A0A061I8X5_CRIGR Loading...

UV excision repair protein RAD23

Multiubiquitin chain receptor involved in modulation of proteasomal degradation. Involved in nucleotide excision repair.

AlphaFold DB , UniProt , Accession A0A061I8X5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rad23a, Length 363 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
1M71.1Confident85.5Confident199 Ų19959.6 Ų59.698%0.9831%0.312SS*.  0116.90-95-175.7177.200105.8E20 P21M1-E20 PolarHBondContact N-OE1 3.04Å; M1-P21 WeakPolarHBondContact O-CD 3.33Å
2A80.4Confident85.3Confident46 Ų4662.5 Ų62.538%0.3832%0.323SS..PPolyproline II helixtrans-72.5131.5-178.100000111.7R18 M19A2-R18 HydrophobicContact CB-CG 3.77Å; A2-M19 CarbonylContact C-O 3.55Å; A2-M19 VanDerWaalsContact CA-O 3.24Å; A2-M19 WeakPolarHBondContact CA-O 3.34Å
3I84.9Confident85.2Confident44 Ų4465.2 Ų65.223%0.22633%0.333CS..EExtended strand (participates in β ladder)trans-96.1148172.2-171168.7000109.6V5 M19 P21 I66I3-V5 HydrophobicContact CG2-CG2 4.31Å; I3-M19 WeakPolarHBondContact CG2-O 3.38Å; I3-M19 PolarHBondContact N-O 3.11Å; I3-M19 PolarHBondContact O-N 3.41Å; I3-M19 VanDerWaalsContact O-N 3.09Å; I3-M19 VanDerWaalsContact O-O 3.09Å; I3-P21 HydrophobicContact CG2-CB 4.17Å; I3-I66 WeakPolarHBondContact CD1-O 3.31Å
4T88.1Confident85.4Confident34 Ų3466.4 Ų66.421%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-96117.6170-30.40000109.6K16 I17 E68T4-K16 HydrophobicContact CG2-CB 3.74Å; T4-K16 HydrophobicContact CG2-CD 4.06Å; T4-K16 HydrophobicContact CG2-CG 4.16Å; T4-I17 WeakPolarHBondContact CA-O 3.36Å; T4-E68 WeakPolarHBondContact CB-OE2 3.35Å; T4-E68 WeakPolarHBondContact O-CG 3.09Å; T4-E68 PolarHBondContact OG1-OE2 3.33Å
5V88.3Confident85.8Confident0 Ų063.5 Ų63.50%033%0.329CS..EExtended strand (participates in β ladder)trans-95.4116.1174.7-175.40000108.5I3 L7 I17 M19 L28 I66 V72I3-V5 HydrophobicContact CG2-CG2 4.31Å; V5-L7 HydrophobicContact CG1-CD1 4.44Å; V5-L7 HydrophobicContact CG1-CD2 4.47Å; V5-L7 HydrophobicContact CG1-CG 4.15Å; V5-I17 PolarHBondContact N-O 3.01Å; V5-I17 PolarHBondContact O-N 3.43Å; V5-M19 HydrophobicContact CG2-CG 4.41Å; V5-L28 HydrophobicContact CG1-CD2 4.27Å; V5-I66 HydrophobicContact CG1-CG2 4.29Å; V5-V72 HydrophobicContact CG1-CG2 3.81Å
6T90.5Very high86.1Confident18 Ų1867.5 Ų67.511%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-80.4123.1173.1-57.60000109.1T14 E68 N70 F71 V72T6-T14 HydrophobicContact CG2-CG2 3.57Å; T6-E68 PolarHBondContact OG1-O 2.79Å; T6-E68 VanDerWaalsContact OG1-O 3.06Å; T6-N70 WeakPolarHBondContact CB-O 3.2Å; T6-F71 HydrophobicContact CG2-CB 4.05Å; T6-F71 CarbonylContact O-C 3.38Å; T6-F71 VanDerWaalsContact O-CA 3.3Å; T6-F71 WeakPolarHBondContact O-CA 3.3Å; T6-V72 PolarHBondContact O-N 3.25Å
7L90.3Very high86.2Confident0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-118.1130.5-175.4-70.5139.5000110.3V5 T14 F15 I17 L28 I32 L48 V72V5-L7 HydrophobicContact CG1-CD1 4.44Å; V5-L7 HydrophobicContact CG1-CD2 4.47Å; V5-L7 HydrophobicContact CG1-CG 4.15Å; L7-T14 CarbonylContact O-C 3.5Å; L7-T14 VanDerWaalsContact O-CA 3.23Å; L7-T14 WeakPolarHBondContact O-CA 3.48Å; L7-T14 WeakPolarHBondContact O-CG2 3.35Å; L7-F15 HydrophobicContact CB-CD1 4.2Å; L7-F15 HydrophobicContact CB-CD2 4.41Å; L7-F15 HydrophobicContact CB-CE1 3.78Å; L7-F15 HydrophobicContact CB-CE2 4.03Å; L7-F15 HydrophobicContact CB-CG 4.48Å; L7-F15 HydrophobicContact CB-CZ 3.69Å; L7-F15 HydrophobicContact CD1-CD2 4.34Å; L7-F15 HydrophobicContact CD1-CE2 3.79Å; L7-F15 HydrophobicContact CD1-CZ 4.12Å; L7-F15 HydrophobicContact CG-CZ 4.44Å; L7-F15 PolarHBondContact N-O 2.85Å; L7-F15 PolarHBondContact O-N 2.97Å; L7-I17 HydrophobicContact CD1-CB 3.83Å; L7-I17 HydrophobicContact CD1-CD1 3.9Å; L7-I17 HydrophobicContact CD1-CG1 3.88Å; L7-L28 HydrophobicContact CD1-CD1 4Å; L7-I32 HydrophobicContact CD1-CD1 3.98Å; L7-I32 HydrophobicContact CD1-CG1 3.94Å; L7-I32 HydrophobicContact CD2-CD1 3.49Å; L7-I32 VanDerWaalsContact CD2-CD1 3.49Å; L7-I32 HydrophobicContact CD2-CG1 4.31Å; L7-I32 HydrophobicContact CG-CD1 4.34Å; L7-L48 HydrophobicContact CD2-CD2 4.2Å; L7-V72 CarbonylContact C-O 3.58Å; L7-V72 WeakPolarHBondContact CA-O 3.45Å; L7-V72 HydrophobicContact CD2-CB 4.04Å; L7-V72 HydrophobicContact CD2-CG1 4.4Å
8K90.3Very high86.2Confident48 Ų4870.4 Ų70.421%0.20934%0.344CS..EExtended strand (participates in β ladder)trans-114.5117.3178.2-169174-179.6178.70109.6T14 F71 V72 V73 V74K8-T14 HydrophobicContact CB-CG2 4.28Å; K8-F71 HydrophobicContact CB-CB 4.36Å; K8-F71 HydrophobicContact CB-CD2 3.8Å; K8-F71 HydrophobicContact CB-CG 4.29Å; K8-F71 HydrophobicContact CD-CD2 3.93Å; K8-F71 HydrophobicContact CD-CE2 3.9Å; K8-F71 HydrophobicContact CD-CG 4.44Å; K8-F71 HydrophobicContact CD-CZ 4.4Å; K8-V72 PolarHBondContact N-O 3.29Å; K8-V73 CarbonylContact O-C 3.31Å; K8-V73 VanDerWaalsContact O-CA 3.27Å; K8-V73 WeakPolarHBondContact O-CA 3.5Å; K8-V74 PolarHBondContact O-N 2.97Å
9T89.1Confident86.2Confident2 Ų267.1 Ų67.11%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-72.4161.6174.865.40000111.6Q11 Q12 Q13 F15 F41 V74T9-Q11 PolarHBondContact O-N 3.26Å; T9-Q11 VanDerWaalsContact O-N 3.16Å; T9-Q11 PolarHBondContact OG1-N 2.72Å; T9-Q12 PolarHBondContact O-N 3.32Å; T9-Q13 PolarHBondContact N-O 3.39Å; T9-Q13 WeakPolarHBondContact OG1-CB 3.48Å; T9-Q13 PolarHBondContact OG1-N 2.86Å; T9-Q13 PolarHBondContact OG1-O 3.35Å; T9-F15 HydrophobicContact CG2-CD1 4.3Å; T9-F15 HydrophobicContact CG2-CE1 3.66Å; T9-F41 HydrophobicContact CG2-CE1 3.89Å; T9-F41 HydrophobicContact CG2-CE2 4.15Å; T9-F41 HydrophobicContact CG2-CZ 3.4Å; T9-F41 VanDerWaalsContact CG2-CZ 3.4Å; T9-V74 HydrophobicContact CG2-CG1 3.93Å
10L84.4Confident86.2Confident125 Ų12568.3 Ų68.365%0.65433%0.333SS*.THydrogen-bonded Turntrans-53-31.1168.1-16192.5000112.5Q12 V74L10-Q12 PolarHBondContact O-N 2.95Å; L10-V74 PolarHBondContact N-O 3.3Å
11Q82.8Confident85.9Confident140 Ų14066.4 Ų66.465%0.65433%0.326SS*.THydrogen-bonded Turntrans-75.418.5176.6-61.5162.46600112.9T9 Q13T9-Q11 PolarHBondContact O-N 3.26Å; T9-Q11 VanDerWaalsContact O-N 3.16Å; T9-Q11 PolarHBondContact OG1-N 2.72Å; Q11-Q13 PolarHBondContact O-N 3.17Å
12Q83.4Confident86.6Confident94 Ų9463.8 Ų63.844%0.43931%0.311SS..SBendtrans61.8-0.8-176.2-140.485.7154.900115.3T9 L10 T14T9-Q12 PolarHBondContact O-N 3.32Å; L10-Q12 PolarHBondContact O-N 2.95Å; Q12-T14 PolarHBondContact O-N 3.33Å
13Q84.6Confident86.8Confident98 Ų9864.5 Ų64.546%0.45831%0.307SS..  trans-79.7120.9-176-170.4175.696.300111.3T9 Q11T9-Q13 PolarHBondContact N-O 3.39Å; T9-Q13 WeakPolarHBondContact OG1-CB 3.48Å; T9-Q13 PolarHBondContact OG1-N 2.86Å; T9-Q13 PolarHBondContact OG1-O 3.35Å; Q11-Q13 PolarHBondContact O-N 3.17Å
14T88.1Confident87Confident81 Ų8164.6 Ų64.650%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-95.8139.3179-19.40000111.5T6 L7 K8 Q12T6-T14 HydrophobicContact CG2-CG2 3.57Å; L7-T14 CarbonylContact O-C 3.5Å; L7-T14 VanDerWaalsContact O-CA 3.23Å; L7-T14 WeakPolarHBondContact O-CA 3.48Å; L7-T14 WeakPolarHBondContact O-CG2 3.35Å; K8-T14 HydrophobicContact CB-CG2 4.28Å; Q12-T14 PolarHBondContact O-N 3.33Å
15F90.6Very high87Confident23 Ų2363 Ų6310%0.10130%0.299CS..EExtended strand (participates in β ladder)trans-146.6157.7173.461.4-75000110.2L7 T9 I17 I32 E35L7-F15 HydrophobicContact CB-CD1 4.2Å; L7-F15 HydrophobicContact CB-CD2 4.41Å; L7-F15 HydrophobicContact CB-CE1 3.78Å; L7-F15 HydrophobicContact CB-CE2 4.03Å; L7-F15 HydrophobicContact CB-CG 4.48Å; L7-F15 HydrophobicContact CB-CZ 3.69Å; L7-F15 HydrophobicContact CD1-CD2 4.34Å; L7-F15 HydrophobicContact CD1-CE2 3.79Å; L7-F15 HydrophobicContact CD1-CZ 4.12Å; L7-F15 HydrophobicContact CG-CZ 4.44Å; L7-F15 PolarHBondContact N-O 2.85Å; L7-F15 PolarHBondContact O-N 2.97Å; T9-F15 HydrophobicContact CG2-CD1 4.3Å; T9-F15 HydrophobicContact CG2-CE1 3.66Å; F15-I17 HydrophobicContact CD2-CD1 4.26Å; F15-I17 HydrophobicContact CD2-CG1 4.04Å; F15-I17 HydrophobicContact CE2-CD1 3.73Å; F15-I17 HydrophobicContact CE2-CG1 4Å; F15-I32 HydrophobicContact CE2-CG1 4.18Å; F15-I32 HydrophobicContact CE2-CG2 4.48Å; F15-I32 HydrophobicContact CZ-CG1 4.2Å; F15-I32 HydrophobicContact CZ-CG2 3.97Å; F15-E35 HydrophobicContact CD2-CG 4.19Å; F15-E35 HydrophobicContact CE2-CG 4.47Å
16K90.5Very high87Confident128 Ų12868.8 Ų68.856%0.55733%0.325SS*.EExtended strand (participates in β ladder)trans-113.2121.8-175.1-76.4-172.5171.9-163.30109.7T4T4-K16 HydrophobicContact CG2-CB 3.74Å; T4-K16 HydrophobicContact CG2-CD 4.06Å; T4-K16 HydrophobicContact CG2-CG 4.16Å
17I88.1Confident86.9Confident3 Ų370.2 Ų70.22%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-107.5132.9172.8-75.1-174.3000109.7T4 V5 L7 F15 M19 L28 K31 I32 E35T4-I17 WeakPolarHBondContact CA-O 3.36Å; V5-I17 PolarHBondContact N-O 3.01Å; V5-I17 PolarHBondContact O-N 3.43Å; L7-I17 HydrophobicContact CD1-CB 3.83Å; L7-I17 HydrophobicContact CD1-CD1 3.9Å; L7-I17 HydrophobicContact CD1-CG1 3.88Å; F15-I17 HydrophobicContact CD2-CD1 4.26Å; F15-I17 HydrophobicContact CD2-CG1 4.04Å; F15-I17 HydrophobicContact CE2-CD1 3.73Å; F15-I17 HydrophobicContact CE2-CG1 4Å; I17-M19 HydrophobicContact CG2-SD 4.49Å; I17-L28 HydrophobicContact CG2-CD1 4.21Å; I17-K31 HydrophobicContact CD1-CB 4.05Å; I17-K31 HydrophobicContact CD1-CG 4.09Å; I17-K31 HydrophobicContact CG2-CB 4.16Å; I17-K31 HydrophobicContact CG2-CG 3.66Å; I17-I32 HydrophobicContact CD1-CB 4.4Å; I17-I32 HydrophobicContact CD1-CG1 3.62Å; I17-E35 HydrophobicContact CD1-CB 4.15Å; I17-E35 HydrophobicContact CD1-CG 4.48Å
18R86.1Confident86.7Confident185 Ų18570.2 Ų70.270%0.69833%0.333SS*.EExtended strand (participates in β ladder)trans-97.9122.9175.1-173.7178.5-173.1-164.91.7109.8A2A2-R18 HydrophobicContact CB-CG 3.77Å
19M86.2Confident86.6Confident7 Ų768.7 Ų68.73%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-154.5176.6178.767.7-176.8-67.500111.1A2 I3 V5 I17 E23 V27 L28 I61A2-M19 CarbonylContact C-O 3.55Å; A2-M19 VanDerWaalsContact CA-O 3.24Å; A2-M19 WeakPolarHBondContact CA-O 3.34Å; I3-M19 WeakPolarHBondContact CG2-O 3.38Å; I3-M19 PolarHBondContact N-O 3.11Å; I3-M19 PolarHBondContact O-N 3.41Å; I3-M19 VanDerWaalsContact O-N 3.09Å; I3-M19 VanDerWaalsContact O-O 3.09Å; V5-M19 HydrophobicContact CG2-CG 4.41Å; I17-M19 HydrophobicContact CG2-SD 4.49Å; M19-E23 WeakPolarHBondContact CB-OE2 3.33Å; M19-E23 HydrophobicContact CE-CB 3.52Å; M19-E23 HydrophobicContact CE-CG 4.45Å; M19-V27 HydrophobicContact CE-CB 4.34Å; M19-L28 HydrophobicContact CE-CB 3.88Å; M19-L28 HydrophobicContact SD-CB 3.59Å; M19-L28 VanDerWaalsContact SD-CB 3.59Å; M19-L28 HydrophobicContact SD-CD1 3.52Å; M19-L28 VanDerWaalsContact SD-CD1 3.52Å; M19-L28 HydrophobicContact SD-CD2 4.34Å; M19-L28 HydrophobicContact SD-CG 3.96Å; M19-I61 HydrophobicContact CE-CD1 3.36Å; M19-I61 HydrophobicContact CG-CD1 4.05Å; M19-I61 HydrophobicContact SD-CD1 3.31Å; M19-I61 WeakPolarHBondContact SD-CD1 3.39Å
