A0A077ZI90_TRITR Loading...

Ribosomal protein S7

AlphaFold DB , UniProt , Accession A0A077ZI90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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
1M80.2Confident83.5Confident69 Ų6998.8 Ų98.834%0.3453%0.528SS..  0135.70-169.9172.3-172.400109R11 Y13 L51 P52 V54M1-R11 PolarHBondContact N-O 3.29Å; M1-R11 PolarHBondContact O-N 2.93Å; M1-Y13 HydrophobicContact CB-CD1 3.65Å; M1-Y13 HydrophobicContact CB-CE1 3.81Å; M1-Y13 HydrophobicContact CB-CG 4.29Å; M1-Y13 VanDerWaalsContact N-CD1 3.31Å; M1-L51 HydrophobicContact CB-CD2 3.95Å; M1-L51 HydrophobicContact CG-CD2 3.99Å; M1-L51 HydrophobicContact SD-CB 4.38Å; M1-L51 HydrophobicContact SD-CD2 4.3Å; M1-P52 HydrophobicContact CE-CG 4.1Å; M1-P52 WeakPolarHBondContact CE-O 3.11Å; M1-V54 HydrophobicContact CE-CG2 4.41Å; M1-V54 HydrophobicContact SD-CG2 3.64Å
2T83.2Confident84.1Confident105 Ų10599.3 Ų99.364%0.64452%0.522SS*.  trans-74.7124.2-176.5-34.10000110L10T2-L10 HydrophobicContact CG2-CD2 4.34Å
3P85.3Confident84.7Confident11 Ų11100.5 Ų100.57%0.07152%0.517CS..  trans-71157178.228.9-34.3000111.8K5 S8 D50P3-K5 PolarHBondContact O-N 3.24Å; P3-S8 WeakPolarHBondContact CG-O 3.46Å; P3-D50 CarbonylContact C-O 3.25Å; P3-D50 VanDerWaalsContact CA-O 3.3Å; P3-D50 WeakPolarHBondContact CA-O 3.25Å; P3-D50 HydrophobicContact CB-CB 4.16Å
4K86.5Confident85.2Confident180 Ų18095.1 Ų95.178%0.78350%0.495SS*.SBendtrans-60.4-27.7177.3-172.6176.7-179.4-1790113.1D50K4-D50 PolarHBondContact N-O 3.48Å
5K83.8Confident85.8Confident149 Ų149100.9 Ų100.965%0.64851%0.507SS*.SBendtrans-84.7125.3-178.6-171.1178.3179.9-179.10110.3P3 S8P3-K5 PolarHBondContact O-N 3.24Å; K5-S8 WeakPolarHBondContact O-CB 3.37Å; K5-S8 PolarHBondContact O-N 3.06Å
6P81.9Confident86.2Confident105 Ų10595.9 Ų95.968%0.68248%0.483SS*.THydrogen-bonded Turntrans-58.2144.8175.122.5-30.7000111S8P6-S8 PolarHBondContact O-N 3.19Å
7N80.6Confident86.7Confident173 Ų17399.8 Ų99.893%0.92549%0.491SS*.THydrogen-bonded Turntrans61.217.1-179.8-53.9-24.9000116
8S81.4Confident87Confident37 Ų3796.8 Ų96.826%0.25948%0.477SS..PPolyproline II helixtrans-88.6143.7173.5-166.70000111.4P3 K5 P6P3-S8 WeakPolarHBondContact CG-O 3.46Å; K5-S8 WeakPolarHBondContact O-CB 3.37Å; K5-S8 PolarHBondContact O-N 3.06Å; P6-S8 PolarHBondContact O-N 3.19Å
9A82.9Confident87.2Confident67 Ų6798.5 Ų98.555%0.55450%0.5SS*.PPolyproline II helixtrans-58.3142.7-177.900000112.5R11A9-R11 PolarHBondContact O-N 2.85Å; A9-R11 PolarHBondContact O-NH1 2.65Å
10L86.1Confident87.4Confident127 Ų12798.2 Ų98.267%0.66550%0.499SS*.PPolyproline II helixtrans-57.6138.2176.5-65.4175.9000111T2T2-L10 HydrophobicContact CG2-CD2 4.34Å
11R87Confident87.3Confident64 Ų6499.2 Ų99.224%0.24251%0.505CS..PPolyproline II helixtrans-99.6138.6176.8-62-66.6-175.8-102.7-1.4110.5M1 A9 Y27 D50 L51M1-R11 PolarHBondContact N-O 3.29Å; M1-R11 PolarHBondContact O-N 2.93Å; A9-R11 PolarHBondContact O-N 2.85Å; A9-R11 PolarHBondContact O-NH1 2.65Å; R11-Y27 HydrophobicContact CB-CD2 4.14Å; R11-Y27 HydrophobicContact CB-CE2 3.85Å; R11-Y27 HydrophobicContact CG-CE2 4.23Å; R11-D50 IonicContact NH2-OD2 3.25Å; R11-L51 HydrophobicContact CB-CD1 3.81Å; R11-L51 HydrophobicContact CB-CD2 4Å; R11-L51 HydrophobicContact CB-CG 4.31Å; R11-L51 HydrophobicContact CG-CD1 4.26Å; R11-L51 HydrophobicContact CG-CD2 4.1Å; R11-L51 HydrophobicContact CG-CG 4.33Å
12K90.5Very high88Confident104 Ų104100.5 Ų100.545%0.45251%0.513SS..PPolyproline II helixtrans-77.7137.2175.3-58.6-170.8-179.9-168.80110Y27 I28K12-Y27 WeakPolarHBondContact O-CD2 3.44Å; K12-I28 HydrophobicContact CB-CB 4.22Å; K12-I28 HydrophobicContact CB-CD1 4.39Å; K12-I28 PolarHBondContact O-N 3.15Å; K12-I28 VanDerWaalsContact O-N 3.08Å
13Y91.3Very high88.4Confident116 Ų116100.7 Ų100.746%0.45551%0.506SS..EExtended strand (participates in β ladder)trans-144.8156.9-177.767.5-78.7000108.8M1 T25 A26M1-Y13 HydrophobicContact CB-CD1 3.65Å; M1-Y13 HydrophobicContact CB-CE1 3.81Å; M1-Y13 HydrophobicContact CB-CG 4.29Å; M1-Y13 VanDerWaalsContact N-CD1 3.31Å; Y13-T25 HydrophobicContact CD2-CG2 3.7Å; Y13-T25 HydrophobicContact CE2-CG2 4.46Å; Y13-T25 HydrophobicContact CG-CG2 4.33Å; Y13-A26 CarbonylContact C-O 3.59Å; Y13-A26 VanDerWaalsContact CA-O 3.25Å; Y13-A26 WeakPolarHBondContact CA-O 3.3Å; Y13-A26 WeakPolarHBondContact CB-O 3.49Å
14A92.4Very high88.7Confident25 Ų25101 Ų10121%0.20751%0.508CS..EExtended strand (participates in β ladder)trans-127.7145.4171.200000109.4V16 A26 I28 I58A14-V16 HydrophobicContact CB-CG2 4.18Å; A14-A26 PolarHBondContact N-O 3.14Å; A14-A26 PolarHBondContact O-N 3.44Å; A14-I28 HydrophobicContact CB-CD1 4.24Å; A14-I58 HydrophobicContact CB-CD1 3.86Å
15R93.6Very high89.1Confident181 Ų18195 Ų9568%0.68349%0.486SS*.EExtended strand (participates in β ladder)trans-84.3122.7163.4-70.2177.870.11733.6106.9E23R15-E23 IonicContact CZ-OE2 3.54Å; R15-E23 IonicContact NE-OE2 3.48Å; R15-E23 IonicContact NH2-OE2 2.77Å; R15-E23 PolarHBondContact NH2-OE2 3.19Å
16V93Very high89.5Confident21 Ų2187.9 Ų87.913%0.12746%0.455CS..EExtended strand (participates in β ladder)trans-120.8125.5-177-177.80000107.4A14 V24 A26 V41 L43 I58A14-V16 HydrophobicContact CB-CG2 4.18Å; V16-V24 HydrophobicContact CB-CG2 4.45Å; V16-V24 PolarHBondContact N-O 3.37Å; V16-V24 PolarHBondContact O-N 3.06Å; V16-A26 HydrophobicContact CG2-CB 4.26Å; V16-V41 HydrophobicContact CB-CG2 4.42Å; V16-V41 HydrophobicContact CG1-CG2 3.74Å; V16-V41 HydrophobicContact CG2-CG2 3.73Å; V16-L43 HydrophobicContact CB-CD1 4.08Å; V16-L43 HydrophobicContact CG1-CD1 3.94Å; V16-L43 HydrophobicContact CG1-CG 4.45Å; V16-L43 HydrophobicContact CG2-CD2 4.4Å; V16-I58 HydrophobicContact CG2-CD1 4.38Å
17R94.4Very high90Very high162 Ų16284.7 Ų84.761%0.61143%0.43SS*.EExtended strand (participates in β ladder)trans-82.7121.4169.5-169.1176.6-175.4-1761.9108.3E23R17-E23 HydrophobicContact CB-CG 4.41Å; R17-E23 HydrophobicContact CG-CG 4.38Å
18L91.8Very high90.5Very high47 Ų4776.6 Ų76.625%0.24639%0.387CS..  trans-75.6164.5175.2-65.9178.2000110.6N20 L21 I22 V24 L43L18-N20 WeakPolarHBondContact CB-OD1 3.4Å; L18-N20 PolarHBondContact O-N 3.12Å; L18-L21 WeakPolarHBondContact O-CA 3.47Å; L18-L21 PolarHBondContact O-N 2.87Å; L18-I22 WeakPolarHBondContact CB-O 3.44Å; L18-I22 PolarHBondContact N-O 2.88Å; L18-V24 HydrophobicContact CD1-CG1 3.73Å; L18-V24 HydrophobicContact CD1-CG2 4.14Å; L18-V24 HydrophobicContact CD2-CG2 4.09Å; L18-V24 HydrophobicContact CG-CG1 4.27Å; L18-V24 HydrophobicContact CG-CG2 3.92Å; L18-L43 HydrophobicContact CD2-CD1 3.68Å
19S90.2Very high90.8Very high129 Ų12976.7 Ų76.790%0.90239%0.386SS*.THydrogen-bonded Turntrans-59.7-26175.851.70000113.5L21S19-L21 PolarHBondContact O-N 2.88Å
20N92.3Very high90.8Very high92 Ų9275.1 Ų75.149%0.49238%0.377SS..THydrogen-bonded Turntrans-8317.2173.467-2.4000113.4L18 I22L18-N20 WeakPolarHBondContact CB-OD1 3.4Å; L18-N20 PolarHBondContact O-N 3.12Å; N20-I22 WeakPolarHBondContact ND2-CD1 3.07Å; N20-I22 PolarHBondContact O-N 3.3Å; N20-I22 WeakPolarHBondContact OD1-CB 3.09Å; N20-I22 PolarHBondContact OD1-N 3.13Å
21L86Confident90.5Very high119 Ų11976.1 Ų76.162%0.62338%0.381SS*.SBendtrans66.8-1.2179.9-47.7169.5000115.2L18 S19L18-L21 WeakPolarHBondContact O-CA 3.47Å; L18-L21 PolarHBondContact O-N 2.87Å; S19-L21 PolarHBondContact O-N 2.88Å
22I93.2Very high90.2Very high97 Ų9774.1 Ų74.150%0.49738%0.381SS..  trans-76.6133177.3-58.5-179.1000109.6L18 N20 V24L18-I22 WeakPolarHBondContact CB-O 3.44Å; L18-I22 PolarHBondContact N-O 2.88Å; N20-I22 WeakPolarHBondContact ND2-CD1 3.07Å; N20-I22 PolarHBondContact O-N 3.3Å; N20-I22 WeakPolarHBondContact OD1-CB 3.09Å; N20-I22 PolarHBondContact OD1-N 3.13Å; I22-V24 HydrophobicContact CG2-CG1 4.18Å
23E92Very high90Very high108 Ų10873 Ų7351%0.50538%0.377SS..EExtended strand (participates in β ladder)trans-88.3129.8172-64.9-172.2-179.800111.4R15 R17R15-E23 IonicContact CZ-OE2 3.54Å; R15-E23 IonicContact NE-OE2 3.48Å; R15-E23 IonicContact NH2-OE2 2.77Å; R15-E23 PolarHBondContact NH2-OE2 3.19Å; R17-E23 HydrophobicContact CB-CG 4.41Å; R17-E23 HydrophobicContact CG-CG 4.38Å
24V92.6Very high89.9Confident19 Ų1971.3 Ų71.312%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-126.3144.6176.9-61.10000110.9V16 L18 I22 L43 Y56V16-V24 HydrophobicContact CB-CG2 4.45Å; V16-V24 PolarHBondContact N-O 3.37Å; V16-V24 PolarHBondContact O-N 3.06Å; L18-V24 HydrophobicContact CD1-CG1 3.73Å; L18-V24 HydrophobicContact CD1-CG2 4.14Å; L18-V24 HydrophobicContact CD2-CG2 4.09Å; L18-V24 HydrophobicContact CG-CG1 4.27Å; L18-V24 HydrophobicContact CG-CG2 3.92Å; I22-V24 HydrophobicContact CG2-CG1 4.18Å; V24-L43 HydrophobicContact CG2-CD1 3.67Å; V24-Y56 HydrophobicContact CB-CD2 3.92Å; V24-Y56 HydrophobicContact CB-CE2 4.1Å; V24-Y56 HydrophobicContact CG1-CD2 4.21Å; V24-Y56 HydrophobicContact CG1-CE2 3.86Å; V24-Y56 HydrophobicContact CG2-CD2 4.07Å; V24-Y56 HydrophobicContact CG2-CE2 4.46Å
25T93.3Very high89.7Confident52 Ų5271.6 Ų71.632%0.31937%0.373SS..EExtended strand (participates in β ladder)trans-86.5119.1170.5-53.50000108.9Y13 V54Y13-T25 HydrophobicContact CD2-CG2 3.7Å; Y13-T25 HydrophobicContact CE2-CG2 4.46Å; Y13-T25 HydrophobicContact CG-CG2 4.33Å; T25-V54 HydrophobicContact CG2-CG2 3.96Å
26A93.5Very high89.6Confident0 Ų070.6 Ų70.60%038%0.377CS..EExtended strand (participates in β ladder)trans-115.4141178.700000111.4Y13 A14 V16 L43 Y56 I58Y13-A26 CarbonylContact C-O 3.59Å; Y13-A26 VanDerWaalsContact CA-O 3.25Å; Y13-A26 WeakPolarHBondContact CA-O 3.3Å; Y13-A26 WeakPolarHBondContact CB-O 3.49Å; A14-A26 PolarHBondContact N-O 3.14Å; A14-A26 PolarHBondContact O-N 3.44Å; V16-A26 HydrophobicContact CG2-CB 4.26Å; A26-L43 HydrophobicContact CB-CD1 4.36Å; A26-L43 HydrophobicContact CB-CD2 3.44Å; A26-L43 VanDerWaalsContact CB-CD2 3.44Å; A26-Y56 WeakPolarHBondContact CA-O 3.17Å; A26-I58 HydrophobicContact CB-CD1 4.18Å; A26-I58 HydrophobicContact CB-CG1 3.88Å
27Y92.9Very high89.4Confident39 Ų3977.9 Ų77.915%0.15341%0.409CS..EExtended strand (participates in β ladder)trans-83.1136.9176.4168.2-114.4000111.3R11 K12 P29 V48 L51 Y56 H57 I58R11-Y27 HydrophobicContact CB-CD2 4.14Å; R11-Y27 HydrophobicContact CB-CE2 3.85Å; R11-Y27 HydrophobicContact CG-CE2 4.23Å; K12-Y27 WeakPolarHBondContact O-CD2 3.44Å; Y27-P29 HydrophobicContact CD1-CB 4.46Å; Y27-P29 HydrophobicContact CE1-CB 3.93Å; Y27-P29 WeakPolarHBondContact O-CD 3.43Å; Y27-V48 HydrophobicContact CD1-CG2 3.85Å; Y27-V48 HydrophobicContact CG-CG2 3.87Å; Y27-L51 HydrophobicContact CD2-CD1 3.86Å; Y27-L51 HydrophobicContact CG-CD1 4.32Å; Y27-Y56 PolarHBondContact N-O 3.08Å; Y27-H57 AromaticContact CD1-CE1 3.98Å; Y27-H57 AromaticContact CD1-ND1 3.57Å; Y27-I58 PolarHBondContact O-N 3.38Å
28I91.2Very high89.1Confident3 Ų378.9 Ų78.92%0.01542%0.42CS..  trans-93.2110.5174-59.2170.4000108.3K12 A14 H33 L35 I58K12-I28 HydrophobicContact CB-CB 4.22Å; K12-I28 HydrophobicContact CB-CD1 4.39Å; K12-I28 PolarHBondContact O-N 3.15Å; K12-I28 VanDerWaalsContact O-N 3.08Å; A14-I28 HydrophobicContact CB-CD1 4.24Å; I28-H33 HydrophobicContact CG2-CB 3.99Å; I28-L35 HydrophobicContact CD1-CD1 4.09Å; I28-L35 HydrophobicContact CG1-CD1 4.46Å; I28-I58 HydrophobicContact CD1-CD1 4.44Å; I28-I58 HydrophobicContact CG1-CD1 3.6Å
29P86.8Confident89.1Confident38 Ų3878.3 Ų78.325%0.24742%0.421CS..  trans-77.2144.6179.831.6-33.2000112Y27 I58 R60Y27-P29 HydrophobicContact CD1-CB 4.46Å; Y27-P29 HydrophobicContact CE1-CB 3.93Å; Y27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-I58 WeakPolarHBondContact CD-O 3.23Å; P29-I58 WeakPolarHBondContact CG-O 3.2Å; P29-R60 HydrophobicContact CG-CG 3.84Å
30G82.5Confident89.2Confident34 Ų3476.5 Ų76.535%0.35140%0.404SS..SBendtrans94.6-165.8175.900000114.2
31I79.9Confident89.2Confident148 Ų14873.2 Ų73.276%0.75939%0.387SS*.SBendtrans-102.8127-178.8-56168.4000108.2
32G81.7Confident89.6Confident23 Ų2371.7 Ų71.724%0.23738%0.379CS..  trans72.3165.7-179.800000114.7
33H85.1Confident89.5Confident81 Ų8168.8 Ų68.838%0.37536%0.364SS..  trans-158.4159.4165.460.784.3000109.8I28 L35I28-H33 HydrophobicContact CG2-CB 3.99Å; H33-L35 PolarHBondContact ND1-N 2.82Å
34N88.8Confident89.6Confident80 Ų8070.2 Ų70.243%0.42837%0.365SS..  trans-107.510177.764.7-56.1000112.7R60 D64 A66N34-R60 PolarHBondContact OD1-NH1 2.59Å; N34-D64 PolarHBondContact ND2-O 2.91Å; N34-A66 VanDerWaalsContact OD1-CB 3.26Å; N34-A66 WeakPolarHBondContact OD1-CB 3.42Å; N34-A66 PolarHBondContact OD1-N 2.87Å
35L89.9Confident89.4Confident30 Ų3072 Ų7216%0.15739%0.387CS..  trans-67136.1-177.3-67.8174.7000112.3I28 H33 V41 I58 T65I28-L35 HydrophobicContact CD1-CD1 4.09Å; I28-L35 HydrophobicContact CG1-CD1 4.46Å; H33-L35 PolarHBondContact ND1-N 2.82Å; L35-V41 HydrophobicContact CD1-CG1 4.01Å; L35-V41 HydrophobicContact CD2-CG1 3.5Å; L35-V41 VanDerWaalsContact CD2-CG1 3.5Å; L35-V41 HydrophobicContact CG-CG1 4.41Å; L35-I58 HydrophobicContact CD1-CD1 4.13Å; L35-T65 HydrophobicContact CD1-CG2 4.23Å; L35-T65 HydrophobicContact CD2-CG2 3.69Å; L35-T65 HydrophobicContact CG-CG2 4.3Å
36Q90.2Very high89.3Confident160 Ų16070.8 Ų70.875%0.74839%0.385SS*.  trans-111.7175.2175.2-59.1-179.523.200110S39Q36-S39 PolarHBondContact N-OG 3.2Å; Q36-S39 PolarHBondContact O-N 3.38Å; Q36-S39 PolarHBondContact O-OG 2.81Å
37E89.2Confident89Confident174 Ų17479.9 Ų79.981%0.81342%0.42SS*.THydrogen-bonded Turntrans-60.9137.7169.2-63.2-177.4173.800109.3S39E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.23Å
38H88.6Confident88.7Confident183 Ų18378.7 Ų78.785%0.84742%0.416SS*.THydrogen-bonded Turntrans67.27.1-177.2-49.8-75000117.5
39S92Very high88.3Confident36 Ų3687.3 Ų87.325%0.25245%0.454SS..  trans-60.9140.7171.3-63.10000112.4Q36 E37 D64Q36-S39 PolarHBondContact N-OG 3.2Å; Q36-S39 PolarHBondContact O-N 3.38Å; Q36-S39 PolarHBondContact O-OG 2.81Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.23Å; S39-D64 WeakPolarHBondContact CA-OD2 2.8Å
40V91.7Very high88.2Confident91 Ų9188.8 Ų88.855%0.55246%0.459SS*.  trans-88.6125.7178.1-164.70000109.5L63 D64V40-L63 HydrophobicContact CB-CD1 4.39Å; V40-L63 HydrophobicContact CG1-CD1 3.72Å; V40-L63 VanDerWaalsContact O-CB 3.23Å; V40-L63 WeakPolarHBondContact O-CB 3.34Å; V40-D64 PolarHBondContact N-OD2 3.19Å; V40-D64 PolarHBondContact O-N 2.87Å
41V92.6Very high88.4Confident23 Ų2387.2 Ų87.214%0.13944%0.443CS..  trans-128.3144.8-176-550000111.4V16 L35 L43 I58 T65V16-V41 HydrophobicContact CB-CG2 4.42Å; V16-V41 HydrophobicContact CG1-CG2 3.74Å; V16-V41 HydrophobicContact CG2-CG2 3.73Å; L35-V41 HydrophobicContact CD1-CG1 4.01Å; L35-V41 HydrophobicContact CD2-CG1 3.5Å; L35-V41 VanDerWaalsContact CD2-CG1 3.5Å; L35-V41 HydrophobicContact CG-CG1 4.41Å; V41-L43 HydrophobicContact CG2-CD2 4.2Å; V41-I58 HydrophobicContact CB-CG1 4.49Å; V41-I58 HydrophobicContact CB-CG2 4.27Å; V41-I58 HydrophobicContact CG2-CD1 4.4Å; V41-I58 HydrophobicContact CG2-CG1 4.19Å; V41-T65 HydrophobicContact CB-CG2 3.95Å; V41-T65 HydrophobicContact CG1-CG2 3.58Å
