBondContact N-O 2.88Å; N133-M135 VanDerWaalsContact C-N 3.28Å; N133-M135 PolarHBondContact ND2-SD 3.13Å; N133-M135 PolarHBondContact O-N 3.1Å; N133-M135 VanDerWaalsContact OD1-CB 3.24Å; N133-M135 WeakPolarHBondContact OD1-CB 3.43Å; N133-M135 PolarHBondContact OD1-N 3.32Å; M135-A137 PolarHBondContact O-N 3.3Å
136E89.5Confident80.9Confident71 Ų7171.7 Ų71.733%0.33236%0.36SS..BIsolated β-bridgetrans-68.3128.6171.9-168.9163.7-176.100110L129 Y130 L138L129-E136 CarbonylContact O-C 2.91Å; L129-E136 VanDerWaalsContact O-CA 3.32Å; L129-E136 WeakPolarHBondContact O-CA 3.12Å; L129-E136 WeakPolarHBondContact O-CG 3.37Å; Y130-E136 HydrophobicContact CD1-CB 4.1Å; Y130-E136 HydrophobicContact CE1-CB 3.85Å; Y130-E136 HydrophobicContact CE1-CG 4.12Å; E136-L138 HydrophobicContact CB-CD2 4.42Å; E136-L138 HydrophobicContact CB-CG 4.3Å; E136-L138 HydrophobicContact CG-CD2 3.85Å; E136-L138 HydrophobicContact CG-CG 4.18Å; E136-L138 PolarHBondContact O-N 2.9Å
137A86.7Confident79.8Confident9 Ų969.3 Ų69.37%0.07435%0.351CS..  trans-78.876.8175.700000108.7F69 S101 L129 H131 M135F69-A137 HydrophobicContact CD2-CB 3.94Å; F69-A137 HydrophobicContact CE2-CB 3.66Å; S101-A137 WeakPolarHBondContact CB-O 3.24Å; S101-A137 PolarHBondContact N-O 2.98Å; S101-A137 PolarHBondContact OG-O 3.35Å; L129-A137 HydrophobicContact CB-CB 3.91Å; L129-A137 PolarHBondContact O-N 2.92Å; H131-A137 VanDerWaalsContact CE1-CB 3.42Å; H131-A137 WeakPolarHBondContact CE1-CB 3.45Å; H131-A137 WeakPolarHBondContact NE2-CA 3.32Å; H131-A137 WeakPolarHBondContact NE2-CB 3.36Å; M135-A137 PolarHBondContact O-N 3.3Å
138L79.2Confident79Confident119 Ų11972.2 Ų72.262%0.62337%0.369SS*.BIsolated β-bridgetrans-69.7154177.8-64.1171.7000110.4E136E136-L138 HydrophobicContact CB-CD2 4.42Å; E136-L138 HydrophobicContact CB-CG 4.3Å; E136-L138 HydrophobicContact CG-CD2 3.85Å; E136-L138 HydrophobicContact CG-CG 4.18Å; E136-L138 PolarHBondContact O-N 2.9Å
139K68.8Low78.4Confident41 Ų4173.6 Ų73.618%0.17838%0.38CS..PPolyproline II helixtrans-52.6142.6174.3-79.3-176.8178.9-167.60111.1Y100 D103 D141 S143 T144Y100-K139 HydrophobicContact CD1-CG 4.45Å; Y100-K139 HydrophobicContact CG-CG 3.9Å; D103-K139 WeakPolarHBondContact OD1-CE 3.29Å; D103-K139 IonicContact OD1-NZ 3.54Å; D103-K139 PolarHBondContact OD1-NZ 3.43Å; K139-D141 PolarHBondContact O-N 3.33Å; K139-S143 WeakPolarHBondContact CB-OG 3.45Å; K139-S143 WeakPolarHBondContact CD-OG 3.31Å; K139-S143 WeakPolarHBondContact CG-OG 3.34Å; K139-T144 WeakPolarHBondContact CD-OG1 3.42Å
140R58.9Low77.9Confident175 Ų17578.9 Ų78.966%0.6641%0.405SS*.PPolyproline II helixtrans-62.4131.8151.4-68.2-176.8-179.1174.24.6106.6T142 S143R140-T142 PolarHBondContact O-N 3.03Å; R140-S143 PolarHBondContact O-N 2.91Å; R140-S143 PolarHBondContact O-OG 3.09Å
141D62.3Low77.2Confident152 Ų15280.2 Ų80.281%0.81342%0.418SS*.Hα-helixtrans-46.4-27.3-175.9-68.8-43.7000113.7K139K139-D141 PolarHBondContact O-N 3.33Å
142T57.8Low76.8Confident81 Ų8186.2 Ų86.250%0.49744%0.439SS..Hα-helixtrans-68.5-38.6178.853.50000115R140 T144 Q145 E146R140-T142 PolarHBondContact O-N 3.03Å; T142-T144 PolarHBondContact O-N 2.93Å; T142-Q145 WeakPolarHBondContact O-CB 3.37Å; T142-Q145 PolarHBondContact O-N 3.44Å; T142-E146 WeakPolarHBondContact O-CG 3.35Å; T142-E146 PolarHBondContact O-N 2.7Å
143S61.6Low76.8Confident18 Ų1888.3 Ų88.313%0.12645%0.445CS..Hα-helixtrans-69.9-32.8-173.262.50000113.1K139 R140 Q145 A147K139-S143 WeakPolarHBondContact CB-OG 3.45Å; K139-S143 WeakPolarHBondContact CD-OG 3.31Å; K139-S143 WeakPolarHBondContact CG-OG 3.34Å; R140-S143 PolarHBondContact O-N 2.91Å; R140-S143 PolarHBondContact O-OG 3.09Å; S143-Q145 VanDerWaalsContact C-N 3.35Å; S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.46Å; S143-A147 PolarHBondContact O-N 2.93Å
144T65.3Low76.7Confident63 Ų6386.2 Ų86.239%0.38744%0.442SS..Hα-helixtrans-65-43.7173.6-46.10000110.1K139 T142 A147 T148K139-T144 WeakPolarHBondContact CD-OG1 3.42Å; T142-T144 PolarHBondContact O-N 2.93Å; T144-A147 PolarHBondContact O-N 2.99Å; T144-T148 HydrophobicContact CG2-CG2 4.47Å; T144-T148 WeakPolarHBondContact O-CB 3.49Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.34Å; T144-T148 PolarHBondContact O-N 3.04Å; T144-T148 PolarHBondContact O-OG1 2.82Å; T144-T148 VanDerWaalsContact O-OG1 3.05Å
145Q72.3Confident77Confident130 Ų13089.8 Ų89.861%0.60745%0.454SS*.Hα-helixtrans-61.5-48.6178.2-174.6176.2-14.100110.8T142 S143 A147 T148 E149T142-Q145 WeakPolarHBondContact O-CB 3.37Å; T142-Q145 PolarHBondContact O-N 3.44Å; S143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-A147 PolarHBondContact O-N 3.45Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.19Å; Q145-T148 PolarHBondContact O-N 2.8Å; Q145-T148 PolarHBondContact O-OG1 2.95Å; Q145-E149 WeakPolarHBondContact O-CB 3.4Å; Q145-E149 PolarHBondContact O-N 2.9Å
146E75.3Confident77Confident107 Ų10787.6 Ų87.650%0.544%0.444SS..Hα-helixtrans-60.6-45.4177.3-71172.4-172.200112.4T142 E149 Q150T142-E146 WeakPolarHBondContact O-CG 3.35Å; T142-E146 PolarHBondContact O-N 2.7Å; E146-E149 PolarHBondContact O-N 3.02Å; E146-Q150 VanDerWaalsContact O-CG 3.32Å; E146-Q150 WeakPolarHBondContact O-CG 3.36Å; E146-Q150 PolarHBondContact O-N 3.46Å
147A71.7Confident77Confident19 Ų1987.3 Ų87.316%0.15745%0.445CS..Hα-helixtrans-63.4-43.4177.400000111.5S143 T144 Q145 Q150 C151S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.46Å; S143-A147 PolarHBondContact O-N 2.93Å; T144-A147 PolarHBondContact O-N 2.99Å; Q145-A147 PolarHBondContact O-N 3.45Å; A147-Q150 PolarHBondContact O-N 3.12Å; A147-C151 PolarHBondContact O-N 3.11Å; A147-C151 PolarHBondContact O-SG 2.9Å; A147-C151 VanDerWaalsContact O-SG 3.36Å
148T77.6Confident77.3Confident65 Ų6592.3 Ų92.340%0.39947%0.467SS..Hα-helixtrans-61.9-46174.8560000110.9T144 Q145 Q150 C151 W152T144-T148 HydrophobicContact CG2-CG2 4.47Å; T144-T148 WeakPolarHBondContact O-CB 3.49Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.34Å; T144-T148 PolarHBondContact O-N 3.04Å; T144-T148 PolarHBondContact O-OG1 2.82Å; T144-T148 VanDerWaalsContact O-OG1 3.05Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.19Å; Q145-T148 PolarHBondContact O-N 2.8Å; Q145-T148 PolarHBondContact O-OG1 2.95Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.23Å; T148-C151 PolarHBondContact O-N 3.17Å; T148-C151 VanDerWaalsContact O-N 3.16Å; T148-W152 PolarHBondContact O-N 2.08Å
149E82.5Confident77.9Confident124 Ų12491.6 Ų91.658%0.57946%0.463SS*.Hα-helixtrans-60.8-40.8179.1-173.8169.1-163.300112Q145 E146 W152 Q153Q145-E149 WeakPolarHBondContact O-CB 3.4Å; Q145-E149 PolarHBondContact O-N 2.9Å; E146-E149 PolarHBondContact O-N 3.02Å; E149-W152 PolarHBondContact O-N 3.47Å; E149-Q153 VanDerWaalsContact O-CB 3.31Å; E149-Q153 WeakPolarHBondContact O-CB 3.42Å; E149-Q153 PolarHBondContact O-N 3.1Å
150Q84.3Confident79.1Confident112 Ų11296.7 Ų96.752%0.52348%0.482SS..Hα-helixtrans-63.3-44173.5-73.117626.900112.2E146 A147 T148 Q153 A154E146-Q150 VanDerWaalsContact O-CG 3.32Å; E146-Q150 WeakPolarHBondContact O-CG 3.36Å; E146-Q150 PolarHBondContact O-N 3.46Å; A147-Q150 PolarHBondContact O-N 3.12Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.23Å; Q150-Q153 PolarHBondContact O-N 3.43Å; Q150-A154 WeakPolarHBondContact O-CB 3.12Å; Q150-A154 PolarHBondContact O-N 3.27Å
151C80.2Confident81Confident64 Ų6493.9 Ų93.943%0.43248%0.479SS..Hα-helixtrans-62.3-44.1175.1-70.20000111.8A147 T148 Q153 A154 L155A147-C151 PolarHBondContact O-N 3.11Å; A147-C151 PolarHBondContact O-SG 2.9Å; A147-C151 VanDerWaalsContact O-SG 3.36Å; T148-C151 PolarHBondContact O-N 3.17Å; T148-C151 VanDerWaalsContact O-N 3.16Å; C151-Q153 VanDerWaalsContact C-N 3.33Å; C151-Q153 PolarHBondContact O-N 2.85Å; C151-A154 PolarHBondContact O-N 3.01Å; C151-L155 WeakPolarHBondContact O-CG 3.23Å; C151-L155 PolarHBondContact O-N 3.44Å
152W83.9Confident82.5Confident171 Ų17190.9 Ų90.965%0.64846%0.463SS*.Hα-helixtrans-60.3-43.4175.3-76.6110.5000111.6T148 E149 L155 I156T148-W152 PolarHBondContact O-N 2.08Å; E149-W152 PolarHBondContact O-N 3.47Å; W152-L155 PolarHBondContact O-N 3.37Å; W152-I156 WeakPolarHBondContact O-CD1 3.49Å; W152-I156 VanDerWaalsContact O-CG1 3.26Å; W152-I156 WeakPolarHBondContact O-CG1 3.42Å; W152-I156 PolarHBondContact O-N 3.04Å
153Q89.7Confident84.2Confident86 Ų8689.4 Ų89.440%0.40246%0.456SS..Hα-helixtrans-64.2-43.6178.6-173.354.352.400111.7E149 Q150 C151 L155 I156 D157E149-Q153 VanDerWaalsContact O-CB 3.31Å; E149-Q153 WeakPolarHBondContact O-CB 3.42Å; E149-Q153 PolarHBondContact O-N 3.1Å; Q150-Q153 PolarHBondContact O-N 3.43Å; C151-Q153 VanDerWaalsContact C-N 3.33Å; C151-Q153 PolarHBondContact O-N 2.85Å; Q153-L155 PolarHBondContact O-N 3.35Å; Q153-I156 PolarHBondContact O-N 3.3Å; Q153-D157 VanDerWaalsContact NE2-CG 3.29Å; Q153-D157 PolarHBondContact NE2-OD1 2.91Å; Q153-D157 VanDerWaalsContact NE2-OD1 3.11Å; Q153-D157 PolarHBondContact NE2-OD2 3.47Å; Q153-D157 PolarHBondContact O-N 2.92Å
154A87.6Confident86Confident59 Ų5994.7 Ų94.749%0.48847%0.473SS..Hα-helixtrans-61.1-42.4176.200000112.3Q150 C151 D157 E158Q150-A154 WeakPolarHBondContact O-CB 3.12Å; Q150-A154 PolarHBondContact O-N 3.27Å; C151-A154 PolarHBondContact O-N 3.01Å; A154-D157 PolarHBondContact O-N 3.14Å; A154-E158 WeakPolarHBondContact O-CB 3.26Å; A154-E158 PolarHBondContact O-N 3.26Å
155L91.6Very high87.4Confident102 Ų10295.9 Ų95.953%0.53448%0.476SS..Hα-helixtrans-63.5-40.9175.7-73.4169000112.3C151 W152 Q153 D157 E158 D159C151-L155 WeakPolarHBondContact O-CG 3.23Å; C151-L155 PolarHBondContact O-N 3.44Å; W152-L155 PolarHBondContact O-N 3.37Å; Q153-L155 PolarHBondContact O-N 3.35Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-E158 PolarHBondContact O-N 2.85Å; L155-D159 PolarHBondContact O-N 2.84Å
156I90.4Very high88.5Confident72 Ų7295.5 Ų95.537%0.36947%0.474SS..Hα-helixtrans-63.5-42.1175.5-70.1163.9000110.8W152 Q153 D159 R160W152-I156 WeakPolarHBondContact O-CD1 3.49Å; W152-I156 VanDerWaalsContact O-CG1 3.26Å; W152-I156 WeakPolarHBondContact O-CG1 3.42Å; W152-I156 PolarHBondContact O-N 3.04Å; Q153-I156 PolarHBondContact O-N 3.3Å; I156-D159 PolarHBondContact O-N 2.81Å; I156-R160 HydrophobicContact CG2-CG 4.47Å; I156-R160 WeakPolarHBondContact O-CB 3.3Å; I156-R160 VanDerWaalsContact O-CG 3.23Å; I156-R160 WeakPolarHBondContact O-CG 3.36Å; I156-R160 PolarHBondContact O-N 2.8Å