20E85.7Confident86.6Confident90 Ų9074.5 Ų74.542%0.42135%0.354SS..  trans-91.1142.2179.2-58.2-14385.800111.9M1 E22 E23M1-E20 PolarHBondContact N-OE1 3.04Å; E20-E22 PolarHBondContact O-N 3.32Å; E20-E22 VanDerWaalsContact O-N 3.17Å; E20-E23 HydrophobicContact CB-CG 4.25Å; E20-E23 PolarHBondContact N-OE2 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.49Å; E20-E23 PolarHBondContact O-N 2.87Å
21P81.6Confident86.7Confident29 Ų2973.2 Ų73.219%0.18834%0.343CS..THydrogen-bonded Turntrans-68.1-16.2-176.828.7-36.4000113.1M1 I3 K62M1-P21 WeakPolarHBondContact O-CD 3.33Å; I3-P21 HydrophobicContact CG2-CB 4.17Å; P21-K62 HydrophobicContact CB-CB 4.25Å; P21-K62 WeakPolarHBondContact O-CB 3.43Å; P21-K62 PolarHBondContact O-N 3.41Å
22E83.9Confident86.9Confident145 Ų14566.6 Ų66.668%0.67831%0.312SS*.THydrogen-bonded Turntrans-84.8-11.6175.8-59.5-177.7102.300112.4E20E20-E22 PolarHBondContact O-N 3.32Å; E20-E22 VanDerWaalsContact O-N 3.17Å
23E85.4Confident87Confident61 Ų6163.5 Ų63.529%0.28530%0.297SS..SBendtrans-74.4148.2171.3-69.6177101.200111.1M19 E20 V27 I61M19-E23 WeakPolarHBondContact CB-OE2 3.33Å; M19-E23 HydrophobicContact CE-CB 3.52Å; M19-E23 HydrophobicContact CE-CG 4.45Å; E20-E23 HydrophobicContact CB-CG 4.25Å; E20-E23 PolarHBondContact N-OE2 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.49Å; E20-E23 PolarHBondContact O-N 2.87Å; E23-V27 HydrophobicContact CB-CB 4.38Å; E23-V27 WeakPolarHBondContact OE1-CG1 3.4Å; E23-I61 PolarHBondContact O-N 2.9Å
24T89.3Confident87Confident45 Ų4562.9 Ų62.928%0.27631%0.309SS..BIsolated β-bridgetrans-79.4156.9-179.357.70000112.4K26 V27 L28 D57T24-K26 PolarHBondContact O-N 3.02Å; T24-K26 VanDerWaalsContact O-N 3.09Å; T24-V27 PolarHBondContact O-N 3.04Å; T24-L28 PolarHBondContact O-N 2.89Å; T24-D57 WeakPolarHBondContact CB-O 3.47Å
25V88.3Confident86.8Confident0 Ų064.9 Ų64.90%031%0.313CS..Hα-helixtrans-58.6-22.6174.8168.10000111.9L28 K29 L48 L55 N56 V59 I61 Y64V25-L28 PolarHBondContact O-N 3.42Å; V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 2.79Å; V25-L48 HydrophobicContact CG1-CD1 4.34Å; V25-L48 HydrophobicContact CG1-CD2 4.38Å; V25-L55 HydrophobicContact CG1-CB 3.93Å; V25-L55 HydrophobicContact CG2-CB 4.04Å; V25-L55 HydrophobicContact CG2-CD2 3.77Å; V25-N56 WeakPolarHBondContact CB-O 3.25Å; V25-V59 WeakPolarHBondContact CG2-O 3.05Å; V25-V59 PolarHBondContact N-O 3.42Å; V25-I61 HydrophobicContact CG2-CG1 4.02Å; V25-Y64 HydrophobicContact CG2-CD2 4.14Å; V25-Y64 HydrophobicContact CG2-CE2 4.02Å
26K87.5Confident86.2Confident123 Ų12366.9 Ų66.954%0.53532%0.321SS..Hα-helixtrans-56.5-48167.1-169.6173.5173.9178.30113.1T24 L28 K29 E30 D57T24-K26 PolarHBondContact O-N 3.02Å; T24-K26 VanDerWaalsContact O-N 3.09Å; K26-L28 VanDerWaalsContact C-N 3.32Å; K26-K29 WeakPolarHBondContact O-CB 3.39Å; K26-K29 PolarHBondContact O-N 3.4Å; K26-E30 PolarHBondContact O-N 3.28Å; K26-E30 VanDerWaalsContact O-N 3.11Å; K26-D57 HydrophobicContact CB-CB 3.92Å; K26-D57 PolarHBondContact N-O 2.86Å; K26-D57 VanDerWaalsContact N-O 3.17Å
27V88.6Confident85.4Confident47 Ų4762.1 Ų62.129%0.28531%0.309SS..Hα-helixtrans-68.9-36-179.7-172.50000110.4M19 E23 T24 K29 E30 K31M19-V27 HydrophobicContact CE-CB 4.34Å; E23-V27 HydrophobicContact CB-CB 4.38Å; E23-V27 WeakPolarHBondContact OE1-CG1 3.4Å; T24-V27 PolarHBondContact O-N 3.04Å; V27-K29 PolarHBondContact O-N 3.26Å; V27-E30 PolarHBondContact O-N 3.39Å; V27-K31 WeakPolarHBondContact O-CB 3.45Å; V27-K31 PolarHBondContact O-N 3.12Å
28L87.4Confident84.4Confident0 Ų071 Ų710%034%0.342CS..Hα-helixtrans-59.8-43.9171.6178.553.3000112V5 L7 I17 M19 T24 V25 K26 E30 K31 I32 L48 I61V5-L28 HydrophobicContact CG1-CD2 4.27Å; L7-L28 HydrophobicContact CD1-CD1 4Å; I17-L28 HydrophobicContact CG2-CD1 4.21Å; M19-L28 HydrophobicContact CE-CB 3.88Å; M19-L28 HydrophobicContact SD-CB 3.59Å; M19-L28 VanDerWaalsContact SD-CB 3.59Å; M19-L28 HydrophobicContact SD-CD1 3.52Å; M19-L28 VanDerWaalsContact SD-CD1 3.52Å; M19-L28 HydrophobicContact SD-CD2 4.34Å; M19-L28 HydrophobicContact SD-CG 3.96Å; T24-L28 PolarHBondContact O-N 2.89Å; V25-L28 PolarHBondContact O-N 3.42Å; K26-L28 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 3.15Å; L28-K31 PolarHBondContact O-N 3.28Å; L28-I32 HydrophobicContact CD1-CD1 3.78Å; L28-I32 HydrophobicContact CD1-CG1 4.17Å; L28-I32 HydrophobicContact CG-CD1 3.84Å; L28-I32 VanDerWaalsContact O-CD1 3.3Å; L28-I32 WeakPolarHBondContact O-CD1 3.45Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.23Å; L28-L48 HydrophobicContact CD2-CD2 3.37Å; L28-L48 HydrophobicContact CG-CD2 3.74Å; L28-I61 HydrophobicContact CB-CD1 4.12Å; L28-I61 HydrophobicContact CD2-CD1 3.86Å; L28-I61 HydrophobicContact CD2-CG1 4.38Å
29K87.4Confident83.4Confident17 Ų1768.2 Ų68.27%0.07434%0.341CS..Hα-helixtrans-58.1-46.6173.9-70.2172.5-175.8-175.50111.4V25 K26 V27 K31 I32 E33 V43 Q46 L48 D57V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 2.79Å; K26-K29 WeakPolarHBondContact O-CB 3.39Å; K26-K29 PolarHBondContact O-N 3.4Å; V27-K29 PolarHBondContact O-N 3.26Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 3.09Å; K29-I32 PolarHBondContact O-N 2.96Å; K29-E33 PolarHBondContact O-N 3.23Å; K29-V43 HydrophobicContact CB-CB 4.44Å; K29-V43 HydrophobicContact CB-CG1 4Å; K29-V43 HydrophobicContact CB-CG2 4.06Å; K29-V43 HydrophobicContact CD-CG1 4.24Å; K29-Q46 WeakPolarHBondContact CE-O 3.3Å; K29-Q46 HydrophobicContact CG-CB 4.39Å; K29-Q46 HydrophobicContact CG-CG 4.38Å; K29-Q46 PolarHBondContact NZ-O 2.92Å; K29-L48 HydrophobicContact CD-CD1 4.23Å; K29-L48 HydrophobicContact CG-CD1 3.47Å; K29-L48 VanDerWaalsContact CG-CD1 3.47Å; K29-D57 HydrophobicContact CD-CB 4.39Å; K29-D57 IonicContact NZ-OD1 2.76Å; K29-D57 PolarHBondContact NZ-OD1 3.21Å
30E88.4Confident82.5Confident124 Ų12469.8 Ų69.858%0.57936%0.355SS*.Hα-helixtrans-64.5-37.2178.6-165.4174.1101.800112.5K26 V27 L28 E33 A34 V43K26-E30 PolarHBondContact O-N 3.28Å; K26-E30 VanDerWaalsContact O-N 3.11Å; V27-E30 PolarHBondContact O-N 3.39Å; L28-E30 PolarHBondContact O-N 3.15Å; E30-E33 PolarHBondContact O-N 3.29Å; E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 2.9Å; E30-V43 HydrophobicContact CB-CG2 4.49Å
31K87.3Confident82.1Confident98 Ų9865.6 Ų65.643%0.42634%0.335SS..Hα-helixtrans-64.3-38.8173.7-146.567.9150.6-1590112.3I17 V27 L28 K29 A34 E35I17-K31 HydrophobicContact CD1-CB 4.05Å; I17-K31 HydrophobicContact CD1-CG 4.09Å; I17-K31 HydrophobicContact CG2-CB 4.16Å; I17-K31 HydrophobicContact CG2-CG 3.66Å; V27-K31 WeakPolarHBondContact O-CB 3.45Å; V27-K31 PolarHBondContact O-N 3.12Å; L28-K31 PolarHBondContact O-N 3.28Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 3.09Å; K31-A34 PolarHBondContact O-N 3.24Å; K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.11Å
32I86.6Confident82.2Confident0 Ų066 Ų660%034%0.339CS..Hα-helixtrans-68.4-41175.5-67.3158.8000110.9L7 F15 I17 L28 K29 A34 E35 K36 F41 L48L7-I32 HydrophobicContact CD1-CD1 3.98Å; L7-I32 HydrophobicContact CD1-CG1 3.94Å; L7-I32 HydrophobicContact CD2-CD1 3.49Å; L7-I32 VanDerWaalsContact CD2-CD1 3.49Å; L7-I32 HydrophobicContact CD2-CG1 4.31Å; L7-I32 HydrophobicContact CG-CD1 4.34Å; F15-I32 HydrophobicContact CE2-CG1 4.18Å; F15-I32 HydrophobicContact CE2-CG2 4.48Å; F15-I32 HydrophobicContact CZ-CG1 4.2Å; F15-I32 HydrophobicContact CZ-CG2 3.97Å; I17-I32 HydrophobicContact CD1-CB 4.4Å; I17-I32 HydrophobicContact CD1-CG1 3.62Å; L28-I32 HydrophobicContact CD1-CD1 3.78Å; L28-I32 HydrophobicContact CD1-CG1 4.17Å; L28-I32 HydrophobicContact CG-CD1 3.84Å; L28-I32 VanDerWaalsContact O-CD1 3.3Å; L28-I32 WeakPolarHBondContact O-CD1 3.45Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.23Å; K29-I32 PolarHBondContact O-N 2.96Å; I32-A34 VanDerWaalsContact C-N 3.28Å; I32-A34 PolarHBondContact O-N 2.86Å; I32-E35 PolarHBondContact O-N 3.08Å; I32-K36 WeakPolarHBondContact O-CB 3.44Å; I32-K36 PolarHBondContact O-N 2.88Å; I32-F41 HydrophobicContact CG2-CB 4Å; I32-F41 HydrophobicContact CG2-CD1 4.21Å; I32-F41 HydrophobicContact CG2-CG 4.14Å; I32-L48 HydrophobicContact CD1-CD2 4.1Å
33E85Confident82Confident29 Ų2961.1 Ų61.114%0.13632%0.318CS..Hα-helixtrans-59.6-39.6173.2-176.3174111.800111.3K29 E30 G37 R38 F41 P42 V43K29-E33 PolarHBondContact O-N 3.23Å; E30-E33 PolarHBondContact O-N 3.29Å; E33-G37 CarbonylContact O-C 3.53Å; E33-G37 VanDerWaalsContact O-C 3.31Å; E33-G37 WeakPolarHBondContact O-CA 3.41Å; E33-G37 PolarHBondContact O-N 3.4Å; E33-R38 VanDerWaalsContact CD-CG 3.4Å; E33-R38 HydrophobicContact CG-CB 4.35Å; E33-R38 HydrophobicContact CG-CG 3.45Å; E33-R38 VanDerWaalsContact CG-CG 3.45Å; E33-R38 PolarHBondContact O-N 3.27Å; E33-R38 VanDerWaalsContact OE1-CG 3.31Å; E33-R38 WeakPolarHBondContact OE1-CG 3.43Å; E33-R38 IonicContact OE1-CZ 3.79Å; E33-R38 IonicContact OE1-NE 2.97Å; E33-R38 PolarHBondContact OE1-NE 3.38Å; E33-R38 IonicContact OE1-NH2 2.86Å; E33-R38 PolarHBondContact OE1-NH2 2.96Å; E33-F41 WeakPolarHBondContact CB-O 3.2Å; E33-F41 WeakPolarHBondContact CG-O 3.47Å; E33-P42 WeakPolarHBondContact OE2-CA 3.49Å; E33-V43 HydrophobicContact CB-CG2 4.06Å; E33-V43 WeakPolarHBondContact OE2-CG2 3.41Å; E33-V43 PolarHBondContact OE2-N 3.23Å
34A85.9Confident81.7Confident85 Ų8563.5 Ų63.570%0.70235%0.348SS*.Hα-helixtrans-71.6-43.4176.900000113.7E30 K31 I32E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 2.9Å; K31-A34 PolarHBondContact O-N 3.24Å; I32-A34 VanDerWaalsContact C-N 3.28Å; I32-A34 PolarHBondContact O-N 2.86Å
35E83.8Confident81.2Confident123 Ų12361.7 Ų61.758%0.57534%0.339SS*.Hα-helixtrans-75.6-39.2-177.6-170.483.180.200112.8F15 I17 K31 I32F15-E35 HydrophobicContact CD2-CG 4.19Å; F15-E35 HydrophobicContact CE2-CG 4.47Å; I17-E35 HydrophobicContact CD1-CB 4.15Å; I17-E35 HydrophobicContact CD1-CG 4.48Å; K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.11Å; I32-E35 PolarHBondContact O-N 3.08Å
36K77.6Confident81.2Confident65 Ų6561.9 Ų61.928%0.28334%0.34SS..Hα-helixtrans-107.5-10.4-172.4-16156.356.5-177.90113.8I32 F41I32-K36 WeakPolarHBondContact O-CB 3.44Å; I32-K36 PolarHBondContact O-N 2.88Å; K36-F41 HydrophobicContact CB-CD2 3.69Å; K36-F41 HydrophobicContact CB-CE2 4.21Å; K36-F41 HydrophobicContact CB-CG 4.34Å; K36-F41 HydrophobicContact CD-CE2 4.29Å; K36-F41 HydrophobicContact CG-CD2 3.23Å; K36-F41 HydrophobicContact CG-CE2 3.24Å; K36-F41 HydrophobicContact CG-CG 4.23Å; K36-F41 HydrophobicContact CG-CZ 4.23Å
37G72.9Confident81.2Confident29 Ų2960.5 Ų60.530%0.29933%0.334SS..  trans93.9137.6172.100000114.7E33 D39 A40 F41E33-G37 CarbonylContact O-C 3.53Å; E33-G37 VanDerWaalsContact O-C 3.31Å; E33-G37 WeakPolarHBondContact O-CA 3.41Å; E33-G37 PolarHBondContact O-N 3.4Å; G37-D39 VanDerWaalsContact C-N 3.3Å; G37-D39 PolarHBondContact O-N 2.87Å; G37-A40 PolarHBondContact O-N 3.3Å; G37-A40 VanDerWaalsContact O-N 3.13Å; G37-F41 PolarHBondContact O-N 2.85Å