42L93.2Very high88.7Confident86 Ų8683.8 Ų83.845%0.4543%0.43SS..  trans-88.9130.6172-178.264000109.8V59 A62 L63L42-V59 HydrophobicContact CB-CB 4.22Å; L42-V59 HydrophobicContact CD2-CB 4.23Å; L42-V59 HydrophobicContact CD2-CG1 4.37Å; L42-V59 HydrophobicContact CD2-CG2 4.26Å; L42-V59 HydrophobicContact CG-CB 4.27Å; L42-V59 HydrophobicContact CG-CG2 4.15Å; L42-V59 PolarHBondContact O-N 3.06Å; L42-A62 HydrophobicContact CB-CB 3.95Å; L42-A62 HydrophobicContact CD2-CB 3.96Å; L42-L63 HydrophobicContact CB-CD1 4.29Å
43L92.9Very high89Confident36 Ų3685.9 Ų85.919%0.18845%0.452CS..EExtended strand (participates in β ladder)trans-105.5142.1177.8-64.9-175.7000112V16 L18 V24 A26 V41 H57 I58V16-L43 HydrophobicContact CB-CD1 4.08Å; V16-L43 HydrophobicContact CG1-CD1 3.94Å; V16-L43 HydrophobicContact CG1-CG 4.45Å; V16-L43 HydrophobicContact CG2-CD2 4.4Å; L18-L43 HydrophobicContact CD2-CD1 3.68Å; V24-L43 HydrophobicContact CG2-CD1 3.67Å; A26-L43 HydrophobicContact CB-CD1 4.36Å; A26-L43 HydrophobicContact CB-CD2 3.44Å; A26-L43 VanDerWaalsContact CB-CD2 3.44Å; V41-L43 HydrophobicContact CG2-CD2 4.2Å; L43-H57 CarbonylContact C-O 3.52Å; L43-H57 WeakPolarHBondContact CA-O 3.36Å; L43-I58 HydrophobicContact CD2-CB 4.35Å; L43-I58 HydrophobicContact CD2-CG1 3.45Å; L43-I58 VanDerWaalsContact CD2-CG1 3.45Å
44R92.4Very high89.4Confident139 Ų13982.1 Ų82.153%0.52543%0.434SS..EExtended strand (participates in β ladder)trans-118.3134.5172-177.1-175.2178.7-159.3-0.4110Y56 H57 V59R44-Y56 WeakPolarHBondContact O-CA 3.39Å; R44-H57 PolarHBondContact N-O 3.2Å; R44-H57 PolarHBondContact O-N 2.92Å; R44-V59 HydrophobicContact CB-CG2 3.7Å
45G89.5Confident89.5Confident55 Ų5586.7 Ų86.757%0.56745%0.446SS*.EExtended strand (participates in β ladder)trans-62.7132.1171.700000112.3
46G90Very high89.7Confident28 Ų2889.4 Ų89.429%0.28945%0.454SS..  trans168.2127.7178.400000111.9R55 Y56 H57G46-R55 CarbonylContact C-O 3.54Å; G46-R55 VanDerWaalsContact C-O 3.25Å; G46-R55 PolarHBondContact N-O 3.3Å; G46-R55 CarbonylContact O-C 2.97Å; G46-Y56 PolarHBondContact O-N 2.91Å; G46-H57 PolarHBondContact O-CD2 2.75Å; G46-H57 PolarHBondContact O-NE2 3.25Å
47R88.8Confident89.8Confident191 Ų19184.1 Ų84.172%0.72143%0.43SS*.  trans-75.9127.4176.9-176.3178.6176.2176.81.1110.6K49R47-K49 PolarHBondContact O-N 2.89Å
48V86.3Confident89.9Confident13 Ų1375.9 Ų75.98%0.07939%0.391CS..  trans-81.1110.6168.1-176.10000108.1Y27 D50 L51 V54 H57Y27-V48 HydrophobicContact CD1-CG2 3.85Å; Y27-V48 HydrophobicContact CG-CG2 3.87Å; V48-D50 PolarHBondContact O-N 2.88Å; V48-D50 VanDerWaalsContact O-N 3.15Å; V48-L51 HydrophobicContact CB-CB 4.12Å; V48-L51 HydrophobicContact CB-CD1 4.43Å; V48-L51 HydrophobicContact CB-CG 4.45Å; V48-L51 HydrophobicContact CG1-CB 3.99Å; V48-L51 HydrophobicContact CG1-CD1 3.94Å; V48-L51 HydrophobicContact CG1-CG 3.84Å; V48-L51 PolarHBondContact O-N 2.85Å; V48-L51 VanDerWaalsContact O-N 3.14Å; V48-L51 VanDerWaalsContact O-O 3.07Å; V48-V54 HydrophobicContact CB-CB 4.46Å; V48-V54 HydrophobicContact CB-CG1 4.44Å; V48-V54 HydrophobicContact CG2-CB 4.47Å; V48-V54 HydrophobicContact CG2-CG1 3.93Å; V48-V54 PolarHBondContact N-O 2.95Å; V48-V54 VanDerWaalsContact N-O 3.12Å; V48-H57 VanDerWaalsContact CG2-CE1 3.44Å; V48-H57 WeakPolarHBondContact CG2-CE1 3.43Å
49K83.4Confident89.9Confident185 Ų18569.5 Ų69.580%0.80437%0.365SS*.THydrogen-bonded Turntrans-57.2-33.6-174.6-66-174.2179.3-174.60113.3R47R47-K49 PolarHBondContact O-N 2.89Å
50D84.3Confident89.6Confident68 Ų6870.2 Ų70.236%0.36436%0.362SS..THydrogen-bonded Turntrans-81.8-22.3-176.3-61.3-17.7000113.1P3 K4 R11 V48P3-D50 CarbonylContact C-O 3.25Å; P3-D50 VanDerWaalsContact CA-O 3.3Å; P3-D50 WeakPolarHBondContact CA-O 3.25Å; P3-D50 HydrophobicContact CB-CB 4.16Å; K4-D50 PolarHBondContact N-O 3.48Å; R11-D50 IonicContact NH2-OD2 3.25Å; V48-D50 PolarHBondContact O-N 2.88Å; V48-D50 VanDerWaalsContact O-N 3.15Å
51L86Confident89.3Confident1 Ų168.7 Ų68.71%0.00537%0.365CS..SBendtrans-109.8115.2-173.6-63.5177.6000110.6M1 R11 Y27 V48 V54M1-L51 HydrophobicContact CB-CD2 3.95Å; M1-L51 HydrophobicContact CG-CD2 3.99Å; M1-L51 HydrophobicContact SD-CB 4.38Å; M1-L51 HydrophobicContact SD-CD2 4.3Å; R11-L51 HydrophobicContact CB-CD1 3.81Å; R11-L51 HydrophobicContact CB-CD2 4Å; R11-L51 HydrophobicContact CB-CG 4.31Å; R11-L51 HydrophobicContact CG-CD1 4.26Å; R11-L51 HydrophobicContact CG-CD2 4.1Å; R11-L51 HydrophobicContact CG-CG 4.33Å; Y27-L51 HydrophobicContact CD2-CD1 3.86Å; Y27-L51 HydrophobicContact CG-CD1 4.32Å; V48-L51 HydrophobicContact CB-CB 4.12Å; V48-L51 HydrophobicContact CB-CD1 4.43Å; V48-L51 HydrophobicContact CB-CG 4.45Å; V48-L51 HydrophobicContact CG1-CB 3.99Å; V48-L51 HydrophobicContact CG1-CD1 3.94Å; V48-L51 HydrophobicContact CG1-CG 3.84Å; V48-L51 PolarHBondContact O-N 2.85Å; V48-L51 VanDerWaalsContact O-N 3.14Å; V48-L51 VanDerWaalsContact O-O 3.07Å; L51-V54 HydrophobicContact CB-CB 3.88Å; L51-V54 HydrophobicContact CB-CG2 3.73Å; L51-V54 HydrophobicContact CD1-CB 4.46Å; L51-V54 HydrophobicContact CD1-CG2 4.17Å
52P86.3Confident88.9Confident77 Ų7768.6 Ų68.650%0.537%0.367SS..THydrogen-bonded Turntrans-64.7138.8176.526.9-31.5000110.2M1 V54M1-P52 HydrophobicContact CE-CG 4.1Å; M1-P52 WeakPolarHBondContact CE-O 3.11Å; P52-V54 PolarHBondContact O-N 2.87Å; P52-V54 VanDerWaalsContact O-N 3.13Å
53G88.9Confident88.8Confident67 Ų6770.1 Ų70.169%0.69138%0.375SS*.THydrogen-bonded Turntrans77.9-17.8178.100000116.4R55G53-R55 PolarHBondContact O-N 3.49Å
54V91.6Very high88.7Confident1 Ų172 Ų721%0.00639%0.385CS..  trans-83.1107.9-177.7-175.50000111.2M1 T25 V48 L51 P52M1-V54 HydrophobicContact CE-CG2 4.41Å; M1-V54 HydrophobicContact SD-CG2 3.64Å; T25-V54 HydrophobicContact CG2-CG2 3.96Å; V48-V54 HydrophobicContact CB-CB 4.46Å; V48-V54 HydrophobicContact CB-CG1 4.44Å; V48-V54 HydrophobicContact CG2-CB 4.47Å; V48-V54 HydrophobicContact CG2-CG1 3.93Å; V48-V54 PolarHBondContact N-O 2.95Å; V48-V54 VanDerWaalsContact N-O 3.12Å; L51-V54 HydrophobicContact CB-CB 3.88Å; L51-V54 HydrophobicContact CB-CG2 3.73Å; L51-V54 HydrophobicContact CD1-CB 4.46Å; L51-V54 HydrophobicContact CD1-CG2 4.17Å; P52-V54 PolarHBondContact O-N 2.87Å; P52-V54 VanDerWaalsContact O-N 3.13Å
55R91.2Very high88.4Confident176 Ų17665.6 Ų65.666%0.66436%0.361SS*.  trans-110-0.2-176.1-62.5-176.4-177.8-1711.4114.4G46 G53G46-R55 CarbonylContact C-O 3.54Å; G46-R55 VanDerWaalsContact C-O 3.25Å; G46-R55 PolarHBondContact N-O 3.3Å; G46-R55 CarbonylContact O-C 2.97Å; G53-R55 PolarHBondContact O-N 3.49Å
56Y94Very high88.2Confident87 Ų8765 Ų6534%0.34135%0.351SS..EExtended strand (participates in β ladder)trans-129.3145.4-177.6-60.3-77.5000110.9V24 A26 Y27 R44 G46V24-Y56 HydrophobicContact CB-CD2 3.92Å; V24-Y56 HydrophobicContact CB-CE2 4.1Å; V24-Y56 HydrophobicContact CG1-CD2 4.21Å; V24-Y56 HydrophobicContact CG1-CE2 3.86Å; V24-Y56 HydrophobicContact CG2-CD2 4.07Å; V24-Y56 HydrophobicContact CG2-CE2 4.46Å; A26-Y56 WeakPolarHBondContact CA-O 3.17Å; Y27-Y56 PolarHBondContact N-O 3.08Å; R44-Y56 WeakPolarHBondContact O-CA 3.39Å; G46-Y56 PolarHBondContact O-N 2.91Å
57H92.6Very high87.8Confident49 Ų4965.8 Ų65.823%0.22736%0.359CS..EExtended strand (participates in β ladder)trans-112.7137.5172.4-67-107.2000109Y27 L43 R44 G46 V48Y27-H57 AromaticContact CD1-CE1 3.98Å; Y27-H57 AromaticContact CD1-ND1 3.57Å; L43-H57 CarbonylContact C-O 3.52Å; L43-H57 WeakPolarHBondContact CA-O 3.36Å; R44-H57 PolarHBondContact N-O 3.2Å; R44-H57 PolarHBondContact O-N 2.92Å; G46-H57 PolarHBondContact O-CD2 2.75Å; G46-H57 PolarHBondContact O-NE2 3.25Å; V48-H57 VanDerWaalsContact CG2-CE1 3.44Å; V48-H57 WeakPolarHBondContact CG2-CE1 3.43Å
58I91.6Very high87Confident2 Ų258.6 Ų58.61%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-73128.3165.6-72.3164.7000108.5A14 V16 A26 Y27 I28 P29 L35 V41 L43 R60 T65A14-I58 HydrophobicContact CB-CD1 3.86Å; V16-I58 HydrophobicContact CG2-CD1 4.38Å; A26-I58 HydrophobicContact CB-CD1 4.18Å; A26-I58 HydrophobicContact CB-CG1 3.88Å; Y27-I58 PolarHBondContact O-N 3.38Å; I28-I58 HydrophobicContact CD1-CD1 4.44Å; I28-I58 HydrophobicContact CG1-CD1 3.6Å; P29-I58 WeakPolarHBondContact CD-O 3.23Å; P29-I58 WeakPolarHBondContact CG-O 3.2Å; L35-I58 HydrophobicContact CD1-CD1 4.13Å; V41-I58 HydrophobicContact CB-CG1 4.49Å; V41-I58 HydrophobicContact CB-CG2 4.27Å; V41-I58 HydrophobicContact CG2-CD1 4.4Å; V41-I58 HydrophobicContact CG2-CG1 4.19Å; L43-I58 HydrophobicContact CD2-CB 4.35Å; L43-I58 HydrophobicContact CD2-CG1 3.45Å; L43-I58 VanDerWaalsContact CD2-CG1 3.45Å; I58-R60 PolarHBondContact O-N 3.23Å; I58-T65 HydrophobicContact CG2-CG2 3.41Å; I58-T65 VanDerWaalsContact CG2-CG2 3.41Å
59V89.6Confident86Confident48 Ų4865 Ų6529%0.29137%0.37SS..  trans-80.9115.4174.5-178.70000107.7L42 R44 A62 T65L42-V59 HydrophobicContact CB-CB 4.22Å; L42-V59 HydrophobicContact CD2-CB 4.23Å; L42-V59 HydrophobicContact CD2-CG1 4.37Å; L42-V59 HydrophobicContact CD2-CG2 4.26Å; L42-V59 HydrophobicContact CG-CB 4.27Å; L42-V59 HydrophobicContact CG-CG2 4.15Å; L42-V59 PolarHBondContact O-N 3.06Å; R44-V59 HydrophobicContact CB-CG2 3.7Å; V59-A62 HydrophobicContact CB-CB 4.41Å; V59-A62 HydrophobicContact CG1-CB 4.08Å; V59-T65 PolarHBondContact O-OG1 3.2Å
60R84.6Confident84.6Confident51 Ų5163.9 Ų63.919%0.19237%0.373CS..THydrogen-bonded Turntrans-77.4148.2175.2-64.4-75.7-87.9151.64.3110.4P29 N34 I58 A62 T65 A66P29-R60 HydrophobicContact CG-CG 3.84Å; N34-R60 PolarHBondContact OD1-NH1 2.59Å; I58-R60 PolarHBondContact O-N 3.23Å; R60-A62 VanDerWaalsContact C-N 3.3Å; R60-T65 WeakPolarHBondContact CA-OG1 3.44Å; R60-A66 PolarHBondContact NE-O 2.75Å; R60-A66 VanDerWaalsContact NE-O 3.14Å; R60-A66 PolarHBondContact NH1-O 3.06Å; R60-A66 PolarHBondContact NH2-O 3.24Å
61G85.9Confident83.1Confident60 Ų6066 Ų6662%0.61938%0.381SS*.THydrogen-bonded Turntrans78.814.1-176.200000113.6T65G61-T65 VanDerWaalsContact CA-O 3.28Å; G61-T65 WeakPolarHBondContact CA-O 3.11Å; G61-T65 PolarHBondContact N-O 3.43Å; G61-T65 PolarHBondContact N-OG1 3.19Å
62A83.6Confident81.1Confident21 Ų2175.2 Ų75.217%0.17442%0.421CS..SBendtrans-126.7136.6176.400000109.8L42 V59 R60 D64 T65L42-A62 HydrophobicContact CB-CB 3.95Å; L42-A62 HydrophobicContact CD2-CB 3.96Å; V59-A62 HydrophobicContact CB-CB 4.41Å; V59-A62 HydrophobicContact CG1-CB 4.08Å; R60-A62 VanDerWaalsContact C-N 3.3Å; A62-D64 PolarHBondContact O-N 3.34Å; A62-T65 PolarHBondContact N-OG1 3.49Å; A62-T65 PolarHBondContact O-N 3.01Å; A62-T65 PolarHBondContact O-OG1 3.22Å
63L90.5Very high79.1Confident117 Ų11776.8 Ų76.861%0.61343%0.429SS*.THydrogen-bonded Turntrans52.4-131.2-176-53.2175000110.6V40 L42 T65V40-L63 HydrophobicContact CB-CD1 4.39Å; V40-L63 HydrophobicContact CG1-CD1 3.72Å; V40-L63 VanDerWaalsContact O-CB 3.23Å; V40-L63 WeakPolarHBondContact O-CB 3.34Å; L42-L63 HydrophobicContact CB-CD1 4.29Å; L63-T65 PolarHBondContact O-N 3.07Å
64D91.1Very high76.9Confident77 Ų7783.1 Ų83.141%0.41243%0.434SS..THydrogen-bonded Turntrans-77.6-7.7-174.5-60.6-20.1000113.7N34 S39 V40 A62 A66N34-D64 PolarHBondContact ND2-O 2.91Å; S39-D64 WeakPolarHBondContact CA-OD2 2.8Å; V40-D64 PolarHBondContact N-OD2 3.19Å; V40-D64 PolarHBondContact O-N 2.87Å; A62-D64 PolarHBondContact O-N 3.34Å; D64-A66 PolarHBondContact O-N 2.73Å
65T86.6Confident74.5Confident3 Ų392.8 Ų92.82%0.01848%0.476CS..  trans-81.5110.2-17867.60000110.3L35 V41 I58 V59 R60 G61 A62 L63L35-T65 HydrophobicContact CD1-CG2 4.23Å; L35-T65 HydrophobicContact CD2-CG2 3.69Å; L35-T65 HydrophobicContact CG-CG2 4.3Å; V41-T65 HydrophobicContact CB-CG2 3.95Å; V41-T65 HydrophobicContact CG1-CG2 3.58Å; I58-T65 HydrophobicContact CG2-CG2 3.41Å; I58-T65 VanDerWaalsContact CG2-CG2 3.41Å; V59-T65 PolarHBondContact O-OG1 3.2Å; R60-T65 WeakPolarHBondContact CA-OG1 3.44Å; G61-T65 VanDerWaalsContact CA-O 3.28Å; G61-T65 WeakPolarHBondContact CA-O 3.11Å; G61-T65 PolarHBondContact N-O 3.43Å; G61-T65 PolarHBondContact N-OG1 3.19Å; A62-T65 PolarHBondContact N-OG1 3.49Å; A62-T65 PolarHBondContact O-N 3.01Å; A62-T65 PolarHBondContact O-OG1 3.22Å; L63-T65 PolarHBondContact O-N 3.07Å
66A86Confident72Confident43 Ų4393.1 Ų93.136%0.35548%0.477SS..  trans-58.6150175.500000111.8N34 R60 D64N34-A66 VanDerWaalsContact OD1-CB 3.26Å; N34-A66 WeakPolarHBondContact OD1-CB 3.42Å; N34-A66 PolarHBondContact OD1-N 2.87Å; R60-A66 PolarHBondContact NE-O 2.75Å; R60-A66 VanDerWaalsContact NE-O 3.14Å; R60-A66 PolarHBondContact NH1-O 3.06Å; R60-A66 PolarHBondContact NH2-O 3.24Å; D64-A66 PolarHBondContact O-N 2.73Å
67G81.1Confident69.4Low45 Ų4598 Ų9846%0.46450%0.5SS..  trans-63162.5164.500000111
68V72.3Confident66.7Low40 Ų40103.7 Ų103.724%0.24253%0.527CS..  trans-104.9113.2168.9-178.90000106.8
69N64.6Low64.1Low147 Ų147112.7 Ų112.779%0.78657%0.569SS**THydrogen-bonded Turntrans-60.4141170-63.3-21.8000108
70D54.8Low61.7Low162 Ų162117.4 Ų117.487%0.86659%0.592SS**THydrogen-bonded Turntrans81.9-3.9-178.6-55.7-32.2000118.9K72D70-K72 PolarHBondContact O-N 2.73Å
71H51.6Low59.5Low112 Ų112125.8 Ų125.852%0.51962%0.623SS.*  trans-86.994153.9-73.7-55.6000107.9T73H71-T73 PolarHBondContact O-N 3.05Å
72K44.3Very low57.9Low195 Ų195130.1 Ų130.185%0.84863%0.629SS**  trans-56.681.1150.6-67.8-180-177.31770106.1D70 Y74D70-K72 PolarHBondContact O-N 2.73Å; K72-Y74 VanDerWaalsContact C-N 3.27Å; K72-Y74 PolarHBondContact O-N 3.41Å
73T44.8Very low56.2Low110 Ų110132.6 Ų132.668%0.67564%0.642SS**  trans-54.5105.6164.330.10000103H71 F75H71-T73 PolarHBondContact O-N 3.05Å; T73-F75 VanDerWaalsContact C-N 3.29Å; T73-F75 PolarHBondContact O-N 2.68Å
74Y43.2Very low54.8Low200 Ų200139.4 Ų139.478%0.78466%0.66SS**  trans-40.6106.1168.3-74.9-97.7000105.4K72 R76 M82K72-Y74 VanDerWaalsContact C-N 3.27Å; K72-Y74 PolarHBondContact O-N 3.41Å; Y74-R76 VanDerWaalsContact C-N 3.31Å; Y74-R76 PolarHBondContact O-N 3.44Å; Y74-M82 HydrophobicContact CD1-CE 4.35Å
75F40.7Very low53.3Low204 Ų204145.8 Ų145.890%0.89568%0.684SS**  trans-49.2109.2176.2-107.1-98.8000103.9T73 K77T73-F75 VanDerWaalsContact C-N 3.29Å; T73-F75 PolarHBondContact O-N 2.68Å; F75-K77 PolarHBondContact O-N 2.74Å
76R38Very low51.8Low182 Ų182147.1 Ų147.169%0.68770%0.698SS**  trans-72.672.6175.6-175.2-171.2-62.1152.18.1104.2Y74 E78Y74-R76 VanDerWaalsContact C-N 3.31Å; Y74-R76 PolarHBondContact O-N 3.44Å; R76-E78 VanDerWaalsContact C-N 3.31Å; R76-E78 PolarHBondContact O-N 2.88Å
77K39.9Very low50.9Low189 Ų189152.1 Ų152.182%0.82273%0.725SS**  trans-62109.1157.7-157.6174.5-174.2179.40103.2F75F75-K77 PolarHBondContact O-N 2.74Å
78E36.5Very low50.4Low169 Ų169156.9 Ų156.979%0.7974%0.738SS**THydrogen-bonded Turntrans-47.1144.9173.8-75.8169.8140.300109.1R76R76-E78 VanDerWaalsContact C-N 3.31Å; R76-E78 PolarHBondContact O-N 2.88Å
79E35.5Very low50.6Low191 Ų191158.9 Ų158.989%0.89376%0.759SS**THydrogen-bonded Turntrans93.2-9.2174-56.6-159.1139.600122
80L39.7Very low51.2Low147 Ų147158.7 Ų158.777%0.7775%0.751SS**  trans-10876.5161.7-71.4170.7000110.5M82L80-M82 PolarHBondContact O-N 3.24Å
81R39.4Very low52.5Low227 Ų227161.5 Ų161.586%0.85775%0.749SS**  trans-54.187.1160.9-174.5176.2161.8-168.2-6.2107.2T83R81-T83 PolarHBondContact O-N 3.2Å
82M51.5Low54.1Low151 Ų151163 Ų16374%0.74476%0.761SS**  trans-61.891.1176.7-69.6-161.7-65.500108Y74 L80 R84Y74-M82 HydrophobicContact CD1-CE 4.35Å; L80-M82 PolarHBondContact O-N 3.24Å; M82-R84 PolarHBondContact O-N 3.44Å