157D90.1Very high89.3Confident64 Ų6493.6 Ų93.634%0.34247%0.47SS..Hα-helixtrans-70.6-35.8-179.5-69.3-30.7000111.9Q153 A154 L155 R160 L161Q153-D157 VanDerWaalsContact NE2-CG 3.29Å; Q153-D157 PolarHBondContact NE2-OD1 2.91Å; Q153-D157 VanDerWaalsContact NE2-OD1 3.11Å; Q153-D157 PolarHBondContact NE2-OD2 3.47Å; Q153-D157 PolarHBondContact O-N 2.92Å; A154-D157 PolarHBondContact O-N 3.14Å; L155-D157 VanDerWaalsContact C-N 3.34Å; D157-R160 PolarHBondContact O-N 3.42Å; D157-R160 IonicContact OD1-NH1 3.51Å; D157-R160 PolarHBondContact OD1-NH1 2.77Å; D157-L161 WeakPolarHBondContact O-CB 3.18Å; D157-L161 WeakPolarHBondContact O-CG 3.44Å; D157-L161 PolarHBondContact O-N 3.46Å
158E92.1Very high90.4Very high115 Ų11596.1 Ų96.154%0.53748%0.48SS..Hα-helixtrans-60.1-49.8170.6-174.6177179.700111.6A154 L155 R160 L161 L162A154-E158 WeakPolarHBondContact O-CB 3.26Å; A154-E158 PolarHBondContact O-N 3.26Å; L155-E158 PolarHBondContact O-N 2.85Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.02Å; E158-L161 PolarHBondContact O-N 2.86Å; E158-L161 VanDerWaalsContact O-N 3.14Å; E158-L162 HydrophobicContact CG-CD1 4.19Å; E158-L162 WeakPolarHBondContact O-CG 3.17Å; E158-L162 PolarHBondContact O-N 3.11Å
159D92.5Very high91.1Very high103 Ų10398.9 Ų98.955%0.55149%0.488SS*.Hα-helixtrans-60.5-40.5178-176.873.5000112.4L155 I156 L161 L162 S163L155-D159 PolarHBondContact O-N 2.84Å; I156-D159 PolarHBondContact O-N 2.81Å; D159-L161 PolarHBondContact O-N 2.84Å; D159-L162 PolarHBondContact O-N 2.87Å; D159-S163 WeakPolarHBondContact O-CB 3.41Å; D159-S163 PolarHBondContact O-N 3.17Å; D159-S163 PolarHBondContact O-OG 2.94Å
160R94.3Very high91.4Very high149 Ų14996.1 Ų96.156%0.56248%0.483SS*.Hα-helixtrans-62.2-41.7174.2-76.6170.4175.4174.6-1.1112.4I156 D157 E158 R164I156-R160 HydrophobicContact CG2-CG 4.47Å; I156-R160 WeakPolarHBondContact O-CB 3.3Å; I156-R160 VanDerWaalsContact O-CG 3.23Å; I156-R160 WeakPolarHBondContact O-CG 3.36Å; I156-R160 PolarHBondContact O-N 2.8Å; D157-R160 PolarHBondContact O-N 3.42Å; D157-R160 IonicContact OD1-NH1 3.51Å; D157-R160 PolarHBondContact OD1-NH1 2.77Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.02Å; R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 PolarHBondContact O-N 3.19Å
161L97.1Very high91.6Very high116 Ų11695.6 Ų95.661%0.60748%0.481SS*.Hα-helixtrans-68.7-43.2179.1-72172.5000111.2D157 E158 D159 R164 I165D157-L161 WeakPolarHBondContact O-CB 3.18Å; D157-L161 WeakPolarHBondContact O-CG 3.44Å; D157-L161 PolarHBondContact O-N 3.46Å; E158-L161 PolarHBondContact O-N 2.86Å; E158-L161 VanDerWaalsContact O-N 3.14Å; D159-L161 PolarHBondContact O-N 2.84Å; L161-R164 WeakPolarHBondContact O-CB 3.34Å; L161-R164 PolarHBondContact O-N 3.45Å; L161-I165 WeakPolarHBondContact O-CG1 3.23Å; L161-I165 PolarHBondContact O-N 3.39Å
162L95.5Very high92.1Very high89 Ų8998.3 Ų98.347%0.46649%0.49SS..Hα-helixtrans-59.6-51.1174.7-71171.8000111.1E158 D159 R164 I165 E166E158-L162 HydrophobicContact CG-CD1 4.19Å; E158-L162 WeakPolarHBondContact O-CG 3.17Å; E158-L162 PolarHBondContact O-N 3.11Å; D159-L162 PolarHBondContact O-N 2.87Å; L162-R164 PolarHBondContact O-N 2.8Å; L162-I165 WeakPolarHBondContact O-CB 3.1Å; L162-I165 PolarHBondContact O-N 3.22Å; L162-E166 PolarHBondContact O-N 3.03Å
163S93.4Very high92.2Very high50 Ų5095.1 Ų95.135%0.3548%0.482SS..Hα-helixtrans-55.9-36.9175.8-65.30000112.7D159 T167D159-S163 WeakPolarHBondContact O-CB 3.41Å; D159-S163 PolarHBondContact O-N 3.17Å; D159-S163 PolarHBondContact O-OG 2.94Å; S163-T167 PolarHBondContact O-N 3.46Å; S163-T167 VanDerWaalsContact O-N 3.11Å; S163-T167 PolarHBondContact O-OG1 2.9Å
164R97.6Very high91.8Very high129 Ų12994.3 Ų94.349%0.48748%0.483SS..Hα-helixtrans-69.7-40.1177.5-178.257.6175.3140.5-0.1112R160 L161 L162 T167 L168R160-R164 WeakPolarHBondContact O-CB 3.43Å; R160-R164 PolarHBondContact O-N 3.19Å; L161-R164 WeakPolarHBondContact O-CB 3.34Å; L161-R164 PolarHBondContact O-N 3.45Å; L162-R164 PolarHBondContact O-N 2.8Å; R164-T167 PolarHBondContact O-N 2.91Å; R164-L168 HydrophobicContact CG-CD1 4.31Å; R164-L168 WeakPolarHBondContact O-CG 3.1Å; R164-L168 PolarHBondContact O-N 3.08Å
165I96.6Very high91.6Very high87 Ų8798.5 Ų98.545%0.44650%0.496SS..Hα-helixtrans-62.7-50.2176-70.2166.7000109.6L161 L162 T167 L168 E169L161-I165 WeakPolarHBondContact O-CG1 3.23Å; L161-I165 PolarHBondContact O-N 3.39Å; L162-I165 WeakPolarHBondContact O-CB 3.1Å; L162-I165 PolarHBondContact O-N 3.22Å; I165-T167 PolarHBondContact O-N 3.32Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 3.45Å; I165-E169 HydrophobicContact CG2-CG 4.24Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 3.5Å
166E94.1Very high91.3Very high123 Ų12397.8 Ų97.858%0.57550%0.5SS*.Hα-helixtrans-56-40.5177.6-69.2178.5174.600112.2L162 S170L162-E166 PolarHBondContact O-N 3.03Å; E166-S170 WeakPolarHBondContact O-CB 3.33Å; E166-S170 PolarHBondContact O-N 3Å; E166-S170 PolarHBondContact O-OG 2.92Å
167T92.4Very high91Very high67 Ų6798.8 Ų98.841%0.41150%0.502SS..Hα-helixtrans-63.4-44.3175.6-58.60000111.7S163 R164 I165 S170 Q171S163-T167 PolarHBondContact O-N 3.46Å; S163-T167 VanDerWaalsContact O-N 3.11Å; S163-T167 PolarHBondContact O-OG1 2.9Å; R164-T167 PolarHBondContact O-N 2.91Å; I165-T167 PolarHBondContact O-N 3.32Å; T167-S170 PolarHBondContact O-N 2.92Å; T167-Q171 WeakPolarHBondContact O-CB 3.3Å; T167-Q171 VanDerWaalsContact O-CG 3.27Å; T167-Q171 WeakPolarHBondContact O-CG 3.41Å; T167-Q171 PolarHBondContact O-N 2.92Å
168L94.9Very high90.5Very high71 Ų71104 Ų10437%0.37253%0.53SS..Hα-helixtrans-67.2-41.2179.9-74.6171.6000111.6R164 I165 Q171 L172R164-L168 HydrophobicContact CG-CD1 4.31Å; R164-L168 WeakPolarHBondContact O-CG 3.1Å; R164-L168 PolarHBondContact O-N 3.08Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 3.45Å; L168-Q171 PolarHBondContact O-N 3.32Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 2.89Å
169E93.3Very high89.9Confident123 Ų123102.8 Ų102.858%0.57552%0.521SS*.Hα-helixtrans-61.1-45.5174.6-70.4179.6157.100111.1I165 Q171 L172 E173I165-E169 HydrophobicContact CG2-CG 4.24Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 3.5Å; E169-Q171 PolarHBondContact O-N 3.46Å; E169-L172 PolarHBondContact O-N 3.32Å; E169-E173 PolarHBondContact O-N 3.37Å
170S87.4Confident89.6Confident66 Ų66101.2 Ų101.246%0.46252%0.518SS..Hα-helixtrans-61-41.8175.2-60.10000112.3E166 T167 E173 V174E166-S170 WeakPolarHBondContact O-CB 3.33Å; E166-S170 PolarHBondContact O-N 3Å; E166-S170 PolarHBondContact O-OG 2.92Å; T167-S170 PolarHBondContact O-N 2.92Å; S170-E173 PolarHBondContact O-N 3.13Å; S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 2.89Å
171Q89.5Confident89.3Confident102 Ų102100.4 Ų100.448%0.47752%0.521SS..Hα-helixtrans-62.9-42.3176.5-76.5176.4-11.300111.9T167 L168 E169 V174 L175T167-Q171 WeakPolarHBondContact O-CB 3.3Å; T167-Q171 VanDerWaalsContact O-CG 3.27Å; T167-Q171 WeakPolarHBondContact O-CG 3.41Å; T167-Q171 PolarHBondContact O-N 2.92Å; L168-Q171 PolarHBondContact O-N 3.32Å; E169-Q171 PolarHBondContact O-N 3.46Å; Q171-V174 PolarHBondContact O-N 2.97Å; Q171-L175 WeakPolarHBondContact O-CG 3.38Å; Q171-L175 PolarHBondContact O-N 3.03Å
172L89.1Confident89Confident120 Ų120100 Ų10063%0.62852%0.519SS*.Hα-helixtrans-64.6-40.3176.2-72.6171000111.7L168 E169 L175 S176L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 2.89Å; E169-L172 PolarHBondContact O-N 3.32Å; L172-L175 PolarHBondContact O-N 2.92Å; L172-S176 PolarHBondContact O-N 2.82Å; L172-S176 VanDerWaalsContact O-N 3.15Å
173E87.1Confident88.6Confident104 Ų10498 Ų9849%0.48651%0.513SS..Hα-helixtrans-61.8-44.4176.5-170.6-177.4173.700111.6E169 S170 S176 K177E169-E173 PolarHBondContact O-N 3.37Å; S170-E173 PolarHBondContact O-N 3.13Å; E173-S176 PolarHBondContact O-N 2.89Å; E173-S176 PolarHBondContact O-OG 2.92Å; E173-K177 IonicContact OE1-NZ 2.7Å; E173-K177 PolarHBondContact OE1-NZ 2.74Å
174V81.4Confident88.3Confident70 Ų7099.9 Ų99.942%0.42452%0.518SS..Hα-helixtrans-63.7-44.7178170.60000111.4S170 Q171 S176 K177 Y179S170-V174 WeakPolarHBondContact O-CG2 3.49Å; S170-V174 PolarHBondContact O-N 2.89Å; Q171-V174 PolarHBondContact O-N 2.97Å; V174-S176 PolarHBondContact O-N 2.89Å; V174-K177 PolarHBondContact O-N 3.03Å; V174-K177 VanDerWaalsContact O-N 3.08Å; V174-Y179 HydrophobicContact CB-CE2 4.26Å; V174-Y179 HydrophobicContact CG1-CD2 4.21Å; V174-Y179 HydrophobicContact CG1-CE2 3.73Å; V174-Y179 HydrophobicContact CG2-CE2 4.46Å
175L82.4Confident88Confident146 Ų14698.6 Ų98.676%0.76452%0.516SS*.Hα-helixtrans-63.3-22178.2-72.6172.9000113.2Q171 L172 K177Q171-L175 WeakPolarHBondContact O-CG 3.38Å; Q171-L175 PolarHBondContact O-N 3.03Å; L172-L175 PolarHBondContact O-N 2.92Å; L175-K177 VanDerWaalsContact C-N 3.34Å
176S87Confident87.7Confident88 Ų8899.7 Ų99.762%0.61552%0.523SS*.THydrogen-bonded Turntrans-78.8-13.6176.2790000114.2L172 E173 V174L172-S176 PolarHBondContact O-N 2.82Å; L172-S176 VanDerWaalsContact O-N 3.15Å; E173-S176 PolarHBondContact O-N 2.89Å; E173-S176 PolarHBondContact O-OG 2.92Å; V174-S176 PolarHBondContact O-N 2.89Å
177K83.1Confident87.4Confident93 Ų9397 Ų9740%0.40451%0.51SS..SBendtrans-110.8139.8-173.5-65.5174.2-173.8171.60111.6E173 V174 L175 Y179E173-K177 IonicContact OE1-NZ 2.7Å; E173-K177 PolarHBondContact OE1-NZ 2.74Å; V174-K177 PolarHBondContact O-N 3.03Å; V174-K177 VanDerWaalsContact O-N 3.08Å; L175-K177 VanDerWaalsContact C-N 3.34Å; K177-Y179 HydrophobicContact CB-CD2 4.06Å; K177-Y179 HydrophobicContact CB-CE2 3.58Å; K177-Y179 HydrophobicContact CD-CE2 4.3Å; K177-Y179 WeakPolarHBondContact O-CD2 3.32Å; K177-Y179 PolarHBondContact O-N 3.11Å
178N79.4Confident87.3Confident174 Ų17499.2 Ų99.293%0.9352%0.519SS*.  trans-84.596.4173.6-77.210.7000110.8
179Y80.4Confident87.2Confident88 Ų88101.6 Ų101.635%0.34553%0.532SS..  trans-82.3146.1176.4-72.8-90.6000112.9V174 K177 L184V174-Y179 HydrophobicContact CB-CE2 4.26Å; V174-Y179 HydrophobicContact CG1-CD2 4.21Å; V174-Y179 HydrophobicContact CG1-CE2 3.73Å; V174-Y179 HydrophobicContact CG2-CE2 4.46Å; K177-Y179 HydrophobicContact CB-CD2 4.06Å; K177-Y179 HydrophobicContact CB-CE2 3.58Å; K177-Y179 HydrophobicContact CD-CE2 4.3Å; K177-Y179 WeakPolarHBondContact O-CD2 3.32Å; K177-Y179 PolarHBondContact O-N 3.11Å; Y179-L184 HydrophobicContact CD1-CD2 4.39Å; Y179-L184 HydrophobicContact CG-CD2 4.05Å
180S85.4Confident87.2Confident71 Ų71100.8 Ų100.850%0.49752%0.523SS..  trans-86.6157.216665.80000111.3D182 S183 L184S180-D182 VanDerWaalsContact C-N 3.29Å; S180-D182 PolarHBondContact O-N 2.99Å; S180-S183 WeakPolarHBondContact O-CB 3.48Å; S180-S183 PolarHBondContact O-N 3.33Å; S180-S183 VanDerWaalsContact O-N 3.1Å; S180-S183 WeakPolarHBondContact OG-CB 3.14Å; S180-S183 PolarHBondContact OG-N 2.83Å; S180-L184 WeakPolarHBondContact O-CG 3.28Å; S180-L184 PolarHBondContact O-N 2.96Å