38R68.3Low81.2Confident190 Ų19058.3 Ų58.372%0.71732%0.32SS*.THydrogen-bonded Turntrans-49.5-38.5-179.8-97.6-174.7168.9-179.7-3.2116.2E33 A40E33-R38 VanDerWaalsContact CD-CG 3.4Å; E33-R38 HydrophobicContact CG-CB 4.35Å; E33-R38 HydrophobicContact CG-CG 3.45Å; E33-R38 VanDerWaalsContact CG-CG 3.45Å; E33-R38 PolarHBondContact O-N 3.27Å; E33-R38 VanDerWaalsContact OE1-CG 3.31Å; E33-R38 WeakPolarHBondContact OE1-CG 3.43Å; E33-R38 IonicContact OE1-CZ 3.79Å; E33-R38 IonicContact OE1-NE 2.97Å; E33-R38 PolarHBondContact OE1-NE 3.38Å; E33-R38 IonicContact OE1-NH2 2.86Å; E33-R38 PolarHBondContact OE1-NH2 2.96Å; R38-A40 VanDerWaalsContact C-N 3.29Å; R38-A40 PolarHBondContact O-N 3.25Å
39D65.2Low81.3Confident125 Ų12560.1 Ų60.167%0.66833%0.33SS*.THydrogen-bonded Turntrans-71.3-29.4-175.5-154.6-78.9000112.4G37 K78G37-D39 VanDerWaalsContact C-N 3.3Å; G37-D39 PolarHBondContact O-N 2.87Å; D39-K78 PolarHBondContact O-NZ 3.46Å; D39-K78 IonicContact OD1-NZ 3.44Å; D39-K78 PolarHBondContact OD1-NZ 2.97Å
40A67.5Low81.4Confident40 Ų4060.3 Ų60.333%0.33133%0.33SS..THydrogen-bonded Turntrans-93.3-39.4-179.300000112.2G37 R38G37-A40 PolarHBondContact O-N 3.3Å; G37-A40 VanDerWaalsContact O-N 3.13Å; R38-A40 VanDerWaalsContact C-N 3.29Å; R38-A40 PolarHBondContact O-N 3.25Å
41F76.7Confident81.2Confident2 Ų258.8 Ų58.81%0.00934%0.339CS..  trans-131.373.2-174.6-63.3-93.4000113.1T9 I32 E33 K36 G37 V74 V76T9-F41 HydrophobicContact CG2-CE1 3.89Å; T9-F41 HydrophobicContact CG2-CE2 4.15Å; T9-F41 HydrophobicContact CG2-CZ 3.4Å; T9-F41 VanDerWaalsContact CG2-CZ 3.4Å; I32-F41 HydrophobicContact CG2-CB 4Å; I32-F41 HydrophobicContact CG2-CD1 4.21Å; I32-F41 HydrophobicContact CG2-CG 4.14Å; E33-F41 WeakPolarHBondContact CB-O 3.2Å; E33-F41 WeakPolarHBondContact CG-O 3.47Å; K36-F41 HydrophobicContact CB-CD2 3.69Å; K36-F41 HydrophobicContact CB-CE2 4.21Å; K36-F41 HydrophobicContact CB-CG 4.34Å; K36-F41 HydrophobicContact CD-CE2 4.29Å; K36-F41 HydrophobicContact CG-CD2 3.23Å; K36-F41 HydrophobicContact CG-CE2 3.24Å; K36-F41 HydrophobicContact CG-CG 4.23Å; K36-F41 HydrophobicContact CG-CZ 4.23Å; G37-F41 PolarHBondContact O-N 2.85Å; F41-V74 HydrophobicContact CD1-CG1 4.22Å; F41-V74 HydrophobicContact CD1-CG2 3.79Å; F41-V74 HydrophobicContact CE1-CG1 3.78Å; F41-V74 HydrophobicContact CE1-CG2 4.02Å; F41-V76 HydrophobicContact CB-CG1 4.22Å; F41-V76 HydrophobicContact CD1-CG1 3.27Å; F41-V76 HydrophobicContact CE1-CG1 3.72Å; F41-V76 HydrophobicContact CE1-CG2 4.29Å; F41-V76 HydrophobicContact CG-CG1 3.96Å
42P83.6Confident81Confident39 Ų3957.5 Ų57.525%0.25335%0.353SS..  trans-73.7128.6174.429.7-34000111.1E33 A44 G45 Q46E33-P42 WeakPolarHBondContact OE2-CA 3.49Å; P42-A44 PolarHBondContact O-N 2.92Å; P42-G45 PolarHBondContact O-N 3.05Å; P42-Q46 PolarHBondContact O-N 2.76Å
43V79.3Confident80.9Confident42 Ų4264.8 Ų64.826%0.25539%0.385SS..G310 helixtrans-49.1-40.2-177.8171.30000113K29 E30 E33 G45 Q46K29-V43 HydrophobicContact CB-CB 4.44Å; K29-V43 HydrophobicContact CB-CG1 4Å; K29-V43 HydrophobicContact CB-CG2 4.06Å; K29-V43 HydrophobicContact CD-CG1 4.24Å; E30-V43 HydrophobicContact CB-CG2 4.49Å; E33-V43 HydrophobicContact CB-CG2 4.06Å; E33-V43 WeakPolarHBondContact OE2-CG2 3.41Å; E33-V43 PolarHBondContact OE2-N 3.23Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 3.18Å; V43-Q46 PolarHBondContact O-N 2.89Å
44A78.7Confident81.1Confident110 Ų11068.1 Ų68.191%0.90940%0.402SS*.G310 helixtrans-67.3-25.6-178.900000114.5P42P42-A44 PolarHBondContact O-N 2.92Å
45G80Confident81.1Confident8 Ų864.2 Ų64.28%0.08237%0.37CS..G310 helixtrans-99.1-1.9176.400000113.5P42 V43 V76 T77P42-G45 PolarHBondContact O-N 3.05Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 3.18Å; G45-V76 WeakPolarHBondContact O-CA 3.42Å; G45-T77 PolarHBondContact O-N 3.23Å; G45-T77 PolarHBondContact O-OG1 2.8Å
46Q86.6Confident81.2Confident4 Ų463.1 Ų63.12%0.01937%0.368CS..EExtended strand (participates in β ladder)trans-91.4116.4-166.7-165177.8-40.400112.5K29 P42 V43 L48 V74 V76K29-Q46 WeakPolarHBondContact CE-O 3.3Å; K29-Q46 HydrophobicContact CG-CB 4.39Å; K29-Q46 HydrophobicContact CG-CG 4.38Å; K29-Q46 PolarHBondContact NZ-O 2.92Å; P42-Q46 PolarHBondContact O-N 2.76Å; V43-Q46 PolarHBondContact O-N 2.89Å; Q46-L48 HydrophobicContact CG-CD1 4.06Å; Q46-V74 HydrophobicContact CG-CG2 3.4Å; Q46-V74 VanDerWaalsContact CG-CG2 3.4Å; Q46-V76 HydrophobicContact CG-CG1 4.46Å
47K87.6Confident81.7Confident94 Ų9463.3 Ų63.341%0.40937%0.372SS..EExtended strand (participates in β ladder)trans-106.3129.7170.5-64.4179.8-179.7179.40109I49 V74 M75K47-I49 HydrophobicContact CB-CD1 4.19Å; K47-V74 WeakPolarHBondContact O-CA 3.45Å; K47-M75 HydrophobicContact CB-CB 4.41Å; K47-M75 PolarHBondContact N-O 3.04Å; K47-M75 PolarHBondContact O-N 3.48Å
48L88.8Confident82.4Confident0 Ų068.9 Ų68.90%040%0.395CS..EExtended strand (participates in β ladder)trans-102.2135.1171.2-74.982.7000107.8L7 V25 L28 K29 I32 Q46 I54 L55 V72 V73L7-L48 HydrophobicContact CD2-CD2 4.2Å; V25-L48 HydrophobicContact CG1-CD1 4.34Å; V25-L48 HydrophobicContact CG1-CD2 4.38Å; L28-L48 HydrophobicContact CD2-CD2 3.37Å; L28-L48 HydrophobicContact CG-CD2 3.74Å; K29-L48 HydrophobicContact CD-CD1 4.23Å; K29-L48 HydrophobicContact CG-CD1 3.47Å; K29-L48 VanDerWaalsContact CG-CD1 3.47Å; I32-L48 HydrophobicContact CD1-CD2 4.1Å; Q46-L48 HydrophobicContact CG-CD1 4.06Å; L48-I54 CarbonylContact O-C 3.58Å; L48-I54 WeakPolarHBondContact O-CA 3.14Å; L48-L55 HydrophobicContact CB-CB 4.22Å; L48-L55 HydrophobicContact CB-CD1 4.1Å; L48-L55 WeakPolarHBondContact O-CD1 3.47Å; L48-L55 PolarHBondContact O-N 3.46Å; L48-V72 HydrophobicContact CB-CG1 3.71Å; L48-V72 HydrophobicContact CD2-CG1 3.96Å; L48-V72 HydrophobicContact CG-CG1 4.12Å; L48-V73 CarbonylContact C-O 3.57Å; L48-V73 WeakPolarHBondContact CA-O 3.4Å
49I90.3Very high83.2Confident38 Ų3861.8 Ų61.820%0.19537%0.373CS..EExtended strand (participates in β ladder)trans-129.6120-178.2-51.891.7000108.7K47 K53 I54 V72 V73 M75K47-I49 HydrophobicContact CB-CD1 4.19Å; I49-K53 CarbonylContact C-O 3.57Å; I49-K53 VanDerWaalsContact CA-O 3.29Å; I49-K53 WeakPolarHBondContact CA-O 3.19Å; I49-I54 HydrophobicContact CG1-CG1 4.13Å; I49-V72 CarbonylContact O-C 3.54Å; I49-V73 HydrophobicContact CB-CB 4.37Å; I49-V73 WeakPolarHBondContact CD1-O 3.38Å; I49-V73 PolarHBondContact N-O 3.33Å; I49-V73 PolarHBondContact O-N 3.48Å; I49-M75 HydrophobicContact CD1-CB 3.87Å
50Y89.6Confident84.3Confident21 Ų2158 Ų588%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-127129.8178.6-178.6-106.3000109.4G52 K53 H65 I66 D67 N70 V72Y50-G52 PolarHBondContact O-N 3.29Å; Y50-G52 VanDerWaalsContact O-N 3.08Å; Y50-K53 PolarHBondContact N-O 3.17Å; Y50-K53 PolarHBondContact O-N 3.01Å; Y50-H65 WeakPolarHBondContact CE1-O 3.49Å; Y50-H65 PolarHBondContact OH-O 3.44Å; Y50-I66 HydrophobicContact CD1-CG1 4.42Å; Y50-I66 HydrophobicContact CD2-CG2 4.1Å; Y50-I66 HydrophobicContact CE2-CB 4.46Å; Y50-I66 HydrophobicContact CE2-CG2 3.76Å; Y50-D67 PolarHBondContact OH-N 2.96Å; Y50-D67 PolarHBondContact OH-OD2 3.17Å; Y50-D67 VanDerWaalsContact OH-OD2 3.1Å; Y50-N70 HydrophobicContact CE2-CB 3.45Å; Y50-N70 VanDerWaalsContact CE2-CB 3.45Å; Y50-N70 WeakPolarHBondContact OH-CB 3.3Å; Y50-N70 PolarHBondContact OH-ND2 2.8Å; Y50-V72 HydrophobicContact CD2-CG2 3.78Å; Y50-V72 HydrophobicContact CG-CG2 4.36Å
51A83.9Confident85.2Confident92 Ų9256.1 Ų56.176%0.7634%0.339SS*.THydrogen-bonded Turntrans46.639.4-176.400000113.5K53A51-K53 VanDerWaalsContact C-N 3.26Å; A51-K53 PolarHBondContact O-N 3.26Å
52G83Confident85.6Confident71 Ų7162.6 Ų62.673%0.73237%0.367SS*.THydrogen-bonded Turntrans77.6-8.9-177.200000116.3Y50Y50-G52 PolarHBondContact O-N 3.29Å; Y50-G52 VanDerWaalsContact O-N 3.08Å
53K84.9Confident85.7Confident154 Ų15467 Ų6767%0.6739%0.385SS*.EExtended strand (participates in β ladder)trans-91.2135.4176-66.4178.8-178.8173.80111I49 Y50 A51I49-K53 CarbonylContact C-O 3.57Å; I49-K53 VanDerWaalsContact CA-O 3.29Å; I49-K53 WeakPolarHBondContact CA-O 3.19Å; Y50-K53 PolarHBondContact N-O 3.17Å; Y50-K53 PolarHBondContact O-N 3.01Å; A51-K53 VanDerWaalsContact C-N 3.26Å; A51-K53 PolarHBondContact O-N 3.26Å
54I88.6Confident85.8Confident98 Ų9867.2 Ų67.250%0.50338%0.381SS..EExtended strand (participates in β ladder)trans-79129.7171.2-55.6175.1000108.6L48 I49L48-I54 CarbonylContact O-C 3.58Å; L48-I54 WeakPolarHBondContact O-CA 3.14Å; I49-I54 HydrophobicContact CG1-CG1 4.13Å
55L85.7Confident86Confident3 Ų368.9 Ų68.92%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-84.2131.9176.9-65.974.9000110.4V25 L48 Y64 I66 V72V25-L55 HydrophobicContact CG1-CB 3.93Å; V25-L55 HydrophobicContact CG2-CB 4.04Å; V25-L55 HydrophobicContact CG2-CD2 3.77Å; L48-L55 HydrophobicContact CB-CB 4.22Å; L48-L55 HydrophobicContact CB-CD1 4.1Å; L48-L55 WeakPolarHBondContact O-CD1 3.47Å; L48-L55 PolarHBondContact O-N 3.46Å; L55-Y64 HydrophobicContact CB-CD2 4.24Å; L55-Y64 HydrophobicContact CB-CE1 4.43Å; L55-Y64 HydrophobicContact CB-CE2 3.84Å; L55-Y64 HydrophobicContact CD2-CD2 3.68Å; L55-Y64 HydrophobicContact CD2-CE2 4.15Å; L55-Y64 HydrophobicContact CD2-CG 3.9Å; L55-Y64 HydrophobicContact CG-CD1 4.02Å; L55-Y64 HydrophobicContact CG-CD2 3.81Å; L55-Y64 HydrophobicContact CG-CE1 4.16Å; L55-Y64 HydrophobicContact CG-CE2 3.91Å; L55-Y64 HydrophobicContact CG-CG 3.85Å; L55-I66 HydrophobicContact CD2-CD1 3.63Å; L55-V72 HydrophobicContact CD1-CG1 4.29Å
56N87.3Confident86.1Confident100 Ų10069 Ų6954%0.53537%0.369SS..PPolyproline II helixtrans-84.8141.4172.5-75-38.6000110.3V25 D58 V59 Y64V25-N56 WeakPolarHBondContact CB-O 3.25Å; N56-D58 VanDerWaalsContact C-N 3.27Å; N56-D58 PolarHBondContact O-N 3.3Å; N56-V59 HydrophobicContact CB-CG2 4.27Å; N56-V59 PolarHBondContact O-N 3.49Å; N56-Y64 PolarHBondContact N-OH 3.19Å
57D87.8Confident85.8Confident70 Ų7073 Ų7337%0.37439%0.39SS..THydrogen-bonded Turntrans-67.5-21.5-178.940.6-84.9000115.1T24 K26 K29 V59T24-D57 WeakPolarHBondContact CB-O 3.47Å; K26-D57 HydrophobicContact CB-CB 3.92Å; K26-D57 PolarHBondContact N-O 2.86Å; K26-D57 VanDerWaalsContact N-O 3.17Å; K29-D57 HydrophobicContact CD-CB 4.39Å; K29-D57 IonicContact NZ-OD1 2.76Å; K29-D57 PolarHBondContact NZ-OD1 3.21Å; D57-V59 VanDerWaalsContact C-N 3.34Å
58D86.3Confident85.6Confident145 Ų14572.8 Ų72.878%0.77539%0.391SS*.THydrogen-bonded Turntrans-80.6-12.1179.4-135.6-121.3000113.7N56N56-D58 VanDerWaalsContact C-N 3.27Å; N56-D58 PolarHBondContact O-N 3.3Å
59V86.1Confident85.3Confident42 Ų4282.5 Ų82.526%0.25543%0.433SS..SBendtrans-101.8137.6-174.7177.50000110.3V25 N56 D57 E63 Y64V25-V59 WeakPolarHBondContact CG2-O 3.05Å; V25-V59 PolarHBondContact N-O 3.42Å; N56-V59 HydrophobicContact CB-CG2 4.27Å; N56-V59 PolarHBondContact O-N 3.49Å; D57-V59 VanDerWaalsContact C-N 3.34Å; V59-E63 HydrophobicContact CG1-CB 3.74Å; V59-E63 HydrophobicContact CG1-CG 4.08Å; V59-Y64 HydrophobicContact CB-CE2 3.61Å; V59-Y64 HydrophobicContact CG1-CD2 4.04Å; V59-Y64 HydrophobicContact CG1-CE2 3.4Å; V59-Y64 VanDerWaalsContact CG1-CE2 3.4Å