83T48.9Very low56.3Low73 Ų73155.6 Ų155.645%0.44873%0.732SS.*  trans-66.2116.8175.642.70000107.5R81 K85 G86R81-T83 PolarHBondContact O-N 3.2Å; T83-K85 PolarHBondContact O-N 3.14Å; T83-G86 PolarHBondContact O-N 3.27Å; T83-G86 WeakPolarHBondContact OG1-CA 3.28Å; T83-G86 PolarHBondContact OG1-N 2.9Å
84R59.9Low58.4Low261 Ų261157.2 Ų157.299%0.98574%0.736SS**THydrogen-bonded Turntrans-53.6-13.9173.3-81.2-174.9176.8-176.7-2114M82M82-R84 PolarHBondContact O-N 3.44Å
85K59.4Low60.7Low210 Ų210150.4 Ų150.491%0.91372%0.716SS**THydrogen-bonded Turntrans-131.4-0.8-178-75-171.3172.8-172.60115T83T83-K85 PolarHBondContact O-N 3.14Å
86G55.8Low63.1Low31 Ų31140.8 Ų140.832%0.3267%0.674SS.*SBendtrans-91.8144.7-175.100000112T83 I88T83-G86 PolarHBondContact O-N 3.27Å; T83-G86 WeakPolarHBondContact OG1-CA 3.28Å; T83-G86 PolarHBondContact OG1-N 2.9Å; G86-I88 PolarHBondContact O-N 3.29Å
87T67.1Low65.5Low149 Ų149137.9 Ų137.991%0.91468%0.679SS**  trans-59.4115.3172.5-440000108.9A89T87-A89 PolarHBondContact O-N 3.03Å
88I71.2Confident67.8Low145 Ų145135.5 Ų135.574%0.74467%0.672SS**PPolyproline II helixtrans-69.9128177.4-61.7166000107.7G86 K90G86-I88 PolarHBondContact O-N 3.29Å; I88-K90 PolarHBondContact O-N 2.99Å
89A76.1Confident70.2Confident82 Ų82130.2 Ų130.268%0.67865%0.646SS**PPolyproline II helixtrans-55.6130.317400000109.7T87T87-A89 PolarHBondContact O-N 3.03Å
90K77.4Confident72.8Confident142 Ų142127.3 Ų127.362%0.61764%0.636SS**PPolyproline II helixtrans-68137.9178.5-61.1179.3-172.61790108.4I88 E175I88-K90 PolarHBondContact O-N 2.99Å; K90-E175 WeakPolarHBondContact CD-OE2 3.26Å; K90-E175 VanDerWaalsContact CE-OE2 3.27Å; K90-E175 WeakPolarHBondContact CE-OE2 3.13Å; K90-E175 IonicContact NZ-OE1 2.77Å; K90-E175 PolarHBondContact NZ-OE1 3.05Å; K90-E175 IonicContact NZ-OE2 2.86Å; K90-E175 PolarHBondContact NZ-OE2 3.04Å
91R82.5Confident75.2Confident221 Ų221121 Ų12183%0.83460%0.604SS**  trans-89.3115.9176.7-65.6-179.5178.9177.6-1.8108.2
92D85.4Confident77.7Confident144 Ų144114.8 Ų114.877%0.7758%0.583SS**  trans-74147.2169.3-72.4-42.7000110.6
93V88.7Confident79.7Confident39 Ų39109.4 Ų109.424%0.23656%0.558CS.*  trans-106.7141.4173.7-65.70000109K102 T105 R106V93-K102 HydrophobicContact CG2-CB 4.14Å; V93-K102 HydrophobicContact CG2-CG 4.31Å; V93-K102 WeakPolarHBondContact O-CE 3.27Å; V93-T105 HydrophobicContact CB-CG2 4.1Å; V93-T105 HydrophobicContact CG2-CG2 4.45Å; V93-R106 HydrophobicContact CG2-CG 4.02Å
94L90.4Very high81.9Confident145 Ų145106 Ų10676%0.75954%0.536SS*.PPolyproline II helixtrans-63.8148.9169.7-62.4176.1000109.7T105L94-T105 WeakPolarHBondContact O-CG2 3.12Å; L94-T105 PolarHBondContact O-OG1 2.74Å
95P91.3Very high83.6Confident56 Ų5693.6 Ų93.636%0.36449%0.49SS..PPolyproline II helixtrans-65.5156.3172.229.3-33.7000110.8N100 K102P95-N100 WeakPolarHBondContact CB-OD1 3.12Å; P95-K102 HydrophobicContact CB-CG 4.48Å
96D90.4Very high85.2Confident3 Ų387.5 Ų87.52%0.01646%0.461CS..PPolyproline II helixtrans-68.7139.3176.7-176.770000111.5M98 Y99 N100 S101 V104 T105 Y125D96-M98 VanDerWaalsContact C-N 3.32Å; D96-M98 PolarHBondContact O-N 3.47Å; D96-M98 WeakPolarHBondContact OD2-CB 3.07Å; D96-M98 PolarHBondContact OD2-N 3.08Å; D96-Y99 PolarHBondContact OD2-N 3.19Å; D96-Y99 VanDerWaalsContact OD2-N 3.08Å; D96-N100 WeakPolarHBondContact O-CA 3.5Å; D96-N100 PolarHBondContact O-N 2.72Å; D96-S101 WeakPolarHBondContact CB-O 3.46Å; D96-S101 PolarHBondContact N-O 2.82Å; D96-S101 VanDerWaalsContact N-O 3.15Å; D96-V104 HydrophobicContact CB-CB 4.12Å; D96-V104 HydrophobicContact CB-CG1 4.19Å; D96-T105 WeakPolarHBondContact CA-OG1 3.38Å; D96-T105 PolarHBondContact N-OG1 2.85Å; D96-T105 VanDerWaalsContact N-OG1 3.14Å; D96-Y125 PolarHBondContact OD1-OH 3.43Å; D96-Y125 PolarHBondContact OD2-OH 2.94Å
97P89.2Confident87.1Confident121 Ų12186 Ų8679%0.78645%0.446SS*.THydrogen-bonded Turntrans-65.5-28.5-179.6-22.834.4000115
98M87.6Confident88.5Confident139 Ų13979 Ų7969%0.68540%0.403SS*.THydrogen-bonded Turntrans-88-50.5-174.3-170.371.5-177.400111.2D96 Y125D96-M98 VanDerWaalsContact C-N 3.32Å; D96-M98 PolarHBondContact O-N 3.47Å; D96-M98 WeakPolarHBondContact OD2-CB 3.07Å; D96-M98 PolarHBondContact OD2-N 3.08Å; M98-Y125 HydrophobicContact CB-CE1 3.94Å; M98-Y125 HydrophobicContact CG-CE1 4.47Å
99Y87.8Confident89.6Confident58 Ų5874.8 Ų74.823%0.22738%0.382CS..THydrogen-bonded Turntrans-102.70.1-175.1-64.4-84.5000113.9D96 S101 V104 Y125 F128 L140D96-Y99 PolarHBondContact OD2-N 3.19Å; D96-Y99 VanDerWaalsContact OD2-N 3.08Å; Y99-S101 PolarHBondContact O-N 2.95Å; Y99-V104 HydrophobicContact CD2-CG1 4.44Å; Y99-Y125 HydrophobicContact CD2-CE1 4.22Å; Y99-Y125 AromaticContact CE2-CD1 3.97Å; Y99-Y125 HydrophobicContact CE2-CD1 3.97Å; Y99-Y125 HydrophobicContact CE2-CE1 4.05Å; Y99-F128 HydrophobicContact CD2-CD2 4.28Å; Y99-F128 HydrophobicContact CD2-CE2 4.32Å; Y99-F128 HydrophobicContact CE1-CD2 4.41Å; Y99-F128 AromaticContact CE2-CD2 3.58Å; Y99-F128 HydrophobicContact CE2-CD2 3.58Å; Y99-F128 HydrophobicContact CE2-CE2 4.07Å; Y99-F128 AromaticContact CZ-CD2 3.65Å; Y99-L140 HydrophobicContact CD1-CB 4.37Å
100N90Very high90.5Very high129 Ų12975.8 Ų75.869%0.6937%0.368SS*.  trans51.925.5-173.7-163.227.6000114.3P95 D96P95-N100 WeakPolarHBondContact CB-OD1 3.12Å; D96-N100 WeakPolarHBondContact O-CA 3.5Å; D96-N100 PolarHBondContact O-N 2.72Å
101S90.4Very high91.3Very high15 Ų1569.5 Ų69.511%0.10534%0.341CS..  trans-109.8130.3-173.2179.40000112.4D96 Y99 L103 T105D96-S101 WeakPolarHBondContact CB-O 3.46Å; D96-S101 PolarHBondContact N-O 2.82Å; D96-S101 VanDerWaalsContact N-O 3.15Å; Y99-S101 PolarHBondContact O-N 2.95Å; S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.48Å; S101-L103 PolarHBondContact OG-N 3.32Å; S101-T105 PolarHBondContact O-N 2.87Å
102K91.8Very high92Very high96 Ų9661.8 Ų61.842%0.41732%0.315SS..Hα-helixtrans-69.6-25.7171.4-69.5-177.3178.6177.20111.9V93 P95 R106V93-K102 HydrophobicContact CG2-CB 4.14Å; V93-K102 HydrophobicContact CG2-CG 4.31Å; V93-K102 WeakPolarHBondContact O-CE 3.27Å; P95-K102 HydrophobicContact CB-CG 4.48Å; K102-R106 WeakPolarHBondContact O-CG 3.34Å; K102-R106 PolarHBondContact O-N 2.66Å; K102-R106 VanDerWaalsContact O-N 3.08Å
103L93Very high92.3Very high39 Ų3958.6 Ų58.620%0.20430%0.301CS..Hα-helixtrans-68.4-44.7179.1-67.9176000110.8S101 T105 R106 L107 F143 T178S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.48Å; S101-L103 PolarHBondContact OG-N 3.32Å; L103-T105 PolarHBondContact O-N 3.35Å; L103-R106 PolarHBondContact O-N 3.34Å; L103-R106 VanDerWaalsContact O-N 3.16Å; L103-L107 PolarHBondContact O-N 2.94Å; L103-F143 HydrophobicContact CB-CE1 4.05Å; L103-T178 HydrophobicContact CD2-CG2 4.25Å
104V95Very high92.4Very high0 Ų063.7 Ų63.70%033%0.327CS..Hα-helixtrans-61-45.4175.8179.30000110.7D96 Y99 R106 L107 I108 V124 F128 L140D96-V104 HydrophobicContact CB-CB 4.12Å; D96-V104 HydrophobicContact CB-CG1 4.19Å; Y99-V104 HydrophobicContact CD2-CG1 4.44Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 2.87Å; V104-L107 WeakPolarHBondContact O-CA 3.33Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.14Å; V104-I108 HydrophobicContact CG1-CD1 4.08Å; V104-I108 HydrophobicContact CG1-CG1 4.49Å; V104-I108 WeakPolarHBondContact O-CG1 3.35Å; V104-I108 PolarHBondContact O-N 3.49Å; V104-V124 HydrophobicContact CG1-CG1 4.24Å; V104-F128 HydrophobicContact CG1-CE2 4.24Å; V104-F128 HydrophobicContact CG2-CE2 3.94Å; V104-F128 HydrophobicContact CG2-CZ 4.26Å; V104-L140 HydrophobicContact CG2-CD1 4.11Å
105T94.7Very high92.4Very high2 Ų259.5 Ų59.51%0.01232%0.319CS..Hα-helixtrans-59.2-40175-70.60000112.5V93 L94 D96 S101 L103 I108 N109V93-T105 HydrophobicContact CB-CG2 4.1Å; V93-T105 HydrophobicContact CG2-CG2 4.45Å; L94-T105 WeakPolarHBondContact O-CG2 3.12Å; L94-T105 PolarHBondContact O-OG1 2.74Å; D96-T105 WeakPolarHBondContact CA-OG1 3.38Å; D96-T105 PolarHBondContact N-OG1 2.85Å; D96-T105 VanDerWaalsContact N-OG1 3.14Å; S101-T105 PolarHBondContact O-N 2.87Å; L103-T105 PolarHBondContact O-N 3.35Å; T105-I108 PolarHBondContact O-N 2.95Å; T105-N109 WeakPolarHBondContact O-CB 3.49Å; T105-N109 PolarHBondContact O-N 2.74Å; T105-N109 PolarHBondContact O-ND2 2.78Å
106R94.4Very high92.4Very high82 Ų8263 Ų6331%0.30933%0.329SS..Hα-helixtrans-67.7-35.4175.3-69.4-178.3-142.6148.68112.2V93 K102 L103 V104 N109 R110 T178 L182V93-R106 HydrophobicContact CG2-CG 4.02Å; K102-R106 WeakPolarHBondContact O-CG 3.34Å; K102-R106 PolarHBondContact O-N 2.66Å; K102-R106 VanDerWaalsContact O-N 3.08Å; L103-R106 PolarHBondContact O-N 3.34Å; L103-R106 VanDerWaalsContact O-N 3.16Å; V104-R106 VanDerWaalsContact C-N 3.3Å; V104-R106 PolarHBondContact O-N 2.87Å; R106-N109 PolarHBondContact O-N 2.66Å; R106-R110 WeakPolarHBondContact O-CB 3.2Å; R106-R110 PolarHBondContact O-N 3Å; R106-T178 PolarHBondContact NH1-OG1 3.16Å; R106-T178 VanDerWaalsContact NH1-OG1 3.1Å; R106-L182 HydrophobicContact CB-CD1 3.47Å; R106-L182 VanDerWaalsContact CB-CD1 3.47Å
107L95.4Very high92.5Very high0 Ų068.3 Ų68.30%035%0.348CS..Hα-helixtrans-62.7-49.6173.7-179.466.3000110.7L103 V104 N109 R110 V111 V124 F128 F143 L182 V186L103-L107 PolarHBondContact O-N 2.94Å; V104-L107 WeakPolarHBondContact O-CA 3.33Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.14Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 2.69Å; L107-R110 CarbonylContact O-C 3.44Å; L107-R110 WeakPolarHBondContact O-CA 3.43Å; L107-R110 WeakPolarHBondContact O-CB 3.15Å; L107-R110 PolarHBondContact O-N 2.78Å; L107-V111 HydrophobicContact CD1-CG2 4.29Å; L107-V111 HydrophobicContact CG-CG2 4.36Å; L107-V111 VanDerWaalsContact O-CG2 3.3Å; L107-V111 WeakPolarHBondContact O-CG2 3.02Å; L107-V111 PolarHBondContact O-N 2.77Å; L107-V124 HydrophobicContact CD2-CG1 3.92Å; L107-V124 HydrophobicContact CD2-CG2 4.22Å; L107-V124 HydrophobicContact CG-CG2 4.2Å; L107-F128 HydrophobicContact CD2-CE1 4.5Å; L107-F128 HydrophobicContact CD2-CZ 4.39Å; L107-F143 HydrophobicContact CB-CZ 4.24Å; L107-F143 HydrophobicContact CD1-CE2 4.49Å; L107-F143 HydrophobicContact CD2-CE2 3.79Å; L107-F143 HydrophobicContact CD2-CZ 3.81Å; L107-F143 HydrophobicContact CG-CZ 4.42Å; L107-L182 HydrophobicContact CB-CD2 3.92Å; L107-L182 HydrophobicContact CD1-CD2 3.86Å; L107-L182 HydrophobicContact CG-CD2 4.47Å; L107-V186 HydrophobicContact CD1-CG2 3.79Å
108I95.7Very high92.7Very high1 Ų164.8 Ų64.81%0.00533%0.334CS..Hα-helixtrans-55.3-48.7175.8-66.8168.2000110.3V104 T105 R110 V111 M112 R117 A120 V124V104-I108 HydrophobicContact CG1-CD1 4.08Å; V104-I108 HydrophobicContact CG1-CG1 4.49Å; V104-I108 WeakPolarHBondContact O-CG1 3.35Å; V104-I108 PolarHBondContact O-N 3.49Å; T105-I108 PolarHBondContact O-N 2.95Å; I108-R110 PolarHBondContact O-N 2.76Å; I108-V111 PolarHBondContact O-N 2.84Å; I108-M112 VanDerWaalsContact O-CB 3.3Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 PolarHBondContact O-N 2.83Å; I108-R117 HydrophobicContact CG2-CG 4.25Å; I108-A120 HydrophobicContact CG2-CB 4.05Å; I108-V124 HydrophobicContact CG1-CB 4.02Å; I108-V124 HydrophobicContact CG1-CG1 4.19Å; I108-V124 HydrophobicContact CG1-CG2 3.86Å
109N94.3Very high93.1Very high56 Ų5661.8 Ų61.830%0.29932%0.324SS..Hα-helixtrans-62.2-27.4177.9-71.5-25.8000113.2T105 R106 L107T105-N109 WeakPolarHBondContact O-CB 3.49Å; T105-N109 PolarHBondContact O-N 2.74Å; T105-N109 PolarHBondContact O-ND2 2.78Å; R106-N109 PolarHBondContact O-N 2.66Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 2.69Å
110R95.1Very high93.5Very high104 Ų10459.1 Ų59.139%0.39231%0.314SS..Hα-helixtrans-82.7-35.9178.2-170.467.3-164.8158.97.7112.4R106 L107 I108 M112 V186R106-R110 WeakPolarHBondContact O-CB 3.2Å; R106-R110 PolarHBondContact O-N 3Å; L107-R110 CarbonylContact O-C 3.44Å; L107-R110 WeakPolarHBondContact O-CA 3.43Å; L107-R110 WeakPolarHBondContact O-CB 3.15Å; L107-R110 PolarHBondContact O-N 2.78Å; I108-R110 PolarHBondContact O-N 2.76Å; R110-M112 VanDerWaalsContact C-N 3.33Å; R110-V186 HydrophobicContact CB-CG2 4.13Å; R110-V186 HydrophobicContact CG-CB 4Å; R110-V186 HydrophobicContact CG-CG1 4.3Å; R110-V186 HydrophobicContact CG-CG2 3.78Å
111V95Very high93.7Very high9 Ų953.8 Ų53.86%0.05529%0.287CS..Hα-helixtrans-68.9-36.2173.8174.40000110.4L107 I108 V113 A120 I123 V124 V186 R190 L201L107-V111 HydrophobicContact CD1-CG2 4.29Å; L107-V111 HydrophobicContact CG-CG2 4.36Å; L107-V111 VanDerWaalsContact O-CG2 3.3Å; L107-V111 WeakPolarHBondContact O-CG2 3.02Å; L107-V111 PolarHBondContact O-N 2.77Å; I108-V111 PolarHBondContact O-N 2.84Å; V111-V113 PolarHBondContact O-N 3.27Å; V111-A120 HydrophobicContact CG1-CB 4.34Å; V111-I123 HydrophobicContact CG1-CD1 4.45Å; V111-I123 HydrophobicContact CG1-CG2 4.18Å; V111-V124 HydrophobicContact CG2-CG2 4.05Å; V111-V186 HydrophobicContact CG2-CG1 4.4Å; V111-V186 HydrophobicContact CG2-CG2 3.81Å; V111-R190 PolarHBondContact O-NH2 3.03Å; V111-L201 HydrophobicContact CG2-CD2 4.34Å
112M95.6Very high93.9Very high59 Ų5957.5 Ų57.529%0.29131%0.305SS..  trans-54.7131.4-177.5-174.517567.200113.6I108 R110 G115 R117 A120I108-M112 VanDerWaalsContact O-CB 3.3Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 PolarHBondContact O-N 2.83Å; R110-M112 VanDerWaalsContact C-N 3.33Å; M112-G115 VanDerWaalsContact SD-C 3.6Å; M112-R117 HydrophobicContact SD-CB 3.77Å; M112-R117 HydrophobicContact SD-CG 4.38Å; M112-A120 HydrophobicContact CB-CB 3.78Å; M112-A120 HydrophobicContact CG-CB 4.33Å
113V93.1Very high94.2Very high78 Ų7854.7 Ų54.747%0.47329%0.294SS..  trans-121.3140.4174.4-177.90000108.1V111 G115 K116V111-V113 PolarHBondContact O-N 3.27Å; V113-G115 PolarHBondContact O-N 2.87Å; V113-K116 PolarHBondContact O-N 3.01Å
114D90.3Very high94.3Very high145 Ų14552.8 Ų52.878%0.77529%0.285SS*.THydrogen-bonded Turntrans53.427.4178.2-54.8-29.4000115.7K116D114-K116 PolarHBondContact O-N 3.25Å
115G89.9Confident94.4Very high58 Ų5855.9 Ų55.960%0.59830%0.297SS*.THydrogen-bonded Turntrans73.88.3-179.900000114.8M112 V113 R117M112-G115 VanDerWaalsContact SD-C 3.6Å; V113-G115 PolarHBondContact O-N 2.87Å; G115-R117 VanDerWaalsContact C-N 3.32Å; G115-R117 PolarHBondContact O-N 3.19Å
116K92.3Very high94.4Very high129 Ų12958.8 Ų58.856%0.56131%0.312SS*.  trans-76.779.2179-61-176.1-179178.20111.3V113 D114 T119 A120V113-K116 PolarHBondContact O-N 3.01Å; D114-K116 PolarHBondContact O-N 3.25Å; K116-T119 VanDerWaalsContact CB-OG1 3.26Å; K116-T119 WeakPolarHBondContact CB-OG1 3.24Å; K116-T119 PolarHBondContact O-OG1 3.43Å; K116-A120 PolarHBondContact O-N 2.82Å
117R92.4Very high94.5Very high114 Ų11454.9 Ų54.943%0.4330%0.297SS..Hα-helixtrans-68-37.6-177.5-170.4171.4-178.7161-0.3113.2I108 M112 G115 A120 S121I108-R117 HydrophobicContact CG2-CG 4.25Å; M112-R117 HydrophobicContact SD-CB 3.77Å; M112-R117 HydrophobicContact SD-CG 4.38Å; G115-R117 VanDerWaalsContact C-N 3.32Å; G115-R117 PolarHBondContact O-N 3.19Å; R117-A120 PolarHBondContact O-N 3.45Å; R117-S121 WeakPolarHBondContact O-CB 3.45Å; R117-S121 PolarHBondContact O-N 3.18Å; R117-S121 PolarHBondContact O-OG 2.82Å
118G93.7Very high94.5Very high47 Ų4754.9 Ų54.949%0.48530%0.297SS..Hα-helixtrans-59.4-50.9179.600000112.2A120 S121 N122G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.2Å; G118-S121 PolarHBondContact O-N 3.3Å; G118-N122 PolarHBondContact O-N 3.02Å; G118-N122 PolarHBondContact O-OD1 2.93Å