181E88.9Confident87.4Confident132 Ų132101.7 Ų101.762%0.61752%0.523SS*.Hα-helixtrans-56.7-41.7179-168.7-171.115000112.4L184 K185E181-L184 WeakPolarHBondContact O-CB 3.47Å; E181-L184 PolarHBondContact O-N 2.8Å; E181-K185 WeakPolarHBondContact O-CG 3.28Å; E181-K185 PolarHBondContact O-N 2.82Å; E181-K185 WeakPolarHBondContact OE1-CE 3.17Å; E181-K185 IonicContact OE1-NZ 2.71Å; E181-K185 PolarHBondContact OE1-NZ 3.45Å
182D91Very high87.6Confident107 Ų107100.7 Ų100.757%0.57252%0.524SS*.Hα-helixtrans-67.7-36177.8-65.6-35.7000112.3S180 L184 K185 N186S180-D182 VanDerWaalsContact C-N 3.29Å; S180-D182 PolarHBondContact O-N 2.99Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 2.81Å; D182-K185 PolarHBondContact O-N 3.03Å; D182-N186 PolarHBondContact O-N 2.84Å; D182-N186 PolarHBondContact O-ND2 2.99Å
183S87.2Confident87.9Confident47 Ų4798.2 Ų98.233%0.32952%0.516SS..Hα-helixtrans-64.1-39173.3-171.40000111.3S180 E187S180-S183 WeakPolarHBondContact O-CB 3.48Å; S180-S183 PolarHBondContact O-N 3.33Å; S180-S183 VanDerWaalsContact O-N 3.1Å; S180-S183 WeakPolarHBondContact OG-CB 3.14Å; S180-S183 PolarHBondContact OG-N 2.83Å; S183-E187 WeakPolarHBondContact O-CB 3.34Å; S183-E187 PolarHBondContact O-N 3.4Å; S183-E187 VanDerWaalsContact O-N 3.08Å
184L87.1Confident88.3Confident90 Ų9097 Ų9747%0.47151%0.51SS..Hα-helixtrans-66.4-40.1175.8-67.7171.6000111.7Y179 S180 E181 D182 E187 L188Y179-L184 HydrophobicContact CD1-CD2 4.39Å; Y179-L184 HydrophobicContact CG-CD2 4.05Å; S180-L184 WeakPolarHBondContact O-CG 3.28Å; S180-L184 PolarHBondContact O-N 2.96Å; E181-L184 WeakPolarHBondContact O-CB 3.47Å; E181-L184 PolarHBondContact O-N 2.8Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 2.81Å; L184-E187 PolarHBondContact O-N 2.82Å; L184-L188 VanDerWaalsContact O-CB 3.32Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 PolarHBondContact O-N 3.09Å
185K90.3Very high89Confident101 Ų101100.8 Ų100.844%0.43952%0.521SS..Hα-helixtrans-62.9-45.8176.3-73.7173-174.7159.10112.3E181 D182 E187 L188 L189E181-K185 WeakPolarHBondContact O-CG 3.28Å; E181-K185 PolarHBondContact O-N 2.82Å; E181-K185 WeakPolarHBondContact OE1-CE 3.17Å; E181-K185 IonicContact OE1-NZ 2.71Å; E181-K185 PolarHBondContact OE1-NZ 3.45Å; D182-K185 PolarHBondContact O-N 3.03Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 3.37Å; K185-L188 PolarHBondContact O-N 3.22Å; K185-L189 WeakPolarHBondContact O-CG 3.35Å; K185-L189 PolarHBondContact O-N 3.37Å
186N90.3Very high89.6Confident111 Ų11196.4 Ų96.459%0.59451%0.506SS*.Hα-helixtrans-62.3-41.7177.5-73.8-23.3000111.6D182 L189 R190D182-N186 PolarHBondContact O-N 2.84Å; D182-N186 PolarHBondContact O-ND2 2.99Å; N186-L189 PolarHBondContact O-N 3Å; N186-R190 WeakPolarHBondContact O-CB 3.37Å; N186-R190 PolarHBondContact O-N 3.36Å
187E88.4Confident90Very high66 Ų6697.2 Ų97.231%0.30850%0.504SS..Hα-helixtrans-65.3-40.4176.7-176.861.8-176.600111.9S183 L184 K185 L189 R190 L191S183-E187 WeakPolarHBondContact O-CB 3.34Å; S183-E187 PolarHBondContact O-N 3.4Å; S183-E187 VanDerWaalsContact O-N 3.08Å; L184-E187 PolarHBondContact O-N 2.82Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 3.37Å; E187-L189 PolarHBondContact O-N 3.04Å; E187-R190 WeakPolarHBondContact O-CB 3.34Å; E187-R190 PolarHBondContact O-N 3.18Å; E187-R190 IonicContact OE1-CZ 3.44Å; E187-R190 IonicContact OE1-NE 3.6Å; E187-R190 IonicContact OE1-NH2 2.65Å; E187-R190 PolarHBondContact OE1-NH2 2.94Å; E187-R190 IonicContact OE2-CZ 2.64Å; E187-R190 IonicContact OE2-NE 2.83Å; E187-R190 PolarHBondContact OE2-NE 2.89Å; E187-R190 IonicContact OE2-NH2 3.73Å; E187-R190 PolarHBondContact OE2-NH2 2.73Å; E187-L191 HydrophobicContact CG-CD1 4.05Å; E187-L191 HydrophobicContact CG-CG 4.42Å; E187-L191 WeakPolarHBondContact O-CB 3.19Å; E187-L191 VanDerWaalsContact O-CG 3.27Å; E187-L191 WeakPolarHBondContact O-CG 3.35Å; E187-L191 PolarHBondContact O-N 2.96Å
188L89.7Confident90.6Very high114 Ų11499.4 Ų99.460%0.59752%0.517SS*.Hα-helixtrans-66.8-38.3178.3-155.1150.5000111.9L184 K185 T192L184-L188 VanDerWaalsContact O-CB 3.32Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 PolarHBondContact O-N 3.09Å; K185-L188 PolarHBondContact O-N 3.22Å; L188-T192 WeakPolarHBondContact O-CB 3.44Å; L188-T192 PolarHBondContact O-N 2.96Å; L188-T192 PolarHBondContact O-OG1 2.93Å
189L93.5Very high91.4Very high121 Ų12195.7 Ų95.763%0.63449%0.494SS*.Hα-helixtrans-63.9-44.9172-74.4171.3000111.8K185 N186 E187 T192 S193K185-L189 WeakPolarHBondContact O-CG 3.35Å; K185-L189 PolarHBondContact O-N 3.37Å; N186-L189 PolarHBondContact O-N 3Å; E187-L189 PolarHBondContact O-N 3.04Å; L189-T192 PolarHBondContact O-N 3.07Å; L189-S193 PolarHBondContact O-N 2.92Å
190R92.9Very high92.1Very high106 Ų10694.4 Ų94.440%0.450%0.498SS..Hα-helixtrans-59.1-52.2175.9-173.7-172.272.983.74.1111.2N186 E187 T192 S193 E194N186-R190 WeakPolarHBondContact O-CB 3.37Å; N186-R190 PolarHBondContact O-N 3.36Å; E187-R190 WeakPolarHBondContact O-CB 3.34Å; E187-R190 PolarHBondContact O-N 3.18Å; E187-R190 IonicContact OE1-CZ 3.44Å; E187-R190 IonicContact OE1-NE 3.6Å; E187-R190 IonicContact OE1-NH2 2.65Å; E187-R190 PolarHBondContact OE1-NH2 2.94Å; E187-R190 IonicContact OE2-CZ 2.64Å; E187-R190 IonicContact OE2-NE 2.83Å; E187-R190 PolarHBondContact OE2-NE 2.89Å; E187-R190 IonicContact OE2-NH2 3.73Å; E187-R190 PolarHBondContact OE2-NH2 2.73Å; R190-T192 VanDerWaalsContact C-N 3.26Å; R190-T192 PolarHBondContact O-N 2.94Å; R190-S193 WeakPolarHBondContact O-CB 3.49Å; R190-S193 PolarHBondContact O-N 2.82Å; R190-S193 VanDerWaalsContact O-N 3.12Å; R190-E194 WeakPolarHBondContact CG-OE1 3.43Å; R190-E194 IonicContact CZ-OE1 2.64Å; R190-E194 IonicContact CZ-OE2 3.52Å; R190-E194 IonicContact NH1-OE1 2.65Å; R190-E194 PolarHBondContact NH1-OE1 3.19Å; R190-E194 IonicContact NH1-OE2 2.61Å; R190-E194 PolarHBondContact NH1-OE2 3.39Å; R190-E194 IonicContact NH2-OE2 3.2Å; R190-E194 PolarHBondContact O-N 2.88Å
191L91.7Very high92.6Very high85 Ų8593.7 Ų93.745%0.44550%0.496SS..Hα-helixtrans-60.6-34.7178.1-71.4173.7000112.3E187 K195E187-L191 HydrophobicContact CG-CD1 4.05Å; E187-L191 HydrophobicContact CG-CG 4.42Å; E187-L191 WeakPolarHBondContact O-CB 3.19Å; E187-L191 VanDerWaalsContact O-CG 3.27Å; E187-L191 WeakPolarHBondContact O-CG 3.35Å; E187-L191 PolarHBondContact O-N 2.96Å; L191-K195 WeakPolarHBondContact O-CB 3.42Å; L191-K195 PolarHBondContact O-N 3.4Å
192T93.8Very high92.9Very high81 Ų8190 Ų9050%0.49749%0.488SS..Hα-helixtrans-67.5-42.1175.5-58.10000111.6L188 L189 R190 A196L188-T192 WeakPolarHBondContact O-CB 3.44Å; L188-T192 PolarHBondContact O-N 2.96Å; L188-T192 PolarHBondContact O-OG1 2.93Å; L189-T192 PolarHBondContact O-N 3.07Å; R190-T192 VanDerWaalsContact C-N 3.26Å; R190-T192 PolarHBondContact O-N 2.94Å; T192-A196 PolarHBondContact O-N 3.44Å; T192-A196 VanDerWaalsContact O-N 3.17Å
193S95.1Very high93.2Very high67 Ų6790.2 Ų90.247%0.46948%0.484SS..Hα-helixtrans-66-43175-1720000112L189 R190 A196 N197L189-S193 PolarHBondContact O-N 2.92Å; R190-S193 WeakPolarHBondContact O-CB 3.49Å; R190-S193 PolarHBondContact O-N 2.82Å; R190-S193 VanDerWaalsContact O-N 3.12Å; S193-A196 PolarHBondContact O-N 3.34Å; S193-N197 VanDerWaalsContact O-CG 3.29Å; S193-N197 PolarHBondContact O-N 3.23Å; S193-N197 PolarHBondContact O-ND2 3.22Å
194E95.4Very high93.6Very high79 Ų7992.1 Ų92.137%0.36949%0.491SS..Hα-helixtrans-65.6-42.2178.3-76.2174.5-172.600111.8R190 A196 N197 M198R190-E194 WeakPolarHBondContact CG-OE1 3.43Å; R190-E194 IonicContact CZ-OE1 2.64Å; R190-E194 IonicContact CZ-OE2 3.52Å; R190-E194 IonicContact NH1-OE1 2.65Å; R190-E194 PolarHBondContact NH1-OE1 3.19Å; R190-E194 IonicContact NH1-OE2 2.61Å; R190-E194 PolarHBondContact NH1-OE2 3.39Å; R190-E194 IonicContact NH2-OE2 3.2Å; R190-E194 PolarHBondContact O-N 2.88Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 2.88Å; E194-N197 PolarHBondContact O-N 2.58Å; E194-M198 WeakPolarHBondContact O-CB 3.42Å; E194-M198 VanDerWaalsContact O-CG 3.31Å; E194-M198 WeakPolarHBondContact O-CG 3.36Å; E194-M198 PolarHBondContact O-N 3.45Å
195K95.2Very high94Very high150 Ų15090.6 Ų90.665%0.65249%0.487SS*.Hα-helixtrans-55.8-46.4173179.9-174.1172.9-1740111.6L191 N197 M198 E199L191-K195 WeakPolarHBondContact O-CB 3.42Å; L191-K195 PolarHBondContact O-N 3.4Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N197 PolarHBondContact O-N 2.84Å; K195-M198 PolarHBondContact O-N 2.82Å; K195-E199 WeakPolarHBondContact O-CB 2.86Å; K195-E199 PolarHBondContact O-N 3.34Å
196A95.6Very high94.3Very high54 Ų5491.4 Ų91.445%0.44650%0.496SS..Hα-helixtrans-63.2-40.4178.600000112.1T192 S193 E194 E199 S200T192-A196 PolarHBondContact O-N 3.44Å; T192-A196 VanDerWaalsContact O-N 3.17Å; S193-A196 PolarHBondContact O-N 3.34Å; E194-A196 VanDerWaalsContact C-N 3.32Å; E194-A196 PolarHBondContact O-N 2.88Å; A196-E199 PolarHBondContact O-N 2.8Å; A196-S200 PolarHBondContact O-N 2.81Å
197N96.2Very high94.6Very high105 Ų10590.1 Ų90.156%0.56149%0.489SS*.Hα-helixtrans-65.1-45.3176-68.5-16.7000111.9S193 E194 K195 E199 S200 A201S193-N197 VanDerWaalsContact O-CG 3.29Å; S193-N197 PolarHBondContact O-N 3.23Å; S193-N197 PolarHBondContact O-ND2 3.22Å; E194-N197 PolarHBondContact O-N 2.58Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N197 PolarHBondContact O-N 2.84Å; N197-E199 VanDerWaalsContact C-N 3.34Å; N197-E199 PolarHBondContact O-N 2.84Å; N197-S200 PolarHBondContact O-N 3.38Å; N197-A201 WeakPolarHBondContact O-CB 3.47Å; N197-A201 PolarHBondContact O-N 3.3Å
198M95.1Very high95Very high139 Ų13994.3 Ų94.369%0.68550%0.502SS*.Hα-helixtrans-63.9-38.7177-69.3-61.1-73.800111.7E194 K195 A201 A202E194-M198 WeakPolarHBondContact O-CB 3.42Å; E194-M198 VanDerWaalsContact O-CG 3.31Å; E194-M198 WeakPolarHBondContact O-CG 3.36Å; E194-M198 PolarHBondContact O-N 3.45Å; K195-M198 PolarHBondContact O-N 2.82Å; M198-A201 PolarHBondContact O-N 2.78Å; M198-A202 VanDerWaalsContact O-CB 3.27Å; M198-A202 WeakPolarHBondContact O-CB 3.02Å; M198-A202 PolarHBondContact O-N 2.94Å
199E95.9Very high95.3Very high95 Ų9593.1 Ų93.144%0.44450%0.499SS..Hα-helixtrans-64.7-42.8174.7-174.2-177.2158.100111.9K195 A196 N197 A202 K203K195-E199 WeakPolarHBondContact O-CB 2.86Å; K195-E199 PolarHBondContact O-N 3.34Å; A196-E199 PolarHBondContact O-N 2.8Å; N197-E199 VanDerWaalsContact C-N 3.34Å; N197-E199 PolarHBondContact O-N 2.84Å; E199-A202 PolarHBondContact O-N 2.84Å; E199-K203 HydrophobicContact CG-CD 4.44Å; E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 3.47Å; E199-K203 VanDerWaalsContact OE1-CE 3.26Å; E199-K203 WeakPolarHBondContact OE1-CE 3.46Å; E199-K203 IonicContact OE1-NZ 3.73Å; E199-K203 PolarHBondContact OE1-NZ 3.28Å