60P88.9Confident85.1Confident44 Ų4484.5 Ų84.529%0.28644%0.444SS..BIsolated β-bridgetrans-70.8150.8177.429.1-34.8000112.6K62 E63P60-K62 PolarHBondContact O-N 3.49Å; P60-E63 HydrophobicContact CG-CB 4.33Å; P60-E63 WeakPolarHBondContact O-CB 3.33Å; P60-E63 PolarHBondContact O-N 2.93Å; P60-E63 VanDerWaalsContact O-N 3.15Å
61I84.9Confident85.1Confident2 Ų288.1 Ų88.11%0.0146%0.46CS..G310 helixtrans-59-35.2-177.8-74.2167.8000112.5M19 E23 V25 L28 E63 Y64 I66M19-I61 HydrophobicContact CE-CD1 3.36Å; M19-I61 HydrophobicContact CG-CD1 4.05Å; M19-I61 HydrophobicContact SD-CD1 3.31Å; M19-I61 WeakPolarHBondContact SD-CD1 3.39Å; E23-I61 PolarHBondContact O-N 2.9Å; V25-I61 HydrophobicContact CG2-CG1 4.02Å; L28-I61 HydrophobicContact CB-CD1 4.12Å; L28-I61 HydrophobicContact CD2-CD1 3.86Å; L28-I61 HydrophobicContact CD2-CG1 4.38Å; I61-E63 VanDerWaalsContact C-N 3.26Å; I61-E63 PolarHBondContact O-N 3.39Å; I61-Y64 PolarHBondContact O-N 3.49Å; I61-Y64 VanDerWaalsContact O-N 3.12Å; I61-I66 HydrophobicContact CG1-CD1 4.49Å; I61-I66 HydrophobicContact CG2-CB 4.33Å; I61-I66 HydrophobicContact CG2-CD1 3.79Å; I61-I66 HydrophobicContact CG2-CG1 4.12Å
62K85Confident85.3Confident137 Ų13783.8 Ų83.860%0.59642%0.424SS*.G310 helixtrans-54.6-38177.1-168.8175.2-178.7-178.50113.6P21 P60 Y64 H65P21-K62 HydrophobicContact CB-CB 4.25Å; P21-K62 WeakPolarHBondContact O-CB 3.43Å; P21-K62 PolarHBondContact O-N 3.41Å; P60-K62 PolarHBondContact O-N 3.49Å; K62-Y64 VanDerWaalsContact C-N 3.26Å; K62-Y64 PolarHBondContact O-N 2.69Å; K62-H65 PolarHBondContact O-N 3.35Å
63E86.2Confident85.6Confident133 Ų13382.6 Ų82.662%0.62140%0.402SS*.G310 helixtrans-70.3-23.8-178.2-157.168.159.800112.5V59 P60 I61 H65V59-E63 HydrophobicContact CG1-CB 3.74Å; V59-E63 HydrophobicContact CG1-CG 4.08Å; P60-E63 HydrophobicContact CG-CB 4.33Å; P60-E63 WeakPolarHBondContact O-CB 3.33Å; P60-E63 PolarHBondContact O-N 2.93Å; P60-E63 VanDerWaalsContact O-N 3.15Å; I61-E63 VanDerWaalsContact C-N 3.26Å; I61-E63 PolarHBondContact O-N 3.39Å; E63-H65 VanDerWaalsContact C-N 3.32Å; E63-H65 PolarHBondContact O-CD2 2.87Å
64Y82.3Confident85.6Confident46 Ų4675.2 Ų75.218%0.1837%0.371CS..G310 helixtrans-85.6-2.2177.9-72.1-66.1000113.9V25 L55 N56 V59 I61 K62 I66V25-Y64 HydrophobicContact CG2-CD2 4.14Å; V25-Y64 HydrophobicContact CG2-CE2 4.02Å; L55-Y64 HydrophobicContact CB-CD2 4.24Å; L55-Y64 HydrophobicContact CB-CE1 4.43Å; L55-Y64 HydrophobicContact CB-CE2 3.84Å; L55-Y64 HydrophobicContact CD2-CD2 3.68Å; L55-Y64 HydrophobicContact CD2-CE2 4.15Å; L55-Y64 HydrophobicContact CD2-CG 3.9Å; L55-Y64 HydrophobicContact CG-CD1 4.02Å; L55-Y64 HydrophobicContact CG-CD2 3.81Å; L55-Y64 HydrophobicContact CG-CE1 4.16Å; L55-Y64 HydrophobicContact CG-CE2 3.91Å; L55-Y64 HydrophobicContact CG-CG 3.85Å; N56-Y64 PolarHBondContact N-OH 3.19Å; V59-Y64 HydrophobicContact CB-CE2 3.61Å; V59-Y64 HydrophobicContact CG1-CD2 4.04Å; V59-Y64 HydrophobicContact CG1-CE2 3.4Å; V59-Y64 VanDerWaalsContact CG1-CE2 3.4Å; I61-Y64 PolarHBondContact O-N 3.49Å; I61-Y64 VanDerWaalsContact O-N 3.12Å; K62-Y64 VanDerWaalsContact C-N 3.26Å; K62-Y64 PolarHBondContact O-N 2.69Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3.37Å
65H82.1Confident85.4Confident145 Ų14574.5 Ų74.567%0.67137%0.366SS*.THydrogen-bonded Turntrans48.450.5-178.1-64.8-94.2000112.4Y50 K62 E63 D67Y50-H65 WeakPolarHBondContact CE1-O 3.49Å; Y50-H65 PolarHBondContact OH-O 3.44Å; K62-H65 PolarHBondContact O-N 3.35Å; E63-H65 VanDerWaalsContact C-N 3.32Å; E63-H65 PolarHBondContact O-CD2 2.87Å; H65-D67 PolarHBondContact O-N 3.32Å
66I82.8Confident85.3Confident10 Ų1076.3 Ų76.35%0.05138%0.377CS..  trans-75.9111.3-179.3-47.8-172000110I3 V5 Y50 L55 I61 Y64 V72I3-I66 WeakPolarHBondContact CD1-O 3.31Å; V5-I66 HydrophobicContact CG1-CG2 4.29Å; Y50-I66 HydrophobicContact CD1-CG1 4.42Å; Y50-I66 HydrophobicContact CD2-CG2 4.1Å; Y50-I66 HydrophobicContact CE2-CB 4.46Å; Y50-I66 HydrophobicContact CE2-CG2 3.76Å; L55-I66 HydrophobicContact CD2-CD1 3.63Å; I61-I66 HydrophobicContact CG1-CD1 4.49Å; I61-I66 HydrophobicContact CG2-CB 4.33Å; I61-I66 HydrophobicContact CG2-CD1 3.79Å; I61-I66 HydrophobicContact CG2-CG1 4.12Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3.37Å; I66-V72 HydrophobicContact CD1-CG2 4Å; I66-V72 HydrophobicContact CG2-CG2 3.8Å
67D80.4Confident84.6Confident88 Ų8874.6 Ų74.647%0.47137%0.37SS..  trans-78.6140.8171.3-59.1-79.9000111.1Y50 H65 K69 N70Y50-D67 PolarHBondContact OH-N 2.96Å; Y50-D67 PolarHBondContact OH-OD2 3.17Å; Y50-D67 VanDerWaalsContact OH-OD2 3.1Å; H65-D67 PolarHBondContact O-N 3.32Å; D67-K69 PolarHBondContact O-N 3.04Å; D67-N70 HydrophobicContact CB-CB 4.17Å; D67-N70 PolarHBondContact O-N 3.28Å; D67-N70 VanDerWaalsContact O-N 3.07Å; D67-N70 PolarHBondContact OD2-ND2 3.02Å
68E83Confident83.5Confident90 Ų9077.9 Ų77.942%0.42138%0.381SS..THydrogen-bonded Turntrans-61.3-27.6172-178.8172.113000112.8T4 T6T4-E68 WeakPolarHBondContact CB-OE2 3.35Å; T4-E68 WeakPolarHBondContact O-CG 3.09Å; T4-E68 PolarHBondContact OG1-OE2 3.33Å; T6-E68 PolarHBondContact OG1-O 2.79Å; T6-E68 VanDerWaalsContact OG1-O 3.06Å
69K82.7Confident81.7Confident204 Ų20475 Ų7589%0.88738%0.377SS*.THydrogen-bonded Turntrans-71.9-27.5175.6-68-175.6178-178.20113.2D67D67-K69 PolarHBondContact O-N 3.04Å
70N86.5Confident79.4Confident79 Ų7982.9 Ų82.942%0.42241%0.408SS..SBendtrans-92.5166.1177.9-74.2-52.3000110T6 Y50 D67T6-N70 WeakPolarHBondContact CB-O 3.2Å; Y50-N70 HydrophobicContact CE2-CB 3.45Å; Y50-N70 VanDerWaalsContact CE2-CB 3.45Å; Y50-N70 WeakPolarHBondContact OH-CB 3.3Å; Y50-N70 PolarHBondContact OH-ND2 2.8Å; D67-N70 HydrophobicContact CB-CB 4.17Å; D67-N70 PolarHBondContact O-N 3.28Å; D67-N70 VanDerWaalsContact O-N 3.07Å; D67-N70 PolarHBondContact OD2-ND2 3.02Å
71F88Confident77.2Confident98 Ų9885.2 Ų85.243%0.4343%0.431SS..EExtended strand (participates in β ladder)trans-121.3143.3179.459.5-93.4000112.4T6 K8 V73T6-F71 HydrophobicContact CG2-CB 4.05Å; T6-F71 CarbonylContact O-C 3.38Å; T6-F71 VanDerWaalsContact O-CA 3.3Å; T6-F71 WeakPolarHBondContact O-CA 3.3Å; K8-F71 HydrophobicContact CB-CB 4.36Å; K8-F71 HydrophobicContact CB-CD2 3.8Å; K8-F71 HydrophobicContact CB-CG 4.29Å; K8-F71 HydrophobicContact CD-CD2 3.93Å; K8-F71 HydrophobicContact CD-CE2 3.9Å; K8-F71 HydrophobicContact CD-CG 4.44Å; K8-F71 HydrophobicContact CD-CZ 4.4Å; F71-V73 HydrophobicContact CD2-CG2 3.85Å; F71-V73 HydrophobicContact CE2-CG2 3.68Å
72V88.7Confident75.3Confident0 Ų088 Ų880%046%0.46CS..EExtended strand (participates in β ladder)trans-94.7118.1171.9-172.50000108.4V5 T6 L7 K8 L48 I49 Y50 L55 I66V5-V72 HydrophobicContact CG1-CG2 3.81Å; T6-V72 PolarHBondContact O-N 3.25Å; L7-V72 CarbonylContact C-O 3.58Å; L7-V72 WeakPolarHBondContact CA-O 3.45Å; L7-V72 HydrophobicContact CD2-CB 4.04Å; L7-V72 HydrophobicContact CD2-CG1 4.4Å; K8-V72 PolarHBondContact N-O 3.29Å; L48-V72 HydrophobicContact CB-CG1 3.71Å; L48-V72 HydrophobicContact CD2-CG1 3.96Å; L48-V72 HydrophobicContact CG-CG1 4.12Å; I49-V72 CarbonylContact O-C 3.54Å; Y50-V72 HydrophobicContact CD2-CG2 3.78Å; Y50-V72 HydrophobicContact CG-CG2 4.36Å; L55-V72 HydrophobicContact CD1-CG1 4.29Å; I66-V72 HydrophobicContact CD1-CG2 4Å; I66-V72 HydrophobicContact CG2-CG2 3.8Å
73V88.6Confident72.8Confident46 Ų4690.1 Ų90.128%0.27947%0.472SS..EExtended strand (participates in β ladder)trans-74.8127.5175.1-179.60000109.1K8 L48 I49 F71K8-V73 CarbonylContact O-C 3.31Å; K8-V73 VanDerWaalsContact O-CA 3.27Å; K8-V73 WeakPolarHBondContact O-CA 3.5Å; L48-V73 CarbonylContact C-O 3.57Å; L48-V73 WeakPolarHBondContact CA-O 3.4Å; I49-V73 HydrophobicContact CB-CB 4.37Å; I49-V73 WeakPolarHBondContact CD1-O 3.38Å; I49-V73 PolarHBondContact N-O 3.33Å; I49-V73 PolarHBondContact O-N 3.48Å; F71-V73 HydrophobicContact CD2-CG2 3.85Å; F71-V73 HydrophobicContact CE2-CG2 3.68Å
74V85.6Confident70.4Confident0 Ų089 Ų890%048%0.48CS..EExtended strand (participates in β ladder)trans-105.8114.8174.559.50000110.7K8 T9 L10 F41 Q46 K47K8-V74 PolarHBondContact O-N 2.97Å; T9-V74 HydrophobicContact CG2-CG1 3.93Å; L10-V74 PolarHBondContact N-O 3.3Å; F41-V74 HydrophobicContact CD1-CG1 4.22Å; F41-V74 HydrophobicContact CD1-CG2 3.79Å; F41-V74 HydrophobicContact CE1-CG1 3.78Å; F41-V74 HydrophobicContact CE1-CG2 4.02Å; Q46-V74 HydrophobicContact CG-CG2 3.4Å; Q46-V74 VanDerWaalsContact CG-CG2 3.4Å; K47-V74 WeakPolarHBondContact O-CA 3.45Å
75M84.6Confident68Low83 Ų8393.3 Ų93.341%0.40951%0.511SS..EExtended strand (participates in β ladder)trans-103.9136.9175-174.6-172.9-168.200109.5K47 I49K47-M75 HydrophobicContact CB-CB 4.41Å; K47-M75 PolarHBondContact N-O 3.04Å; K47-M75 PolarHBondContact O-N 3.48Å; I49-M75 HydrophobicContact CD1-CB 3.87Å
76V83.4Confident65.9Low40 Ų4092 Ų9224%0.24252%0.515CS..EExtended strand (participates in β ladder)trans-117.7112.8177.5-73.30000110.3F41 G45 Q46 K78F41-V76 HydrophobicContact CB-CG1 4.22Å; F41-V76 HydrophobicContact CD1-CG1 3.27Å; F41-V76 HydrophobicContact CE1-CG1 3.72Å; F41-V76 HydrophobicContact CE1-CG2 4.29Å; F41-V76 HydrophobicContact CG-CG1 3.96Å; G45-V76 WeakPolarHBondContact O-CA 3.42Å; Q46-V76 HydrophobicContact CG-CG1 4.46Å; V76-K78 PolarHBondContact O-N 3.24Å
77T73.5Confident63.7Low64 Ų6495.6 Ų95.639%0.39355%0.546SS..  trans-80.896.4165.352.90000107.6G45 A79G45-T77 PolarHBondContact O-N 3.23Å; G45-T77 PolarHBondContact O-OG1 2.8Å; T77-A79 PolarHBondContact O-N 2.87Å
78K64.3Low61.9Low140 Ų14097.3 Ų97.361%0.60956%0.562SS**  trans-68.784.2175.9-168157-172.2149.80109.3D39 V76 K80D39-K78 PolarHBondContact O-NZ 3.46Å; D39-K78 IonicContact OD1-NZ 3.44Å; D39-K78 PolarHBondContact OD1-NZ 2.97Å; V76-K78 PolarHBondContact O-N 3.24Å; K78-K80 PolarHBondContact O-N 2.78Å
79A48.1Very low60.3Low83 Ų8399 Ų9969%0.68658%0.581SS**  trans-55127.216200000107.2T77 A81T77-A79 PolarHBondContact O-N 2.87Å; A79-A81 PolarHBondContact O-N 3.34Å
80K38.6Very low58.1Low208 Ų20897.9 Ų97.990%0.90458%0.579SS**  trans-7373.5-178.8-169.7172.6-178.3173.50109.5K78 G82K78-K80 PolarHBondContact O-N 2.78Å; K80-G82 PolarHBondContact O-N 2.92Å
81A41Very low55.7Low93 Ų9399.9 Ų99.977%0.76959%0.594SS**  trans-64.2101.6171.100000108.1A79 Q83A79-A81 PolarHBondContact O-N 3.34Å; A81-Q83 PolarHBondContact O-N 2.8Å
82G45Very low53.6Low61 Ų61100.6 Ų100.663%0.62961%0.611SS**  trans-70.4112.8174.600000110.7K80K80-G82 PolarHBondContact O-N 2.92Å
83Q33.8Very low52Low181 Ų181106.4 Ų106.485%0.84665%0.649SS**  trans-160.2106.1151-106.2156.283.600105.6A81A81-Q83 PolarHBondContact O-N 2.8Å
84S35.3Very low49.4Very low111 Ų111111.4 Ų111.478%0.77668%0.679SS**  69.671.169.7-58.50000112.3P86S84-P86 WeakPolarHBondContact O-CD 3.49Å
85T31.4Very low47.3Very low135 Ų135116 Ų11683%0.82872%0.718SS**  trans-89.1111.7153.6-40.40000107.5A87T85-A87 PolarHBondContact O-N 3.24Å; T85-A87 VanDerWaalsContact O-N 3.15Å