119T94.9Very high94.5Very high77 Ų7757.1 Ų57.147%0.47231%0.313SS..Hα-helixtrans-63.1-39.6177.455.90000112.1K116 S121 N122 I123K116-T119 VanDerWaalsContact CB-OG1 3.26Å; K116-T119 WeakPolarHBondContact CB-OG1 3.24Å; K116-T119 PolarHBondContact O-OG1 3.43Å; T119-S121 VanDerWaalsContact C-N 3.33Å; T119-S121 PolarHBondContact O-N 3.12Å; T119-N122 PolarHBondContact O-N 3.13Å; T119-I123 WeakPolarHBondContact O-CD1 3.37Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 2.94Å; T119-I123 VanDerWaalsContact O-N 3.09Å
120A95.8Very high94.5Very high2 Ų256.1 Ų56.12%0.01731%0.309CS..Hα-helixtrans-65.7-36.2177.100000112.7I108 V111 M112 K116 R117 G118 V124I108-A120 HydrophobicContact CG2-CB 4.05Å; V111-A120 HydrophobicContact CG1-CB 4.34Å; M112-A120 HydrophobicContact CB-CB 3.78Å; M112-A120 HydrophobicContact CG-CB 4.33Å; K116-A120 PolarHBondContact O-N 2.82Å; R117-A120 PolarHBondContact O-N 3.45Å; G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.2Å; A120-V124 WeakPolarHBondContact O-CG2 3.43Å; A120-V124 PolarHBondContact O-N 3.2Å
121S94.6Very high94.4Very high17 Ų1751.1 Ų51.112%0.11929%0.29CS..Hα-helixtrans-68.4-45.6177.9-51.50000110.3R117 G118 T119 I123 V124 Y125R117-S121 WeakPolarHBondContact O-CB 3.45Å; R117-S121 PolarHBondContact O-N 3.18Å; R117-S121 PolarHBondContact O-OG 2.82Å; G118-S121 PolarHBondContact O-N 3.3Å; T119-S121 VanDerWaalsContact C-N 3.33Å; T119-S121 PolarHBondContact O-N 3.12Å; S121-I123 VanDerWaalsContact C-N 3.31Å; S121-I123 PolarHBondContact O-N 3.02Å; S121-V124 PolarHBondContact O-N 2.9Å; S121-Y125 WeakPolarHBondContact O-CD2 3.34Å; S121-Y125 VanDerWaalsContact O-CG 3.31Å; S121-Y125 PolarHBondContact O-N 3.25Å
122N95.9Very high94.3Very high93 Ų9357 Ų5750%0.49732%0.315SS..Hα-helixtrans-57-45.4175.8-66.7-1.9000111.5G118 T119 V124 Y125 N126G118-N122 PolarHBondContact O-N 3.02Å; G118-N122 PolarHBondContact O-OD1 2.93Å; T119-N122 PolarHBondContact O-N 3.13Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 2.85Å; N122-Y125 PolarHBondContact O-N 2.77Å; N122-N126 VanDerWaalsContact O-CB 3.29Å; N122-N126 WeakPolarHBondContact O-CB 3.26Å; N122-N126 PolarHBondContact O-N 2.83Å; N122-N126 PolarHBondContact O-ND2 2.78Å
123I96.2Very high94.2Very high36 Ų3661.7 Ų61.719%0.18534%0.336CS..Hα-helixtrans-58.7-44.7178.5-69.9164000111.6V111 T119 S121 A127 M197 E198V111-I123 HydrophobicContact CG1-CD1 4.45Å; V111-I123 HydrophobicContact CG1-CG2 4.18Å; T119-I123 WeakPolarHBondContact O-CD1 3.37Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 2.94Å; T119-I123 VanDerWaalsContact O-N 3.09Å; S121-I123 VanDerWaalsContact C-N 3.31Å; S121-I123 PolarHBondContact O-N 3.02Å; I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.4Å; I123-A127 PolarHBondContact O-N 3.11Å; I123-M197 HydrophobicContact CD1-CB 4.36Å; I123-M197 HydrophobicContact CD1-CG 4.35Å; I123-M197 HydrophobicContact CG2-CB 4.12Å; I123-M197 HydrophobicContact CG2-CG 3.78Å; I123-E198 HydrophobicContact CB-CG 4.34Å; I123-E198 HydrophobicContact CG1-CG 4.37Å; I123-E198 HydrophobicContact CG2-CG 4.18Å
124V95.7Very high94.1Very high0 Ų061.1 Ų61.10%034%0.336CS..Hα-helixtrans-69.2-42.6-178.5172.60000111.1V104 L107 I108 V111 A120 S121 N122 A127 F128 L201V104-V124 HydrophobicContact CG1-CG1 4.24Å; L107-V124 HydrophobicContact CD2-CG1 3.92Å; L107-V124 HydrophobicContact CD2-CG2 4.22Å; L107-V124 HydrophobicContact CG-CG2 4.2Å; I108-V124 HydrophobicContact CG1-CB 4.02Å; I108-V124 HydrophobicContact CG1-CG1 4.19Å; I108-V124 HydrophobicContact CG1-CG2 3.86Å; V111-V124 HydrophobicContact CG2-CG2 4.05Å; A120-V124 WeakPolarHBondContact O-CG2 3.43Å; A120-V124 PolarHBondContact O-N 3.2Å; S121-V124 PolarHBondContact O-N 2.9Å; N122-V124 VanDerWaalsContact C-N 3.33Å; N122-V124 PolarHBondContact O-N 2.85Å; V124-A127 PolarHBondContact O-N 2.96Å; V124-F128 HydrophobicContact CG1-CE1 4.42Å; V124-F128 HydrophobicContact CG1-CE2 4.25Å; V124-F128 HydrophobicContact CG1-CZ 4.2Å; V124-F128 WeakPolarHBondContact O-CG 3.36Å; V124-F128 PolarHBondContact O-N 3.13Å; V124-L201 HydrophobicContact CG2-CD2 4.1Å
125Y96.7Very high93.9Very high65 Ų6557.3 Ų57.326%0.25532%0.315SS..Hα-helixtrans-67.9-40.4179.3-61.8-38.4000112.7D96 M98 Y99 S121 N122 F128 S129D96-Y125 PolarHBondContact OD1-OH 3.43Å; D96-Y125 PolarHBondContact OD2-OH 2.94Å; M98-Y125 HydrophobicContact CB-CE1 3.94Å; M98-Y125 HydrophobicContact CG-CE1 4.47Å; Y99-Y125 HydrophobicContact CD2-CE1 4.22Å; Y99-Y125 AromaticContact CE2-CD1 3.97Å; Y99-Y125 HydrophobicContact CE2-CD1 3.97Å; Y99-Y125 HydrophobicContact CE2-CE1 4.05Å; S121-Y125 WeakPolarHBondContact O-CD2 3.34Å; S121-Y125 VanDerWaalsContact O-CG 3.31Å; S121-Y125 PolarHBondContact O-N 3.25Å; N122-Y125 PolarHBondContact O-N 2.77Å; Y125-F128 PolarHBondContact O-N 2.86Å; Y125-S129 PolarHBondContact O-N 3.13Å
126N96.3Very high93.5Very high63 Ų6357.4 Ų57.434%0.33732%0.316SS..Hα-helixtrans-67.5-37.1175-68.7-10.3000111.4N122 F128 S129 T130 E198N122-N126 VanDerWaalsContact O-CB 3.29Å; N122-N126 WeakPolarHBondContact O-CB 3.26Å; N122-N126 PolarHBondContact O-N 2.83Å; N122-N126 PolarHBondContact O-ND2 2.78Å; N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 2.95Å; N126-S129 WeakPolarHBondContact CA-OG 3.36Å; N126-S129 PolarHBondContact O-N 3.49Å; N126-S129 PolarHBondContact O-OG 2.89Å; N126-T130 PolarHBondContact O-N 2.91Å; N126-T130 PolarHBondContact O-OG1 3.18Å; N126-T130 VanDerWaalsContact O-OG1 3.06Å; N126-E198 HydrophobicContact CB-CB 4.26Å; N126-E198 HydrophobicContact CB-CG 3.79Å; N126-E198 VanDerWaalsContact CB-OE2 3.28Å; N126-E198 WeakPolarHBondContact CB-OE2 3.43Å; N126-E198 VanDerWaalsContact ND2-CD 3.27Å; N126-E198 PolarHBondContact ND2-OE1 3.35Å; N126-E198 PolarHBondContact ND2-OE2 3.07Å
127A95.9Very high93.2Very high0 Ų055.7 Ų55.70%031%0.312CS..Hα-helixtrans-61.3-40.3171.500000111.7I123 V124 T130 I131 E198 L201 A202I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.4Å; I123-A127 PolarHBondContact O-N 3.11Å; V124-A127 PolarHBondContact O-N 2.96Å; A127-T130 PolarHBondContact O-N 3.27Å; A127-I131 VanDerWaalsContact O-CG1 3.3Å; A127-I131 WeakPolarHBondContact O-CG1 3.39Å; A127-I131 PolarHBondContact O-N 3.08Å; A127-E198 WeakPolarHBondContact CB-O 3.39Å; A127-L201 HydrophobicContact CB-CB 4.09Å; A127-L201 HydrophobicContact CB-CD2 4.02Å; A127-L201 HydrophobicContact CB-CG 4.18Å; A127-A202 HydrophobicContact CB-CB 4.14Å; A127-A202 WeakPolarHBondContact O-CB 3.44Å
128F95.8Very high93.1Very high0 Ų053.8 Ų53.80%031%0.311CS..Hα-helixtrans-68.6-34.9176.4-75.21.2000112.9Y99 V104 L107 V124 Y125 N126 I131 K132 P139 F143 I205Y99-F128 HydrophobicContact CD2-CD2 4.28Å; Y99-F128 HydrophobicContact CD2-CE2 4.32Å; Y99-F128 HydrophobicContact CE1-CD2 4.41Å; Y99-F128 AromaticContact CE2-CD2 3.58Å; Y99-F128 HydrophobicContact CE2-CD2 3.58Å; Y99-F128 HydrophobicContact CE2-CE2 4.07Å; Y99-F128 AromaticContact CZ-CD2 3.65Å; V104-F128 HydrophobicContact CG1-CE2 4.24Å; V104-F128 HydrophobicContact CG2-CE2 3.94Å; V104-F128 HydrophobicContact CG2-CZ 4.26Å; L107-F128 HydrophobicContact CD2-CE1 4.5Å; L107-F128 HydrophobicContact CD2-CZ 4.39Å; V124-F128 HydrophobicContact CG1-CE1 4.42Å; V124-F128 HydrophobicContact CG1-CE2 4.25Å; V124-F128 HydrophobicContact CG1-CZ 4.2Å; V124-F128 WeakPolarHBondContact O-CG 3.36Å; V124-F128 PolarHBondContact O-N 3.13Å; Y125-F128 PolarHBondContact O-N 2.86Å; N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 2.95Å; F128-I131 HydrophobicContact CD1-CD1 4.03Å; F128-I131 PolarHBondContact O-N 3.1Å; F128-K132 WeakPolarHBondContact O-CB 3.4Å; F128-K132 PolarHBondContact O-N 3.19Å; F128-P139 HydrophobicContact CB-CB 3.77Å; F128-P139 HydrophobicContact CB-CG 4.29Å; F128-P139 HydrophobicContact CD1-CB 4.38Å; F128-P139 HydrophobicContact CD2-CB 4.26Å; F128-P139 HydrophobicContact CG-CB 3.91Å; F128-P139 VanDerWaalsContact O-CG 3.28Å; F128-P139 WeakPolarHBondContact O-CG 3.48Å; F128-F143 HydrophobicContact CE1-CB 4.27Å; F128-F143 HydrophobicContact CE1-CD2 4.42Å; F128-F143 HydrophobicContact CE1-CG 4.29Å; F128-F143 HydrophobicContact CZ-CB 4.18Å; F128-F143 HydrophobicContact CZ-CD1 4.22Å; F128-F143 HydrophobicContact CZ-CD2 4.46Å; F128-F143 HydrophobicContact CZ-CG 4.03Å; F128-I205 HydrophobicContact CE1-CD1 4.13Å
129S94.6Very high93Very high48 Ų4851.7 Ų51.734%0.33629%0.289SS..Hα-helixtrans-64.2-42171.762.10000111.5Y125 N126 I131 K132 E133Y125-S129 PolarHBondContact O-N 3.13Å; N126-S129 WeakPolarHBondContact CA-OG 3.36Å; N126-S129 PolarHBondContact O-N 3.49Å; N126-S129 PolarHBondContact O-OG 2.89Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.32Å; S129-K132 WeakPolarHBondContact O-CB 3.3Å; S129-K132 PolarHBondContact O-N 2.99Å; S129-K132 VanDerWaalsContact O-N 3.17Å; S129-E133 WeakPolarHBondContact O-CG 3.43Å; S129-E133 PolarHBondContact O-N 3.47Å
130T94.5Very high92.9Very high34 Ų3449.4 Ų49.421%0.20927%0.274CS..Hα-helixtrans-61.2-39.6174.7-53.90000112.6N126 A127 E133 S134 A202N126-T130 PolarHBondContact O-N 2.91Å; N126-T130 PolarHBondContact O-OG1 3.18Å; N126-T130 VanDerWaalsContact O-OG1 3.06Å; A127-T130 PolarHBondContact O-N 3.27Å; T130-E133 PolarHBondContact O-N 3.08Å; T130-S134 WeakPolarHBondContact O-CB 3.17Å; T130-S134 PolarHBondContact O-N 3.31Å; T130-S134 PolarHBondContact O-OG 3.21Å; T130-A202 HydrophobicContact CG2-CB 3.98Å
131I94.2Very high92.8Very high0 Ų055.2 Ų55.20%030%0.3CS..Hα-helixtrans-63.5-44.5175.1-68.4168.4000110.4A127 F128 S129 E133 S134 I135 P139 V142 A202 I205 M206A127-I131 VanDerWaalsContact O-CG1 3.3Å; A127-I131 WeakPolarHBondContact O-CG1 3.39Å; A127-I131 PolarHBondContact O-N 3.08Å; F128-I131 HydrophobicContact CD1-CD1 4.03Å; F128-I131 PolarHBondContact O-N 3.1Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.32Å; I131-E133 VanDerWaalsContact C-N 3.34Å; I131-E133 PolarHBondContact O-N 3.27Å; I131-S134 PolarHBondContact O-N 3.14Å; I131-I135 HydrophobicContact CG2-CD1 4.38Å; I131-I135 PolarHBondContact O-N 3.16Å; I131-P139 HydrophobicContact CG2-CB 4.48Å; I131-V142 HydrophobicContact CG2-CB 4.08Å; I131-V142 HydrophobicContact CG2-CG1 3.94Å; I131-V142 HydrophobicContact CG2-CG2 4.2Å; I131-A202 HydrophobicContact CG1-CB 3.96Å; I131-I205 HydrophobicContact CD1-CB 3.94Å; I131-I205 HydrophobicContact CD1-CD1 4.18Å; I131-I205 HydrophobicContact CD1-CG2 3.71Å; I131-M206 HydrophobicContact CG1-CG 4.03Å; I131-M206 HydrophobicContact CG1-SD 4.48Å
132K93Very high92.8Very high131 Ų13154.9 Ų54.957%0.5730%0.297SS*.Hα-helixtrans-59.7-45178.4-165.5178.1-176.9178.20111.7F128 S129 S134 G136 P139F128-K132 WeakPolarHBondContact O-CB 3.4Å; F128-K132 PolarHBondContact O-N 3.19Å; S129-K132 WeakPolarHBondContact O-CB 3.3Å; S129-K132 PolarHBondContact O-N 2.99Å; S129-K132 VanDerWaalsContact O-N 3.17Å; K132-S134 VanDerWaalsContact C-N 3.31Å; K132-S134 PolarHBondContact O-N 3.48Å; K132-G136 VanDerWaalsContact O-CA 3.29Å; K132-G136 WeakPolarHBondContact O-CA 3.36Å; K132-G136 PolarHBondContact O-N 3.03Å; K132-P139 HydrophobicContact CB-CG 3.77Å; K132-P139 HydrophobicContact CG-CG 4.29Å
133E93.5Very high92.7Very high159 Ų15950.5 Ų50.574%0.74327%0.274SS*.Hα-helixtrans-65-34.5177.5-72.4170.2-170.900112.5S129 T130 I131S129-E133 WeakPolarHBondContact O-CG 3.43Å; S129-E133 PolarHBondContact O-N 3.47Å; T130-E133 PolarHBondContact O-N 3.08Å; I131-E133 VanDerWaalsContact C-N 3.34Å; I131-E133 PolarHBondContact O-N 3.27Å
134S89.1Confident92.6Very high66 Ų6653.2 Ų53.246%0.46229%0.286SS..Hα-helixtrans-81-43.2-175.6-59.40000113.7T130 I131 K132T130-S134 WeakPolarHBondContact O-CB 3.17Å; T130-S134 PolarHBondContact O-N 3.31Å; T130-S134 PolarHBondContact O-OG 3.21Å; I131-S134 PolarHBondContact O-N 3.14Å; K132-S134 VanDerWaalsContact C-N 3.31Å; K132-S134 PolarHBondContact O-N 3.48Å
135I86Confident92.6Very high65 Ų6557.2 Ų57.233%0.33331%0.305SS..Hα-helixtrans-103.8-28.6-172.3-62.5177.2000111.9I131 N137 V142 M206I131-I135 HydrophobicContact CG2-CD1 4.38Å; I131-I135 PolarHBondContact O-N 3.16Å; I135-N137 HydrophobicContact CG2-CB 3.81Å; I135-N137 WeakPolarHBondContact CG2-ND2 3.35Å; I135-N137 PolarHBondContact O-N 3.07Å; I135-V142 HydrophobicContact CD1-CG1 3.98Å; I135-V142 HydrophobicContact CD1-CG2 4.2Å; I135-V142 HydrophobicContact CG2-CG2 4.49Å; I135-M206 HydrophobicContact CD1-CG 3.83Å; I135-M206 HydrophobicContact CD1-SD 4.13Å; I135-M206 HydrophobicContact CG1-SD 4.22Å
136G82.9Confident92.5Very high60 Ų6054.2 Ų54.262%0.61929%0.293SS*.  trans79.1-12-173.600000115.1K132K132-G136 VanDerWaalsContact O-CA 3.29Å; K132-G136 WeakPolarHBondContact O-CA 3.36Å; K132-G136 PolarHBondContact O-N 3.03Å
137N85.3Confident92.5Very high92 Ų9251.4 Ų51.449%0.49228%0.278SS..SBendtrans-79.9168.1175.7-66.9-14.7000112.2I135 P139 V142I135-N137 HydrophobicContact CG2-CB 3.81Å; I135-N137 WeakPolarHBondContact CG2-ND2 3.35Å; I135-N137 PolarHBondContact O-N 3.07Å; N137-P139 WeakPolarHBondContact O-CD 3.27Å; N137-V142 HydrophobicContact CB-CG2 4.05Å
138D90.8Very high92.4Very high74 Ų7457.5 Ų57.540%0.39631%0.307SS..  trans-63.7124.4173.8-17328.8000110.6L140 E141 V142D138-L140 PolarHBondContact O-N 3.31Å; D138-L140 VanDerWaalsContact O-N 3.13Å; D138-E141 HydrophobicContact CB-CB 4.45Å; D138-E141 HydrophobicContact CB-CG 4.1Å; D138-E141 PolarHBondContact O-N 3.04Å; D138-E141 VanDerWaalsContact O-N 3.15Å; D138-V142 PolarHBondContact O-N 3.49Å
139P92.2Very high92.4Very high3 Ų358.3 Ų58.32%0.01931%0.311CS..Hα-helixtrans-57.9-28.3-179.1-29.237.6000113.9F128 I131 K132 N137 F143F128-P139 HydrophobicContact CB-CB 3.77Å; F128-P139 HydrophobicContact CB-CG 4.29Å; F128-P139 HydrophobicContact CD1-CB 4.38Å; F128-P139 HydrophobicContact CD2-CB 4.26Å; F128-P139 HydrophobicContact CG-CB 3.91Å; F128-P139 VanDerWaalsContact O-CG 3.28Å; F128-P139 WeakPolarHBondContact O-CG 3.48Å; I131-P139 HydrophobicContact CG2-CB 4.48Å; K132-P139 HydrophobicContact CB-CG 3.77Å; K132-P139 HydrophobicContact CG-CG 4.29Å; N137-P139 WeakPolarHBondContact O-CD 3.27Å; P139-F143 VanDerWaalsContact O-CB 3.25Å; P139-F143 WeakPolarHBondContact O-CB 3.48Å; P139-F143 PolarHBondContact O-N 3.32Å
140L92.4Very high92.4Very high30 Ų3056 Ų5616%0.15730%0.295CS..Hα-helixtrans-67.9-45.6178.2-17562.6000111.4Y99 V104 D138 V142 F143 E144Y99-L140 HydrophobicContact CD1-CB 4.37Å; V104-L140 HydrophobicContact CG2-CD1 4.11Å; D138-L140 PolarHBondContact O-N 3.31Å; D138-L140 VanDerWaalsContact O-N 3.13Å; L140-V142 PolarHBondContact O-N 2.97Å; L140-F143 PolarHBondContact O-N 3.17Å; L140-E144 HydrophobicContact CD1-CG 4.49Å; L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.9Å
141E92.8Very high92.4Very high123 Ų12356.6 Ų56.658%0.57530%0.296SS*.Hα-helixtrans-62-44.9177.5-66.5-178.716800111.5D138 F143 E144 Q145D138-E141 HydrophobicContact CB-CB 4.45Å; D138-E141 HydrophobicContact CB-CG 4.1Å; D138-E141 PolarHBondContact O-N 3.04Å; D138-E141 VanDerWaalsContact O-N 3.15Å; E141-F143 VanDerWaalsContact C-N 3.27Å; E141-F143 PolarHBondContact O-N 3.34Å; E141-E144 PolarHBondContact O-N 2.96Å; E141-Q145 WeakPolarHBondContact O-CB 3.43Å; E141-Q145 PolarHBondContact O-N 2.9Å