200S96.2Very high95.4Very high61 Ų6192.5 Ų92.543%0.42749%0.494SS..Hα-helixtrans-62.8-48.7175.4-166.50000111.2A196 N197 A202 K203 D204A196-S200 PolarHBondContact O-N 2.81Å; N197-S200 PolarHBondContact O-N 3.38Å; S200-A202 VanDerWaalsContact C-N 3.31Å; S200-A202 PolarHBondContact O-N 2.7Å; S200-K203 PolarHBondContact O-N 3.04Å; S200-D204 VanDerWaalsContact O-CG 3.3Å; S200-D204 PolarHBondContact O-N 3.49Å
201A95.9Very high95.6Very high56 Ų5694.1 Ų94.146%0.46351%0.508SS..Hα-helixtrans-60.5-40.7178.700000112N197 M198 D204 S205N197-A201 WeakPolarHBondContact O-CB 3.47Å; N197-A201 PolarHBondContact O-N 3.3Å; M198-A201 PolarHBondContact O-N 2.78Å; A201-D204 PolarHBondContact O-N 3.3Å; A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 2.85Å; A201-S205 PolarHBondContact O-OG 3.28Å
202A95.4Very high95.9Very high54 Ų5495.1 Ų95.145%0.44651%0.51SS..Hα-helixtrans-62.3-46.5174.800000111.5M198 E199 S200 D204 S205 L206M198-A202 VanDerWaalsContact O-CB 3.27Å; M198-A202 WeakPolarHBondContact O-CB 3.02Å; M198-A202 PolarHBondContact O-N 2.94Å; E199-A202 PolarHBondContact O-N 2.84Å; S200-A202 VanDerWaalsContact C-N 3.31Å; S200-A202 PolarHBondContact O-N 2.7Å; A202-D204 PolarHBondContact O-N 2.75Å; A202-S205 PolarHBondContact O-N 3.14Å; A202-S205 PolarHBondContact O-OG 3.49Å; A202-L206 WeakPolarHBondContact O-CB 3.46Å; A202-L206 PolarHBondContact O-N 2.82Å
203K96.3Very high96Very high112 Ų11298.1 Ų98.149%0.48752%0.517SS..Hα-helixtrans-60.7-42.8175.9-73.7173.5-174.7169.70112.2E199 S200 L206 N207E199-K203 HydrophobicContact CG-CD 4.44Å; E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 3.47Å; E199-K203 VanDerWaalsContact OE1-CE 3.26Å; E199-K203 WeakPolarHBondContact OE1-CE 3.46Å; E199-K203 IonicContact OE1-NZ 3.73Å; E199-K203 PolarHBondContact OE1-NZ 3.28Å; S200-K203 PolarHBondContact O-N 3.04Å; K203-L206 PolarHBondContact O-N 3.1Å; K203-N207 WeakPolarHBondContact O-CB 3.37Å; K203-N207 PolarHBondContact O-N 3.07Å; K203-N207 PolarHBondContact O-ND2 2.79Å
204D96.3Very high96.1Very high88 Ų88100.9 Ų100.947%0.47152%0.524SS..Hα-helixtrans-65.6-40.8178.3-68.4-25.7000111.7S200 A201 A202 N207 R208S200-D204 VanDerWaalsContact O-CG 3.3Å; S200-D204 PolarHBondContact O-N 3.49Å; A201-D204 PolarHBondContact O-N 3.3Å; A202-D204 PolarHBondContact O-N 2.75Å; D204-N207 PolarHBondContact O-N 3.35Å; D204-R208 PolarHBondContact O-N 3.41Å
205S95.6Very high96.2Very high57 Ų57102.4 Ų102.440%0.39953%0.531SS..Hα-helixtrans-64.4-40.517574.30000112.2A201 A202 R208 V209A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 2.85Å; A201-S205 PolarHBondContact O-OG 3.28Å; A202-S205 PolarHBondContact O-N 3.14Å; A202-S205 PolarHBondContact O-OG 3.49Å; S205-R208 PolarHBondContact O-N 2.91Å; S205-V209 WeakPolarHBondContact O-CG2 3.35Å; S205-V209 PolarHBondContact O-N 3.46Å
206L95.8Very high96.2Very high118 Ų11897.1 Ų97.162%0.61852%0.515SS*.Hα-helixtrans-66.2-43.3177.2-178.362.8000111.6A202 K203 R208 V209 M210A202-L206 WeakPolarHBondContact O-CB 3.46Å; A202-L206 PolarHBondContact O-N 2.82Å; K203-L206 PolarHBondContact O-N 3.1Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.12Å; L206-V209 PolarHBondContact O-N 3.24Å; L206-M210 VanDerWaalsContact O-CB 3.28Å; L206-M210 WeakPolarHBondContact O-CB 3.34Å; L206-M210 PolarHBondContact O-N 3.11Å
207N96.9Very high96.3Very high85 Ų8598.7 Ų98.746%0.45552%0.519SS..Hα-helixtrans-60.7-40.5175.8-76.1-29.8000111.5K203 D204 M210 M211K203-N207 WeakPolarHBondContact O-CB 3.37Å; K203-N207 PolarHBondContact O-N 3.07Å; K203-N207 PolarHBondContact O-ND2 2.79Å; D204-N207 PolarHBondContact O-N 3.35Å; N207-M210 PolarHBondContact O-N 3.12Å; N207-M211 WeakPolarHBondContact O-CG 3.46Å; N207-M211 PolarHBondContact O-N 3.13Å
208R96.1Very high96.4Very high154 Ų15498.9 Ų98.958%0.58152%0.516SS*.Hα-helixtrans-61.3-52.6175.7-174.6-176.4-62126.93.8111.7D204 S205 L206 M210 M211 E212D204-R208 PolarHBondContact O-N 3.41Å; S205-R208 PolarHBondContact O-N 2.91Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.12Å; R208-M210 PolarHBondContact O-N 2.56Å; R208-M211 WeakPolarHBondContact O-CB 3.34Å; R208-M211 PolarHBondContact O-N 2.98Å; R208-M211 VanDerWaalsContact O-N 3.13Å; R208-E212 WeakPolarHBondContact O-CG 3.27Å; R208-E212 PolarHBondContact O-N 2.66Å
209V96.3Very high96.5Very high88 Ų8898.6 Ų98.653%0.53351%0.508SS..Hα-helixtrans-63-34.3179.1174.90000111.2S205 L206 E212 K213S205-V209 WeakPolarHBondContact O-CG2 3.35Å; S205-V209 PolarHBondContact O-N 3.46Å; L206-V209 PolarHBondContact O-N 3.24Å; V209-E212 PolarHBondContact O-N 2.9Å; V209-K213 VanDerWaalsContact O-CB 3.32Å; V209-K213 WeakPolarHBondContact O-CB 3.49Å; V209-K213 PolarHBondContact O-N 3.34Å
210M96.5Very high96.5Very high109 Ų10997.8 Ų97.854%0.53751%0.509SS..Hα-helixtrans-65.3-42174.3-175.7176.4176.600112L206 N207 R208 K213 M214L206-M210 VanDerWaalsContact O-CB 3.28Å; L206-M210 WeakPolarHBondContact O-CB 3.34Å; L206-M210 PolarHBondContact O-N 3.11Å; N207-M210 PolarHBondContact O-N 3.12Å; R208-M210 PolarHBondContact O-N 2.56Å; M210-K213 PolarHBondContact O-N 2.71Å; M210-M214 VanDerWaalsContact O-CG 3.25Å; M210-M214 WeakPolarHBondContact O-CG 3.35Å; M210-M214 PolarHBondContact O-N 2.94Å
211M97Very high96.6Very high139 Ų13996.9 Ų96.969%0.68551%0.506SS*.Hα-helixtrans-62.6-46.4174.7-72.2178.9-178.600111.5N207 R208 K213 M214 E215N207-M211 WeakPolarHBondContact O-CG 3.46Å; N207-M211 PolarHBondContact O-N 3.13Å; R208-M211 WeakPolarHBondContact O-CB 3.34Å; R208-M211 PolarHBondContact O-N 2.98Å; R208-M211 VanDerWaalsContact O-N 3.13Å; M211-K213 VanDerWaalsContact C-N 3.32Å; M211-K213 PolarHBondContact O-N 2.95Å; M211-M214 PolarHBondContact O-N 3.42Å; M211-E215 PolarHBondContact O-N 2.91Å
212E96.9Very high96.7Very high106 Ų10697.8 Ų97.850%0.49550%0.503SS..Hα-helixtrans-60.3-41176.3-70.4171.3-171.500111.8R208 V209 E215 A216R208-E212 WeakPolarHBondContact O-CG 3.27Å; R208-E212 PolarHBondContact O-N 2.66Å; V209-E212 PolarHBondContact O-N 2.9Å; E212-E215 PolarHBondContact O-N 3.16Å; E212-A216 WeakPolarHBondContact O-CB 3.31Å; E212-A216 PolarHBondContact O-N 2.91Å
213K96.4Very high96.8Very high145 Ų14599.9 Ų99.963%0.6351%0.51SS*.Hα-helixtrans-62.2-45174.6-178.8178.4178.2177.20111.7V209 M210 M211 E215 A216 V217V209-K213 VanDerWaalsContact O-CB 3.32Å; V209-K213 WeakPolarHBondContact O-CB 3.49Å; V209-K213 PolarHBondContact O-N 3.34Å; M210-K213 PolarHBondContact O-N 2.71Å; M211-K213 VanDerWaalsContact C-N 3.32Å; M211-K213 PolarHBondContact O-N 2.95Å; K213-E215 VanDerWaalsContact C-N 3.32Å; K213-E215 PolarHBondContact O-N 2.86Å; K213-A216 PolarHBondContact O-N 2.81Å; K213-V217 HydrophobicContact CG-CG2 4.39Å; K213-V217 WeakPolarHBondContact O-CB 3.27Å; K213-V217 VanDerWaalsContact O-CG2 3.29Å; K213-V217 WeakPolarHBondContact O-CG2 3.44Å; K213-V217 PolarHBondContact O-N 2.94Å
214M97.2Very high96.8Very high125 Ų125100.4 Ų100.462%0.61651%0.514SS*.Hα-helixtrans-62.7-40.4178.4-69.7-67.7-110.900111.4M210 M211 V217 Q218M210-M214 VanDerWaalsContact O-CG 3.25Å; M210-M214 WeakPolarHBondContact O-CG 3.35Å; M210-M214 PolarHBondContact O-N 2.94Å; M211-M214 PolarHBondContact O-N 3.42Å; M214-V217 PolarHBondContact O-N 2.97Å; M214-Q218 WeakPolarHBondContact O-CB 3.16Å; M214-Q218 PolarHBondContact O-N 2.84Å
215E97.4Very high96.9Very high110 Ų110102.3 Ų102.351%0.51452%0.52SS..Hα-helixtrans-65-43.1175.4-169.3-173.2154.300112.2M211 E212 K213 Q218 R219M211-E215 PolarHBondContact O-N 2.91Å; E212-E215 PolarHBondContact O-N 3.16Å; K213-E215 VanDerWaalsContact C-N 3.32Å; K213-E215 PolarHBondContact O-N 2.86Å; E215-Q218 PolarHBondContact O-N 3.1Å; E215-R219 WeakPolarHBondContact O-CG 3.33Å; E215-R219 PolarHBondContact O-N 3.43Å; E215-R219 IonicContact OE1-CZ 3.37Å; E215-R219 IonicContact OE1-NH1 3.53Å; E215-R219 PolarHBondContact OE1-NH1 3Å
216A96.5Very high97Very high39 Ų39104.4 Ų104.432%0.32253%0.53SS..Hα-helixtrans-64.3-43.2176.800000112.2E212 K213 Q218 R219 V220E212-A216 WeakPolarHBondContact O-CB 3.31Å; E212-A216 PolarHBondContact O-N 2.91Å; K213-A216 PolarHBondContact O-N 2.81Å; A216-Q218 VanDerWaalsContact C-N 3.34Å; A216-Q218 PolarHBondContact O-N 3.43Å; A216-R219 PolarHBondContact O-N 3.04Å; A216-V220 WeakPolarHBondContact O-CG2 3.18Å; A216-V220 PolarHBondContact O-N 3.17Å
217V97.1Very high97.1Very high87 Ų87103.8 Ų103.853%0.52753%0.527SS..Hα-helixtrans-62.5-41.6176.2169.80000111.1K213 M214 V220 A221K213-V217 HydrophobicContact CG-CG2 4.39Å; K213-V217 WeakPolarHBondContact O-CB 3.27Å; K213-V217 VanDerWaalsContact O-CG2 3.29Å; K213-V217 WeakPolarHBondContact O-CG2 3.44Å; K213-V217 PolarHBondContact O-N 2.94Å; M214-V217 PolarHBondContact O-N 2.97Å; V217-V220 PolarHBondContact O-N 2.89Å; V217-A221 PolarHBondContact O-N 3.03Å
218Q97.6Very high97.1Very high109 Ų109105.7 Ų105.751%0.50953%0.533SS..Hα-helixtrans-61.5-45.6175.3-175.360.955.200111.5M214 E215 A216 V220 A221 D222M214-Q218 WeakPolarHBondContact O-CB 3.16Å; M214-Q218 PolarHBondContact O-N 2.84Å; E215-Q218 PolarHBondContact O-N 3.1Å; A216-Q218 VanDerWaalsContact C-N 3.34Å; A216-Q218 PolarHBondContact O-N 3.43Å; Q218-V220 VanDerWaalsContact C-N 3.32Å; Q218-V220 PolarHBondContact O-N 3.42Å; Q218-A221 PolarHBondContact O-N 3.49Å; Q218-D222 PolarHBondContact NE2-OD1 3.5Å; Q218-D222 PolarHBondContact O-N 3.05Å
219R97.5Very high97.1Very high133 Ų133101.5 Ų101.550%0.50252%0.524SS..Hα-helixtrans-61.4-38.7177.1-75.7-166-66.4-107.9-5.1113E215 A216 D222 V223E215-R219 WeakPolarHBondContact O-CG 3.33Å; E215-R219 PolarHBondContact O-N 3.43Å; E215-R219 IonicContact OE1-CZ 3.37Å; E215-R219 IonicContact OE1-NH1 3.53Å; E215-R219 PolarHBondContact OE1-NH1 3Å; A216-R219 PolarHBondContact O-N 3.04Å; R219-D222 PolarHBondContact O-N 2.93Å; R219-V223 WeakPolarHBondContact O-CG2 3.32Å; R219-V223 PolarHBondContact O-N 3.39Å
220V96.8Very high97.2Very high79 Ų79100.2 Ų100.248%0.47952%0.519SS..Hα-helixtrans-63.2-46.8175.9170.20000110.1A216 V217 Q218 D222 V223 E224A216-V220 WeakPolarHBondContact O-CG2 3.18Å; A216-V220 PolarHBondContact O-N 3.17Å; V217-V220 PolarHBondContact O-N 2.89Å; Q218-V220 VanDerWaalsContact C-N 3.32Å; Q218-V220 PolarHBondContact O-N 3.42Å; V220-D222 VanDerWaalsContact C-N 3.32Å; V220-D222 PolarHBondContact O-N 3.17Å; V220-V223 PolarHBondContact O-N 3.38Å; V220-V223 VanDerWaalsContact O-N 3.17Å; V220-E224 HydrophobicContact CG1-CG 4.29Å; V220-E224 WeakPolarHBondContact O-CG 3.07Å; V220-E224 PolarHBondContact O-N 3.48Å