86P39.2Very low45.2Very low117 Ų117116.2 Ų116.276%0.7673%0.733SS**  trans-74.8103.7174.929.4-31.9000109.5S84S84-P86 WeakPolarHBondContact O-CD 3.49Å
87A36.4Very low43.6Very low86 Ų86119.7 Ų119.771%0.71176%0.756SS**PPolyproline II helixtrans-71.6132.6164.200000109.1T85T85-A87 PolarHBondContact O-N 3.24Å; T85-A87 VanDerWaalsContact O-N 3.15Å
88P42.8Very low41.9Very low125 Ų125125 Ų12581%0.81278%0.776SS**PPolyproline II helixtrans-62.1140.3177.4-21.632.4000112.2
89P49.7Very low40.6Very low126 Ų126124.4 Ų124.482%0.81879%0.79SS**PPolyproline II helixtrans-89.7124.8174.733.3-30.4000111.4
90E35.4Very low40.3Very low180 Ų180125.8 Ų125.884%0.84179%0.794SS**  trans-145.4105.1165.1-151.7160.482.900112.7
91V36.9Very low40.4Very low120 Ų120122 Ų12273%0.72779%0.789SS**  trans43.8108152.1-49.90000120.2
92S42.8Very low40.8Very low113 Ų113123.3 Ų123.379%0.7979%0.79SS**  82.1157.983.1-67.20000115.7
93P55.7Low40.8Very low122 Ų122129 Ų12979%0.79280%0.797SS**  cis-138.1163.7-47.339.3-24000113.8
94T35Very low41.3Very low151 Ų151125.4 Ų125.493%0.92679%0.79SS**  trans-154.1163.6144.9-150.40000111.8
95A39.8Very low42Very low97 Ų97125.5 Ų125.580%0.80279%0.788SS**  trans-86.5160.3-145.800000118.5
96A42Very low42.3Very low88 Ų88123.5 Ų123.573%0.72779%0.785SS**  trans-73.8-178.6172.300000112.3
97P48.4Very low42.7Very low113 Ų113123.9 Ų123.973%0.73479%0.788SS**  cis-129138.640.326.5-3.3000116
98E38.2Very low42.6Very low174 Ų174126.6 Ų126.681%0.81380%0.795SS**  73.2115.592.4-59.7-165.6105.100118
99S38.3Very low42.7Very low128 Ų128126.8 Ų126.890%0.89580%0.8SS**  trans-156.6149.5136.7-88.10000110.9
100S41.8Very low41.8Very low112 Ų112124.4 Ų124.478%0.78380%0.798SS**  trans-91.5157-150.6-54.80000117.1
101T39.5Very low42.1Very low128 Ų128124.4 Ų124.479%0.78580%0.8SS**  trans-50.2169.3156.221.90000113.8
102P48.8Very low41.9Very low121 Ų121124.2 Ų124.279%0.78680%0.804SS**  cis-142.8165.133.739.1-17.5000120.9
103F46.8Very low41.7Very low180 Ų180127 Ų12779%0.78981%0.805SS**PPolyproline II helixtrans-74142.4168.9-176.8-98.7000112.7
104P44.2Very low40.9Very low107 Ų107127.2 Ų127.270%0.69581%0.805SS**PPolyproline II helixtrans-95.8146.4160.634-29.3000112.2
105P48.1Very low41.1Very low113 Ų113125.2 Ų125.273%0.73480%0.795SS**PPolyproline II helixtrans-87166.9-170.135.7-37.6000115
106A39.3Very low41.2Very low92 Ų92127 Ų12776%0.7680%0.799SS**PPolyproline II helixtrans-76.1153.9172.100000113.2
107P46.5Very low40.7Very low126 Ų126126.9 Ų126.982%0.81880%0.797SS**PPolyproline II helixtrans-93.5153.8163.735.5-30.7000112.6
108T34.8Very low40.1Very low142 Ų142126.8 Ų126.887%0.87180%0.8SS**PPolyproline II helixtrans-93.5165.6-18047.60000113.1
109S44.7Very low40.2Very low130 Ų130128.9 Ų128.991%0.90980%0.8SS**PPolyproline II helixtrans-54.1144-178.8-48.30000115.4
110G31.9Very low40.1Very low76 Ų76131.3 Ų131.378%0.78480%0.797SS**  trans-173.1128.3166.200000112.9
111M39.7Very low39.6Very low180 Ų180131.9 Ų131.989%0.88779%0.792SS**  trans-45.7135.3176.4-110.469.4172.100114.3
112S32.9Very low39.3Very low115 Ų115134.5 Ų134.580%0.80479%0.792SS**  168.8158.2114.9-75.70000113.4
113H39.5Very low38.7Very low173 Ų173133.8 Ų133.880%0.80179%0.79SS**  trans-59.3157.4172.9-54141.1000113P115H113-P115 WeakPolarHBondContact O-CD 3.4Å
114P38Very low38.4Very low125 Ų125130.8 Ų130.881%0.81279%0.789SS**  trans-87.9111.1162.933-29.7000112.1
115P40.8Very low38.2Very low110 Ų110131 Ų13171%0.71479%0.793SS**  trans-90.9129.7152.933.4-30.2000109.9H113 A117H113-P115 WeakPolarHBondContact O-CD 3.4Å; P115-A117 PolarHBondContact O-N 2.73Å
116P40.6Very low37.7Very low135 Ų135134.1 Ų134.188%0.87780%0.797SS**  trans-90.596173.633.1-30.1000110.9
117A32.3Very low37.8Very low84 Ų84139.1 Ų139.169%0.69481%0.805SS**  trans-161.1108.8165.400000113.9P115P115-A117 PolarHBondContact O-N 2.73Å
118S35.9Very low37.4Very low112 Ų112138.3 Ų138.378%0.78380%0.802SS**  trans62.4153.9136.2-58.30000119.5
119R38.8Very low37.4Very low217 Ų217136.4 Ų136.482%0.81980%0.801SS**  cis-164178.89-134.3170.5-174.1-173.7-0.1111.7
120E37.2Very low36.8Very low179 Ų179137 Ų13784%0.83680%0.799SS**  trans84.7138.7159.4-72.1151.781.700117.3
121D30.3Very low37Very low125 Ų125137.6 Ų137.667%0.66880%0.797SS**  cis-142142.65.7-177-129.3000105.7
122K34.8Very low36.5Very low183 Ų183135.6 Ų135.680%0.79680%0.795SS**  -173.6151.857.5-158.8163.9-149.9151.10113
123S34.6Very low36.7Very low105 Ų105135.5 Ų135.573%0.73479%0.794SS**  trans-60.8176.4177.3-123.90000115.9
124P42.4Very low37.4Very low118 Ų118131.9 Ų131.977%0.76679%0.786SS**  cis-126.3-175.51.139.1-19.5000113.3
125S38.5Very low37.1Very low111 Ų111134.4 Ų134.478%0.77679%0.787SS**  cis-155160.223.7-167.60000113.2
126E39Very low36.9Very low178 Ų178133.3 Ų133.383%0.83278%0.782SS**  trans-57.1159.2169-75.9150.285.100113
127E40Very low36.9Very low198 Ų198134.9 Ų134.993%0.92578%0.781SS**  -157.4165.363.7-163.916683.500114.7
128S39.4Very low37.3Very low108 Ų108136.4 Ų136.476%0.75579%0.787SS**  trans-115.6144.2-171.3176.10000112.5
129A33.8Very low37.2Very low102 Ų102134.7 Ų134.784%0.84379%0.787SS**  trans-157.5129.4156.100000113.8
130T33Very low37Very low142 Ų142129.5 Ų129.587%0.87178%0.784SS**  trans-113.6123.8161.87.60000108.6
131A34.7Very low37Very low89 Ų89127.5 Ų127.574%0.73678%0.784SS**  trans-168.6125.2162.500000114.6
132T29.9Very low38.2Very low138 Ų138127.4 Ų127.485%0.84779%0.79SS**  trans37.1136.1136.560.40000124.3
133S37.2Very low38.5Very low113 Ų113124.6 Ų124.679%0.7979%0.794SS**  trans-60.3179.9156.5-136.70000113.5
134P54.6Low38.9Very low98 Ų98125.5 Ų125.564%0.63680%0.8SS**  cis-137.2-169.8-1.843.2-24.7000115.5
135E31.8Very low38.6Very low177 Ų177123.6 Ų123.683%0.82780%0.801SS**  trans64.5153.5161.1-69.6-16365.100118.4
136S36.9Very low38.7Very low88 Ų88124.1 Ų124.162%0.61581%0.805SS**  cis-159.2170.9-18.3-87.50000105.6
137I39.9Very low38.9Very low167 Ų167121.3 Ų121.386%0.85681%0.805SS**  cis-161.3-17946.950.3163.5000112.2
138S41.4Very low39.2Very low116 Ų116115.4 Ų115.481%0.81180%0.798SS**  trans-54.1154.7174-172.50000119.6
139G32.3Very low39.5Very low76 Ų76120.1 Ų120.178%0.78480%0.799SS**  trans177.6107.9161.700000115.1
140S34.8Very low39.8Very low109 Ų109122.9 Ų122.976%0.76279%0.794SS**  trans-71.4143.3-175.6-49.90000115.4
141V38.4Very low40.4Very low137 Ų137124.9 Ų124.983%0.8379%0.794SS**  178.2143.298-81.30000111.9
142P55.6Low40.8Very low123 Ų123126 Ų12680%0.79979%0.788SS**  trans-115.1118.1166.735.3-23.8000112.8
143S39.4Very low41.6Very low124 Ų124123.9 Ų123.987%0.86778%0.784SS**  trans173.4150.8159.6-85.30000109.8
144S43.9Very low41.9Very low123 Ų123122.1 Ų122.186%0.8678%0.776SS**  cis-169.2141.2-23.9-1740000105.4
145G35.7Very low41.5Very low78 Ų78119.1 Ų119.180%0.80476%0.758SS**  trans163.142.7-176.700000119.4
146S39.9Very low42.1Very low122 Ų122116.3 Ų116.385%0.85375%0.753SS**  trans-147.6125150.8-161.90000109.5
147S43.3Very low42.5Very low119 Ų119119.8 Ų119.883%0.83276%0.764SS**  trans-73.5139.7-172.1-57.10000112.1
148G48Very low43.2Very low75 Ų75115 Ų11577%0.77374%0.742SS**  trans45.784.5150.100000117.1
149R44Very low44.2Very low206 Ų206115 Ų11578%0.77774%0.737SS**  trans-134.390150.2-171.7165.1171.9159.1-3.9108.5E151 D152R149-E151 PolarHBondContact O-N 2.88Å; R149-D152 IonicContact CZ-OD1 3.8Å; R149-D152 IonicContact NE-OD1 3.84Å; R149-D152 IonicContact NH2-OD1 3.94Å; R149-D152 PolarHBondContact NH2-OD1 2.86Å
150E40.5Very low45.6Very low161 Ų161112.9 Ų112.975%0.75272%0.716SS**  trans-49.2121.4173.254.5-126.763.600112.2D152E150-D152 PolarHBondContact O-N 3.37Å
151E46Very low47.7Very low183 Ų183112 Ų11286%0.85571%0.709SS**  trans35.930.7145.2-65.8169.189.300120.1R149 A153R149-E151 PolarHBondContact O-N 2.88Å; E151-A153 PolarHBondContact O-N 2.99Å
152D43.5Very low49.6Very low114 Ų114111.6 Ų111.661%0.6170%0.698SS**  trans-75.458.1171.5-169-147.8000111.2R149 E150R149-D152 IonicContact CZ-OD1 3.8Å; R149-D152 IonicContact NE-OD1 3.84Å; R149-D152 IonicContact NH2-OD1 3.94Å; R149-D152 PolarHBondContact NH2-OD1 2.86Å; E150-D152 PolarHBondContact O-N 3.37Å
153A45.5Very low50.9Low93 Ų93108.3 Ų108.377%0.76967%0.67SS**  trans-142.122.2-167.200000115.2E151E151-A153 PolarHBondContact O-N 2.99Å
154A43.8Very low53.1Low76 Ų76107.9 Ų107.963%0.62866%0.655SS**SBendtrans-135.1-10.3179.700000116.7
155S45.9Very low55.2Low35 Ų35105.7 Ų105.725%0.24564%0.636CS.*SBendtrans-108.31.5-168.8-115.50000117.5L157 Y188S155-L157 PolarHBondContact O-N 3.46Å; S155-Y188 WeakPolarHBondContact CB-OH 3.45Å; S155-Y188 WeakPolarHBondContact OG-CE1 3.31Å; S155-Y188 WeakPolarHBondContact OG-CE2 3.27Å; S155-Y188 PolarHBondContact OG-OH 3.16Å
156T45.8Very low57.7Low118 Ų118103.8 Ų103.872%0.72461%0.607SS**THydrogen-bonded Turntrans-82.19.7-179.4-40.20000113.6
157L45.6Very low60Low161 Ų16198.5 Ų98.584%0.84357%0.569SS**THydrogen-bonded Turntrans-120-4-172.5-64.7177.2000115.2S155S155-L157 PolarHBondContact O-N 3.46Å
158V53.5Low62.2Low66 Ų6696.9 Ų96.940%0.455%0.554SS.*  trans-106.171.6172.6-174.60000108.6E162V158-E162 HydrophobicContact CG1-CB 4.21Å
159T63.1Low64.2Low115 Ų11599.1 Ų99.171%0.70654%0.544SS*.  trans-131.2121.1-174.454.70000111.3
160G62.5Low66.2Low33 Ų3389.5 Ų89.534%0.3451%0.508SS..SBendtrans118.2-126.2-179.300000111.4E162 Y163 E164G160-E162 PolarHBondContact O-N 3.31Å; G160-Y163 WeakPolarHBondContact O-CB 3.48Å; G160-Y163 PolarHBondContact O-N 3.15Å; G160-Y163 VanDerWaalsContact O-N 3.11Å; G160-E164 PolarHBondContact O-N 2.81Å
161S77.4Confident68.5Low89 Ų8984.9 Ų84.962%0.62249%0.488SS*.Hα-helixtrans-60.6-41-164.6-50.80000115.2Y163 E164 T165S161-Y163 VanDerWaalsContact C-N 3.31Å; S161-Y163 PolarHBondContact O-N 3.04Å; S161-E164 PolarHBondContact O-N 2.68Å; S161-T165 PolarHBondContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 2.87Å
162E78Confident70.5Confident130 Ų13081.1 Ų81.161%0.60748%0.482SS*.Hα-helixtrans-62.1-40.8177.7-129.895.198.800111.7V158 G160 T165 M166V158-E162 HydrophobicContact CG1-CB 4.21Å; G160-E162 PolarHBondContact O-N 3.31Å; E162-T165 PolarHBondContact O-N 2.87Å; E162-M166 HydrophobicContact CG-CE 4.16Å; E162-M166 WeakPolarHBondContact O-CG 3.4Å; E162-M166 PolarHBondContact O-N 3.48Å
163Y83.9Confident72.4Confident53 Ų5381.4 Ų81.421%0.20848%0.481CS..Hα-helixtrans-66.7-42.1177.3178.9-98000111G160 S161 M166 L167 V181 L184 N189G160-Y163 WeakPolarHBondContact O-CB 3.48Å; G160-Y163 PolarHBondContact O-N 3.15Å; G160-Y163 VanDerWaalsContact O-N 3.11Å; S161-Y163 VanDerWaalsContact C-N 3.31Å; S161-Y163 PolarHBondContact O-N 3.04Å; Y163-M166 PolarHBondContact O-N 3.31Å; Y163-L167 HydrophobicContact CD1-CD1 4.13Å; Y163-L167 HydrophobicContact CE1-CD1 3.57Å; Y163-L167 HydrophobicContact CE2-CD1 4.23Å; Y163-L167 WeakPolarHBondContact O-CB 3.47Å; Y163-L167 PolarHBondContact O-N 2.89Å; Y163-V181 WeakPolarHBondContact OH-CG1 3.35Å; Y163-L184 HydrophobicContact CD2-CD2 3.77Å; Y163-L184 HydrophobicContact CD2-CG 4.4Å; Y163-L184 HydrophobicContact CE2-CB 4.3Å; Y163-L184 HydrophobicContact CE2-CD2 3.63Å; Y163-L184 HydrophobicContact CE2-CG 4.04Å; Y163-N189 WeakPolarHBondContact CD2-OD1 3.5Å; Y163-N189 WeakPolarHBondContact CE2-OD1 3.32Å