142V94.3Very high92.5Very high10 Ų1056.6 Ų56.66%0.06130%0.296CS..Hα-helixtrans-60.1-41.3176.1179.30000110.6I131 I135 N137 D138 L140 A146 I205 A209I131-V142 HydrophobicContact CG2-CB 4.08Å; I131-V142 HydrophobicContact CG2-CG1 3.94Å; I131-V142 HydrophobicContact CG2-CG2 4.2Å; I135-V142 HydrophobicContact CD1-CG1 3.98Å; I135-V142 HydrophobicContact CD1-CG2 4.2Å; I135-V142 HydrophobicContact CG2-CG2 4.49Å; N137-V142 HydrophobicContact CB-CG2 4.05Å; D138-V142 PolarHBondContact O-N 3.49Å; L140-V142 PolarHBondContact O-N 2.97Å; V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.04Å; V142-I205 HydrophobicContact CG1-CG2 4.31Å; V142-A209 HydrophobicContact CG1-CB 3.81Å
143F94.7Very high92.5Very high1 Ų153.5 Ų53.50%0.00429%0.288CS..Hα-helixtrans-68.7-39.8178177.4-115.2000112.8L103 L107 F128 P139 L140 E141 A146 M147 L182 I205L103-F143 HydrophobicContact CB-CE1 4.05Å; L107-F143 HydrophobicContact CB-CZ 4.24Å; L107-F143 HydrophobicContact CD1-CE2 4.49Å; L107-F143 HydrophobicContact CD2-CE2 3.79Å; L107-F143 HydrophobicContact CD2-CZ 3.81Å; L107-F143 HydrophobicContact CG-CZ 4.42Å; F128-F143 HydrophobicContact CE1-CB 4.27Å; F128-F143 HydrophobicContact CE1-CD2 4.42Å; F128-F143 HydrophobicContact CE1-CG 4.29Å; F128-F143 HydrophobicContact CZ-CB 4.18Å; F128-F143 HydrophobicContact CZ-CD1 4.22Å; F128-F143 HydrophobicContact CZ-CD2 4.46Å; F128-F143 HydrophobicContact CZ-CG 4.03Å; P139-F143 VanDerWaalsContact O-CB 3.25Å; P139-F143 WeakPolarHBondContact O-CB 3.48Å; P139-F143 PolarHBondContact O-N 3.32Å; L140-F143 PolarHBondContact O-N 3.17Å; E141-F143 VanDerWaalsContact C-N 3.27Å; E141-F143 PolarHBondContact O-N 3.34Å; F143-A146 PolarHBondContact O-N 3.21Å; F143-M147 HydrophobicContact CD2-CG 4.33Å; F143-M147 HydrophobicContact CE1-CG 4.19Å; F143-M147 HydrophobicContact CE2-CG 3.89Å; F143-M147 HydrophobicContact CE2-SD 4.17Å; F143-M147 HydrophobicContact CZ-CG 3.83Å; F143-M147 HydrophobicContact CZ-SD 4.16Å; F143-M147 WeakPolarHBondContact O-CB 3.47Å; F143-M147 VanDerWaalsContact O-CG 3.29Å; F143-M147 WeakPolarHBondContact O-CG 3.32Å; F143-M147 PolarHBondContact O-N 3.49Å; F143-L182 HydrophobicContact CE2-CD2 4.45Å; F143-L182 HydrophobicContact CZ-CD2 3.79Å; F143-I205 HydrophobicContact CB-CG2 4.47Å; F143-I205 HydrophobicContact CD2-CD1 3.93Å; F143-I205 HydrophobicContact CD2-CG1 4.27Å; F143-I205 HydrophobicContact CD2-CG2 4.26Å; F143-I205 HydrophobicContact CE2-CD1 4.34Å
144E94.7Very high92.5Very high93 Ų9348.8 Ų48.844%0.43527%0.267SS..Hα-helixtrans-65.5-43.1175.8-73.6-173.6169.300111.5L140 E141 A146 M147 E148L140-E144 HydrophobicContact CD1-CG 4.49Å; L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.9Å; E141-E144 PolarHBondContact O-N 2.96Å; E144-A146 PolarHBondContact O-N 3.49Å; E144-M147 WeakPolarHBondContact O-CB 3.48Å; E144-M147 PolarHBondContact O-N 2.91Å; E144-E148 PolarHBondContact O-N 2.97Å
145Q94.7Very high92.7Very high85 Ų8546.3 Ų46.340%0.39725%0.248SC..Hα-helixtrans-60.4-45.7173.5-173.261.656.400111.6E141 M147 E148 N149E141-Q145 WeakPolarHBondContact O-CB 3.43Å; E141-Q145 PolarHBondContact O-N 2.9Å; Q145-M147 VanDerWaalsContact C-N 3.3Å; Q145-M147 PolarHBondContact O-N 3.04Å; Q145-E148 PolarHBondContact O-N 3Å; Q145-N149 PolarHBondContact NE2-OD1 3.41Å; Q145-N149 VanDerWaalsContact O-CG 3.26Å; Q145-N149 PolarHBondContact O-N 3.01Å; Q145-N149 PolarHBondContact O-ND2 3.3Å
146A95.8Very high93Very high2 Ų244.9 Ų44.92%0.01724%0.242CC..Hα-helixtrans-58.6-43.9174.900000111.2V142 F143 E144 E148 N149 I150 I205 A208 A209V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.04Å; F143-A146 PolarHBondContact O-N 3.21Å; E144-A146 PolarHBondContact O-N 3.49Å; A146-E148 PolarHBondContact O-N 3.38Å; A146-N149 PolarHBondContact O-N 3.39Å; A146-I150 WeakPolarHBondContact O-CB 3.42Å; A146-I150 VanDerWaalsContact O-CD1 3.23Å; A146-I150 WeakPolarHBondContact O-CD1 3.49Å; A146-I150 WeakPolarHBondContact O-CG1 3.29Å; A146-I150 PolarHBondContact O-N 3.1Å; A146-I205 HydrophobicContact CB-CG2 4.01Å; A146-A208 HydrophobicContact CB-CB 3.9Å; A146-A209 HydrophobicContact CB-CB 4.23Å
147M95.7Very high93.4Very high4 Ų446.4 Ų46.42%0.0223%0.232CC..Hα-helixtrans-63.8-40.6178-76.7-61.5-55.900112.3F143 E144 Q145 N149 I150 M151 L182F143-M147 HydrophobicContact CD2-CG 4.33Å; F143-M147 HydrophobicContact CE1-CG 4.19Å; F143-M147 HydrophobicContact CE2-CG 3.89Å; F143-M147 HydrophobicContact CE2-SD 4.17Å; F143-M147 HydrophobicContact CZ-CG 3.83Å; F143-M147 HydrophobicContact CZ-SD 4.16Å; F143-M147 WeakPolarHBondContact O-CB 3.47Å; F143-M147 VanDerWaalsContact O-CG 3.29Å; F143-M147 WeakPolarHBondContact O-CG 3.32Å; F143-M147 PolarHBondContact O-N 3.49Å; E144-M147 WeakPolarHBondContact O-CB 3.48Å; E144-M147 PolarHBondContact O-N 2.91Å; Q145-M147 VanDerWaalsContact C-N 3.3Å; Q145-M147 PolarHBondContact O-N 3.04Å; M147-N149 VanDerWaalsContact C-N 3.34Å; M147-I150 PolarHBondContact O-N 3.25Å; M147-M151 HydrophobicContact CB-CE 4.45Å; M147-M151 HydrophobicContact CE-CG 4.27Å; M147-M151 WeakPolarHBondContact O-CB 3.44Å; M147-M151 WeakPolarHBondContact O-CE 3.44Å; M147-M151 WeakPolarHBondContact O-CG 3.39Å; M147-M151 PolarHBondContact O-N 2.71Å; M147-L182 HydrophobicContact CE-CD2 4.16Å; M147-L182 HydrophobicContact CE-CG 3.95Å; M147-L182 HydrophobicContact SD-CD2 3.85Å; M147-L182 HydrophobicContact SD-CG 4.24Å
148E94.3Very high93.8Very high128 Ų12846.3 Ų46.360%0.59824%0.244SC*.Hα-helixtrans-59.4-46174.7-173.3169.6-157.500111.5E144 Q145 A146 I150E144-E148 PolarHBondContact O-N 2.97Å; Q145-E148 PolarHBondContact O-N 3Å; A146-E148 PolarHBondContact O-N 3.38Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 2.91Å
149N95.1Very high93.8Very high16 Ų1647.1 Ų47.19%0.08624%0.242CC..Hα-helixtrans-66.8-27.4179.6-65.4-15.9000113.4Q145 A146 M147 A208 A209 N211 V216 R219Q145-N149 PolarHBondContact NE2-OD1 3.41Å; Q145-N149 VanDerWaalsContact O-CG 3.26Å; Q145-N149 PolarHBondContact O-N 3.01Å; Q145-N149 PolarHBondContact O-ND2 3.3Å; A146-N149 PolarHBondContact O-N 3.39Å; M147-N149 VanDerWaalsContact C-N 3.34Å; N149-A208 WeakPolarHBondContact CB-O 3.44Å; N149-A208 PolarHBondContact ND2-O 3.15Å; N149-A209 PolarHBondContact ND2-O 2.95Å; N149-N211 WeakPolarHBondContact CB-OD1 3.48Å; N149-N211 PolarHBondContact ND2-ND2 2.91Å; N149-N211 PolarHBondContact ND2-OD1 3.2Å; N149-N211 PolarHBondContact OD1-OD1 2.96Å; N149-V216 HydrophobicContact CB-CG2 4.47Å; N149-R219 WeakPolarHBondContact O-CD 3.34Å; N149-R219 PolarHBondContact O-NE 2.96Å
150I95.4Very high93.8Very high0 Ų055.8 Ų55.80%027%0.274CS..Hα-helixtrans-92.8-27.2-177.5-62.7160.5000112.3A146 M147 E148 P152 W184 V185 A208 V216 R219A146-I150 WeakPolarHBondContact O-CB 3.42Å; A146-I150 VanDerWaalsContact O-CD1 3.23Å; A146-I150 WeakPolarHBondContact O-CD1 3.49Å; A146-I150 WeakPolarHBondContact O-CG1 3.29Å; A146-I150 PolarHBondContact O-N 3.1Å; M147-I150 PolarHBondContact O-N 3.25Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 2.91Å; I150-P152 VanDerWaalsContact O-CD 3.3Å; I150-P152 WeakPolarHBondContact O-CD 3.49Å; I150-W184 HydrophobicContact CG2-CB 4.45Å; I150-W184 HydrophobicContact CG2-CE3 3.88Å; I150-V185 HydrophobicContact CD1-CG2 3.25Å; I150-A208 HydrophobicContact CD1-CB 3.35Å; I150-A208 HydrophobicContact CG1-CB 3.81Å; I150-V216 HydrophobicContact CG1-CG2 4.01Å; I150-R219 WeakPolarHBondContact O-CB 3.19Å; I150-R219 WeakPolarHBondContact O-CG 3.4Å
151M94.1Very high93.7Very high47 Ų4756 Ų5623%0.23228%0.277CS..  trans-64.5119.1-173.7-85.8-172.8-66.300112.3M147 R177 T178M147-M151 HydrophobicContact CB-CE 4.45Å; M147-M151 HydrophobicContact CE-CG 4.27Å; M147-M151 WeakPolarHBondContact O-CB 3.44Å; M147-M151 WeakPolarHBondContact O-CE 3.44Å; M147-M151 WeakPolarHBondContact O-CG 3.39Å; M147-M151 PolarHBondContact O-N 2.71Å; M151-R177 HydrophobicContact CB-CB 4.15Å; M151-R177 HydrophobicContact CG-CB 3.97Å; M151-R177 HydrophobicContact SD-CB 3.93Å; M151-T178 HydrophobicContact SD-CG2 3.91Å
152P95Very high93.3Very high0 Ų054.4 Ų54.40%029%0.293CS..  trans-79.6131.1178.432.4-35.1000111.1I150 R177 L180 W184 R219I150-P152 VanDerWaalsContact O-CD 3.3Å; I150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-R177 VanDerWaalsContact O-CD 3.24Å; P152-R177 WeakPolarHBondContact O-CD 3.46Å; P152-R177 VanDerWaalsContact O-CG 3.26Å; P152-R177 WeakPolarHBondContact O-CG 3.21Å; P152-L180 HydrophobicContact CG-CB 4.16Å; P152-L180 HydrophobicContact CG-CD1 3.85Å; P152-W184 HydrophobicContact CB-CH2 3.91Å; P152-W184 HydrophobicContact CB-CZ3 4.13Å; P152-W184 HydrophobicContact CG-CH2 3.58Å; P152-W184 HydrophobicContact CG-CZ2 4.47Å; P152-W184 HydrophobicContact CG-CZ3 3.8Å; P152-R219 HydrophobicContact CB-CG 4.18Å
153V93.6Very high93.1Very high66 Ų6656.2 Ų56.240%0.431%0.313SS..SBendtrans-75.6-38.5170.3-175.20000111.9V172 H223V153-V172 PolarHBondContact O-N 3.24Å; V153-H223 PolarHBondContact N-NE2 3.48Å; V153-H223 VanDerWaalsContact N-NE2 3.13Å
154L92.9Very high92.8Very high59 Ų5959.1 Ų59.131%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-116.2143.3179.7-60.6175.2000110.5E171 T222 A226L154-E171 HydrophobicContact CD2-CB 4.43Å; L154-T222 WeakPolarHBondContact O-CG2 3.01Å; L154-A226 HydrophobicContact CB-CB 3.76Å; L154-A226 HydrophobicContact CD1-CB 4.34Å
155E93.5Very high92.7Very high15 Ų1560.6 Ų60.67%0.0735%0.345CS..EExtended strand (participates in β ladder)trans-131.5167.916775.2-177.116000109.8K157 P169 V170 V172 R176 T222E155-K157 HydrophobicContact CG-CG 4.49Å; E155-K157 WeakPolarHBondContact OE1-CE 3.5Å; E155-K157 IonicContact OE1-NZ 3.56Å; E155-P169 CarbonylContact O-C 3.6Å; E155-P169 WeakPolarHBondContact O-CA 3.47Å; E155-V170 PolarHBondContact N-O 3.16Å; E155-V170 PolarHBondContact O-N 3.38Å; E155-V170 VanDerWaalsContact O-O 3.13Å; E155-V172 HydrophobicContact CB-CG2 3.55Å; E155-V172 HydrophobicContact CG-CG2 3.64Å; E155-R176 WeakPolarHBondContact OE1-CD 3.3Å; E155-R176 IonicContact OE1-CZ 2.97Å; E155-R176 IonicContact OE1-NE 2.71Å; E155-R176 PolarHBondContact OE1-NE 2.97Å; E155-R176 IonicContact OE1-NH2 3.95Å; E155-R176 IonicContact OE2-CZ 3.44Å; E155-R176 VanDerWaalsContact OE2-CZ 3.25Å; E155-R176 IonicContact OE2-NE 3.72Å; E155-R176 PolarHBondContact OE2-NE 2.89Å; E155-R176 IonicContact OE2-NH2 2.65Å; E155-R176 PolarHBondContact OE2-NH2 3.2Å; E155-T222 HydrophobicContact CB-CG2 4.31Å
156V92.9Very high92.6Very high34 Ų3460.2 Ų60.221%0.20634%0.34CS..EExtended strand (participates in β ladder)trans-110.9133.2176.3-1760000109.9Q167 M225 A226V156-Q167 HydrophobicContact CG1-CB 3.39Å; V156-Q167 HydrophobicContact CG1-CG 3.83Å; V156-M225 HydrophobicContact CG2-CB 4.33Å; V156-M225 HydrophobicContact CG2-CG 3.99Å; V156-A226 HydrophobicContact CG2-CB 3.84Å
157K92.2Very high92.4Very high92 Ų9264.7 Ų64.740%0.436%0.361SS..EExtended strand (participates in β ladder)trans-117.4137176.7-70.2-171.9-179.7171.90110.7E155 R159 V168 V170E155-K157 HydrophobicContact CG-CG 4.49Å; E155-K157 WeakPolarHBondContact OE1-CE 3.5Å; E155-K157 IonicContact OE1-NZ 3.56Å; K157-R159 PolarHBondContact O-N 3.33Å; K157-V168 PolarHBondContact N-O 3Å; K157-V168 PolarHBondContact O-N 3.22Å; K157-V170 HydrophobicContact CB-CG2 4.4Å; K157-V170 HydrophobicContact CD-CG2 4.29Å; K157-V170 HydrophobicContact CG-CG2 4.4Å
158A92.1Very high92.3Very high90 Ų9064.5 Ų64.574%0.74436%0.36SS*.EExtended strand (participates in β ladder)trans-70.3129.2171.800000110.1Y166A158-Y166 WeakPolarHBondContact CA-O 3.35Å
159R91.7Very high92.4Very high92 Ų9258.5 Ų58.535%0.34733%0.332SS..EExtended strand (participates in β ladder)trans-138.8136.6175.5179.2163-82-165.4-19110.2K157 V161 Y166 V168 Y235 R236 W237K157-R159 PolarHBondContact O-N 3.33Å; R159-V161 HydrophobicContact CG-CG2 4.2Å; R159-Y166 PolarHBondContact N-O 3.38Å; R159-Y166 PolarHBondContact O-N 3.49Å; R159-V168 HydrophobicContact CB-CG2 3.89Å; R159-Y235 WeakPolarHBondContact CD-O 3.28Å; R159-Y235 PolarHBondContact NH1-O 2.96Å; R159-R236 PolarHBondContact NH1-O 2.8Å; R159-W237 VanDerWaalsContact NH1-N 3.18Å; R159-W237 PolarHBondContact NH1-O 2.75Å; R159-W237 PolarHBondContact NH2-O 3.05Å
160R92.5Very high92.3Very high184 Ų18459.6 Ų59.669%0.69434%0.339SS*.EExtended strand (participates in β ladder)trans-90.6123.4179.9-166.6169.4-170-177.2-0.3110.5G163 S164R160-G163 PolarHBondContact NE-O 3.48Å; R160-G163 PolarHBondContact NH2-O 3Å; R160-S164 WeakPolarHBondContact CA-O 3.09Å
161V89.7Confident92.2Very high36 Ų3665.7 Ų65.722%0.21837%0.368CS..EExtended strand (participates in β ladder)trans-136.8128.4178.7-1750000108.8R159 G163 S164 Y166 Y235R159-V161 HydrophobicContact CG-CG2 4.2Å; V161-G163 PolarHBondContact O-N 2.9Å; V161-S164 PolarHBondContact N-O 2.88Å; V161-S164 PolarHBondContact O-N 3.06Å; V161-S164 VanDerWaalsContact O-N 3.07Å; V161-Y166 HydrophobicContact CB-CD2 3.93Å; V161-Y166 HydrophobicContact CB-CE2 4.16Å; V161-Y166 HydrophobicContact CG2-CD2 4.35Å; V161-Y235 HydrophobicContact CB-CD1 4.42Å; V161-Y235 HydrophobicContact CB-CE1 4.45Å; V161-Y235 HydrophobicContact CG1-CD1 3.89Å; V161-Y235 HydrophobicContact CG1-CE1 3.59Å; V161-Y235 HydrophobicContact CG2-CD1 3.84Å; V161-Y235 HydrophobicContact CG2-CE1 4.36Å; V161-Y235 HydrophobicContact CG2-CG 4.09Å
162G85.5Confident92.2Very high89 Ų8963.5 Ų63.592%0.91836%0.357SS*.THydrogen-bonded Turntrans58.520.8174.600000115.3
163G88.4Confident92.1Very high47 Ų4773.1 Ų73.149%0.48539%0.393SS..THydrogen-bonded Turntrans103.8-27.7-177.700000114.7R160 V161R160-G163 PolarHBondContact NE-O 3.48Å; R160-G163 PolarHBondContact NH2-O 3Å; V161-G163 PolarHBondContact O-N 2.9Å
164S89.9Confident92Very high63 Ų6374 Ų7444%0.44140%0.4SS..EExtended strand (participates in β ladder)trans-94.3153.7-179.1-65.90000112.7R160 V161R160-S164 WeakPolarHBondContact CA-O 3.09Å; V161-S164 PolarHBondContact N-O 2.88Å; V161-S164 PolarHBondContact O-N 3.06Å; V161-S164 VanDerWaalsContact O-N 3.07Å
165N93Very high91.9Very high124 Ų12476.4 Ų76.466%0.66341%0.41SS*.EExtended strand (participates in β ladder)trans-97.5111.2174.9-67.6-32.5000109.6
166Y91.2Very high92Very high77 Ų7780.8 Ų80.830%0.30243%0.426SS..EExtended strand (participates in β ladder)trans-98150.4176.2-65.9-81.7000111.4A158 R159 V161 F232A158-Y166 WeakPolarHBondContact CA-O 3.35Å; R159-Y166 PolarHBondContact N-O 3.38Å; R159-Y166 PolarHBondContact O-N 3.49Å; V161-Y166 HydrophobicContact CB-CD2 3.93Å; V161-Y166 HydrophobicContact CB-CE2 4.16Å; V161-Y166 HydrophobicContact CG2-CD2 4.35Å; Y166-F232 AromaticContact CD1-CD1 3.78Å; Y166-F232 HydrophobicContact CD1-CD1 3.78Å; Y166-F232 AromaticContact CD1-CE1 3.43Å; Y166-F232 HydrophobicContact CD1-CE1 3.43Å; Y166-F232 VanDerWaalsContact CD1-CE1 3.43Å; Y166-F232 HydrophobicContact CD1-CE2 4.32Å; Y166-F232 HydrophobicContact CD1-CG 4.36Å; Y166-F232 AromaticContact CD1-CZ 3.74Å; Y166-F232 HydrophobicContact CD1-CZ 3.74Å; Y166-F232 HydrophobicContact CE1-CD1 4.32Å; Y166-F232 AromaticContact CE1-CE1 3.63Å; Y166-F232 HydrophobicContact CE1-CE1 3.63Å; Y166-F232 HydrophobicContact CE1-CZ 4.01Å; Y166-F232 HydrophobicContact CG-CD1 4.32Å; Y166-F232 HydrophobicContact CG-CE1 4.38Å