221A97.5Very high97.3Very high42 Ų4299.2 Ų99.235%0.34752%0.518SS..Hα-helixtrans-59.4-41.1176.800000112.5V217 Q218 V223 E224 Q225V217-A221 PolarHBondContact O-N 3.03Å; Q218-A221 PolarHBondContact O-N 3.49Å; A221-V223 PolarHBondContact O-N 3.32Å; A221-E224 PolarHBondContact O-N 3.04Å; A221-Q225 PolarHBondContact O-N 3.13Å
222D97.8Very high97.3Very high75 Ų7598.5 Ų98.540%0.40151%0.513SS..Hα-helixtrans-63.3-41.5176.6-62.7-17.1000111.6Q218 R219 V220 V226Q218-D222 PolarHBondContact NE2-OD1 3.5Å; Q218-D222 PolarHBondContact O-N 3.05Å; R219-D222 PolarHBondContact O-N 2.93Å; V220-D222 VanDerWaalsContact C-N 3.32Å; V220-D222 PolarHBondContact O-N 3.17Å; D222-V226 WeakPolarHBondContact O-CG2 3.49Å; D222-V226 PolarHBondContact O-N 3.48Å; D222-V226 VanDerWaalsContact O-N 3.12Å
223V97.7Very high97.3Very high98 Ų9898.4 Ų98.459%0.59451%0.513SS*.Hα-helixtrans-68.7-41.2177.6170.80000111.6R219 V220 A221 Q225 V226 L227R219-V223 WeakPolarHBondContact O-CG2 3.32Å; R219-V223 PolarHBondContact O-N 3.39Å; V220-V223 PolarHBondContact O-N 3.38Å; V220-V223 VanDerWaalsContact O-N 3.17Å; A221-V223 PolarHBondContact O-N 3.32Å; V223-Q225 VanDerWaalsContact C-N 3.33Å; V223-Q225 PolarHBondContact O-N 2.98Å; V223-V226 PolarHBondContact O-N 3.43Å; V223-L227 WeakPolarHBondContact O-CB 3.46Å; V223-L227 PolarHBondContact O-N 2.95Å
224E97.1Very high97.3Very high122 Ų12294.7 Ų94.757%0.5750%0.504SS*.Hα-helixtrans-60-44.1176-74.4176158.700111.2V220 A221 V226 L227 E228V220-E224 HydrophobicContact CG1-CG 4.29Å; V220-E224 WeakPolarHBondContact O-CG 3.07Å; V220-E224 PolarHBondContact O-N 3.48Å; A221-E224 PolarHBondContact O-N 3.04Å; E224-V226 PolarHBondContact O-N 3.21Å; E224-L227 PolarHBondContact O-N 2.89Å; E224-E228 PolarHBondContact O-N 3Å
225Q97.5Very high97.3Very high128 Ų12891.9 Ų91.960%0.59850%0.497SS*.Hα-helixtrans-62.1-43.4176.1-173.6-177.37.400112.3A221 V223 L227 T229A221-Q225 PolarHBondContact O-N 3.13Å; V223-Q225 VanDerWaalsContact C-N 3.33Å; V223-Q225 PolarHBondContact O-N 2.98Å; Q225-L227 VanDerWaalsContact C-N 3.35Å; Q225-T229 PolarHBondContact O-N 2.9Å; Q225-T229 VanDerWaalsContact O-N 3.1Å; Q225-T229 PolarHBondContact O-OG1 3.33Å
226V97.6Very high97.3Very high101 Ų10193.9 Ų93.961%0.61250%0.5SS*.Hα-helixtrans-66.1-38.8177171.30000111.2D222 V223 E224 T229 C230D222-V226 WeakPolarHBondContact O-CG2 3.49Å; D222-V226 PolarHBondContact O-N 3.48Å; D222-V226 VanDerWaalsContact O-N 3.12Å; V223-V226 PolarHBondContact O-N 3.43Å; E224-V226 PolarHBondContact O-N 3.21Å; V226-T229 PolarHBondContact O-N 3.43Å; V226-C230 VanDerWaalsContact O-CB 3.3Å; V226-C230 WeakPolarHBondContact O-CB 3.3Å; V226-C230 PolarHBondContact O-N 3.22Å
227L97.8Very high97.4Very high105 Ų10596.3 Ų96.355%0.5551%0.507SS..Hα-helixtrans-64.3-46.6176.9178.762.9000111.3V223 E224 Q225 T229 C230 V231V223-L227 WeakPolarHBondContact O-CB 3.46Å; V223-L227 PolarHBondContact O-N 2.95Å; E224-L227 PolarHBondContact O-N 2.89Å; Q225-L227 VanDerWaalsContact C-N 3.35Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.31Å; L227-C230 WeakPolarHBondContact O-CB 3.39Å; L227-C230 PolarHBondContact O-N 3.36Å; L227-V231 HydrophobicContact CD1-CG2 4.28Å; L227-V231 WeakPolarHBondContact O-CG2 3.3Å; L227-V231 PolarHBondContact O-N 2.85Å
228E97Very high97.4Very high126 Ų126100.1 Ų100.159%0.58951%0.512SS*.Hα-helixtrans-57.1-48.8176.6-175.1171.7-15700110.8E224 C230 V231 E232E224-E228 PolarHBondContact O-N 3Å; E228-C230 VanDerWaalsContact C-N 3.33Å; E228-C230 PolarHBondContact O-N 2.83Å; E228-V231 PolarHBondContact O-N 3.16Å; E228-E232 WeakPolarHBondContact O-CG 3.37Å; E228-E232 PolarHBondContact O-N 3.41Å
229T97.1Very high97.4Very high65 Ų6598.2 Ų98.240%0.39951%0.508SS..Hα-helixtrans-58.3-43.8176.1-50.70000111.8Q225 V226 L227 E232 E233Q225-T229 PolarHBondContact O-N 2.9Å; Q225-T229 VanDerWaalsContact O-N 3.1Å; Q225-T229 PolarHBondContact O-OG1 3.33Å; V226-T229 PolarHBondContact O-N 3.43Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.31Å; T229-E232 PolarHBondContact O-N 3.29Å; T229-E233 WeakPolarHBondContact O-CG 3.5Å; T229-E233 PolarHBondContact O-N 2.87Å
230C97.2Very high97.4Very high62 Ų6295 Ų9542%0.41951%0.506SS..Hα-helixtrans-65.6-39.4179.3-1760000112.4V226 L227 E228 E233 C234V226-C230 VanDerWaalsContact O-CB 3.3Å; V226-C230 WeakPolarHBondContact O-CB 3.3Å; V226-C230 PolarHBondContact O-N 3.22Å; L227-C230 WeakPolarHBondContact O-CB 3.39Å; L227-C230 PolarHBondContact O-N 3.36Å; E228-C230 VanDerWaalsContact C-N 3.33Å; E228-C230 PolarHBondContact O-N 2.83Å; C230-E233 PolarHBondContact O-N 3.01Å; C230-C234 WeakPolarHBondContact O-CB 3.25Å; C230-C234 PolarHBondContact O-N 3.42Å; C230-C234 PolarHBondContact O-SG 3.5Å
231V97.9Very high97.4Very high87 Ų8794.8 Ų94.853%0.52751%0.507SS..Hα-helixtrans-63.6-44.1176168.70000110.7L227 E228 C234 S235L227-V231 HydrophobicContact CD1-CG2 4.28Å; L227-V231 WeakPolarHBondContact O-CG2 3.3Å; L227-V231 PolarHBondContact O-N 2.85Å; E228-V231 PolarHBondContact O-N 3.16Å; V231-C234 PolarHBondContact O-N 2.74Å; V231-S235 WeakPolarHBondContact O-CB 3.37Å; V231-S235 PolarHBondContact O-N 3.28Å
232E97.3Very high97.4Very high124 Ų12497.2 Ų97.258%0.57951%0.512SS*.Hα-helixtrans-60.9-44.3175-70.1-177.7166.400112E228 T229 C234 S235 R236E228-E232 WeakPolarHBondContact O-CG 3.37Å; E228-E232 PolarHBondContact O-N 3.41Å; T229-E232 PolarHBondContact O-N 3.29Å; E232-C234 PolarHBondContact O-N 3.05Å; E232-S235 WeakPolarHBondContact O-CB 3.2Å; E232-S235 PolarHBondContact O-N 3.5Å; E232-R236 WeakPolarHBondContact O-CB 3.32Å; E232-R236 PolarHBondContact O-N 3.03Å
233E97.4Very high97.4Very high104 Ų10497.6 Ų97.649%0.48651%0.513SS..Hα-helixtrans-62.2-43.6176.6-75.4-175.6175.800112.5T229 C230 R236 L237T229-E233 WeakPolarHBondContact O-CG 3.5Å; T229-E233 PolarHBondContact O-N 2.87Å; C230-E233 PolarHBondContact O-N 3.01Å; E233-R236 PolarHBondContact O-N 3.01Å; E233-L237 WeakPolarHBondContact O-CB 3.45Å; E233-L237 WeakPolarHBondContact O-CG 3.46Å; E233-L237 PolarHBondContact O-N 3Å
234C97Very high97.4Very high67 Ų6795.3 Ų95.345%0.45350%0.504SS..Hα-helixtrans-64.7-39.8176.4-81.70000112.3C230 V231 E232 L237 R238C230-C234 WeakPolarHBondContact O-CB 3.25Å; C230-C234 PolarHBondContact O-N 3.42Å; C230-C234 PolarHBondContact O-SG 3.5Å; V231-C234 PolarHBondContact O-N 2.74Å; E232-C234 PolarHBondContact O-N 3.05Å; C234-L237 PolarHBondContact O-N 2.92Å; C234-R238 WeakPolarHBondContact O-CB 3.28Å; C234-R238 PolarHBondContact O-N 3.39Å
235S97Very high97.4Very high67 Ų6795.7 Ų95.747%0.46951%0.506SS..Hα-helixtrans-60.9-47172.9-175.20000111.1V231 E232 L237 R238 T239V231-S235 WeakPolarHBondContact O-CB 3.37Å; V231-S235 PolarHBondContact O-N 3.28Å; E232-S235 WeakPolarHBondContact O-CB 3.2Å; E232-S235 PolarHBondContact O-N 3.5Å; S235-L237 PolarHBondContact O-N 3.23Å; S235-R238 PolarHBondContact O-N 2.84Å; S235-T239 PolarHBondContact O-N 3.37Å; S235-T239 PolarHBondContact O-OG1 3.03Å; S235-T239 VanDerWaalsContact O-OG1 3.08Å
236R97.7Very high97.4Very high152 Ų15295.9 Ų95.957%0.57451%0.507SS*.Hα-helixtrans-60.7-44.6176.7-173.2-172.962.872.92112.4E232 E233 S240E232-R236 WeakPolarHBondContact O-CB 3.32Å; E232-R236 PolarHBondContact O-N 3.03Å; E233-R236 PolarHBondContact O-N 3.01Å; R236-S240 WeakPolarHBondContact O-CB 3.41Å; R236-S240 PolarHBondContact O-N 3.48Å
237L97.1Very high97.4Very high89 Ų8996.8 Ų96.847%0.46650%0.504SS..Hα-helixtrans-65.1-41.3178.1-74.4172.8000111.7E233 C234 S235 S240 C241E233-L237 WeakPolarHBondContact O-CB 3.45Å; E233-L237 WeakPolarHBondContact O-CG 3.46Å; E233-L237 PolarHBondContact O-N 3Å; C234-L237 PolarHBondContact O-N 2.92Å; S235-L237 PolarHBondContact O-N 3.23Å; L237-S240 WeakPolarHBondContact O-CB 3.32Å; L237-S240 PolarHBondContact O-N 3.34Å; L237-C241 PolarHBondContact O-N 2.86Å; L237-C241 PolarHBondContact O-SG 3.37Å
238R97.8Very high97.3Very high167 Ų16797 Ų9763%0.6351%0.505SS*.Hα-helixtrans-58.8-51.2175.8-174.4-177.8-61.3165.42.7111.3C234 S235 S240 C241 E242C234-R238 WeakPolarHBondContact O-CB 3.28Å; C234-R238 PolarHBondContact O-N 3.39Å; S235-R238 PolarHBondContact O-N 2.84Å; R238-S240 VanDerWaalsContact C-N 3.29Å; R238-S240 PolarHBondContact O-N 2.65Å; R238-C241 PolarHBondContact O-N 2.93Å; R238-C241 VanDerWaalsContact O-N 3.1Å; R238-E242 WeakPolarHBondContact CG-OE1 3.44Å; R238-E242 WeakPolarHBondContact O-CG 3.39Å; R238-E242 PolarHBondContact O-N 3Å
239T97.5Very high97.3Very high69 Ų6993.8 Ų93.842%0.42350%0.5SS..Hα-helixtrans-58.9-41.2177.2-53.90000111.7S235 C241 E242 I243S235-T239 PolarHBondContact O-N 3.37Å; S235-T239 PolarHBondContact O-OG1 3.03Å; S235-T239 VanDerWaalsContact O-OG1 3.08Å; T239-C241 PolarHBondContact O-N 2.93Å; T239-E242 PolarHBondContact O-N 2.95Å; T239-I243 HydrophobicContact CG2-CD1 4.08Å; T239-I243 VanDerWaalsContact O-CG1 3.3Å; T239-I243 WeakPolarHBondContact O-CG1 3.46Å; T239-I243 PolarHBondContact O-N 3.2Å
240S97.4Very high97.3Very high67 Ų6793.9 Ų93.947%0.46950%0.501SS..Hα-helixtrans-63-39.7176-173.20000112.6R236 L237 R238 A244R236-S240 WeakPolarHBondContact O-CB 3.41Å; R236-S240 PolarHBondContact O-N 3.48Å; L237-S240 WeakPolarHBondContact O-CB 3.32Å; L237-S240 PolarHBondContact O-N 3.34Å; R238-S240 VanDerWaalsContact C-N 3.29Å; R238-S240 PolarHBondContact O-N 2.65Å; S240-A244 WeakPolarHBondContact O-CB 3.5Å; S240-A244 PolarHBondContact O-N 3.48Å
241C97.4Very high97.3Very high74 Ų7494.8 Ų94.850%0.551%0.505SS..Hα-helixtrans-68.7-40.5175.9-74.30000112L237 R238 T239 A244 Q245L237-C241 PolarHBondContact O-N 2.86Å; L237-C241 PolarHBondContact O-SG 3.37Å; R238-C241 PolarHBondContact O-N 2.93Å; R238-C241 VanDerWaalsContact O-N 3.1Å; T239-C241 PolarHBondContact O-N 2.93Å; C241-A244 PolarHBondContact O-N 3.38Å; C241-Q245 WeakPolarHBondContact O-CB 3.46Å; C241-Q245 VanDerWaalsContact O-CG 3.26Å; C241-Q245 WeakPolarHBondContact O-CG 3.38Å; C241-Q245 PolarHBondContact O-N 2.88Å
242E97.7Very high97.3Very high93 Ų9394.9 Ų94.944%0.43551%0.505SS..Hα-helixtrans-61.4-44.2175.9-73.6172.6-170.400111.5R238 T239 Q245 Q246R238-E242 WeakPolarHBondContact CG-OE1 3.44Å; R238-E242 WeakPolarHBondContact O-CG 3.39Å; R238-E242 PolarHBondContact O-N 3Å; T239-E242 PolarHBondContact O-N 2.95Å; E242-Q245 PolarHBondContact O-N 3.39Å; E242-Q246 WeakPolarHBondContact O-CG 3.48Å; E242-Q246 PolarHBondContact O-N 3.39Å
243I97.8Very high97.2Very high83 Ų8395.8 Ų95.843%0.42651%0.509SS..Hα-helixtrans-61.5-48.6174.5-67.6166.7000110.5T239 Q245 Q246 E247T239-I243 HydrophobicContact CG2-CD1 4.08Å; T239-I243 VanDerWaalsContact O-CG1 3.3Å; T239-I243 WeakPolarHBondContact O-CG1 3.46Å; T239-I243 PolarHBondContact O-N 3.2Å; I243-Q245 VanDerWaalsContact C-N 3.26Å; I243-Q245 PolarHBondContact O-N 3.42Å; I243-Q246 WeakPolarHBondContact O-CB 3.31Å; I243-Q246 PolarHBondContact O-N 2.99Å; I243-Q246 VanDerWaalsContact O-N 3.1Å; I243-E247 HydrophobicContact CG2-CG 4.47Å; I243-E247 WeakPolarHBondContact O-CG 3.26Å; I243-E247 PolarHBondContact O-N 2.93Å