164E85.3Confident74.2Confident115 Ų11580.2 Ų80.254%0.53748%0.478SS..Hα-helixtrans-65-37.2174.8-68.7179.1103.400112.8G160 S161 L167 T168G160-E164 PolarHBondContact O-N 2.81Å; S161-E164 PolarHBondContact O-N 2.68Å; E164-L167 WeakPolarHBondContact O-CB 3.08Å; E164-L167 PolarHBondContact O-N 2.84Å; E164-T168 WeakPolarHBondContact O-CB 3.49Å; E164-T168 PolarHBondContact O-N 3.49Å; E164-T168 PolarHBondContact O-OG1 3.29Å
165T88.1Confident76.2Confident77 Ų7779.5 Ų79.547%0.47246%0.459SS..Hα-helixtrans-63.6-51.6174.3-60.10000110.9S161 E162 L167 T168 E169S161-T165 PolarHBondContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 2.87Å; E162-T165 PolarHBondContact O-N 2.87Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 PolarHBondContact O-N 3.28Å; T165-T168 WeakPolarHBondContact O-CB 3.42Å; T165-T168 PolarHBondContact O-N 3Å; T165-E169 PolarHBondContact O-N 3.26Å
166M87.4Confident78.2Confident39 Ų3984.8 Ų84.819%0.19248%0.48CS..Hα-helixtrans-59.6-38.2175.6-66.6176.3-16100112E162 Y163 T168 I170 L184E162-M166 HydrophobicContact CG-CE 4.16Å; E162-M166 WeakPolarHBondContact O-CG 3.4Å; E162-M166 PolarHBondContact O-N 3.48Å; Y163-M166 PolarHBondContact O-N 3.31Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 2.91Å; M166-I170 WeakPolarHBondContact O-CD1 3.47Å; M166-I170 VanDerWaalsContact O-CG1 3.3Å; M166-I170 WeakPolarHBondContact O-CG1 3.45Å; M166-I170 PolarHBondContact O-N 2.83Å; M166-I170 VanDerWaalsContact O-N 3.16Å; M166-L184 HydrophobicContact CB-CD1 4.49Å; M166-L184 HydrophobicContact CB-CD2 3.87Å
167L88.6Confident80.2Confident11 Ų1186.9 Ų86.96%0.05848%0.475CS..Hα-helixtrans-59.2-45.4173.5-128.987.1000111.6Y163 E164 T165 M171 R177 V180 V181 L184Y163-L167 HydrophobicContact CD1-CD1 4.13Å; Y163-L167 HydrophobicContact CE1-CD1 3.57Å; Y163-L167 HydrophobicContact CE2-CD1 4.23Å; Y163-L167 WeakPolarHBondContact O-CB 3.47Å; Y163-L167 PolarHBondContact O-N 2.89Å; E164-L167 WeakPolarHBondContact O-CB 3.08Å; E164-L167 PolarHBondContact O-N 2.84Å; T165-L167 VanDerWaalsContact C-N 3.27Å; T165-L167 PolarHBondContact O-N 3.28Å; L167-M171 HydrophobicContact CD2-CE 4.39Å; L167-M171 WeakPolarHBondContact O-CB 3.5Å; L167-M171 PolarHBondContact O-N 3.34Å; L167-R177 HydrophobicContact CD2-CG 3.77Å; L167-V180 HydrophobicContact CD1-CG1 4.16Å; L167-V180 HydrophobicContact CG-CG1 3.99Å; L167-V181 HydrophobicContact CD1-CG2 3.82Å; L167-V181 HydrophobicContact CD2-CG2 3.88Å; L167-V181 HydrophobicContact CG-CG2 4.3Å; L167-L184 HydrophobicContact CD1-CD2 3.82Å
168T89.9Confident82.1Confident85 Ų8586.9 Ų86.952%0.52147%0.471SS..Hα-helixtrans-69.1-40.1-177.3-58.90000111.3E164 T165 M166 M171 S172E164-T168 WeakPolarHBondContact O-CB 3.49Å; E164-T168 PolarHBondContact O-N 3.49Å; E164-T168 PolarHBondContact O-OG1 3.29Å; T165-T168 WeakPolarHBondContact O-CB 3.42Å; T165-T168 PolarHBondContact O-N 3Å; M166-T168 VanDerWaalsContact C-N 3.33Å; M166-T168 PolarHBondContact O-N 2.91Å; T168-M171 PolarHBondContact O-N 3.44Å; T168-S172 WeakPolarHBondContact O-CB 3.21Å; T168-S172 PolarHBondContact O-N 2.76Å
169E89.4Confident83.6Confident121 Ų12189.7 Ų89.757%0.56547%0.474SS*.Hα-helixtrans-61.5-47.2175.6-72.1-175.6103.200112T165 S172T165-E169 PolarHBondContact O-N 3.26Å; E169-S172 WeakPolarHBondContact O-CB 3.08Å; E169-S172 PolarHBondContact O-N 3.4Å
170I86.4Confident84.8Confident4 Ų484.2 Ų84.22%0.02144%0.44CS..Hα-helixtrans-73-36.2179.9-55.4160.7000110.9M166 S172 M173 Y175 V180 L184 P191 A194 V195 L198M166-I170 WeakPolarHBondContact O-CD1 3.47Å; M166-I170 VanDerWaalsContact O-CG1 3.3Å; M166-I170 WeakPolarHBondContact O-CG1 3.45Å; M166-I170 PolarHBondContact O-N 2.83Å; M166-I170 VanDerWaalsContact O-N 3.16Å; I170-S172 VanDerWaalsContact C-N 3.25Å; I170-S172 PolarHBondContact O-N 3.44Å; I170-M173 WeakPolarHBondContact O-CB 3.44Å; I170-M173 PolarHBondContact O-N 2.91Å; I170-Y175 HydrophobicContact CG2-CD2 3.83Å; I170-Y175 HydrophobicContact CG2-CG 4.47Å; I170-V180 HydrophobicContact CB-CG1 3.81Å; I170-V180 HydrophobicContact CB-CG2 4.19Å; I170-V180 HydrophobicContact CD1-CG1 3.97Å; I170-V180 HydrophobicContact CG2-CB 4.44Å; I170-V180 HydrophobicContact CG2-CG1 3.95Å; I170-V180 HydrophobicContact CG2-CG2 3.64Å; I170-L184 HydrophobicContact CD1-CD1 4.01Å; I170-P191 HydrophobicContact CD1-CB 3.99Å; I170-P191 HydrophobicContact CG1-CB 4.32Å; I170-A194 HydrophobicContact CD1-CB 3.85Å; I170-V195 HydrophobicContact CG1-CG2 4.45Å; I170-V195 HydrophobicContact CG2-CG2 4.11Å; I170-L198 HydrophobicContact CG2-CD1 3.66Å
171M88.7Confident86.1Confident64 Ų6485.1 Ų85.132%0.31544%0.439SS..Hα-helixtrans-63-32.9172.8-175.3-175.1-52.200111.9L167 T168 M173 G174 R177L167-M171 HydrophobicContact CD2-CE 4.39Å; L167-M171 WeakPolarHBondContact O-CB 3.5Å; L167-M171 PolarHBondContact O-N 3.34Å; T168-M171 PolarHBondContact O-N 3.44Å; M171-M173 PolarHBondContact O-N 2.85Å; M171-G174 PolarHBondContact O-N 2.78Å; M171-R177 HydrophobicContact CE-CB 3.69Å; M171-R177 HydrophobicContact CE-CG 3.64Å
172S87.9Confident86.5Confident105 Ų10582.6 Ų82.673%0.73442%0.423SS*.THydrogen-bonded Turntrans-66.4-12.4173.4-167.60000113.6T168 E169 I170 G174T168-S172 WeakPolarHBondContact O-CB 3.21Å; T168-S172 PolarHBondContact O-N 2.76Å; E169-S172 WeakPolarHBondContact O-CB 3.08Å; E169-S172 PolarHBondContact O-N 3.4Å; I170-S172 VanDerWaalsContact C-N 3.25Å; I170-S172 PolarHBondContact O-N 3.44Å; S172-G174 VanDerWaalsContact C-N 3.31Å
173M83.3Confident87Confident119 Ų11976.4 Ų76.459%0.58640%0.395SS*.THydrogen-bonded Turntrans-88.24.8169.8-56.3178.765.500112.9I170 M171 Y175 V195I170-M173 WeakPolarHBondContact O-CB 3.44Å; I170-M173 PolarHBondContact O-N 2.91Å; M171-M173 PolarHBondContact O-N 2.85Å; M173-Y175 HydrophobicContact CB-CD2 3.88Å; M173-Y175 HydrophobicContact CB-CE2 3.84Å; M173-Y175 HydrophobicContact CE-CE2 4.45Å; M173-V195 HydrophobicContact SD-CG2 4.23Å
174G83.7Confident87.2Confident69 Ų6973.9 Ų73.971%0.71139%0.385SS*.THydrogen-bonded Turntrans92.56.6177.100000115.5M171 S172M171-G174 PolarHBondContact O-N 2.78Å; S172-G174 VanDerWaalsContact C-N 3.31Å
175Y86.5Confident87.2Confident60 Ų6078.2 Ų78.224%0.23540%0.396CS..  trans-84.2135.8178.3-61.5-71.9000112.4I170 M173 V180 L198 L199I170-Y175 HydrophobicContact CG2-CD2 3.83Å; I170-Y175 HydrophobicContact CG2-CG 4.47Å; M173-Y175 HydrophobicContact CB-CD2 3.88Å; M173-Y175 HydrophobicContact CB-CE2 3.84Å; M173-Y175 HydrophobicContact CE-CE2 4.45Å; Y175-V180 VanDerWaalsContact CB-CG2 3.48Å; Y175-L198 HydrophobicContact CD1-CB 4.16Å; Y175-L198 HydrophobicContact CD1-CD1 4.13Å; Y175-L198 HydrophobicContact CD1-CD2 4.19Å; Y175-L198 HydrophobicContact CD1-CG 4.39Å; Y175-L198 HydrophobicContact CD2-CD1 3.97Å; Y175-L198 HydrophobicContact CE1-CB 4.05Å; Y175-L198 HydrophobicContact CE2-CD1 4.46Å; Y175-L198 HydrophobicContact CG-CD1 3.8Å; Y175-L198 HydrophobicContact CG-CD2 4.45Å; Y175-L199 VanDerWaalsContact OH-CD1 3.26Å; Y175-L199 WeakPolarHBondContact OH-CD1 3.26Å
176E88.4Confident87.1Confident147 Ų14776.6 Ų76.669%0.68739%0.39SS*.  trans-59.9140.2177.2-83.9-166.482.700113.4E178 R179 V180E176-E178 VanDerWaalsContact C-N 3.3Å; E176-E178 PolarHBondContact O-N 3.01Å; E176-R179 HydrophobicContact CB-CB 4.42Å; E176-R179 PolarHBondContact O-N 2.98Å; E176-V180 WeakPolarHBondContact O-CG2 3.17Å; E176-V180 PolarHBondContact O-N 3.07Å
177R86.6Confident87Confident161 Ų16174.9 Ų74.961%0.60838%0.382SS*.Hα-helixtrans-50.2-45.8-177.6-170.1177.9-127.1152.64.3113.1L167 M171 V180 V181L167-R177 HydrophobicContact CD2-CG 3.77Å; M171-R177 HydrophobicContact CE-CB 3.69Å; M171-R177 HydrophobicContact CE-CG 3.64Å; R177-V180 PolarHBondContact O-N 3.1Å; R177-V181 HydrophobicContact CG-CG2 4.43Å; R177-V181 WeakPolarHBondContact O-CB 3.24Å; R177-V181 WeakPolarHBondContact O-CG2 3.38Å; R177-V181 PolarHBondContact O-N 3.22Å
178E85.9Confident86.9Confident162 Ų16280.6 Ų80.676%0.75740%0.404SS*.Hα-helixtrans-68.6-39.7-178.6-65.2-15778.900112.5E176 V181 A182E176-E178 VanDerWaalsContact C-N 3.3Å; E176-E178 PolarHBondContact O-N 3.01Å; E178-V181 PolarHBondContact O-N 2.92Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.38Å
179R85.2Confident86.7Confident125 Ų12578.3 Ų78.347%0.47239%0.388SS..Hα-helixtrans-65.9-40.6176.2-146.4-173.8172.6-177.4-4.5110.7E176 A182 A183 L198 I202E176-R179 HydrophobicContact CB-CB 4.42Å; E176-R179 PolarHBondContact O-N 2.98Å; R179-A182 PolarHBondContact O-N 3.09Å; R179-A183 VanDerWaalsContact O-CB 3.24Å; R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 2.8Å; R179-L198 HydrophobicContact CB-CD2 3.79Å; R179-L198 HydrophobicContact CG-CD2 3.48Å; R179-L198 VanDerWaalsContact CG-CD2 3.48Å; R179-L198 PolarHBondContact NH2-O 3.18Å; R179-L198 VanDerWaalsContact NH2-O 3.17Å; R179-I202 HydrophobicContact CG-CD1 4.14Å
180V87.8Confident86.7Confident0 Ų076.3 Ų76.30%038%0.382CS..Hα-helixtrans-63.5-47.3172.6177.70000111.2L167 I170 Y175 E176 R177 A182 A183 L184 L198L167-V180 HydrophobicContact CD1-CG1 4.16Å; L167-V180 HydrophobicContact CG-CG1 3.99Å; I170-V180 HydrophobicContact CB-CG1 3.81Å; I170-V180 HydrophobicContact CB-CG2 4.19Å; I170-V180 HydrophobicContact CD1-CG1 3.97Å; I170-V180 HydrophobicContact CG2-CB 4.44Å; I170-V180 HydrophobicContact CG2-CG1 3.95Å; I170-V180 HydrophobicContact CG2-CG2 3.64Å; Y175-V180 VanDerWaalsContact CB-CG2 3.48Å; E176-V180 WeakPolarHBondContact O-CG2 3.17Å; E176-V180 PolarHBondContact O-N 3.07Å; R177-V180 PolarHBondContact O-N 3.1Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.24Å; V180-A183 PolarHBondContact O-N 2.98Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 PolarHBondContact O-N 2.81Å; V180-L198 HydrophobicContact CG2-CD1 4.17Å
181V88.8Confident86.7Confident52 Ų5278.1 Ų78.132%0.31539%0.394SS..Hα-helixtrans-56.1-47176.4162.70000111.1Y163 L167 R177 E178 R185Y163-V181 WeakPolarHBondContact OH-CG1 3.35Å; L167-V181 HydrophobicContact CD1-CG2 3.82Å; L167-V181 HydrophobicContact CD2-CG2 3.88Å; L167-V181 HydrophobicContact CG-CG2 4.3Å; R177-V181 HydrophobicContact CG-CG2 4.43Å; R177-V181 WeakPolarHBondContact O-CB 3.24Å; R177-V181 WeakPolarHBondContact O-CG2 3.38Å; R177-V181 PolarHBondContact O-N 3.22Å; E178-V181 PolarHBondContact O-N 2.92Å; V181-R185 VanDerWaalsContact O-CB 3.25Å; V181-R185 WeakPolarHBondContact O-CB 3.37Å; V181-R185 PolarHBondContact O-N 3.44Å
182A87.4Confident86.6Confident35 Ų3583.1 Ų83.129%0.28942%0.416SS..Hα-helixtrans-66-44.4178.500000112.1E178 R179 V180 R185 A186 I202E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 3.38Å; R179-A182 PolarHBondContact O-N 3.09Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.24Å; A182-R185 PolarHBondContact O-N 3.43Å; A182-A186 WeakPolarHBondContact O-CB 3.24Å; A182-A186 PolarHBondContact O-N 2.97Å; A182-I202 HydrophobicContact CB-CD1 3.74Å