167Q92.4Very high92Very high95 Ų9582.7 Ų82.744%0.44443%0.429SS..EExtended strand (participates in β ladder)trans-91.799.5172.9-88-155.333.100108.4V156 N229V156-Q167 HydrophobicContact CG1-CB 3.39Å; V156-Q167 HydrophobicContact CG1-CG 3.83Å; Q167-N229 WeakPolarHBondContact O-CB 3.38Å
168V93.6Very high92.1Very high1 Ų179.3 Ų79.31%0.00642%0.416CS..EExtended strand (participates in β ladder)trans-95.6119.7-175.8178.30000109.1K157 R159 V170 F232 R236K157-V168 PolarHBondContact N-O 3Å; K157-V168 PolarHBondContact O-N 3.22Å; R159-V168 HydrophobicContact CB-CG2 3.89Å; V168-V170 HydrophobicContact CG1-CG2 4.35Å; V168-F232 HydrophobicContact CG2-CB 4.43Å; V168-R236 HydrophobicContact CG1-CG 3.81Å
169P95.1Very high92.2Very high2 Ų278 Ų781%0.01340%0.399CS..EExtended strand (participates in β ladder)trans-67.5139.7174.728.1-33.6000109.4E155 A226 N229 A233 R236E155-P169 CarbonylContact O-C 3.6Å; E155-P169 WeakPolarHBondContact O-CA 3.47Å; P169-A226 HydrophobicContact CB-CB 3.97Å; P169-A226 WeakPolarHBondContact CB-O 3.38Å; P169-N229 WeakPolarHBondContact CD-O 3.38Å; P169-N229 WeakPolarHBondContact CG-O 3.31Å; P169-A233 HydrophobicContact CG-CB 3.95Å; P169-R236 PolarHBondContact O-NE 3.37Å; P169-R236 PolarHBondContact O-NH2 2.79Å
170V93.3Very high92.4Very high38 Ų3874.2 Ų74.223%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-140.7142.9179.9-177.30000108.9E155 K157 V168 R236E155-V170 PolarHBondContact N-O 3.16Å; E155-V170 PolarHBondContact O-N 3.38Å; E155-V170 VanDerWaalsContact O-O 3.13Å; K157-V170 HydrophobicContact CB-CG2 4.4Å; K157-V170 HydrophobicContact CD-CG2 4.29Å; K157-V170 HydrophobicContact CG-CG2 4.4Å; V168-V170 HydrophobicContact CG1-CG2 4.35Å; V170-R236 HydrophobicContact CG2-CG 4.46Å
171E92.9Very high92.6Very high128 Ų12865.5 Ų65.560%0.59835%0.353SS*.EExtended strand (participates in β ladder)trans-67.6133.2172.8-170.3-178.3171.200111.4L154 R173L154-E171 HydrophobicContact CD2-CB 4.43Å; E171-R173 PolarHBondContact O-N 3.37Å
172V94.5Very high92.9Very high2 Ų264 Ų641%0.01234%0.344CS..PPolyproline II helixtrans-84.4118.5-178.3-172.10000109.5V153 E155 R176 R177 L180V153-V172 PolarHBondContact O-N 3.24Å; E155-V172 HydrophobicContact CB-CG2 3.55Å; E155-V172 HydrophobicContact CG-CG2 3.64Å; V172-R176 HydrophobicContact CG1-CB 3.75Å; V172-R176 HydrophobicContact CG1-CG 3.73Å; V172-R177 HydrophobicContact CB-CG 3.73Å; V172-R177 HydrophobicContact CG1-CB 4.33Å; V172-R177 HydrophobicContact CG1-CG 3.48Å; V172-R177 VanDerWaalsContact CG1-CG 3.48Å; V172-R177 WeakPolarHBondContact O-CG 3.3Å; V172-L180 HydrophobicContact CG1-CD1 3.93Å
173R93.5Very high93.4Very high202 Ų20263.4 Ų63.476%0.76231%0.314SS*.PPolyproline II helixtrans-56.8145.4173.5-64-178.6177.3-178.4-3.3111.6E171 E175 R176 R177E171-R173 PolarHBondContact O-N 3.37Å; R173-E175 PolarHBondContact O-N 2.91Å; R173-R176 WeakPolarHBondContact O-CA 3.36Å; R173-R176 WeakPolarHBondContact O-CB 3.49Å; R173-R176 PolarHBondContact O-N 2.88Å; R173-R177 PolarHBondContact O-N 3.26Å
174P92.1Very high93.8Very high83 Ų8362.4 Ų62.454%0.53930%0.295SS..Hα-helixtrans-51.4-46.6-173.9-29.834.9000115.5R176 R177 T178P174-R176 VanDerWaalsContact C-N 3.27Å; P174-R176 PolarHBondContact O-N 3.22Å; P174-R177 WeakPolarHBondContact O-CB 3.46Å; P174-R177 PolarHBondContact O-N 2.87Å; P174-R177 VanDerWaalsContact O-N 3.12Å; P174-T178 PolarHBondContact O-N 2.96Å
175E90.8Very high94.1Very high110 Ų11059.4 Ų59.451%0.51428%0.275SS..Hα-helixtrans-59.3-38.9177.4-66.7171.2-175.800112.3K90 R173 T178 T179K90-E175 WeakPolarHBondContact CD-OE2 3.26Å; K90-E175 VanDerWaalsContact CE-OE2 3.27Å; K90-E175 WeakPolarHBondContact CE-OE2 3.13Å; K90-E175 IonicContact NZ-OE1 2.77Å; K90-E175 PolarHBondContact NZ-OE1 3.05Å; K90-E175 IonicContact NZ-OE2 2.86Å; K90-E175 PolarHBondContact NZ-OE2 3.04Å; R173-E175 PolarHBondContact O-N 2.91Å; E175-T178 PolarHBondContact O-OG1 3.49Å; E175-T179 PolarHBondContact O-N 2.98Å; E175-T179 VanDerWaalsContact O-N 3.13Å; E175-T179 PolarHBondContact O-OG1 3.31Å
176R93.8Very high94.3Very high108 Ų10853.5 Ų53.541%0.40824%0.243SC..Hα-helixtrans-72-34178.4-175.8173.6175.396.5-2.2111.4E155 V172 R173 P174 T179 L180E155-R176 WeakPolarHBondContact OE1-CD 3.3Å; E155-R176 IonicContact OE1-CZ 2.97Å; E155-R176 IonicContact OE1-NE 2.71Å; E155-R176 PolarHBondContact OE1-NE 2.97Å; E155-R176 IonicContact OE1-NH2 3.95Å; E155-R176 IonicContact OE2-CZ 3.44Å; E155-R176 VanDerWaalsContact OE2-CZ 3.25Å; E155-R176 IonicContact OE2-NE 3.72Å; E155-R176 PolarHBondContact OE2-NE 2.89Å; E155-R176 IonicContact OE2-NH2 2.65Å; E155-R176 PolarHBondContact OE2-NH2 3.2Å; V172-R176 HydrophobicContact CG1-CB 3.75Å; V172-R176 HydrophobicContact CG1-CG 3.73Å; R173-R176 WeakPolarHBondContact O-CA 3.36Å; R173-R176 WeakPolarHBondContact O-CB 3.49Å; R173-R176 PolarHBondContact O-N 2.88Å; P174-R176 VanDerWaalsContact C-N 3.27Å; P174-R176 PolarHBondContact O-N 3.22Å; R176-T179 PolarHBondContact O-N 3.25Å; R176-L180 HydrophobicContact CG-CD1 3.95Å; R176-L180 HydrophobicContact CG-CG 4.3Å; R176-L180 WeakPolarHBondContact O-CB 3.41Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 3.36Å
177R94.1Very high94.5Very high74 Ų7452.8 Ų52.828%0.27924%0.244SC..Hα-helixtrans-57.2-51.5173-60.8-166.2-67.9-170.2-5.1110.7M151 P152 V172 R173 P174 T179 L180 G181M151-R177 HydrophobicContact CB-CB 4.15Å; M151-R177 HydrophobicContact CG-CB 3.97Å; M151-R177 HydrophobicContact SD-CB 3.93Å; P152-R177 VanDerWaalsContact O-CD 3.24Å; P152-R177 WeakPolarHBondContact O-CD 3.46Å; P152-R177 VanDerWaalsContact O-CG 3.26Å; P152-R177 WeakPolarHBondContact O-CG 3.21Å; V172-R177 HydrophobicContact CB-CG 3.73Å; V172-R177 HydrophobicContact CG1-CB 4.33Å; V172-R177 HydrophobicContact CG1-CG 3.48Å; V172-R177 VanDerWaalsContact CG1-CG 3.48Å; V172-R177 WeakPolarHBondContact O-CG 3.3Å; R173-R177 PolarHBondContact O-N 3.26Å; P174-R177 WeakPolarHBondContact O-CB 3.46Å; P174-R177 PolarHBondContact O-N 2.87Å; P174-R177 VanDerWaalsContact O-N 3.12Å; R177-T179 VanDerWaalsContact C-N 3.29Å; R177-T179 PolarHBondContact O-N 3.41Å; R177-L180 PolarHBondContact O-N 3.34Å; R177-G181 PolarHBondContact O-N 2.89Å
178T93.9Very high94.7Very high20 Ų2050.5 Ų50.512%0.12323%0.233CC..Hα-helixtrans-60.1-40.5177.966.90000111.9L103 R106 M151 P174 E175 G181 L182L103-T178 HydrophobicContact CD2-CG2 4.25Å; R106-T178 PolarHBondContact NH1-OG1 3.16Å; R106-T178 VanDerWaalsContact NH1-OG1 3.1Å; M151-T178 HydrophobicContact SD-CG2 3.91Å; P174-T178 PolarHBondContact O-N 2.96Å; E175-T178 PolarHBondContact O-OG1 3.49Å; T178-G181 PolarHBondContact O-N 3.26Å; T178-L182 WeakPolarHBondContact O-CB 3.46Å; T178-L182 VanDerWaalsContact O-CG 3.26Å; T178-L182 WeakPolarHBondContact O-CG 3.3Å; T178-L182 PolarHBondContact O-N 3.4Å
179T94.7Very high94.8Very high64 Ų6450.5 Ų50.539%0.39323%0.233SC..Hα-helixtrans-67-39.1178.8-56.40000112.3E175 R176 R177 R183E175-T179 PolarHBondContact O-N 2.98Å; E175-T179 VanDerWaalsContact O-N 3.13Å; E175-T179 PolarHBondContact O-OG1 3.31Å; R176-T179 PolarHBondContact O-N 3.25Å; R177-T179 VanDerWaalsContact C-N 3.29Å; R177-T179 PolarHBondContact O-N 3.41Å; T179-R183 WeakPolarHBondContact O-CB 3.42Å; T179-R183 PolarHBondContact O-N 3.29Å; T179-R183 VanDerWaalsContact O-N 3.07Å
180L95.8Very high94.8Very high12 Ų1255.1 Ų55.16%0.06325%0.25CS..Hα-helixtrans-67.3-46.8176.4-77166.1000110.8P152 V172 R176 R177 R183 W184P152-L180 HydrophobicContact CG-CB 4.16Å; P152-L180 HydrophobicContact CG-CD1 3.85Å; V172-L180 HydrophobicContact CG1-CD1 3.93Å; R176-L180 HydrophobicContact CG-CD1 3.95Å; R176-L180 HydrophobicContact CG-CG 4.3Å; R176-L180 WeakPolarHBondContact O-CB 3.41Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 3.36Å; R177-L180 PolarHBondContact O-N 3.34Å; L180-R183 WeakPolarHBondContact O-CB 3.42Å; L180-R183 PolarHBondContact O-N 3.5Å; L180-W184 HydrophobicContact CB-CZ2 4.47Å; L180-W184 HydrophobicContact CD2-CZ2 4.21Å; L180-W184 VanDerWaalsContact O-CG 3.24Å; L180-W184 PolarHBondContact O-N 2.99Å
181G95.8Very high94.8Very high0 Ų059.9 Ų59.90%027%0.274CS..Hα-helixtrans-58.7-53.6178.300000112.2R177 T178 R183 W184 V185R177-G181 PolarHBondContact O-N 2.89Å; T178-G181 PolarHBondContact O-N 3.26Å; G181-R183 VanDerWaalsContact C-N 3.25Å; G181-R183 PolarHBondContact O-N 3.15Å; G181-W184 PolarHBondContact O-N 3.13Å; G181-W184 VanDerWaalsContact O-N 3.1Å; G181-V185 WeakPolarHBondContact O-CG2 3.41Å; G181-V185 PolarHBondContact O-N 2.84Å
182L96.5Very high94.8Very high6 Ų656.3 Ų56.33%0.03126%0.255CS..Hα-helixtrans-58.8-37.2176.6-68.9173.9000112.6R106 L107 F143 M147 T178 V186R106-L182 HydrophobicContact CB-CD1 3.47Å; R106-L182 VanDerWaalsContact CB-CD1 3.47Å; L107-L182 HydrophobicContact CB-CD2 3.92Å; L107-L182 HydrophobicContact CD1-CD2 3.86Å; L107-L182 HydrophobicContact CG-CD2 4.47Å; F143-L182 HydrophobicContact CE2-CD2 4.45Å; F143-L182 HydrophobicContact CZ-CD2 3.79Å; M147-L182 HydrophobicContact CE-CD2 4.16Å; M147-L182 HydrophobicContact CE-CG 3.95Å; M147-L182 HydrophobicContact SD-CD2 3.85Å; M147-L182 HydrophobicContact SD-CG 4.24Å; T178-L182 WeakPolarHBondContact O-CB 3.46Å; T178-L182 VanDerWaalsContact O-CG 3.26Å; T178-L182 WeakPolarHBondContact O-CG 3.3Å; T178-L182 PolarHBondContact O-N 3.4Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.23Å; L182-V186 PolarHBondContact O-N 3.2Å; L182-V186 VanDerWaalsContact O-N 3.16Å
183R96.8Very high94.5Very high76 Ų7659.8 Ų59.829%0.28729%0.291SS..Hα-helixtrans-65.3-44.8177.1178.9-175.7-56.6124.42.8111.2T179 L180 G181 N187T179-R183 WeakPolarHBondContact O-CB 3.42Å; T179-R183 PolarHBondContact O-N 3.29Å; T179-R183 VanDerWaalsContact O-N 3.07Å; L180-R183 WeakPolarHBondContact O-CB 3.42Å; L180-R183 PolarHBondContact O-N 3.5Å; G181-R183 VanDerWaalsContact C-N 3.25Å; G181-R183 PolarHBondContact O-N 3.15Å; R183-N187 WeakPolarHBondContact O-CB 3.25Å; R183-N187 PolarHBondContact O-N 3.01Å; R183-N187 PolarHBondContact O-OD1 3.5Å
184W97.1Very high94.1Very high25 Ų2552.6 Ų52.610%0.09527%0.266CS..Hα-helixtrans-66.2-49.8-179.2-65.4-17.3000110.8I150 P152 L180 G181 V186 N187 F188 K218 R219 T222I150-W184 HydrophobicContact CG2-CB 4.45Å; I150-W184 HydrophobicContact CG2-CE3 3.88Å; P152-W184 HydrophobicContact CB-CH2 3.91Å; P152-W184 HydrophobicContact CB-CZ3 4.13Å; P152-W184 HydrophobicContact CG-CH2 3.58Å; P152-W184 HydrophobicContact CG-CZ2 4.47Å; P152-W184 HydrophobicContact CG-CZ3 3.8Å; L180-W184 HydrophobicContact CB-CZ2 4.47Å; L180-W184 HydrophobicContact CD2-CZ2 4.21Å; L180-W184 VanDerWaalsContact O-CG 3.24Å; L180-W184 PolarHBondContact O-N 2.99Å; G181-W184 PolarHBondContact O-N 3.13Å; G181-W184 VanDerWaalsContact O-N 3.1Å; W184-V186 VanDerWaalsContact C-N 3.35Å; W184-V186 PolarHBondContact O-N 2.93Å; W184-N187 PolarHBondContact O-N 3.14Å; W184-N187 VanDerWaalsContact O-N 3.16Å; W184-F188 HydrophobicContact CB-CD2 3.98Å; W184-F188 HydrophobicContact CB-CE2 3.95Å; W184-F188 HydrophobicContact CG-CE2 4.31Å; W184-F188 WeakPolarHBondContact O-CB 3.33Å; W184-F188 WeakPolarHBondContact O-CD2 3.21Å; W184-F188 PolarHBondContact O-N 3.24Å; W184-K218 HydrophobicContact CD2-CB 4.35Å; W184-K218 HydrophobicContact CD2-CG 3.79Å; W184-K218 HydrophobicContact CE3-CB 4.33Å; W184-K218 HydrophobicContact CE3-CG 4.13Å; W184-K218 HydrophobicContact CG-CG 4.2Å; W184-K218 HydrophobicContact CH2-CG 4.29Å; W184-K218 HydrophobicContact CZ2-CG 3.97Å; W184-K218 HydrophobicContact CZ3-CG 4.37Å; W184-R219 HydrophobicContact CZ3-CB 3.86Å; W184-R219 HydrophobicContact CZ3-CG 4.46Å; W184-T222 HydrophobicContact CH2-CG2 4.46Å; W184-T222 WeakPolarHBondContact CH2-OG1 3.39Å
185V96Very high93.9Very high1 Ų156.9 Ų56.91%0.00628%0.279CS..Hα-helixtrans-51.4-53.1176.5174.30000111.3I150 G181 N187 F188 A189 L201 E204 I205 S215I150-V185 HydrophobicContact CD1-CG2 3.25Å; G181-V185 WeakPolarHBondContact O-CG2 3.41Å; G181-V185 PolarHBondContact O-N 2.84Å; V185-N187 PolarHBondContact O-N 3.48Å; V185-F188 PolarHBondContact O-N 3.41Å; V185-A189 WeakPolarHBondContact O-CB 3.3Å; V185-A189 PolarHBondContact O-N 3.46Å; V185-L201 HydrophobicContact CG1-CD1 3.83Å; V185-E204 HydrophobicContact CG1-CG 4.44Å; V185-I205 HydrophobicContact CG1-CG1 4.15Å; V185-S215 WeakPolarHBondContact CA-OG 3.28Å
186V96.5Very high94Very high0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-67.7-38.9-177.3175.60000112L107 R110 V111 L182 W184 R190L107-V186 HydrophobicContact CD1-CG2 3.79Å; R110-V186 HydrophobicContact CB-CG2 4.13Å; R110-V186 HydrophobicContact CG-CB 4Å; R110-V186 HydrophobicContact CG-CG1 4.3Å; R110-V186 HydrophobicContact CG-CG2 3.78Å; V111-V186 HydrophobicContact CG2-CG1 4.4Å; V111-V186 HydrophobicContact CG2-CG2 3.81Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.23Å; L182-V186 PolarHBondContact O-N 3.2Å; L182-V186 VanDerWaalsContact O-N 3.16Å; W184-V186 VanDerWaalsContact C-N 3.35Å; W184-V186 PolarHBondContact O-N 2.93Å; V186-R190 VanDerWaalsContact O-CG 3.23Å; V186-R190 WeakPolarHBondContact O-CG 3.27Å; V186-R190 PolarHBondContact O-N 3.49Å; V186-R190 VanDerWaalsContact O-N 3.15Å
187N96.2Very high94Very high61 Ų6151.1 Ų51.133%0.32626%0.261SS..Hα-helixtrans-68.8-43179.7-74.80.6000111.5R183 W184 V185 R190 L191R183-N187 WeakPolarHBondContact O-CB 3.25Å; R183-N187 PolarHBondContact O-N 3.01Å; R183-N187 PolarHBondContact O-OD1 3.5Å; W184-N187 PolarHBondContact O-N 3.14Å; W184-N187 VanDerWaalsContact O-N 3.16Å; V185-N187 PolarHBondContact O-N 3.48Å; N187-R190 PolarHBondContact O-N 2.81Å; N187-L191 WeakPolarHBondContact O-CG 3.44Å; N187-L191 PolarHBondContact O-N 3.08Å
188F96.2Very high94Very high48 Ų4850.3 Ų50.321%0.21126%0.26CS..Hα-helixtrans-73.7-40179.6-71.2-58.8000111.9W184 V185 R190 L191 R192 A214 S215 K218W184-F188 HydrophobicContact CB-CD2 3.98Å; W184-F188 HydrophobicContact CB-CE2 3.95Å; W184-F188 HydrophobicContact CG-CE2 4.31Å; W184-F188 WeakPolarHBondContact O-CB 3.33Å; W184-F188 WeakPolarHBondContact O-CD2 3.21Å; W184-F188 PolarHBondContact O-N 3.24Å; V185-F188 PolarHBondContact O-N 3.41Å; F188-R190 PolarHBondContact O-N 2.62Å; F188-L191 HydrophobicContact CD1-CD1 4.14Å; F188-L191 WeakPolarHBondContact O-CB 3.14Å; F188-L191 PolarHBondContact O-N 3.04Å; F188-R192 WeakPolarHBondContact O-CG 3.3Å; F188-R192 PolarHBondContact O-N 2.85Å; F188-A214 HydrophobicContact CB-CB 4Å; F188-A214 HydrophobicContact CD1-CB 3.58Å; F188-A214 HydrophobicContact CD2-CB 4.29Å; F188-A214 HydrophobicContact CE1-CB 4.1Å; F188-A214 HydrophobicContact CG-CB 3.7Å; F188-S215 WeakPolarHBondContact CD2-OG 3.45Å; F188-K218 HydrophobicContact CE2-CB 3.54Å; F188-K218 HydrophobicContact CE2-CG 3.89Å; F188-K218 HydrophobicContact CZ-CB 3.78Å; F188-K218 HydrophobicContact CZ-CD 4.37Å; F188-K218 HydrophobicContact CZ-CG 4Å
189A95.4Very high94.1Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-53.5-43.1170.500000111.3V185 L191 R192 M197 R200 L201 E204V185-A189 WeakPolarHBondContact O-CB 3.3Å; V185-A189 PolarHBondContact O-N 3.46Å; A189-L191 VanDerWaalsContact C-N 3.27Å; A189-L191 PolarHBondContact O-N 3.16Å; A189-R192 PolarHBondContact O-N 3.32Å; A189-M197 HydrophobicContact CB-CE 3.8Å; A189-R200 WeakPolarHBondContact O-CB 3.44Å; A189-R200 VanDerWaalsContact O-CD 3.3Å; A189-R200 WeakPolarHBondContact O-CD 3.42Å; A189-L201 HydrophobicContact CB-CD1 4.2Å; A189-E204 HydrophobicContact CB-CB 4.06Å; A189-E204 HydrophobicContact CB-CG 4.36Å