244A96.6Very high97.2Very high50 Ų5097.2 Ų97.241%0.41352%0.516SS..Hα-helixtrans-61.6-34178.800000112.7S240 C241 L248S240-A244 WeakPolarHBondContact O-CB 3.5Å; S240-A244 PolarHBondContact O-N 3.48Å; C241-A244 PolarHBondContact O-N 3.38Å; A244-L248 WeakPolarHBondContact O-CB 3.32Å; A244-L248 PolarHBondContact O-N 3.33Å
245Q97.4Very high97.2Very high130 Ų13099.6 Ų99.661%0.60752%0.52SS*.Hα-helixtrans-67.7-40.7173.9-76.3174.5-1.600112.1C241 E242 I243 L248 A249C241-Q245 WeakPolarHBondContact O-CB 3.46Å; C241-Q245 VanDerWaalsContact O-CG 3.26Å; C241-Q245 WeakPolarHBondContact O-CG 3.38Å; C241-Q245 PolarHBondContact O-N 2.88Å; E242-Q245 PolarHBondContact O-N 3.39Å; I243-Q245 VanDerWaalsContact C-N 3.26Å; I243-Q245 PolarHBondContact O-N 3.42Å; Q245-L248 PolarHBondContact O-N 3.48Å; Q245-A249 WeakPolarHBondContact O-CB 3.29Å; Q245-A249 PolarHBondContact O-N 3Å
246Q97Very high97.2Very high131 Ų13199.2 Ų99.261%0.61252%0.517SS*.Hα-helixtrans-63.4-45.7174.2-70.5174.66.900111E242 I243 L248 A249 T250E242-Q246 WeakPolarHBondContact O-CG 3.48Å; E242-Q246 PolarHBondContact O-N 3.39Å; I243-Q246 WeakPolarHBondContact O-CB 3.31Å; I243-Q246 PolarHBondContact O-N 2.99Å; I243-Q246 VanDerWaalsContact O-N 3.1Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 2.97Å; Q246-A249 WeakPolarHBondContact O-CB 3.49Å; Q246-A249 PolarHBondContact O-N 3.31Å; Q246-T250 WeakPolarHBondContact O-CG2 3.5Å; Q246-T250 PolarHBondContact O-N 3.46Å
247E97.3Very high97.1Very high120 Ų12093.3 Ų93.356%0.56150%0.504SS*.Hα-helixtrans-58.2-47.1174.9-71.1178.817000111.1I243 A249 T250 V251I243-E247 HydrophobicContact CG2-CG 4.47Å; I243-E247 WeakPolarHBondContact O-CG 3.26Å; I243-E247 PolarHBondContact O-N 2.93Å; E247-A249 VanDerWaalsContact C-N 3.34Å; E247-A249 PolarHBondContact O-N 3.27Å; E247-T250 PolarHBondContact O-N 3.04Å; E247-T250 PolarHBondContact O-OG1 2.94Å; E247-V251 WeakPolarHBondContact O-CG2 3.5Å; E247-V251 PolarHBondContact O-N 3.14Å
248L96.7Very high97Very high109 Ų10991.3 Ų91.357%0.57150%0.497SS*.Hα-helixtrans-60.7-42.1176.8-176.962.5000112A244 Q245 Q246 T250 V251 V252A244-L248 WeakPolarHBondContact O-CB 3.32Å; A244-L248 PolarHBondContact O-N 3.33Å; Q245-L248 PolarHBondContact O-N 3.48Å; Q246-L248 VanDerWaalsContact C-N 3.35Å; Q246-L248 PolarHBondContact O-N 2.97Å; L248-T250 VanDerWaalsContact C-N 3.33Å; L248-T250 PolarHBondContact O-N 2.91Å; L248-V251 PolarHBondContact O-N 3.39Å; L248-V252 HydrophobicContact CD1-CG2 4.45Å; L248-V252 HydrophobicContact CG-CG2 4.48Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 3.46Å
249A97Very high96.9Very high59 Ų5987.8 Ų87.849%0.48849%0.49SS..Hα-helixtrans-59.9-43.4176.100000111.6Q245 Q246 E247 V251 V252 E253Q245-A249 WeakPolarHBondContact O-CB 3.29Å; Q245-A249 PolarHBondContact O-N 3Å; Q246-A249 WeakPolarHBondContact O-CB 3.49Å; Q246-A249 PolarHBondContact O-N 3.31Å; E247-A249 VanDerWaalsContact C-N 3.34Å; E247-A249 PolarHBondContact O-N 3.27Å; A249-V251 PolarHBondContact O-N 3.47Å; A249-V252 PolarHBondContact O-N 3.11Å; A249-E253 PolarHBondContact O-N 3.45Å
250T96.9Very high96.9Very high68 Ų6890.1 Ų90.142%0.41750%0.499SS..Hα-helixtrans-64.1-39.1175.666.10000112.4Q246 E247 L248 E253 Q254Q246-T250 WeakPolarHBondContact O-CG2 3.5Å; Q246-T250 PolarHBondContact O-N 3.46Å; E247-T250 PolarHBondContact O-N 3.04Å; E247-T250 PolarHBondContact O-OG1 2.94Å; L248-T250 VanDerWaalsContact C-N 3.33Å; L248-T250 PolarHBondContact O-N 2.91Å; T250-E253 PolarHBondContact O-N 2.97Å; T250-Q254 VanDerWaalsContact O-CG 3.29Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 3.33Å
251V96.9Very high96.8Very high81 Ų8195 Ų9549%0.49151%0.508SS..Hα-helixtrans-65.6-40.7176.5172.10000111.1E247 L248 A249 Q254 H255E247-V251 WeakPolarHBondContact O-CG2 3.5Å; E247-V251 PolarHBondContact O-N 3.14Å; L248-V251 PolarHBondContact O-N 3.39Å; A249-V251 PolarHBondContact O-N 3.47Å; V251-Q254 PolarHBondContact O-N 3.4Å; V251-H255 WeakPolarHBondContact O-CB 3.23Å; V251-H255 PolarHBondContact O-N 2.86Å
252V97.6Very high96.6Very high88 Ų8896.2 Ų96.253%0.53351%0.508SS..Hα-helixtrans-62.5-43.9175.7169.80000110.9L248 A249 H255 S256L248-V252 HydrophobicContact CD1-CG2 4.45Å; L248-V252 HydrophobicContact CG-CG2 4.48Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 3.46Å; A249-V252 PolarHBondContact O-N 3.11Å; V252-H255 PolarHBondContact O-N 2.99Å; V252-S256 PolarHBondContact O-N 3.13Å
253E96.8Very high96.4Very high143 Ų14396.7 Ų96.767%0.66851%0.51SS*.Hα-helixtrans-61.5-48.1176-172.6178.5-173.600111.3A249 T250 H255 S256 G257A249-E253 PolarHBondContact O-N 3.45Å; T250-E253 PolarHBondContact O-N 2.97Å; E253-H255 VanDerWaalsContact C-N 3.32Å; E253-H255 PolarHBondContact O-N 3.33Å; E253-S256 PolarHBondContact O-N 2.96Å; E253-S256 PolarHBondContact O-OG 2.99Å; E253-G257 PolarHBondContact O-N 3.05Å
254Q96.7Very high96.2Very high134 Ų13494.1 Ų94.163%0.62650%0.504SS*.Hα-helixtrans-60.2-40.6176.4-72.1176.612.800112.5T250 V251 G257 C258T250-Q254 VanDerWaalsContact O-CG 3.29Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 3.33Å; V251-Q254 PolarHBondContact O-N 3.4Å; Q254-G257 PolarHBondContact O-N 3.24Å; Q254-C258 PolarHBondContact O-N 3.48Å
255H96.5Very high95.9Very high117 Ų11797.1 Ų97.154%0.54251%0.513SS..Hα-helixtrans-63.6-45.1176.6-173.673.2000111.2V251 V252 E253 G257 C258 L259V251-H255 WeakPolarHBondContact O-CB 3.23Å; V251-H255 PolarHBondContact O-N 2.86Å; V252-H255 PolarHBondContact O-N 2.99Å; E253-H255 VanDerWaalsContact C-N 3.32Å; E253-H255 PolarHBondContact O-N 3.33Å; H255-G257 VanDerWaalsContact C-N 3.35Å; H255-G257 PolarHBondContact O-N 3.38Å; H255-C258 WeakPolarHBondContact O-CB 3.45Å; H255-C258 PolarHBondContact O-N 3.03Å; H255-C258 VanDerWaalsContact O-N 3.11Å; H255-L259 WeakPolarHBondContact O-CG 3.46Å; H255-L259 PolarHBondContact O-N 2.99Å
256S96.6Very high95.7Very high59 Ų5998.9 Ų98.941%0.41351%0.514SS..Hα-helixtrans-60.3-42.4176.576.50000112.2V252 E253 C258 L259 L260V252-S256 PolarHBondContact O-N 3.13Å; E253-S256 PolarHBondContact O-N 2.96Å; E253-S256 PolarHBondContact O-OG 2.99Å; S256-C258 VanDerWaalsContact C-N 3.32Å; S256-C258 PolarHBondContact O-N 3.43Å; S256-L259 PolarHBondContact O-N 3.04Å; S256-L260 PolarHBondContact O-N 3.2Å; S256-L260 VanDerWaalsContact O-N 3.07Å
257G96.4Very high95.3Very high28 Ų2897.6 Ų97.629%0.28951%0.508SS..Hα-helixtrans-66.8-30.5174.500000113.4E253 Q254 H255 R261E253-G257 PolarHBondContact O-N 3.05Å; Q254-G257 PolarHBondContact O-N 3.24Å; H255-G257 VanDerWaalsContact C-N 3.35Å; H255-G257 PolarHBondContact O-N 3.38Å; G257-R261 WeakPolarHBondContact O-CG 3.28Å; G257-R261 PolarHBondContact O-N 3.33Å; G257-R261 PolarHBondContact O-NE 3.44Å
258C95.6Very high94.8Very high48 Ų4895.8 Ų95.832%0.32451%0.509SS..Hα-helixtrans-67.4-45.2171.1-163.30000111.8Q254 H255 S256 L260 R261 I262Q254-C258 PolarHBondContact O-N 3.48Å; H255-C258 WeakPolarHBondContact O-CB 3.45Å; H255-C258 PolarHBondContact O-N 3.03Å; H255-C258 VanDerWaalsContact O-N 3.11Å; S256-C258 VanDerWaalsContact C-N 3.32Å; S256-C258 PolarHBondContact O-N 3.43Å; C258-L260 PolarHBondContact O-N 2.91Å; C258-R261 PolarHBondContact O-N 2.74Å; C258-I262 WeakPolarHBondContact O-CG1 3.5Å; C258-I262 PolarHBondContact O-N 3.41Å
259L96Very high94.3Very high92 Ų9295.9 Ų95.948%0.48251%0.509SS..Hα-helixtrans-60.2-44.1178-70.7176.2000112.3H255 S256 R261 I262 Q263H255-L259 WeakPolarHBondContact O-CG 3.46Å; H255-L259 PolarHBondContact O-N 2.99Å; S256-L259 PolarHBondContact O-N 3.04Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 2.94Å; L259-I262 PolarHBondContact O-N 3.31Å; L259-Q263 PolarHBondContact O-N 3.46Å
260L95.7Very high93.7Very high119 Ų11996.6 Ų96.662%0.62350%0.502SS*.Hα-helixtrans-61.1-40.3176.1-71.8173.8000112.4S256 C258 Q263 G264S256-L260 PolarHBondContact O-N 3.2Å; S256-L260 VanDerWaalsContact O-N 3.07Å; C258-L260 PolarHBondContact O-N 2.91Å; L260-Q263 PolarHBondContact O-N 2.93Å; L260-G264 PolarHBondContact O-N 2.89Å
261R95.5Very high92.9Very high169 Ų16998.4 Ų98.464%0.63851%0.513SS*.Hα-helixtrans-64.5-42.6175.4-74.3-178.5-68.4177.31112.1G257 C258 L259 Q263 G264 L265G257-R261 WeakPolarHBondContact O-CG 3.28Å; G257-R261 PolarHBondContact O-N 3.33Å; G257-R261 PolarHBondContact O-NE 3.44Å; C258-R261 PolarHBondContact O-N 2.74Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 2.94Å; R261-Q263 VanDerWaalsContact C-N 3.34Å; R261-G264 PolarHBondContact O-N 3.38Å; R261-L265 WeakPolarHBondContact O-CG 3.35Å; R261-L265 PolarHBondContact O-N 2.91Å
262I94.1Very high92Very high100 Ų10097.5 Ų97.551%0.51351%0.509SS..Hα-helixtrans-63.5-42.5176.5-68.6169000110.4C258 L259 L265 R266C258-I262 WeakPolarHBondContact O-CG1 3.5Å; C258-I262 PolarHBondContact O-N 3.41Å; L259-I262 PolarHBondContact O-N 3.31Å; I262-L265 PolarHBondContact O-N 3.41Å; I262-R266 WeakPolarHBondContact O-CB 3.25Å; I262-R266 PolarHBondContact O-N 2.9Å
263Q93.7Very high91Very high102 Ų10296.5 Ų96.548%0.47750%0.5SS..Hα-helixtrans-61.5-47.9176.8-175.6-179.7-16.700111.8L259 L260 R261 L265 R266 E267L259-Q263 PolarHBondContact O-N 3.46Å; L260-Q263 PolarHBondContact O-N 2.93Å; R261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 2.92Å; Q263-R266 WeakPolarHBondContact O-CB 3.22Å; Q263-R266 PolarHBondContact O-N 3.47Å; Q263-R266 VanDerWaalsContact O-N 3.1Å; Q263-E267 PolarHBondContact NE2-OE1 3.29Å; Q263-E267 VanDerWaalsContact NE2-OE1 3.07Å; Q263-E267 PolarHBondContact O-N 3.04Å
264G93.3Very high89.9Confident29 Ų2996.8 Ų96.830%0.29950%0.496SS..Hα-helixtrans-62.5-37.2178.200000113.4L260 R261 S268L260-G264 PolarHBondContact O-N 2.89Å; R261-G264 PolarHBondContact O-N 3.38Å; G264-S268 WeakPolarHBondContact O-CB 3.37Å; G264-S268 PolarHBondContact O-N 3.2Å; G264-S268 PolarHBondContact O-OG 3.24Å
265L91.4Very high89Confident114 Ų11496.9 Ų96.960%0.59749%0.494SS*.Hα-helixtrans-66.2-39.2172.6-73.7173.8000112R261 I262 Q263 S268 L269R261-L265 WeakPolarHBondContact O-CG 3.35Å; R261-L265 PolarHBondContact O-N 2.91Å; I262-L265 PolarHBondContact O-N 3.41Å; Q263-L265 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 2.92Å; L265-S268 PolarHBondContact O-N 2.87Å; L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 3.11Å