183A87.9Confident86.6Confident0 Ų084.8 Ų84.80%041%0.406CS..Hα-helixtrans-68.8-36.8178.500000112.5R179 V180 R185 A186 S187 A194 L198 I202R179-A183 VanDerWaalsContact O-CB 3.24Å; R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 2.8Å; V180-A183 PolarHBondContact O-N 2.98Å; A183-R185 VanDerWaalsContact C-N 3.35Å; A183-A186 PolarHBondContact O-N 2.87Å; A183-S187 WeakPolarHBondContact O-CB 3.48Å; A183-S187 PolarHBondContact O-N 2.86Å; A183-S187 PolarHBondContact O-OG 3.47Å; A183-A194 HydrophobicContact CB-CB 4.08Å; A183-A194 WeakPolarHBondContact CB-O 3.15Å; A183-L198 HydrophobicContact CB-CD1 4.26Å; A183-L198 HydrophobicContact CB-CD2 4.11Å; A183-L198 HydrophobicContact CB-CG 3.76Å; A183-I202 HydrophobicContact CB-CD1 3.84Å; A183-I202 HydrophobicContact CB-CG1 4.06Å
184L88.4Confident86.8Confident0 Ų079.1 Ų79.10%038%0.379CS..Hα-helixtrans-70.5-34.3176.5-15862.1000110.7Y163 M166 L167 I170 V180 S187 Y188 N189 A194Y163-L184 HydrophobicContact CD2-CD2 3.77Å; Y163-L184 HydrophobicContact CD2-CG 4.4Å; Y163-L184 HydrophobicContact CE2-CB 4.3Å; Y163-L184 HydrophobicContact CE2-CD2 3.63Å; Y163-L184 HydrophobicContact CE2-CG 4.04Å; M166-L184 HydrophobicContact CB-CD1 4.49Å; M166-L184 HydrophobicContact CB-CD2 3.87Å; L167-L184 HydrophobicContact CD1-CD2 3.82Å; I170-L184 HydrophobicContact CD1-CD1 4.01Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 PolarHBondContact O-N 2.81Å; L184-S187 VanDerWaalsContact CA-OG 3.3Å; L184-S187 WeakPolarHBondContact CA-OG 3.43Å; L184-S187 PolarHBondContact O-OG 3.15Å; L184-Y188 PolarHBondContact O-N 2.87Å; L184-N189 WeakPolarHBondContact O-CA 3.49Å; L184-N189 PolarHBondContact O-N 2.89Å; L184-A194 HydrophobicContact CB-CB 4.33Å; L184-A194 HydrophobicContact CD1-CB 3.8Å
185R85.7Confident86.9Confident207 Ų20777.3 Ų77.378%0.78135%0.354SS*.Hα-helixtrans-68.7-44.3170.7-170.4178.8-176.2-163.90.3112.6V181 A182 A183 Y188V181-R185 VanDerWaalsContact O-CB 3.25Å; V181-R185 WeakPolarHBondContact O-CB 3.37Å; V181-R185 PolarHBondContact O-N 3.44Å; A182-R185 PolarHBondContact O-N 3.43Å; A183-R185 VanDerWaalsContact C-N 3.35Å; R185-Y188 PolarHBondContact O-N 3.37Å
186A85.5Confident86.8Confident42 Ų4279.5 Ų79.535%0.34737%0.366SS..Hα-helixtrans-69.1-32.8177.900000113.1A182 A183 Y188 Y197 I202A182-A186 WeakPolarHBondContact O-CB 3.24Å; A182-A186 PolarHBondContact O-N 2.97Å; A183-A186 PolarHBondContact O-N 2.87Å; A186-Y188 VanDerWaalsContact C-N 3.27Å; A186-Y188 PolarHBondContact O-N 2.99Å; A186-Y197 HydrophobicContact CB-CD2 4.35Å; A186-I202 HydrophobicContact CB-CG2 3.7Å
187S86.1Confident86.7Confident4 Ų475.1 Ų75.13%0.02834%0.343CS..THydrogen-bonded Turntrans-82.86.5174.361.40000115A183 L184 N189 N190 R193 A194A183-S187 WeakPolarHBondContact O-CB 3.48Å; A183-S187 PolarHBondContact O-N 2.86Å; A183-S187 PolarHBondContact O-OG 3.47Å; L184-S187 VanDerWaalsContact CA-OG 3.3Å; L184-S187 WeakPolarHBondContact CA-OG 3.43Å; L184-S187 PolarHBondContact O-OG 3.15Å; S187-N189 VanDerWaalsContact C-N 3.32Å; S187-N189 PolarHBondContact O-N 3.13Å; S187-N190 WeakPolarHBondContact O-CB 3.36Å; S187-N190 PolarHBondContact O-N 3.18Å; S187-N190 PolarHBondContact O-ND2 3.19Å; S187-N190 PolarHBondContact OG-O 3.03Å; S187-R193 VanDerWaalsContact CB-CB 3.47Å; S187-A194 PolarHBondContact OG-N 3.17Å
188Y86.2Confident86.6Confident131 Ų13167.7 Ų67.751%0.51432%0.316SS..THydrogen-bonded Turntrans57.944.9179.6-158-97.7000112.2S155 L184 R185 A186 N190S155-Y188 WeakPolarHBondContact CB-OH 3.45Å; S155-Y188 WeakPolarHBondContact OG-CE1 3.31Å; S155-Y188 WeakPolarHBondContact OG-CE2 3.27Å; S155-Y188 PolarHBondContact OG-OH 3.16Å; L184-Y188 PolarHBondContact O-N 2.87Å; R185-Y188 PolarHBondContact O-N 3.37Å; A186-Y188 VanDerWaalsContact C-N 3.27Å; A186-Y188 PolarHBondContact O-N 2.99Å; Y188-N190 PolarHBondContact O-ND2 2.94Å
189N85.3Confident86.4Confident36 Ų3665.7 Ų65.719%0.19331%0.31CS..SBendtrans61.940-178.3-49.5-72.5000114.8Y163 L184 S187Y163-N189 WeakPolarHBondContact CD2-OD1 3.5Å; Y163-N189 WeakPolarHBondContact CE2-OD1 3.32Å; L184-N189 WeakPolarHBondContact O-CA 3.49Å; L184-N189 PolarHBondContact O-N 2.89Å; S187-N189 VanDerWaalsContact C-N 3.32Å; S187-N189 PolarHBondContact O-N 3.13Å
190N89.4Confident86.2Confident79 Ų7965.2 Ų65.242%0.42232%0.321SS..  trans-113.4112.4176.8-72.8-89000111.1S187 Y188 H192 R193 A194S187-N190 WeakPolarHBondContact O-CB 3.36Å; S187-N190 PolarHBondContact O-N 3.18Å; S187-N190 PolarHBondContact O-ND2 3.19Å; S187-N190 PolarHBondContact OG-O 3.03Å; Y188-N190 PolarHBondContact O-ND2 2.94Å; N190-H192 PolarHBondContact O-N 2.96Å; N190-R193 HydrophobicContact CB-CB 4.18Å; N190-R193 PolarHBondContact O-N 3.39Å; N190-A194 PolarHBondContact O-N 3.04Å
191P85.4Confident85.4Confident43 Ų4366.1 Ų66.128%0.27933%0.33SS..Hα-helixtrans-63.5-38-171.322.6-33000113.7I170 R193 A194 V195I170-P191 HydrophobicContact CD1-CB 3.99Å; I170-P191 HydrophobicContact CG1-CB 4.32Å; P191-R193 PolarHBondContact O-N 3.15Å; P191-A194 WeakPolarHBondContact O-CB 3.3Å; P191-A194 PolarHBondContact O-N 3.4Å; P191-V195 WeakPolarHBondContact O-CG2 3.28Å; P191-V195 PolarHBondContact O-N 2.79Å
192H87Confident84.8Confident169 Ų16964.4 Ų64.478%0.78232%0.319SS*.Hα-helixtrans-64.2-40.1177.5-75.866.9000112.3N190 E196N190-H192 PolarHBondContact O-N 2.96Å; H192-E196 PolarHBondContact O-N 3.06Å
193R87.4Confident83.3Confident140 Ų14067 Ų6753%0.52833%0.333SS..Hα-helixtrans-76-29.2174.9-85.1-169.5171.6-171.1-0.9112.8S187 N190 P191 V195 E196 Y197S187-R193 VanDerWaalsContact CB-CB 3.47Å; N190-R193 HydrophobicContact CB-CB 4.18Å; N190-R193 PolarHBondContact O-N 3.39Å; P191-R193 PolarHBondContact O-N 3.15Å; R193-V195 VanDerWaalsContact C-N 3.35Å; R193-E196 WeakPolarHBondContact O-CB 3.26Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-Y197 HydrophobicContact CB-CE2 4.41Å; R193-Y197 WeakPolarHBondContact O-CD2 3.38Å; R193-Y197 PolarHBondContact O-N 2.9Å
194A87.9Confident81.8Confident0 Ų070.9 Ų70.90%037%0.373CS..Hα-helixtrans-61.2-46.217100000110.4I170 A183 L184 S187 N190 P191 E196 Y197 L198I170-A194 HydrophobicContact CD1-CB 3.85Å; A183-A194 HydrophobicContact CB-CB 4.08Å; A183-A194 WeakPolarHBondContact CB-O 3.15Å; L184-A194 HydrophobicContact CB-CB 4.33Å; L184-A194 HydrophobicContact CD1-CB 3.8Å; S187-A194 PolarHBondContact OG-N 3.17Å; N190-A194 PolarHBondContact O-N 3.04Å; P191-A194 WeakPolarHBondContact O-CB 3.3Å; P191-A194 PolarHBondContact O-N 3.4Å; A194-E196 PolarHBondContact O-N 3.43Å; A194-Y197 PolarHBondContact O-N 2.89Å; A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 WeakPolarHBondContact O-CD1 3.14Å; A194-L198 WeakPolarHBondContact O-CG 3.45Å; A194-L198 PolarHBondContact O-N 3.11Å
195V86.3Confident79.9Confident31 Ų3173.5 Ų73.519%0.18839%0.391CS..Hα-helixtrans-60.9-43172.3176.10000111.3I170 M173 P191 R193 Y197 L198 L199I170-V195 HydrophobicContact CG1-CG2 4.45Å; I170-V195 HydrophobicContact CG2-CG2 4.11Å; M173-V195 HydrophobicContact SD-CG2 4.23Å; P191-V195 WeakPolarHBondContact O-CG2 3.28Å; P191-V195 PolarHBondContact O-N 2.79Å; R193-V195 VanDerWaalsContact C-N 3.35Å; V195-Y197 PolarHBondContact O-N 3.23Å; V195-L198 WeakPolarHBondContact O-CB 3.36Å; V195-L198 PolarHBondContact O-N 2.84Å; V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 VanDerWaalsContact O-CD1 3.28Å; V195-L199 WeakPolarHBondContact O-CD1 3.42Å; V195-L199 PolarHBondContact O-N 2.82Å
196E84.3Confident77.8Confident106 Ų10669.5 Ų69.550%0.49539%0.392SS..Hα-helixtrans-57.8-43175.4-167.7173.180.700113H192 R193 A194 L199 T200H192-E196 PolarHBondContact O-N 3.06Å; R193-E196 WeakPolarHBondContact O-CB 3.26Å; R193-E196 PolarHBondContact O-N 3.38Å; A194-E196 PolarHBondContact O-N 3.43Å; E196-L199 PolarHBondContact O-N 2.96Å; E196-T200 WeakPolarHBondContact O-CB 3.01Å; E196-T200 PolarHBondContact O-N 3.18Å; E196-T200 PolarHBondContact O-OG1 3.24Å
197Y86.1Confident75.7Confident54 Ų5473.9 Ų73.921%0.21241%0.405CS..Hα-helixtrans-73.1-24.9173.2-68.3-56.1000113.8A186 R193 A194 V195 L199 G201 I202 P203A186-Y197 HydrophobicContact CB-CD2 4.35Å; R193-Y197 HydrophobicContact CB-CE2 4.41Å; R193-Y197 WeakPolarHBondContact O-CD2 3.38Å; R193-Y197 PolarHBondContact O-N 2.9Å; A194-Y197 PolarHBondContact O-N 2.89Å; V195-Y197 PolarHBondContact O-N 3.23Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-G201 WeakPolarHBondContact CD1-O 3.46Å; Y197-G201 CarbonylContact O-C 3.44Å; Y197-G201 VanDerWaalsContact O-CA 3.26Å; Y197-G201 WeakPolarHBondContact O-CA 3.43Å; Y197-G201 PolarHBondContact O-N 3.49Å; Y197-I202 PolarHBondContact O-N 3.05Å; Y197-P203 VanDerWaalsContact CD1-CD 3.47Å; Y197-P203 HydrophobicContact CD1-CG 4.26Å; Y197-P203 HydrophobicContact CE1-CG 3.9Å
198L84.6Confident73.5Confident5 Ų579.3 Ų79.33%0.02644%0.441CS..Hα-helixtrans-70.1-33171.3-72.3162.2000111.7I170 Y175 R179 V180 A183 A194 V195I170-L198 HydrophobicContact CG2-CD1 3.66Å; Y175-L198 HydrophobicContact CD1-CB 4.16Å; Y175-L198 HydrophobicContact CD1-CD1 4.13Å; Y175-L198 HydrophobicContact CD1-CD2 4.19Å; Y175-L198 HydrophobicContact CD1-CG 4.39Å; Y175-L198 HydrophobicContact CD2-CD1 3.97Å; Y175-L198 HydrophobicContact CE1-CB 4.05Å; Y175-L198 HydrophobicContact CE2-CD1 4.46Å; Y175-L198 HydrophobicContact CG-CD1 3.8Å; Y175-L198 HydrophobicContact CG-CD2 4.45Å; R179-L198 HydrophobicContact CB-CD2 3.79Å; R179-L198 HydrophobicContact CG-CD2 3.48Å; R179-L198 VanDerWaalsContact CG-CD2 3.48Å; R179-L198 PolarHBondContact NH2-O 3.18Å; R179-L198 VanDerWaalsContact NH2-O 3.17Å; V180-L198 HydrophobicContact CG2-CD1 4.17Å; A183-L198 HydrophobicContact CB-CD1 4.26Å; A183-L198 HydrophobicContact CB-CD2 4.11Å; A183-L198 HydrophobicContact CB-CG 3.76Å; A194-L198 WeakPolarHBondContact O-CB 3.33Å; A194-L198 WeakPolarHBondContact O-CD1 3.14Å; A194-L198 WeakPolarHBondContact O-CG 3.45Å; A194-L198 PolarHBondContact O-N 3.11Å; V195-L198 WeakPolarHBondContact O-CB 3.36Å; V195-L198 PolarHBondContact O-N 2.84Å
199L80.8Confident71.3Confident121 Ų12181.6 Ų81.663%0.63446%0.456SS*.Hα-helixtrans-82.5-39.1174.9-89.369.7000113.3Y175 V195 E196 Y197Y175-L199 VanDerWaalsContact OH-CD1 3.26Å; Y175-L199 WeakPolarHBondContact OH-CD1 3.26Å; V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 VanDerWaalsContact O-CD1 3.28Å; V195-L199 WeakPolarHBondContact O-CD1 3.42Å; V195-L199 PolarHBondContact O-N 2.82Å; E196-L199 PolarHBondContact O-N 2.96Å; Y197-L199 VanDerWaalsContact C-N 3.34Å
200T81.6Confident69Low114 Ų11489 Ų8970%0.69949%0.489SS*.Hα-helixtrans-99.5-10.2-169.3-49.80000113.2E196E196-T200 WeakPolarHBondContact O-CB 3.01Å; E196-T200 PolarHBondContact O-N 3.18Å; E196-T200 PolarHBondContact O-OG1 3.24Å
201G71.8Confident66.3Low19 Ų1988.2 Ų88.220%0.19650%0.5CS..  trans98.2142.1-172.300000112Y197 P203Y197-G201 WeakPolarHBondContact CD1-O 3.46Å; Y197-G201 CarbonylContact O-C 3.44Å; Y197-G201 VanDerWaalsContact O-CA 3.26Å; Y197-G201 WeakPolarHBondContact O-CA 3.43Å; Y197-G201 PolarHBondContact O-N 3.49Å; G201-P203 WeakPolarHBondContact O-CD 3.4Å