190R94.9Very high94.2Very high99 Ų9953.1 Ų53.137%0.37427%0.265SS..Hα-helixtrans-63.7-29.3177-75.2172.6-179.2-175.61.7114.1V111 V186 N187 F188 R192 M197 R200V111-R190 PolarHBondContact O-NH2 3.03Å; V186-R190 VanDerWaalsContact O-CG 3.23Å; V186-R190 WeakPolarHBondContact O-CG 3.27Å; V186-R190 PolarHBondContact O-N 3.49Å; V186-R190 VanDerWaalsContact O-N 3.15Å; N187-R190 PolarHBondContact O-N 2.81Å; F188-R190 PolarHBondContact O-N 2.62Å; R190-R192 VanDerWaalsContact C-N 3.35Å; R190-M197 HydrophobicContact CG-CE 3.9Å; R190-M197 HydrophobicContact CG-SD 3.89Å; R190-R200 PolarHBondContact O-NH1 3.36Å
191L94Very high94.2Very high139 Ų13952.6 Ų52.673%0.72826%0.262SS*.Hα-helixtrans-82.3-11-179.8-69.4171.5000113.4N187 F188 A189N187-L191 WeakPolarHBondContact O-CG 3.44Å; N187-L191 PolarHBondContact O-N 3.08Å; F188-L191 HydrophobicContact CD1-CD1 4.14Å; F188-L191 WeakPolarHBondContact O-CB 3.14Å; F188-L191 PolarHBondContact O-N 3.04Å; A189-L191 VanDerWaalsContact C-N 3.27Å; A189-L191 PolarHBondContact O-N 3.16Å
192R91.7Very high94.1Very high52 Ų5252.6 Ų52.620%0.19626%0.262CS..SBendtrans-72.9159.5178.1-53.5176.668119-1.5112.1F188 A189 R190 E194 R200 E204 D207F188-R192 WeakPolarHBondContact O-CG 3.3Å; F188-R192 PolarHBondContact O-N 2.85Å; A189-R192 PolarHBondContact O-N 3.32Å; R190-R192 VanDerWaalsContact C-N 3.35Å; R192-E194 WeakPolarHBondContact CB-OE2 3.49Å; R192-E194 IonicContact CZ-OE1 2.78Å; R192-E194 VanDerWaalsContact CZ-OE1 3.25Å; R192-E194 IonicContact NE-OE1 2.8Å; R192-E194 PolarHBondContact NE-OE1 3.37Å; R192-E194 IonicContact NE-OE2 3.25Å; R192-E194 PolarHBondContact NE-OE2 3.49Å; R192-E194 IonicContact NH2-OE1 3.66Å; R192-E194 PolarHBondContact NH2-OE1 3.18Å; R192-R200 HydrophobicContact CB-CG 4.23Å; R192-R200 WeakPolarHBondContact CD-O 3.23Å; R192-R200 PolarHBondContact O-NE 3.47Å; R192-E204 IonicContact CZ-OE2 3.29Å; R192-E204 IonicContact NH1-OE2 3.45Å; R192-E204 PolarHBondContact NH1-OE2 3.41Å; R192-D207 IonicContact CZ-OD2 3.25Å; R192-D207 IonicContact NH1-OD2 2.69Å; R192-D207 PolarHBondContact NH1-OD2 2.71Å; R192-D207 IonicContact NH2-OD2 2.86Å; R192-D207 PolarHBondContact NH2-OD2 3.36Å
193G88.1Confident94.1Very high76 Ų7656.5 Ų56.578%0.78428%0.279SS*.  trans-90.4-0.3-172.500000116.1
194E85.9Confident94Very high50 Ų5053 Ų5323%0.23427%0.266CS..  trans-67.4166.8-179.3-57.583.9176.900112.1R192 E199 R200R192-E194 WeakPolarHBondContact CB-OE2 3.49Å; R192-E194 IonicContact CZ-OE1 2.78Å; R192-E194 VanDerWaalsContact CZ-OE1 3.25Å; R192-E194 IonicContact NE-OE1 2.8Å; R192-E194 PolarHBondContact NE-OE1 3.37Å; R192-E194 IonicContact NE-OE2 3.25Å; R192-E194 PolarHBondContact NE-OE2 3.49Å; R192-E194 IonicContact NH2-OE1 3.66Å; R192-E194 PolarHBondContact NH2-OE1 3.18Å; E194-E199 HydrophobicContact CB-CB 4.16Å; E194-R200 HydrophobicContact CB-CG 3.84Å; E194-R200 PolarHBondContact O-NE 3.36Å; E194-R200 PolarHBondContact O-NH2 3.4Å; E194-R200 WeakPolarHBondContact OE2-CG 3.42Å
195H87.1Confident93.9Very high174 Ų17451.9 Ų51.981%0.80626%0.261SS*.SBendtrans-77.2-50.1-169.9-66.9-70.1000112.8
196T94Very high93.8Very high56 Ų5652.4 Ų52.434%0.34426%0.264SS..SBendtrans-101.1150-176.2690000111.2E198 E199 R200T196-E198 PolarHBondContact O-N 3.2Å; T196-E199 PolarHBondContact O-N 3.22Å; T196-E199 VanDerWaalsContact OG1-CD 3.27Å; T196-E199 VanDerWaalsContact OG1-CG 3.27Å; T196-E199 WeakPolarHBondContact OG1-CG 3.16Å; T196-E199 PolarHBondContact OG1-N 3.15Å; T196-R200 VanDerWaalsContact O-CG 3.3Å; T196-R200 WeakPolarHBondContact O-CG 3.12Å; T196-R200 PolarHBondContact O-N 3.44Å; T196-R200 VanDerWaalsContact O-N 3.14Å
197M93.7Very high93.8Very high41 Ų4154.6 Ų54.620%0.20228%0.275CS..Hα-helixtrans-63.4-25.2175.4-172.565.3-145.500112I123 A189 R190 L201I123-M197 HydrophobicContact CD1-CB 4.36Å; I123-M197 HydrophobicContact CD1-CG 4.35Å; I123-M197 HydrophobicContact CG2-CB 4.12Å; I123-M197 HydrophobicContact CG2-CG 3.78Å; A189-M197 HydrophobicContact CB-CE 3.8Å; R190-M197 HydrophobicContact CG-CE 3.9Å; R190-M197 HydrophobicContact CG-SD 3.89Å; M197-L201 HydrophobicContact CE-CB 4.4Å; M197-L201 VanDerWaalsContact O-CB 3.3Å; M197-L201 WeakPolarHBondContact O-CB 3.26Å; M197-L201 PolarHBondContact O-N 3.33Å
198E94.7Very high93.7Very high57 Ų5751.7 Ų51.727%0.26626%0.26SS..Hα-helixtrans-65.7-53.1178.5-62.4172.3-179.500110.4I123 N126 A127 T196 R200 L201 A202I123-E198 HydrophobicContact CB-CG 4.34Å; I123-E198 HydrophobicContact CG1-CG 4.37Å; I123-E198 HydrophobicContact CG2-CG 4.18Å; N126-E198 HydrophobicContact CB-CB 4.26Å; N126-E198 HydrophobicContact CB-CG 3.79Å; N126-E198 VanDerWaalsContact CB-OE2 3.28Å; N126-E198 WeakPolarHBondContact CB-OE2 3.43Å; N126-E198 VanDerWaalsContact ND2-CD 3.27Å; N126-E198 PolarHBondContact ND2-OE1 3.35Å; N126-E198 PolarHBondContact ND2-OE2 3.07Å; A127-E198 WeakPolarHBondContact CB-O 3.39Å; T196-E198 PolarHBondContact O-N 3.2Å; E198-R200 PolarHBondContact O-N 2.89Å; E198-L201 PolarHBondContact O-N 3.28Å; E198-A202 VanDerWaalsContact O-CB 3.31Å; E198-A202 WeakPolarHBondContact O-CB 3.12Å; E198-A202 PolarHBondContact O-N 3.31Å
199E95.2Very high93.6Very high78 Ų7850.1 Ų50.136%0.36426%0.256SS..Hα-helixtrans-60.4-45.3175.4-72163.1-166.200111.7E194 T196 L201 A202 K203E194-E199 HydrophobicContact CB-CB 4.16Å; T196-E199 PolarHBondContact O-N 3.22Å; T196-E199 VanDerWaalsContact OG1-CD 3.27Å; T196-E199 VanDerWaalsContact OG1-CG 3.27Å; T196-E199 WeakPolarHBondContact OG1-CG 3.16Å; T196-E199 PolarHBondContact OG1-N 3.15Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3Å; E199-A202 PolarHBondContact O-N 3.37Å; E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 WeakPolarHBondContact O-CG 3.48Å; E199-K203 PolarHBondContact O-N 3.11Å
200R95.8Very high93.5Very high65 Ų6555.5 Ų55.525%0.24529%0.285CS..Hα-helixtrans-57.2-45.3177.9-71.3-179.2-165.4-171.54.8111.7A189 R190 R192 E194 T196 E198 E204A189-R200 WeakPolarHBondContact O-CB 3.44Å; A189-R200 VanDerWaalsContact O-CD 3.3Å; A189-R200 WeakPolarHBondContact O-CD 3.42Å; R190-R200 PolarHBondContact O-NH1 3.36Å; R192-R200 HydrophobicContact CB-CG 4.23Å; R192-R200 WeakPolarHBondContact CD-O 3.23Å; R192-R200 PolarHBondContact O-NE 3.47Å; E194-R200 HydrophobicContact CB-CG 3.84Å; E194-R200 PolarHBondContact O-NE 3.36Å; E194-R200 PolarHBondContact O-NH2 3.4Å; E194-R200 WeakPolarHBondContact OE2-CG 3.42Å; T196-R200 VanDerWaalsContact O-CG 3.3Å; T196-R200 WeakPolarHBondContact O-CG 3.12Å; T196-R200 PolarHBondContact O-N 3.44Å; T196-R200 VanDerWaalsContact O-N 3.14Å; E198-R200 PolarHBondContact O-N 2.89Å; R200-E204 WeakPolarHBondContact O-CB 3.42Å; R200-E204 PolarHBondContact O-N 3.13Å; R200-E204 VanDerWaalsContact O-N 3.12Å
201L95.8Very high93.4Very high0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-71.4-44.9-179.3-175.663.1000111.3V111 V124 A127 V185 A189 M197 E198 E199 K203 E204 I205V111-L201 HydrophobicContact CG2-CD2 4.34Å; V124-L201 HydrophobicContact CG2-CD2 4.1Å; A127-L201 HydrophobicContact CB-CB 4.09Å; A127-L201 HydrophobicContact CB-CD2 4.02Å; A127-L201 HydrophobicContact CB-CG 4.18Å; V185-L201 HydrophobicContact CG1-CD1 3.83Å; A189-L201 HydrophobicContact CB-CD1 4.2Å; M197-L201 HydrophobicContact CE-CB 4.4Å; M197-L201 VanDerWaalsContact O-CB 3.3Å; M197-L201 WeakPolarHBondContact O-CB 3.26Å; M197-L201 PolarHBondContact O-N 3.33Å; E198-L201 PolarHBondContact O-N 3.28Å; E199-L201 VanDerWaalsContact C-N 3.31Å; E199-L201 PolarHBondContact O-N 3Å; L201-K203 PolarHBondContact O-N 3.19Å; L201-E204 PolarHBondContact O-N 3.2Å; L201-I205 HydrophobicContact CD1-CD1 4.04Å; L201-I205 HydrophobicContact CD1-CG1 4.43Å; L201-I205 HydrophobicContact CG-CD1 3.89Å; L201-I205 VanDerWaalsContact O-CG1 3.27Å; L201-I205 WeakPolarHBondContact O-CG1 3.45Å; L201-I205 PolarHBondContact O-N 2.89Å
202A95.5Very high93.3Very high0 Ų051.9 Ų51.90%028%0.276CS..Hα-helixtrans-58.2-48.9178.200000111.2A127 T130 I131 E198 E199 I205 M206A127-A202 HydrophobicContact CB-CB 4.14Å; A127-A202 WeakPolarHBondContact O-CB 3.44Å; T130-A202 HydrophobicContact CG2-CB 3.98Å; I131-A202 HydrophobicContact CG1-CB 3.96Å; E198-A202 VanDerWaalsContact O-CB 3.31Å; E198-A202 WeakPolarHBondContact O-CB 3.12Å; E198-A202 PolarHBondContact O-N 3.31Å; E199-A202 PolarHBondContact O-N 3.37Å; A202-I205 PolarHBondContact O-N 3.36Å; A202-M206 HydrophobicContact CB-CE 4.26Å; A202-M206 VanDerWaalsContact O-CG 3.31Å; A202-M206 WeakPolarHBondContact O-CG 3.43Å; A202-M206 PolarHBondContact O-N 3.35Å
203K94.6Very high93.3Very high88 Ų8850.9 Ų50.938%0.38328%0.282SS..Hα-helixtrans-66.1-40.8179.4-69.3-80.1168.2-169.60112.6E199 L201 I205 M206 D207E199-K203 WeakPolarHBondContact O-CB 3.48Å; E199-K203 WeakPolarHBondContact O-CG 3.48Å; E199-K203 PolarHBondContact O-N 3.11Å; L201-K203 PolarHBondContact O-N 3.19Å; K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 PolarHBondContact O-N 3.47Å; K203-M206 HydrophobicContact CD-CE 3.69Å; K203-M206 HydrophobicContact CG-CE 4.07Å; K203-M206 PolarHBondContact O-N 2.94Å; K203-D207 WeakPolarHBondContact O-CB 3.4Å; K203-D207 PolarHBondContact O-N 2.84Å
204E95.7Very high93.6Very high3 Ų349.2 Ų49.21%0.01426%0.261CS..Hα-helixtrans-62.9-37.9175.8-170.164.3-166.500112.1V185 A189 R192 R200 L201 A208 S215V185-E204 HydrophobicContact CG1-CG 4.44Å; A189-E204 HydrophobicContact CB-CB 4.06Å; A189-E204 HydrophobicContact CB-CG 4.36Å; R192-E204 IonicContact CZ-OE2 3.29Å; R192-E204 IonicContact NH1-OE2 3.45Å; R192-E204 PolarHBondContact NH1-OE2 3.41Å; R200-E204 WeakPolarHBondContact O-CB 3.42Å; R200-E204 PolarHBondContact O-N 3.13Å; R200-E204 VanDerWaalsContact O-N 3.12Å; L201-E204 PolarHBondContact O-N 3.2Å; E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.02Å; E204-S215 VanDerWaalsContact OE1-CB 3.3Å; E204-S215 WeakPolarHBondContact OE1-CB 3.38Å; E204-S215 PolarHBondContact OE1-N 3.34Å; E204-S215 PolarHBondContact OE1-OG 2.99Å
205I95.6Very high93.9Very high1 Ų146.8 Ų46.81%0.00525%0.25CC..Hα-helixtrans-68.5-44175.9-67.5167.9000110.8F128 I131 V142 F143 A146 V185 L201 A202 K203 A208 A209F128-I205 HydrophobicContact CE1-CD1 4.13Å; I131-I205 HydrophobicContact CD1-CB 3.94Å; I131-I205 HydrophobicContact CD1-CD1 4.18Å; I131-I205 HydrophobicContact CD1-CG2 3.71Å; V142-I205 HydrophobicContact CG1-CG2 4.31Å; F143-I205 HydrophobicContact CB-CG2 4.47Å; F143-I205 HydrophobicContact CD2-CD1 3.93Å; F143-I205 HydrophobicContact CD2-CG1 4.27Å; F143-I205 HydrophobicContact CD2-CG2 4.26Å; F143-I205 HydrophobicContact CE2-CD1 4.34Å; A146-I205 HydrophobicContact CB-CG2 4.01Å; V185-I205 HydrophobicContact CG1-CG1 4.15Å; L201-I205 HydrophobicContact CD1-CD1 4.04Å; L201-I205 HydrophobicContact CD1-CG1 4.43Å; L201-I205 HydrophobicContact CG-CD1 3.89Å; L201-I205 VanDerWaalsContact O-CG1 3.27Å; L201-I205 WeakPolarHBondContact O-CG1 3.45Å; L201-I205 PolarHBondContact O-N 2.89Å; A202-I205 PolarHBondContact O-N 3.36Å; K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 PolarHBondContact O-N 3.47Å; I205-A208 PolarHBondContact O-N 3.39Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 3.03Å
206M94.1Very high94.3Very high13 Ų1338.6 Ų38.66%0.06421%0.212CC..Hα-helixtrans-63.2-43.3177.1-71-172.5-78.700112.4I131 I135 A202 K203 A208 A209 N210I131-M206 HydrophobicContact CG1-CG 4.03Å; I131-M206 HydrophobicContact CG1-SD 4.48Å; I135-M206 HydrophobicContact CD1-CG 3.83Å; I135-M206 HydrophobicContact CD1-SD 4.13Å; I135-M206 HydrophobicContact CG1-SD 4.22Å; A202-M206 HydrophobicContact CB-CE 4.26Å; A202-M206 VanDerWaalsContact O-CG 3.31Å; A202-M206 WeakPolarHBondContact O-CG 3.43Å; A202-M206 PolarHBondContact O-N 3.35Å; K203-M206 HydrophobicContact CD-CE 3.69Å; K203-M206 HydrophobicContact CG-CE 4.07Å; K203-M206 PolarHBondContact O-N 2.94Å; M206-A208 VanDerWaalsContact C-N 3.34Å; M206-A209 PolarHBondContact O-N 2.93Å; M206-N210 PolarHBondContact O-N 3.32Å; M206-N210 PolarHBondContact O-ND2 3.12Å; M206-N210 VanDerWaalsContact O-ND2 3.09Å
207D94.8Very high94.4Very high45 Ų4542.1 Ų42.124%0.24122%0.222CC..Hα-helixtrans-62.6-45.1176.8-67.9-15.7000110R192 K203 A209 N210 N211 T212R192-D207 IonicContact CZ-OD2 3.25Å; R192-D207 IonicContact NH1-OD2 2.69Å; R192-D207 PolarHBondContact NH1-OD2 2.71Å; R192-D207 IonicContact NH2-OD2 2.86Å; R192-D207 PolarHBondContact NH2-OD2 3.36Å; K203-D207 WeakPolarHBondContact O-CB 3.4Å; K203-D207 PolarHBondContact O-N 2.84Å; D207-A209 PolarHBondContact O-N 3.29Å; D207-N210 CarbonylContact O-C 3.4Å; D207-N210 PolarHBondContact O-N 3.02Å; D207-N210 VanDerWaalsContact O-N 3.13Å; D207-N211 PolarHBondContact O-N 3.39Å; D207-T212 CarbonylContact C-O 3.17Å; D207-T212 CarbonylContact O-C 3.56Å; D207-T212 WeakPolarHBondContact O-CA 3.28Å; D207-T212 PolarHBondContact O-N 2.86Å; D207-T212 PolarHBondContact O-OG1 2.97Å
208A95.7Very high94.5Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-65.1-36.6178.400000113.8A146 N149 I150 E204 I205 M206 N210 N211 T212 V216A146-A208 HydrophobicContact CB-CB 3.9Å; N149-A208 WeakPolarHBondContact CB-O 3.44Å; N149-A208 PolarHBondContact ND2-O 3.15Å; I150-A208 HydrophobicContact CD1-CB 3.35Å; I150-A208 HydrophobicContact CG1-CB 3.81Å; E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.02Å; I205-A208 PolarHBondContact O-N 3.39Å; M206-A208 VanDerWaalsContact C-N 3.34Å; A208-N210 PolarHBondContact O-N 3.4Å; A208-N211 PolarHBondContact O-N 2.71Å; A208-N211 VanDerWaalsContact O-N 3.11Å; A208-T212 WeakPolarHBondContact CA-O 3.3Å; A208-T212 PolarHBondContact N-O 3.36Å; A208-V216 HydrophobicContact CB-CG2 4.05Å
209A94.1Very high94.5Very high15 Ų1544 Ų4412%0.12423%0.227CC..Hα-helixtrans-61.3-36173.300000111.3V142 A146 N149 I205 M206 D207 N211V142-A209 HydrophobicContact CG1-CB 3.81Å; A146-A209 HydrophobicContact CB-CB 4.23Å; N149-A209 PolarHBondContact ND2-O 2.95Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 3.03Å; M206-A209 PolarHBondContact O-N 2.93Å; D207-A209 PolarHBondContact O-N 3.29Å; A209-N211 PolarHBondContact O-N 2.89Å
210N93.2Very high94.5Very high114 Ų11444.8 Ų44.861%0.6123%0.231SC*.THydrogen-bonded Turntrans-83.816.2175.5-67.4-44.3000114M206 D207 A208 T212M206-N210 PolarHBondContact O-N 3.32Å; M206-N210 PolarHBondContact O-ND2 3.12Å; M206-N210 VanDerWaalsContact O-ND2 3.09Å; D207-N210 CarbonylContact O-C 3.4Å; D207-N210 PolarHBondContact O-N 3.02Å; D207-N210 VanDerWaalsContact O-N 3.13Å; A208-N210 PolarHBondContact O-N 3.4Å; N210-T212 PolarHBondContact O-N 2.97Å
211N91.8Very high94.5Very high86 Ų8645.3 Ų45.346%0.4624%0.238SC..THydrogen-bonded Turntrans56.726.5-175.9-72.8-69.8000114.5N149 D207 A208 A209N149-N211 WeakPolarHBondContact CB-OD1 3.48Å; N149-N211 PolarHBondContact ND2-ND2 2.91Å; N149-N211 PolarHBondContact ND2-OD1 3.2Å; N149-N211 PolarHBondContact OD1-OD1 2.96Å; D207-N211 PolarHBondContact O-N 3.39Å; A208-N211 PolarHBondContact O-N 2.71Å; A208-N211 VanDerWaalsContact O-N 3.11Å; A209-N211 PolarHBondContact O-N 2.89Å