266R91.3Very high87.8Confident167 Ų16794.6 Ų94.663%0.6349%0.486SS*.Hα-helixtrans-61.5-48.8176.1-178-175.7169.3-174.81.1111.2I262 Q263 S268 L269 E270I262-R266 WeakPolarHBondContact O-CB 3.25Å; I262-R266 PolarHBondContact O-N 2.9Å; Q263-R266 WeakPolarHBondContact O-CB 3.22Å; Q263-R266 PolarHBondContact O-N 3.47Å; Q263-R266 VanDerWaalsContact O-N 3.1Å; R266-S268 VanDerWaalsContact C-N 3.33Å; R266-S268 PolarHBondContact O-N 2.99Å; R266-L269 PolarHBondContact O-N 2.85Å; R266-E270 IonicContact CZ-OE1 3.56Å; R266-E270 IonicContact NE-OE1 3.94Å; R266-E270 PolarHBondContact NE-OE1 2.84Å; R266-E270 IonicContact NH2-OE1 3.55Å; R266-E270 PolarHBondContact NH2-OE1 3Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 2.96Å
267E89.1Confident86.6Confident104 Ų10496.5 Ų96.549%0.48649%0.488SS..Hα-helixtrans-60.3-42.4176.8-70.2170.9-167.900111.6Q263 L269 E270 V271Q263-E267 PolarHBondContact NE2-OE1 3.29Å; Q263-E267 VanDerWaalsContact NE2-OE1 3.07Å; Q263-E267 PolarHBondContact O-N 3.04Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 3.04Å; E267-E270 PolarHBondContact O-N 3.43Å; E267-V271 PolarHBondContact O-N 3.18Å
268S87.6Confident85.4Confident82 Ų82100 Ų10057%0.57350%0.5SS*.Hα-helixtrans-64.8-28.3177.3-60.90000113.5G264 L265 R266 P272G264-S268 WeakPolarHBondContact O-CB 3.37Å; G264-S268 PolarHBondContact O-N 3.2Å; G264-S268 PolarHBondContact O-OG 3.24Å; L265-S268 PolarHBondContact O-N 2.87Å; R266-S268 VanDerWaalsContact C-N 3.33Å; R266-S268 PolarHBondContact O-N 2.99Å; S268-P272 WeakPolarHBondContact O-CD 3.49Å; S268-P272 WeakPolarHBondContact O-CG 3.49Å
269L86.3Confident83.9Confident110 Ų110100.3 Ų100.358%0.57650%0.498SS*.Hα-helixtrans-85.7-28.6175.8-72.7168.9000112.7L265 R266 E267 P272 I273L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.34Å; L265-L269 PolarHBondContact O-N 3.11Å; R266-L269 PolarHBondContact O-N 2.85Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 3.04Å; L269-P272 WeakPolarHBondContact O-CD 3.42Å; L269-I273 WeakPolarHBondContact O-CD1 3.41Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.47Å; L269-I273 PolarHBondContact O-N 3.45Å
270E83.7Confident82.1Confident74 Ų7496.9 Ų96.935%0.34648%0.482SS..Hα-helixtrans-63.5-39.7177.7-80.9-180-17200111.8R266 E267 I273 Y274R266-E270 IonicContact CZ-OE1 3.56Å; R266-E270 IonicContact NE-OE1 3.94Å; R266-E270 PolarHBondContact NE-OE1 2.84Å; R266-E270 IonicContact NH2-OE1 3.55Å; R266-E270 PolarHBondContact NH2-OE1 3Å; R266-E270 WeakPolarHBondContact O-CG 3.46Å; R266-E270 PolarHBondContact O-N 2.96Å; E267-E270 PolarHBondContact O-N 3.43Å; E270-I273 PolarHBondContact O-N 2.9Å; E270-Y274 VanDerWaalsContact O-CD2 3.32Å; E270-Y274 WeakPolarHBondContact O-CD2 3.49Å; E270-Y274 PolarHBondContact O-N 3.39Å
271V80.1Confident80.5Confident106 Ų10698.7 Ų98.764%0.64249%0.485SS*.Hα-helixtrans-60.2-52.1178.9175.60000112.6E267 I273 Y274 F275E267-V271 PolarHBondContact O-N 3.18Å; V271-I273 VanDerWaalsContact C-N 3.3Å; V271-I273 PolarHBondContact O-N 3.47Å; V271-Y274 PolarHBondContact O-N 3.49Å; V271-F275 WeakPolarHBondContact O-CB 3.35Å; V271-F275 PolarHBondContact O-N 2.99Å
272P78.7Confident78.9Confident63 Ų6397.8 Ų97.841%0.40949%0.486SS..Hα-helixtrans-56.6-39.8171.7-25.931.9000113.6S268 L269 F275 L276S268-P272 WeakPolarHBondContact O-CD 3.49Å; S268-P272 WeakPolarHBondContact O-CG 3.49Å; L269-P272 WeakPolarHBondContact O-CD 3.42Å; P272-F275 PolarHBondContact O-N 3.15Å; P272-L276 WeakPolarHBondContact O-CB 3.42Å; P272-L276 WeakPolarHBondContact O-CG 3.39Å; P272-L276 PolarHBondContact O-N 3.25Å
273I76.4Confident77.4Confident67 Ų6799.2 Ų99.234%0.34449%0.489SS..Hα-helixtrans-64.6-47.5179.6-69.1167000110.7L269 E270 V271 F275 L276 Q277L269-I273 WeakPolarHBondContact O-CD1 3.41Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.47Å; L269-I273 PolarHBondContact O-N 3.45Å; E270-I273 PolarHBondContact O-N 2.9Å; V271-I273 VanDerWaalsContact C-N 3.3Å; V271-I273 PolarHBondContact O-N 3.47Å; I273-F275 VanDerWaalsContact C-N 3.33Å; I273-F275 PolarHBondContact O-N 3.4Å; I273-L276 PolarHBondContact O-N 3.49Å; I273-Q277 HydrophobicContact CG2-CG 4.34Å; I273-Q277 WeakPolarHBondContact O-CB 3.27Å; I273-Q277 VanDerWaalsContact O-CG 3.3Å; I273-Q277 WeakPolarHBondContact O-CG 3.31Å; I273-Q277 PolarHBondContact O-N 2.97Å
274Y73.9Confident75.6Confident149 Ų14999.2 Ų99.258%0.58450%0.498SS*.Hα-helixtrans-59.6-43.6175-89.1-75.6000111.7E270 V271 L276 Q277 L278E270-Y274 VanDerWaalsContact O-CD2 3.32Å; E270-Y274 WeakPolarHBondContact O-CD2 3.49Å; E270-Y274 PolarHBondContact O-N 3.39Å; V271-Y274 PolarHBondContact O-N 3.49Å; Y274-L276 PolarHBondContact O-N 2.85Å; Y274-Q277 PolarHBondContact O-N 2.9Å; Y274-L278 WeakPolarHBondContact O-CB 3.49Å; Y274-L278 WeakPolarHBondContact O-CG 3.27Å; Y274-L278 PolarHBondContact O-N 3.3Å
275F77Confident74Confident135 Ų135102.5 Ų102.559%0.59252%0.522SS*.Hα-helixtrans-62.2-42.5177.1-175.3-101.4000112.2V271 P272 I273 N279V271-F275 WeakPolarHBondContact O-CB 3.35Å; V271-F275 PolarHBondContact O-N 2.99Å; P272-F275 PolarHBondContact O-N 3.15Å; I273-F275 VanDerWaalsContact C-N 3.33Å; I273-F275 PolarHBondContact O-N 3.4Å; F275-N279 VanDerWaalsContact CD1-ND2 3.32Å; F275-N279 WeakPolarHBondContact CD1-ND2 3.42Å; F275-N279 WeakPolarHBondContact CE1-ND2 3.37Å; F275-N279 WeakPolarHBondContact CZ-ND2 3.26Å; F275-N279 WeakPolarHBondContact O-CB 3.49Å; F275-N279 PolarHBondContact O-N 2.95Å; F275-N279 PolarHBondContact O-ND2 3.05Å
276L71.8Confident72.3Confident69 Ų6998.7 Ų98.736%0.36151%0.505SS..Hα-helixtrans-65.5-43.4175.1-72.2170.2000111.4P272 I273 Y274 N279 S280 I290P272-L276 WeakPolarHBondContact O-CB 3.42Å; P272-L276 WeakPolarHBondContact O-CG 3.39Å; P272-L276 PolarHBondContact O-N 3.25Å; I273-L276 PolarHBondContact O-N 3.49Å; Y274-L276 PolarHBondContact O-N 2.85Å; L276-N279 PolarHBondContact O-N 3.34Å; L276-S280 WeakPolarHBondContact O-CB 3.22Å; L276-S280 PolarHBondContact O-N 2.64Å; L276-I290 HydrophobicContact CB-CD1 4.06Å; L276-I290 HydrophobicContact CB-CG1 4.27Å; L276-I290 WeakPolarHBondContact O-CD1 3.38Å
277Q71Confident70.4Confident99 Ų9998.6 Ų98.646%0.46350%0.504SS..Hα-helixtrans-62.1-45.7177.2-75.8176.3-21.900112.3I273 Y274 S280 F281I273-Q277 HydrophobicContact CG2-CG 4.34Å; I273-Q277 WeakPolarHBondContact O-CB 3.27Å; I273-Q277 VanDerWaalsContact O-CG 3.3Å; I273-Q277 WeakPolarHBondContact O-CG 3.31Å; I273-Q277 PolarHBondContact O-N 2.97Å; Y274-Q277 PolarHBondContact O-N 2.9Å; Q277-S280 WeakPolarHBondContact O-CB 3.34Å; Q277-S280 PolarHBondContact O-N 3.44Å; Q277-S280 PolarHBondContact O-OG 2.64Å; Q277-F281 PolarHBondContact O-N 3.44Å; Q277-F281 VanDerWaalsContact O-N 3.08Å
278L70.1Confident68.8Low103 Ų103101.9 Ų101.954%0.53951%0.512SS..Hα-helixtrans-62.2-46.8176-77.9166.4000111.6Y274 S280 F281 F282Y274-L278 WeakPolarHBondContact O-CB 3.49Å; Y274-L278 WeakPolarHBondContact O-CG 3.27Å; Y274-L278 PolarHBondContact O-N 3.3Å; L278-S280 PolarHBondContact O-N 3.31Å; L278-F281 WeakPolarHBondContact O-CB 3.35Å; L278-F281 PolarHBondContact O-N 2.96Å; L278-F282 WeakPolarHBondContact O-CD2 3.48Å; L278-F282 PolarHBondContact O-N 3.46Å; L278-F282 VanDerWaalsContact O-N 3.15Å
279N65.1Low67.4Low53 Ų53101 Ų10128%0.28351%0.511SS..Hα-helixtrans-60.5-33.8174.8-80.8-54.3000112.2F275 L276 F281 F282 F283F275-N279 VanDerWaalsContact CD1-ND2 3.32Å; F275-N279 WeakPolarHBondContact CD1-ND2 3.42Å; F275-N279 WeakPolarHBondContact CE1-ND2 3.37Å; F275-N279 WeakPolarHBondContact CZ-ND2 3.26Å; F275-N279 WeakPolarHBondContact O-CB 3.49Å; F275-N279 PolarHBondContact O-N 2.95Å; F275-N279 PolarHBondContact O-ND2 3.05Å; L276-N279 PolarHBondContact O-N 3.34Å; N279-F281 VanDerWaalsContact C-N 3.31Å; N279-F281 PolarHBondContact O-N 2.65Å; N279-F282 PolarHBondContact O-N 2.74Å; N279-F283 WeakPolarHBondContact O-CB 3.35Å; N279-F283 PolarHBondContact O-N 2.61Å
280S58.6Low65.8Low21 Ų2197.7 Ų97.715%0.14749%0.493CS..Hα-helixtrans-67.8-29.1174.289.90000114.7L276 Q277 L278 S286 I290L276-S280 WeakPolarHBondContact O-CB 3.22Å; L276-S280 PolarHBondContact O-N 2.64Å; Q277-S280 WeakPolarHBondContact O-CB 3.34Å; Q277-S280 PolarHBondContact O-N 3.44Å; Q277-S280 PolarHBondContact O-OG 2.64Å; L278-S280 PolarHBondContact O-N 3.31Å; S280-S286 VanDerWaalsContact CA-OG 3.23Å; S280-S286 WeakPolarHBondContact CA-OG 3.36Å; S280-I290 VanDerWaalsContact CB-CD1 3.42Å
281F60.9Low64.8Low156 Ų15696.6 Ų96.668%0.68449%0.493SS*.Hα-helixtrans-71.4-42.8175-168.6-94.6000110.7Q277 L278 N279Q277-F281 PolarHBondContact O-N 3.44Å; Q277-F281 VanDerWaalsContact O-N 3.08Å; L278-F281 WeakPolarHBondContact O-CB 3.35Å; L278-F281 PolarHBondContact O-N 2.96Å; N279-F281 VanDerWaalsContact C-N 3.31Å; N279-F281 PolarHBondContact O-N 2.65Å
282F61.8Low63.8Low150 Ų15094.7 Ų94.766%0.65848%0.475SS*.Hα-helixtrans-80.9-26.7179.3-77.6-82.5000114L278 N279L278-F282 WeakPolarHBondContact O-CD2 3.48Å; L278-F282 PolarHBondContact O-N 3.46Å; L278-F282 VanDerWaalsContact O-N 3.15Å; N279-F282 PolarHBondContact O-N 2.74Å
283F63.5Low62.8Low131 Ų13195.2 Ų95.258%0.57548%0.477SS*.  trans-127.394.8-177.8-64.3-84.3000111.6N279 A285 S286N279-F283 WeakPolarHBondContact O-CB 3.35Å; N279-F283 PolarHBondContact O-N 2.61Å; F283-A285 PolarHBondContact O-N 2.89Å; F283-A285 VanDerWaalsContact O-N 3.09Å; F283-S286 PolarHBondContact O-N 3.19Å; F283-S286 PolarHBondContact O-OG 3.39Å
284P56Low62.1Low102 Ų10295.5 Ų95.566%0.66250%0.497SS*.G310 helixtrans-57.4-28.9-176.9-24.432.4000114.4S286 R287P284-S286 PolarHBondContact O-N 2.87Å; P284-R287 PolarHBondContact O-N 3.49Å
285A59.6Low61.7Low97 Ų9791 Ų9180%0.80248%0.48SS*.G310 helixtrans-60.5-25.3176.400000113.1F283F283-A285 PolarHBondContact O-N 2.89Å; F283-A285 VanDerWaalsContact O-N 3.09Å
286S55.1Low61.2Low35 Ų3587.3 Ų87.325%0.24547%0.471CS..G310 helixtrans-83.8-11.2-179.769.30000114.6S280 F283 P284 R288 A289 I290S280-S286 VanDerWaalsContact CA-OG 3.23Å; S280-S286 WeakPolarHBondContact CA-OG 3.36Å; F283-S286 PolarHBondContact O-N 3.19Å; F283-S286 PolarHBondContact O-OG 3.39Å; P284-S286 PolarHBondContact O-N 2.87Å; S286-R288 VanDerWaalsContact C-N 3.25Å; S286-R288 PolarHBondContact O-N 3.17Å; S286-A289 PolarHBondContact O-N 3.33Å; S286-I290 PolarHBondContact O-N 3.06Å
287R52.3Low61.2Low165 Ų16590.1 Ų90.162%0.62349%0.491SS*.Hα-helixtrans-58-33.4176.7-84.6-171.7-174.4-132.22113.5P284P284-R287 PolarHBondContact O-N 3.49Å
288R56.2Low61.4Low172 Ų17288.7 Ų88.765%0.64950%0.496SS*.Hα-helixtrans-65.7-44.3-178.3-79.2-175.9176.6-172.9-2.8111.5S286 I290 S291 W303S286-R288 VanDerWaalsContact C-N 3.25Å; S286-R288 PolarHBondContact O-N 3.17Å; R288-I290 PolarHBondContact O-N 3.42Å; R288-S291 PolarHBondContact O-OG 3.2Å; R288-S291 VanDerWaalsContact O-OG 3.13Å; R288-W303 WeakPolarHBondContact O-CZ2 3.41Å
289A57.4Low61.4Low65 Ų6588.5 Ų88.554%0.53749%0.493SS..Hα-helixtrans-67.2-34.3-179.300000113.4S286 S291 Y292S286-A289 PolarHBondContact O-N 3.33Å; A289-S291 PolarHBondContact O-N 3.47Å; A289-Y292 VanDerWaalsContact O-CB 3.27Å; A289-Y292 WeakPolarHBondContact O-CB 3.27Å; A289-Y292 PolarHBondContact O-N 3.06Å
290I53.1Low61.3Low39 Ų3990.5 Ų90.520%0.250%0.496CS..Hα-helixtrans-75.7-24.4-174.8-68.2162.1000113L276 S280 S286 R288 Y292 V293L276-I290 HydrophobicContact CB-CD1 4.06Å; L276-I290 HydrophobicContact CB-CG1 4.27Å; L276-I290 WeakPolarHBondContact O-CD1 3.38Å; S280-I290 VanDerWaalsContact CB-CD1 3.42Å; S286-I290 PolarHBondContact O-N 3.06Å; R288-I290 PolarHBondContact O-N 3.42Å; I290-Y292 PolarHBondContact O-N 3.08Å; I290-V293 PolarHBondContact O-N 2.64Å
291S62.5Low61.9Low52 Ų5296.5 Ų96.536%0.36452%0.519SS..THydrogen-bonded Turntrans-59.7-9.7173.981.60000113.7R288 A289 K295 W303R288-S291 PolarHBondContact O-OG 3.2Å; R288-S291 VanDerWaalsContact O-OG 3.13Å; A289-S291 PolarHBondContact O-N 3.47Å; S291-K295 WeakPolarHBondContact O-CD 3.35Å; S291-K295 WeakPolarHBondContact O-CE 3.48Å; S291-K295 WeakPolarHBondContact O-CG 3.49Å; S291-K295 PolarHBondContact O-NZ 3.23Å; S291-K295 PolarHBondContact OG-NZ 2.83Å; S291-W303 PolarHBondContact OG-NE1 2.84Å
292Y58.3Low62.1Low66 Ų6697.9 Ų97.926%0.25952%0.52SS..THydrogen-bonded Turntrans-81-31.6174.5-169-102.3000113.5A289 I290 G294 K295 R300 W303 F304A289-Y292 VanDerWaalsContact O-CB 3.27Å; A289-Y292 WeakPolarHBondContact O-CB 3.27Å; A289-Y292 PolarHBondContact O-N 3.06Å; I290-Y292 PolarHBondContact O-N 3.08Å; Y292-G294 PolarHBondContact O-N 3.49Å; Y292-K295 PolarHBondContact O-N 3.28Å; Y292-R300 HydrophobicContact CD2-CB 4.19Å; Y292-R300 HydrophobicContact CD2-CG 3.93Å; Y292-R300 HydrophobicContact CE1-CG 4.14Å; Y292-R300 HydrophobicContact CE2-CB 3.4Å; Y292-R300 HydrophobicContact CE2-CG 3.47Å; Y292-R300 VanDerWaalsContact CE2-CG 3.47Å; Y292-R300 HydrophobicContact CG-CG 4.44Å; Y292-R300 VanDerWaalsContact CZ-CD 3.48Å; Y292-R300 WeakPolarHBondContact OH-CD 3.49Å; Y292-W303 HydrophobicContact CD2-CD2 4.14Å; Y292-W303 AromaticContact CD2-CE3 3.59Å; Y292-W303 HydrophobicContact CD2-CE3 3.59Å; Y292-W303 HydrophobicContact CD2-CZ3 4.18Å; Y292-W303 HydrophobicContact CE2-CE3 4.27Å; Y292-W303 HydrophobicContact CG-CE3 4.44Å; Y292-F304 HydrophobicContact CD2-CE2 4.3Å; Y292-F304 AromaticContact CE2-CD2 3.63Å; Y292-F304 HydrophobicContact CE2-CD2 3.63Å; Y292-F304 AromaticContact CE2-CE2 3.4Å; Y292-F304 HydrophobicContact CE2-CE2 3.4Å; Y292-F304 VanDerWaalsContact CE2-CE2 3.4Å; Y292-F304 AromaticContact CZ-CE2 3.62Å; Y292-F304 WeakPolarHBondContact OH-CE2 3.45Å
293V59.3Low62.3Low74 Ų7493.1 Ų93.145%0.44850%0.498SS..THydrogen-bonded Turntrans-78.5116-176.1-175.20000108.5I290I290-V293 PolarHBondContact O-N 2.64Å
294G60.9Low62.1Low73 Ų7391.8 Ų91.875%0.75349%0.492SS*.THydrogen-bonded Turntrans103.2-10-174.900000115Y292Y292-G294 PolarHBondContact O-N 3.49Å
295K65Low62.8Low53 Ų5392.1 Ų92.123%0.2349%0.485CS..  trans-72.5138.3172.3-81.2-178.9178.5148.70111.2S291 Y292 Q299 R300 W303S291-K295 WeakPolarHBondContact O-CD 3.35Å; S291-K295 WeakPolarHBondContact O-CE 3.48Å; S291-K295 WeakPolarHBondContact O-CG 3.49Å; S291-K295 PolarHBondContact O-NZ 3.23Å; S291-K295 PolarHBondContact OG-NZ 2.83Å; Y292-K295 PolarHBondContact O-N 3.28Å; K295-Q299 VanDerWaalsContact CA-OE1 3.25Å; K295-Q299 HydrophobicContact CB-CB 3.57Å; K295-Q299 HydrophobicContact CD-CB 4Å; K295-Q299 HydrophobicContact CG-CB 3.75Å; K295-R300 HydrophobicContact CB-CG 3.82Å; K295-R300 PolarHBondContact O-NE 3.12Å; K295-W303 HydrophobicContact CD-CB 4.29Å
296S66.3Low63Low59 Ų5991.7 Ų91.741%0.41348%0.475SS..  trans-57.6159.5168.874.10000110.7A298 Q299 R300S296-A298 PolarHBondContact O-N 3.02Å; S296-A298 VanDerWaalsContact O-N 3.13Å; S296-Q299 WeakPolarHBondContact O-CA 3.47Å; S296-Q299 PolarHBondContact O-N 2.7Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.95Å; S296-R300 WeakPolarHBondContact O-CG 3.48Å; S296-R300 PolarHBondContact O-N 3.31Å
297T73.3Confident63.1Low128 Ų12894.2 Ų94.279%0.78548%0.482SS*.Hα-helixtrans-51.3-38.5176.312.60000112K301T297-K301 PolarHBondContact O-N 3.3Å
298A73.7Confident63.4Low68 Ų6891.9 Ų91.956%0.56248%0.482SS*.Hα-helixtrans-66.7-42.2174.800000113.1S296 K301 R302S296-A298 PolarHBondContact O-N 3.02Å; S296-A298 VanDerWaalsContact O-N 3.13Å; A298-K301 PolarHBondContact O-N 2.99Å; A298-R302 PolarHBondContact O-N 3.3Å
299Q71.2Confident63.3Low100 Ų10088.4 Ų88.447%0.46748%0.484SS..Hα-helixtrans-68.9-33.3178-72.9171.1-21.700112.5K295 S296 W303K295-Q299 VanDerWaalsContact CA-OE1 3.25Å; K295-Q299 HydrophobicContact CB-CB 3.57Å; K295-Q299 HydrophobicContact CD-CB 4Å; K295-Q299 HydrophobicContact CG-CB 3.75Å; S296-Q299 WeakPolarHBondContact O-CA 3.47Å; S296-Q299 PolarHBondContact O-N 2.7Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.95Å; Q299-W303 WeakPolarHBondContact O-CB 3.46Å; Q299-W303 PolarHBondContact O-N 3.33Å
300R62.9Low62.9Low95 Ų9592.9 Ų92.936%0.35849%0.493SS..Hα-helixtrans-64.4-42.3175.1-72.9180-165.8-158.44.9112Y292 K295 S296 W303 F304Y292-R300 HydrophobicContact CD2-CB 4.19Å; Y292-R300 HydrophobicContact CD2-CG 3.93Å; Y292-R300 HydrophobicContact CE1-CG 4.14Å; Y292-R300 HydrophobicContact CE2-CB 3.4Å; Y292-R300 HydrophobicContact CE2-CG 3.47Å; Y292-R300 VanDerWaalsContact CE2-CG 3.47Å; Y292-R300 HydrophobicContact CG-CG 4.44Å; Y292-R300 VanDerWaalsContact CZ-CD 3.48Å; Y292-R300 WeakPolarHBondContact OH-CD 3.49Å; K295-R300 HydrophobicContact CB-CG 3.82Å; K295-R300 PolarHBondContact O-NE 3.12Å; S296-R300 WeakPolarHBondContact O-CG 3.48Å; S296-R300 PolarHBondContact O-N 3.31Å; R300-W303 PolarHBondContact O-N 3.41Å; R300-F304 PolarHBondContact O-N 3.49Å
301K70.5Confident62.4Low146 Ų146101.3 Ų101.364%0.63553%0.532SS*.Hα-helixtrans-62.2-48.9178.6-146.7-179.6-174.7-1730111.7T297 A298 W303 F304 E305T297-K301 PolarHBondContact O-N 3.3Å; A298-K301 PolarHBondContact O-N 2.99Å; K301-W303 VanDerWaalsContact C-N 3.29Å; K301-W303 PolarHBondContact O-N 2.91Å; K301-F304 PolarHBondContact O-N 2.98Å; K301-E305 WeakPolarHBondContact O-CG 3.36Å; K301-E305 PolarHBondContact O-N 3.3Å
302R66.1Low62.4Low185 Ų185103.8 Ų103.870%0.69854%0.54SS*.Hα-helixtrans-60.7-36.1173.9-77.4-174.3-178172.31.5113.3A298 E305 C306A298-R302 PolarHBondContact O-N 3.3Å; R302-E305 PolarHBondContact O-N 3.08Å; R302-C306 PolarHBondContact O-N 2.97Å
303W64.6Low62.6Low51 Ų51105.7 Ų105.719%0.19356%0.555CS.*Hα-helixtrans-65.6-42.3178.1-171.475.3000111.8R288 S291 Y292 K295 Q299 R300 K301 C306 F307R288-W303 WeakPolarHBondContact O-CZ2 3.41Å; S291-W303 PolarHBondContact OG-NE1 2.84Å; Y292-W303 HydrophobicContact CD2-CD2 4.14Å; Y292-W303 AromaticContact CD2-CE3 3.59Å; Y292-W303 HydrophobicContact CD2-CE3 3.59Å; Y292-W303 HydrophobicContact CD2-CZ3 4.18Å; Y292-W303 HydrophobicContact CE2-CE3 4.27Å; Y292-W303 HydrophobicContact CG-CE3 4.44Å; K295-W303 HydrophobicContact CD-CB 4.29Å; Q299-W303 WeakPolarHBondContact O-CB 3.46Å; Q299-W303 PolarHBondContact O-N 3.33Å; R300-W303 PolarHBondContact O-N 3.41Å; K301-W303 VanDerWaalsContact C-N 3.29Å; K301-W303 PolarHBondContact O-N 2.91Å; W303-C306 PolarHBondContact O-N 3.23Å; W303-F307 AromaticContact CH2-CD2 3.79Å; W303-F307 HydrophobicContact CH2-CD2 3.79Å; W303-F307 HydrophobicContact CH2-CE2 4.16Å; W303-F307 HydrophobicContact CH2-CG 4.49Å; W303-F307 HydrophobicContact CZ2-CD2 4.11Å; W303-F307 HydrophobicContact CZ3-CD2 4.31Å; W303-F307 PolarHBondContact O-N 3.32Å
304F61Low62.8Low103 Ų103107.5 Ų107.545%0.45256%0.561SS.*Hα-helixtrans-62.4-44.6172.4-94.8-73.5000112.4Y292 R300 K301 C306 F307 D308Y292-F304 HydrophobicContact CD2-CE2 4.3Å; Y292-F304 AromaticContact CE2-CD2 3.63Å; Y292-F304 HydrophobicContact CE2-CD2 3.63Å; Y292-F304 AromaticContact CE2-CE2 3.4Å; Y292-F304 HydrophobicContact CE2-CE2 3.4Å; Y292-F304 VanDerWaalsContact CE2-CE2 3.4Å; Y292-F304 AromaticContact CZ-CE2 3.62Å; Y292-F304 WeakPolarHBondContact OH-CE2 3.45Å; R300-F304 PolarHBondContact O-N 3.49Å; K301-F304 PolarHBondContact O-N 2.98Å; F304-C306 VanDerWaalsContact C-N 3.3Å; F304-C306 PolarHBondContact O-N 2.99Å; F304-F307 WeakPolarHBondContact O-CA 3.48Å; F304-F307 WeakPolarHBondContact O-CB 3.18Å; F304-F307 PolarHBondContact O-N 3.46Å; F304-D308 PolarHBondContact O-N 3.43Å
305E68.8Low62.9Low109 Ų109109.5 Ų109.551%0.50955%0.55SS..Hα-helixtrans-59.6-39177.4-71165.1-174.600112.5K301 R302 F307 S309K301-E305 WeakPolarHBondContact O-CG 3.36Å; K301-E305 PolarHBondContact O-N 3.3Å; R302-E305 PolarHBondContact O-N 3.08Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-S309 PolarHBondContact O-N 3.32Å; E305-S309 PolarHBondContact O-OG 3.1Å
306C64.1Low62.8Low87 Ų87113.1 Ų113.159%0.58857%0.569SS**Hα-helixtrans-69.8-29172.8-77.30000113.3R302 W303 F304R302-C306 PolarHBondContact O-N 2.97Å; W303-C306 PolarHBondContact O-N 3.23Å; F304-C306 VanDerWaalsContact C-N 3.3Å; F304-C306 PolarHBondContact O-N 2.99Å
307F57.7Low62.5Low89 Ų89116.7 Ų116.739%0.3958%0.58SS.*Hα-helixtrans-71.2-45.2179.2-165.1-91.1000111.2W303 F304 E305 S309 Q310W303-F307 AromaticContact CH2-CD2 3.79Å; W303-F307 HydrophobicContact CH2-CD2 3.79Å; W303-F307 HydrophobicContact CH2-CE2 4.16Å; W303-F307 HydrophobicContact CH2-CG 4.49Å; W303-F307 HydrophobicContact CZ2-CD2 4.11Å; W303-F307 HydrophobicContact CZ3-CD2 4.31Å; W303-F307 PolarHBondContact O-N 3.32Å; F304-F307 WeakPolarHBondContact O-CA 3.48Å; F304-F307 WeakPolarHBondContact O-CB 3.18Å; F304-F307 PolarHBondContact O-N 3.46Å; E305-F307 VanDerWaalsContact C-N 3.34Å; F307-S309 PolarHBondContact O-N 3.03Å; F307-Q310 PolarHBondContact O-N 3.48Å
308D58.5Low61.8Low116 Ų116115.9 Ų115.962%0.6257%0.565SS**Hα-helixtrans-66.8-24176.6-80.5-16.4000112.7F304 Q310F304-D308 PolarHBondContact O-N 3.43Å; D308-Q310 VanDerWaalsContact C-N 3.32Å; D308-Q310 PolarHBondContact O-N 2.71Å
309S53.9Low60.8Low99 Ų99119.5 Ų119.569%0.69257%0.565SS**THydrogen-bonded Turntrans-80.6-7.3178.9-58.40000114.2E305 F307E305-S309 PolarHBondContact O-N 3.32Å; E305-S309 PolarHBondContact O-OG 3.1Å; F307-S309 PolarHBondContact O-N 3.03Å
310Q49.1Very low60Low158 Ų158121.2 Ų121.274%0.73857%0.574SS**THydrogen-bonded Turntrans-110.56179.6-75-156.9-17.500114.6F307 D308F307-Q310 PolarHBondContact O-N 3.48Å; D308-Q310 VanDerWaalsContact C-N 3.32Å; D308-Q310 PolarHBondContact O-N 2.71Å
311Q42.7Very low59.7Low216 Ų216123.5 Ų123.5100%1.00959%0.593SS**  trans-97.30164.4-76-164.3-12.800110.4

Retrieved 311 of 311 residues in 1414.5 ms (Link to these results)

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