212T92.4Very high94.4Very high75 Ų7546.2 Ų46.246%0.4624%0.244SC..  trans-119.3178.4175.261.80000110.6D207 A208 N210 V216D207-T212 CarbonylContact C-O 3.17Å; D207-T212 CarbonylContact O-C 3.56Å; D207-T212 WeakPolarHBondContact O-CA 3.28Å; D207-T212 PolarHBondContact O-N 2.86Å; D207-T212 PolarHBondContact O-OG1 2.97Å; A208-T212 WeakPolarHBondContact CA-O 3.3Å; A208-T212 PolarHBondContact N-O 3.36Å; N210-T212 PolarHBondContact O-N 2.97Å; T212-V216 VanDerWaalsContact O-CG2 3.3Å; T212-V216 WeakPolarHBondContact O-CG2 3.39Å
213G91.2Very high94.3Very high31 Ų3148.4 Ų48.432%0.3225%0.254SS..SBendtrans94.4170.8177.100000115.3V216 K217G213-V216 PolarHBondContact O-N 3.41Å; G213-K217 PolarHBondContact O-N 2.88Å; G213-K217 VanDerWaalsContact O-N 3.14Å
214A93.8Very high94.3Very high41 Ų4151.5 Ų51.534%0.33927%0.267SS..Hα-helixtrans-71-33.2-173.200000112.3F188 K218F188-A214 HydrophobicContact CB-CB 4Å; F188-A214 HydrophobicContact CD1-CB 3.58Å; F188-A214 HydrophobicContact CD2-CB 4.29Å; F188-A214 HydrophobicContact CE1-CB 4.1Å; F188-A214 HydrophobicContact CG-CB 3.7Å; A214-K218 WeakPolarHBondContact O-CB 3.3Å; A214-K218 PolarHBondContact O-N 3.37Å
215S92.8Very high94.2Very high0 Ų055.7 Ų55.70%029%0.288CS..Hα-helixtrans-62.8-43.3175.9-61.10000112.8V185 F188 E204 K218 R219V185-S215 WeakPolarHBondContact CA-OG 3.28Å; F188-S215 WeakPolarHBondContact CD2-OG 3.45Å; E204-S215 VanDerWaalsContact OE1-CB 3.3Å; E204-S215 WeakPolarHBondContact OE1-CB 3.38Å; E204-S215 PolarHBondContact OE1-N 3.34Å; E204-S215 PolarHBondContact OE1-OG 2.99Å; S215-K218 PolarHBondContact O-N 3.3Å; S215-R219 PolarHBondContact O-N 3Å
216V95.5Very high94.1Very high1 Ų155.8 Ų55.81%0.00629%0.289CS..Hα-helixtrans-70.4-44.3178.1179.50000110.6N149 I150 A208 T212 G213 K218 R219 E220N149-V216 HydrophobicContact CB-CG2 4.47Å; I150-V216 HydrophobicContact CG1-CG2 4.01Å; A208-V216 HydrophobicContact CB-CG2 4.05Å; T212-V216 VanDerWaalsContact O-CG2 3.3Å; T212-V216 WeakPolarHBondContact O-CG2 3.39Å; G213-V216 PolarHBondContact O-N 3.41Å; V216-K218 PolarHBondContact O-N 3.38Å; V216-R219 WeakPolarHBondContact O-CA 3.31Å; V216-R219 VanDerWaalsContact O-CB 3.3Å; V216-R219 WeakPolarHBondContact O-CB 3.43Å; V216-R219 PolarHBondContact O-N 3.48Å; V216-E220 PolarHBondContact O-N 2.97Å
217K95.8Very high94Very high130 Ų13061.5 Ų61.557%0.56532%0.316SS*.Hα-helixtrans-54-40.5173-176.3176.8-179.4176.20111.9G213 R219 E220 D221G213-K217 PolarHBondContact O-N 2.88Å; G213-K217 VanDerWaalsContact O-N 3.14Å; K217-R219 VanDerWaalsContact C-N 3.32Å; K217-R219 PolarHBondContact O-N 3.28Å; K217-E220 PolarHBondContact O-N 3.26Å; K217-D221 PolarHBondContact O-N 3.37Å
218K96Very high94Very high84 Ų8463.1 Ų63.137%0.36534%0.335SS..Hα-helixtrans-64.9-35.9178.4-174.656.7178.7175.10113W184 F188 A214 S215 V216 T222W184-K218 HydrophobicContact CD2-CB 4.35Å; W184-K218 HydrophobicContact CD2-CG 3.79Å; W184-K218 HydrophobicContact CE3-CB 4.33Å; W184-K218 HydrophobicContact CE3-CG 4.13Å; W184-K218 HydrophobicContact CG-CG 4.2Å; W184-K218 HydrophobicContact CH2-CG 4.29Å; W184-K218 HydrophobicContact CZ2-CG 3.97Å; W184-K218 HydrophobicContact CZ3-CG 4.37Å; F188-K218 HydrophobicContact CE2-CB 3.54Å; F188-K218 HydrophobicContact CE2-CG 3.89Å; F188-K218 HydrophobicContact CZ-CB 3.78Å; F188-K218 HydrophobicContact CZ-CD 4.37Å; F188-K218 HydrophobicContact CZ-CG 4Å; A214-K218 WeakPolarHBondContact O-CB 3.3Å; A214-K218 PolarHBondContact O-N 3.37Å; S215-K218 PolarHBondContact O-N 3.3Å; V216-K218 PolarHBondContact O-N 3.38Å; K218-T222 WeakPolarHBondContact O-CB 3.49Å; K218-T222 PolarHBondContact O-N 3.25Å; K218-T222 VanDerWaalsContact O-N 3.13Å; K218-T222 PolarHBondContact O-OG1 3.39Å
219R95Very high93.8Very high54 Ų5464.2 Ų64.220%0.20434%0.341CS..Hα-helixtrans-63.8-47.7173.3-177.3-15962.71274.5110.6N149 I150 P152 W184 S215 V216 K217 D221 T222 H223N149-R219 WeakPolarHBondContact O-CD 3.34Å; N149-R219 PolarHBondContact O-NE 2.96Å; I150-R219 WeakPolarHBondContact O-CB 3.19Å; I150-R219 WeakPolarHBondContact O-CG 3.4Å; P152-R219 HydrophobicContact CB-CG 4.18Å; W184-R219 HydrophobicContact CZ3-CB 3.86Å; W184-R219 HydrophobicContact CZ3-CG 4.46Å; S215-R219 PolarHBondContact O-N 3Å; V216-R219 WeakPolarHBondContact O-CA 3.31Å; V216-R219 VanDerWaalsContact O-CB 3.3Å; V216-R219 WeakPolarHBondContact O-CB 3.43Å; V216-R219 PolarHBondContact O-N 3.48Å; K217-R219 VanDerWaalsContact C-N 3.32Å; K217-R219 PolarHBondContact O-N 3.28Å; R219-D221 PolarHBondContact O-N 3.09Å; R219-T222 WeakPolarHBondContact O-CA 2.85Å; R219-T222 WeakPolarHBondContact O-CB 3.27Å; R219-T222 PolarHBondContact O-N 3.26Å; R219-T222 VanDerWaalsContact O-N 3.08Å; R219-H223 PolarHBondContact O-N 3.3Å
220E95.2Very high93.6Very high94 Ų9472.5 Ų72.544%0.43937%0.369SS..Hα-helixtrans-60.2-46.1179.1-67.8173.8173.300111.8V216 K217 T222 H223 K224V216-E220 PolarHBondContact O-N 2.97Å; K217-E220 PolarHBondContact O-N 3.26Å; E220-T222 PolarHBondContact O-N 3.24Å; E220-H223 PolarHBondContact O-N 3.4Å; E220-H223 VanDerWaalsContact O-N 3.11Å; E220-K224 WeakPolarHBondContact O-CB 3.3Å; E220-K224 PolarHBondContact O-N 2.96Å
221D95.4Very high93.4Very high76 Ų7670.7 Ų70.741%0.40637%0.37SS..Hα-helixtrans-58.2-37.8174.7-73.4-24.7000111.7K217 R219 M225K217-D221 PolarHBondContact O-N 3.37Å; R219-D221 PolarHBondContact O-N 3.09Å; D221-M225 VanDerWaalsContact O-CB 3.27Å; D221-M225 WeakPolarHBondContact O-CB 3.43Å; D221-M225 PolarHBondContact O-N 3.44Å
222T94.4Very high93.3Very high19 Ų1969.5 Ų69.512%0.11736%0.361CS..Hα-helixtrans-68.6-39178.3-54.50000111.2L154 E155 W184 K218 R219 E220 A226L154-T222 WeakPolarHBondContact O-CG2 3.01Å; E155-T222 HydrophobicContact CB-CG2 4.31Å; W184-T222 HydrophobicContact CH2-CG2 4.46Å; W184-T222 WeakPolarHBondContact CH2-OG1 3.39Å; K218-T222 WeakPolarHBondContact O-CB 3.49Å; K218-T222 PolarHBondContact O-N 3.25Å; K218-T222 VanDerWaalsContact O-N 3.13Å; K218-T222 PolarHBondContact O-OG1 3.39Å; R219-T222 WeakPolarHBondContact O-CA 2.85Å; R219-T222 WeakPolarHBondContact O-CB 3.27Å; R219-T222 PolarHBondContact O-N 3.26Å; R219-T222 VanDerWaalsContact O-N 3.08Å; E220-T222 PolarHBondContact O-N 3.24Å; T222-A226 WeakPolarHBondContact O-CB 3.29Å; T222-A226 PolarHBondContact O-N 2.98Å
223H94.1Very high93.1Very high46 Ų4667.1 Ų67.121%0.21335%0.349CS..Hα-helixtrans-68.9-46.7175-72.9-177.8000111.8V153 R219 E220 M225 A226 E227V153-H223 PolarHBondContact N-NE2 3.48Å; V153-H223 VanDerWaalsContact N-NE2 3.13Å; R219-H223 PolarHBondContact O-N 3.3Å; E220-H223 PolarHBondContact O-N 3.4Å; E220-H223 VanDerWaalsContact O-N 3.11Å; H223-M225 VanDerWaalsContact C-N 3.29Å; H223-M225 PolarHBondContact O-N 3.31Å; H223-A226 PolarHBondContact O-N 3.09Å; H223-E227 WeakPolarHBondContact O-CB 3.29Å; H223-E227 PolarHBondContact O-N 3.2Å
224K94.6Very high92.9Very high153 Ų15370.6 Ų70.667%0.66536%0.356SS*.Hα-helixtrans-57.1-43.4175.8-175.7177.4-178.4176.20111.6E220 E227 A228E220-K224 WeakPolarHBondContact O-CB 3.3Å; E220-K224 PolarHBondContact O-N 2.96Å; K224-E227 PolarHBondContact O-N 3.46Å; K224-A228 WeakPolarHBondContact O-CB 3.34Å; K224-A228 PolarHBondContact O-N 2.94Å
225M93.3Very high92.7Very high92 Ų9271.2 Ų71.245%0.45335%0.35SS..Hα-helixtrans-65.7-40.4175.9-169.963.364.800112V156 D221 H223 E227 N229V156-M225 HydrophobicContact CG2-CB 4.33Å; V156-M225 HydrophobicContact CG2-CG 3.99Å; D221-M225 VanDerWaalsContact O-CB 3.27Å; D221-M225 WeakPolarHBondContact O-CB 3.43Å; D221-M225 PolarHBondContact O-N 3.44Å; H223-M225 VanDerWaalsContact C-N 3.29Å; H223-M225 PolarHBondContact O-N 3.31Å; M225-E227 VanDerWaalsContact C-N 3.35Å; M225-N229 PolarHBondContact O-N 3.17Å; M225-N229 PolarHBondContact O-ND2 2.81Å
226A93.6Very high92.1Very high2 Ų276.6 Ų76.62%0.01737%0.371CS..Hα-helixtrans-67.1-37.2177.400000112.4L154 V156 P169 T222 H223 N229 R230L154-A226 HydrophobicContact CB-CB 3.76Å; L154-A226 HydrophobicContact CD1-CB 4.34Å; V156-A226 HydrophobicContact CG2-CB 3.84Å; P169-A226 HydrophobicContact CB-CB 3.97Å; P169-A226 WeakPolarHBondContact CB-O 3.38Å; T222-A226 WeakPolarHBondContact O-CB 3.29Å; T222-A226 PolarHBondContact O-N 2.98Å; H223-A226 PolarHBondContact O-N 3.09Å; A226-N229 CarbonylContact O-C 3.48Å; A226-N229 PolarHBondContact O-N 3.4Å; A226-R230 PolarHBondContact O-N 2.89Å
227E92.4Very high91.4Very high134 Ų13486.9 Ų86.963%0.62641%0.41SS*.Hα-helixtrans-69.3-45.1176.7-173.1174.7-164.700111.8H223 K224 M225 N229 R230H223-E227 WeakPolarHBondContact O-CB 3.29Å; H223-E227 PolarHBondContact O-N 3.2Å; K224-E227 PolarHBondContact O-N 3.46Å; M225-E227 VanDerWaalsContact C-N 3.35Å; E227-N229 PolarHBondContact O-N 3.49Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.48Å
228A92.8Very high91.2Very high78 Ų7884.7 Ų84.765%0.64540%0.402SS*.Hα-helixtrans-57.9-33174.900000112.5K224K224-A228 WeakPolarHBondContact O-CB 3.34Å; K224-A228 PolarHBondContact O-N 2.94Å
229N92.7Very high90.9Very high24 Ų2484.7 Ų84.713%0.12840%0.404CS..THydrogen-bonded Turntrans-9615.5179-70.1-81.5000113.6Q167 P169 M225 A226 E227 A231 F232Q167-N229 WeakPolarHBondContact O-CB 3.38Å; P169-N229 WeakPolarHBondContact CD-O 3.38Å; P169-N229 WeakPolarHBondContact CG-O 3.31Å; M225-N229 PolarHBondContact O-N 3.17Å; M225-N229 PolarHBondContact O-ND2 2.81Å; A226-N229 CarbonylContact O-C 3.48Å; A226-N229 PolarHBondContact O-N 3.4Å; E227-N229 PolarHBondContact O-N 3.49Å; N229-A231 PolarHBondContact O-N 3.29Å; N229-A231 VanDerWaalsContact O-N 3.14Å; N229-F232 HydrophobicContact CB-CD2 4.07Å; N229-F232 PolarHBondContact O-N 2.86Å
230R89.2Confident90.7Very high189 Ų18986.4 Ų86.471%0.71342%0.415SS*.G310 helixtrans-56.3-31.5179.9-174.4174.7-176.7161.30.4112.9A226 E227 F232 A233A226-R230 PolarHBondContact O-N 2.89Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.48Å; R230-F232 PolarHBondContact O-N 2.77Å; R230-F232 VanDerWaalsContact O-N 3.16Å; R230-A233 WeakPolarHBondContact O-CB 3.33Å; R230-A233 PolarHBondContact O-N 3.28Å
231A89.9Confident90.4Very high76 Ų7686 Ų8663%0.62841%0.413SS*.G310 helixtrans-60.9-20.7175.700000113.8N229 H234N229-A231 PolarHBondContact O-N 3.29Å; N229-A231 VanDerWaalsContact O-N 3.14Å; A231-H234 PolarHBondContact O-CE1 3.42Å; A231-H234 PolarHBondContact O-ND1 3.27Å
232F89Confident90.1Very high60 Ų6086.6 Ų86.626%0.26341%0.414SS..G310 helixtrans-96.82.9176.8-56.7-61.3000113Y166 V168 N229 R230 H234 Y235Y166-F232 AromaticContact CD1-CD1 3.78Å; Y166-F232 HydrophobicContact CD1-CD1 3.78Å; Y166-F232 AromaticContact CD1-CE1 3.43Å; Y166-F232 HydrophobicContact CD1-CE1 3.43Å; Y166-F232 VanDerWaalsContact CD1-CE1 3.43Å; Y166-F232 HydrophobicContact CD1-CE2 4.32Å; Y166-F232 HydrophobicContact CD1-CG 4.36Å; Y166-F232 AromaticContact CD1-CZ 3.74Å; Y166-F232 HydrophobicContact CD1-CZ 3.74Å; Y166-F232 HydrophobicContact CE1-CD1 4.32Å; Y166-F232 AromaticContact CE1-CE1 3.63Å; Y166-F232 HydrophobicContact CE1-CE1 3.63Å; Y166-F232 HydrophobicContact CE1-CZ 4.01Å; Y166-F232 HydrophobicContact CG-CD1 4.32Å; Y166-F232 HydrophobicContact CG-CE1 4.38Å; V168-F232 HydrophobicContact CG2-CB 4.43Å; N229-F232 HydrophobicContact CB-CD2 4.07Å; N229-F232 PolarHBondContact O-N 2.86Å; R230-F232 PolarHBondContact O-N 2.77Å; R230-F232 VanDerWaalsContact O-N 3.16Å; F232-H234 PolarHBondContact O-N 3.02Å; F232-Y235 HydrophobicContact CB-CD2 4.14Å; F232-Y235 HydrophobicContact CD1-CD2 4.11Å; F232-Y235 AromaticContact CD1-CE2 3.98Å; F232-Y235 HydrophobicContact CD1-CE2 3.98Å; F232-Y235 WeakPolarHBondContact O-CB 3.37Å; F232-Y235 PolarHBondContact O-N 3.25Å; F232-Y235 VanDerWaalsContact O-N 3.08Å
233A88.5Confident89.8Confident26 Ų2691.1 Ų91.122%0.21543%0.434CS..G310 helixtrans-63.2-21.7-178.100000113.2P169 R230 Y235 R236P169-A233 HydrophobicContact CG-CB 3.95Å; R230-A233 WeakPolarHBondContact O-CB 3.33Å; R230-A233 PolarHBondContact O-N 3.28Å; A233-Y235 VanDerWaalsContact C-N 3.27Å; A233-Y235 PolarHBondContact O-N 3.06Å; A233-R236 WeakPolarHBondContact O-CB 3.35Å; A233-R236 WeakPolarHBondContact O-CD 3.3Å; A233-R236 WeakPolarHBondContact O-CG 3.27Å
234H87.4Confident89.5Confident103 Ų10394.4 Ų94.448%0.47745%0.449SS..G310 helixtrans-63.2-35.7174.359-61.4000111.1A231 F232 R236 W237A231-H234 PolarHBondContact O-CE1 3.42Å; A231-H234 PolarHBondContact O-ND1 3.27Å; F232-H234 PolarHBondContact O-N 3.02Å; H234-R236 PolarHBondContact O-N 3.14Å; H234-W237 HydrophobicContact CB-CZ3 4.35Å; H234-W237 WeakPolarHBondContact O-CZ3 3.39Å
235Y88.1Confident89.1Confident54 Ų5489.8 Ų89.821%0.21243%0.433CS..G310 helixtrans-66.624.8-179.7-64.5-63.2000115.6R159 V161 F232 A233 W237R159-Y235 WeakPolarHBondContact CD-O 3.28Å; R159-Y235 PolarHBondContact NH1-O 2.96Å; V161-Y235 HydrophobicContact CB-CD1 4.42Å; V161-Y235 HydrophobicContact CB-CE1 4.45Å; V161-Y235 HydrophobicContact CG1-CD1 3.89Å; V161-Y235 HydrophobicContact CG1-CE1 3.59Å; V161-Y235 HydrophobicContact CG2-CD1 3.84Å; V161-Y235 HydrophobicContact CG2-CE1 4.36Å; V161-Y235 HydrophobicContact CG2-CG 4.09Å; F232-Y235 HydrophobicContact CB-CD2 4.14Å; F232-Y235 HydrophobicContact CD1-CD2 4.11Å; F232-Y235 AromaticContact CD1-CE2 3.98Å; F232-Y235 HydrophobicContact CD1-CE2 3.98Å; F232-Y235 WeakPolarHBondContact O-CB 3.37Å; F232-Y235 PolarHBondContact O-N 3.25Å; F232-Y235 VanDerWaalsContact O-N 3.08Å; A233-Y235 VanDerWaalsContact C-N 3.27Å; A233-Y235 PolarHBondContact O-N 3.06Å; Y235-W237 AromaticContact CD1-CH2 3.16Å; Y235-W237 HydrophobicContact CD1-CH2 3.16Å; Y235-W237 AromaticContact CD1-CZ2 3.41Å; Y235-W237 HydrophobicContact CD1-CZ2 3.41Å; Y235-W237 VanDerWaalsContact CD1-CZ2 3.41Å; Y235-W237 HydrophobicContact CD1-CZ3 4.05Å; Y235-W237 AromaticContact CE1-CH2 3.63Å; Y235-W237 HydrophobicContact CE1-CH2 3.63Å; Y235-W237 AromaticContact CE1-CZ2 3.95Å; Y235-W237 HydrophobicContact CE1-CZ2 3.95Å; Y235-W237 HydrophobicContact CG-CH2 4.08Å; Y235-W237 HydrophobicContact CG-CZ2 4.49Å; Y235-W237 PolarHBondContact O-N 2.73Å
236R81.3Confident88.8Confident114 Ų11489.7 Ų89.743%0.4343%0.431SS..  trans-83.14-176.9-79.2174-174.4-168.71.6115.8R159 V168 P169 V170 A233 H234R159-R236 PolarHBondContact NH1-O 2.8Å; V168-R236 HydrophobicContact CG1-CG 3.81Å; P169-R236 PolarHBondContact O-NE 3.37Å; P169-R236 PolarHBondContact O-NH2 2.79Å; V170-R236 HydrophobicContact CG2-CG 4.46Å; A233-R236 WeakPolarHBondContact O-CB 3.35Å; A233-R236 WeakPolarHBondContact O-CD 3.3Å; A233-R236 WeakPolarHBondContact O-CG 3.27Å; H234-R236 PolarHBondContact O-N 3.14Å
237W80.2Confident88.3Confident216 Ų21697.6 Ų97.682%0.81847%0.469SS*.  trans-79.90-178.559.283.5000116.2R159 H234 Y235R159-W237 VanDerWaalsContact NH1-N 3.18Å; R159-W237 PolarHBondContact NH1-O 2.75Å; R159-W237 PolarHBondContact NH2-O 3.05Å; H234-W237 HydrophobicContact CB-CZ3 4.35Å; H234-W237 WeakPolarHBondContact O-CZ3 3.39Å; Y235-W237 AromaticContact CD1-CH2 3.16Å; Y235-W237 HydrophobicContact CD1-CH2 3.16Å; Y235-W237 AromaticContact CD1-CZ2 3.41Å; Y235-W237 HydrophobicContact CD1-CZ2 3.41Å; Y235-W237 VanDerWaalsContact CD1-CZ2 3.41Å; Y235-W237 HydrophobicContact CD1-CZ3 4.05Å; Y235-W237 AromaticContact CE1-CH2 3.63Å; Y235-W237 HydrophobicContact CE1-CH2 3.63Å; Y235-W237 AromaticContact CE1-CZ2 3.95Å; Y235-W237 HydrophobicContact CE1-CZ2 3.95Å; Y235-W237 HydrophobicContact CG-CH2 4.08Å; Y235-W237 HydrophobicContact CG-CZ2 4.49Å; Y235-W237 PolarHBondContact O-N 2.73Å

Retrieved 237 of 237 residues in 152 ms (Link to these results)

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