202I75.5Confident63.8Low16 Ų1692 Ų928%0.08253%0.527CS..  trans-89.8115.7179.7-56.8167.7000108R179 A182 A183 A186 Y197 G204 S205R179-I202 HydrophobicContact CG-CD1 4.14Å; A182-I202 HydrophobicContact CB-CD1 3.74Å; A183-I202 HydrophobicContact CB-CD1 3.84Å; A183-I202 HydrophobicContact CB-CG1 4.06Å; A186-I202 HydrophobicContact CB-CG2 3.7Å; Y197-I202 PolarHBondContact O-N 3.05Å; I202-G204 PolarHBondContact O-N 3.08Å; I202-G204 VanDerWaalsContact O-N 3.09Å; I202-S205 PolarHBondContact O-N 3.16Å; I202-S205 VanDerWaalsContact O-N 3.16Å
203P55.3Low61.5Low90 Ų9091.1 Ų91.158%0.58453%0.533SS*.THydrogen-bonded Turntrans-63.7116.1-178.325.6-33.9000110.7Y197 G201Y197-P203 VanDerWaalsContact CD1-CD 3.47Å; Y197-P203 HydrophobicContact CD1-CG 4.26Å; Y197-P203 HydrophobicContact CE1-CG 3.9Å; G201-P203 WeakPolarHBondContact O-CD 3.4Å
204G58.2Low59.1Low82 Ų8292.7 Ų92.785%0.84555%0.547SS*.THydrogen-bonded Turntrans103.9-2.5179.300000115.6I202I202-G204 PolarHBondContact O-N 3.08Å; I202-G204 VanDerWaalsContact O-N 3.09Å
205S46.6Very low56.4Low54 Ų54100.8 Ų100.838%0.37859%0.585SS.*SBendtrans-74.7139.4162.1-72.50000109.9I202 E207I202-S205 PolarHBondContact O-N 3.16Å; I202-S205 VanDerWaalsContact O-N 3.16Å; S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.08Å
206P43.3Very low54.2Low123 Ų123104.9 Ų104.980%0.79961%0.614SS**  trans-68106.1165.328.5-31.5000108.3P208P206-P208 VanDerWaalsContact O-CD 3.28Å; P206-P208 WeakPolarHBondContact O-CD 3.23Å
207E40.7Very low51.6Low134 Ų134108.7 Ų108.763%0.62663%0.632SS**  trans-62.2123.6174.2-108.2149.463.200110.3S205 E209S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.08Å; E207-E209 PolarHBondContact O-N 2.71Å
208P39.6Very low49.2Very low119 Ų119111.7 Ų111.777%0.77366%0.656SS**  trans-67.1113.9138.930.2-27.1000106P206 H210P206-P208 VanDerWaalsContact O-CD 3.28Å; P206-P208 WeakPolarHBondContact O-CD 3.23Å; P208-H210 PolarHBondContact O-N 3.06Å
209E40Very low46.9Very low178 Ų178117.1 Ų117.183%0.83269%0.692SS**  trans-59.3112.2-176.5-62.6-160.8130.700110.5E207E207-E209 PolarHBondContact O-N 2.71Å
210H37.4Very low44.9Very low191 Ų191119.7 Ų119.788%0.88470%0.7SS**  trans-110.495.7167.8-139.4-92.7000108P208P208-H210 PolarHBondContact O-N 3.06Å
211G33.3Very low42.5Very low63 Ų63122.2 Ų122.265%0.64970%0.704SS**  trans-69.4171.8-170.400000114.8
212S32.5Very low40.5Very low122 Ų122126.1 Ų126.185%0.85373%0.726SS**  trans-12.3122.2166.4-53.50000117.4Q214S212-Q214 PolarHBondContact O-N 2.88Å; S212-Q214 VanDerWaalsContact O-N 3.08Å
213V38.7Very low38.4Very low151 Ų151130.2 Ų130.292%0.91576%0.762SS**SBendtrans-7191.6157.7-79.30000110.9
214Q36.2Very low37.2Very low173 Ų173131.3 Ų131.381%0.80877%0.767SS**  trans-169.3141.3139-159.8151.628.500112.1S212S212-Q214 PolarHBondContact O-N 2.88Å; S212-Q214 VanDerWaalsContact O-N 3.08Å
215E31.1Very low36.2Very low171 Ų171136.2 Ų136.280%0.79977%0.768SS**SBendtrans83.4111.5161.1-142.9152.9104.700118.8Q217E215-Q217 PolarHBondContact O-N 3.47Å
216S40.9Very low35.5Very low116 Ų116137.8 Ų137.881%0.81178%0.784SS**  trans17.483.4151.6-55.30000119.4
217Q29.1Very low35.4Very low186 Ų186136.1 Ų136.187%0.86978%0.781SS**  trans-150.8104.3145.3-112.2154.331.400110.3E215E215-Q217 PolarHBondContact O-N 3.47Å
218V36.4Very low35.3Very low117 Ų117132.4 Ų132.471%0.70978%0.778SS**  trans-52.8142.7159.2-810000108.9E220V218-E220 PolarHBondContact O-N 2.93Å
219P35.9Very low35.5Very low120 Ų120135 Ų13578%0.77978%0.78SS**  trans-67.288.8160.527.7-28.8000107.2Q221P219-Q221 PolarHBondContact O-N 3.3Å
220E37.9Very low36.4Very low174 Ų174130.3 Ų130.381%0.81376%0.761SS**  trans-63.780.6159.3-170.7161.28400106.4V218 P222V218-E220 PolarHBondContact O-N 2.93Å; E220-P222 WeakPolarHBondContact O-CD 3.35Å
221Q31.7Very low37.5Very low168 Ų168123 Ų12379%0.78573%0.73SS**  trans-51.7124.8157.8-66.5-166.7-76.700104.9P219 A223P219-Q221 PolarHBondContact O-N 3.3Å; Q221-A223 PolarHBondContact O-N 3.3Å
222P30.7Very low39.1Very low101 Ų101120.1 Ų120.166%0.65670%0.7SS**  trans-56.7119.5169.724.4-31.9000105.9E220 V224E220-P222 WeakPolarHBondContact O-CD 3.35Å; P222-V224 HydrophobicContact CB-CG1 4.47Å; P222-V224 PolarHBondContact O-N 3.32Å
223A31.6Very low41.1Very low101 Ų101119.7 Ų119.784%0.83568%0.684SS**  trans-69.362.1167.500000108.5Q221 E225Q221-A223 PolarHBondContact O-N 3.3Å; A223-E225 PolarHBondContact O-N 3.2Å
224V30.5Very low42.9Very low114 Ų114117.9 Ų117.969%0.69167%0.665SS**  trans-64.5121.4156.4-75.20000105.8P222 A226P222-V224 HydrophobicContact CB-CG1 4.47Å; P222-V224 PolarHBondContact O-N 3.32Å; V224-A226 PolarHBondContact O-N 2.93Å
225E35.2Very low44.7Very low185 Ų185109.8 Ų109.886%0.86463%0.627SS**  trans-50.4100.2173.8-6815771.800109.9A223 A227A223-E225 PolarHBondContact O-N 3.2Å; E225-A227 HydrophobicContact CB-CB 4.2Å
226A33.3Very low46.9Very low86 Ų86105.9 Ų105.971%0.71161%0.605SS**  trans-132.292.9161.900000106.3V224V224-A226 PolarHBondContact O-N 2.93Å
227A40.2Very low48.6Very low88 Ų88107.5 Ų107.573%0.72760%0.604SS**  cis53.3-0.216.100000115.1E225 E229E225-A227 HydrophobicContact CB-CB 4.2Å; A227-E229 VanDerWaalsContact C-N 3.28Å; A227-E229 PolarHBondContact O-N 3.36Å
228G39.3Very low51.1Low56 Ų56101.2 Ų101.258%0.57758%0.575SS**  trans-77.592.614900000105.1N230G228-N230 PolarHBondContact O-N 2.8Å
229E42.9Very low53.1Low175 Ų175100.7 Ų100.782%0.81857%0.574SS**  trans-37.2112.6168.6-67156.255.600108.7A227 P231A227-E229 VanDerWaalsContact C-N 3.28Å; A227-E229 PolarHBondContact O-N 3.36Å; E229-P231 WeakPolarHBondContact O-CD 3.43Å
230N58.7Low55.1Low79 Ų7999.2 Ų99.242%0.42256%0.556SS.*  trans-58.8106.7172.5-96.4-54.9000105.9G228 L232 E233G228-N230 PolarHBondContact O-N 2.8Å; N230-L232 PolarHBondContact O-N 3.17Å; N230-E233 HydrophobicContact CB-CB 3.65Å; N230-E233 HydrophobicContact CB-CG 4.29Å; N230-E233 WeakPolarHBondContact CB-OE2 3.41Å; N230-E233 PolarHBondContact ND2-OE2 3.11Å; N230-E233 WeakPolarHBondContact O-CB 3.29Å; N230-E233 PolarHBondContact O-N 3.37Å
231P62.5Low57Low38 Ų3891 Ų9125%0.24752%0.518CS..THydrogen-bonded Turntrans-77.65.1-164.828.7-27.3000111.7E229 F234 Q272E229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-F234 WeakPolarHBondContact O-CD1 3.47Å; P231-F234 VanDerWaalsContact O-CE1 3.23Å; P231-F234 WeakPolarHBondContact O-CE1 3.37Å; P231-Q272 HydrophobicContact CB-CG 4.19Å; P231-Q272 HydrophobicContact CG-CG 4.43Å
232L66.4Low59.4Low2 Ų287.6 Ų87.61%0.0150%0.502CS..THydrogen-bonded Turntrans-123.98.2173.3-69.683.6000112.1N230 F234 L235 R236 Q272 I273 H276 F280 M283N230-L232 PolarHBondContact O-N 3.17Å; L232-F234 VanDerWaalsContact C-N 3.32Å; L232-F234 PolarHBondContact O-N 2.89Å; L232-L235 HydrophobicContact CB-CB 4.27Å; L232-L235 HydrophobicContact CD2-CD2 4.25Å; L232-L235 WeakPolarHBondContact O-CA 3.3Å; L232-L235 WeakPolarHBondContact O-CB 3.45Å; L232-L235 PolarHBondContact O-N 3.31Å; L232-R236 PolarHBondContact O-N 3.4Å; L232-Q272 HydrophobicContact CD1-CB 4.38Å; L232-Q272 HydrophobicContact CD1-CG 3.61Å; L232-Q272 HydrophobicContact CG-CG 4.41Å; L232-I273 HydrophobicContact CD2-CG1 3.68Å; L232-H276 HydrophobicContact CD1-CB 3.63Å; L232-F280 HydrophobicContact CD2-CB 4.03Å; L232-F280 HydrophobicContact CD2-CD2 3.88Å; L232-F280 HydrophobicContact CD2-CG 4.43Å; L232-M283 HydrophobicContact CB-CE 3.72Å
233E73.8Confident61.8Low112 Ų11287.7 Ų87.752%0.52350%0.497SS..Hα-helixtrans-65.6-38.5176.2-154.5166.394.700111.5N230 L235 R236N230-E233 HydrophobicContact CB-CB 3.65Å; N230-E233 HydrophobicContact CB-CG 4.29Å; N230-E233 WeakPolarHBondContact CB-OE2 3.41Å; N230-E233 PolarHBondContact ND2-OE2 3.11Å; N230-E233 WeakPolarHBondContact O-CB 3.29Å; N230-E233 PolarHBondContact O-N 3.37Å; E233-L235 PolarHBondContact O-N 2.89Å; E233-L235 VanDerWaalsContact O-N 3.1Å; E233-R236 VanDerWaalsContact O-CB 3.27Å; E233-R236 WeakPolarHBondContact O-CB 3.28Å; E233-R236 PolarHBondContact O-N 3.05Å
234F76.9Confident63.8Low114 Ų11483.3 Ų83.350%0.546%0.46SS..Hα-helixtrans-56.5-25.2169.588.9-91.8000112.2P231 L232 L269P231-F234 WeakPolarHBondContact O-CD1 3.47Å; P231-F234 VanDerWaalsContact O-CE1 3.23Å; P231-F234 WeakPolarHBondContact O-CE1 3.37Å; L232-F234 VanDerWaalsContact C-N 3.32Å; L232-F234 PolarHBondContact O-N 2.89Å; F234-L269 HydrophobicContact CZ-CD1 4.17Å
235L73.3Confident66.1Low3 Ų378.4 Ų78.42%0.01643%0.429CS..Hα-helixtrans-75-36.9176.3-143.170.6000110.3L232 E233 D237 Q238 F241 L269 I273 F280L232-L235 HydrophobicContact CB-CB 4.27Å; L232-L235 HydrophobicContact CD2-CD2 4.25Å; L232-L235 WeakPolarHBondContact O-CA 3.3Å; L232-L235 WeakPolarHBondContact O-CB 3.45Å; L232-L235 PolarHBondContact O-N 3.31Å; E233-L235 PolarHBondContact O-N 2.89Å; E233-L235 VanDerWaalsContact O-N 3.1Å; L235-D237 PolarHBondContact O-N 2.96Å; L235-Q238 VanDerWaalsContact O-CB 3.28Å; L235-Q238 WeakPolarHBondContact O-CB 3.42Å; L235-Q238 PolarHBondContact O-N 3.3Å; L235-F241 HydrophobicContact CB-CD2 4.29Å; L235-F241 HydrophobicContact CD2-CD2 3.71Å; L235-F241 HydrophobicContact CD2-CE2 4.26Å; L235-F241 HydrophobicContact CG-CB 4.23Å; L235-F241 HydrophobicContact CG-CD2 3.93Å; L235-F241 HydrophobicContact CG-CG 4.37Å; L235-F241 WeakPolarHBondContact O-CB 3.47Å; L235-F241 WeakPolarHBondContact O-CG 3.45Å; L235-L269 HydrophobicContact CD1-CD1 3.69Å; L235-L269 HydrophobicContact CD1-CD2 3.65Å; L235-L269 HydrophobicContact CD1-CG 4.32Å; L235-L269 HydrophobicContact CD2-CD1 3.93Å; L235-L269 HydrophobicContact CG-CD1 4.46Å; L235-I273 HydrophobicContact CD2-CD1 4.32Å; L235-F280 HydrophobicContact CD2-CD2 4.16Å; L235-F280 HydrophobicContact CD2-CE2 3.93Å
236R77.4Confident68.3Low89 Ų8975.1 Ų75.134%0.33641%0.413SS..Hα-helixtrans-57.6-36.2179.2-152.6-175.784.4134.5-2.3112.9L232 E233 F241 M283 E286L232-R236 PolarHBondContact O-N 3.4Å; E233-R236 VanDerWaalsContact O-CB 3.27Å; E233-R236 WeakPolarHBondContact O-CB 3.28Å; E233-R236 PolarHBondContact O-N 3.05Å; R236-F241 HydrophobicContact CG-CD1 4.42Å; R236-F241 HydrophobicContact CG-CE1 4.21Å; R236-M283 HydrophobicContact CB-SD 4.19Å; R236-M283 HydrophobicContact CG-SD 4.24Å; R236-E286 IonicContact CZ-OE1 2.73Å; R236-E286 IonicContact NH1-OE1 3.86Å; R236-E286 PolarHBondContact NH1-OE1 3.02Å; R236-E286 IonicContact NH1-OE2 2.68Å
237D76.1Confident70.5Confident149 Ų14972.8 Ų72.880%0.79739%0.39SS*.THydrogen-bonded Turntrans-79.2-18.6175.6-162.4-111.1000113.1L235L235-D237 PolarHBondContact O-N 2.96Å
238Q82.4Confident72.3Confident55 Ų5569.1 Ų69.126%0.25736%0.358SS..SBendtrans-77.5132.5-174.6-161.217290.400111.6L235 Q240 F241 Q242L235-Q238 VanDerWaalsContact O-CB 3.28Å; L235-Q238 WeakPolarHBondContact O-CB 3.42Å; L235-Q238 PolarHBondContact O-N 3.3Å; Q238-Q240 PolarHBondContact O-N 3.3Å; Q238-F241 WeakPolarHBondContact O-CB 3.46Å; Q238-F241 PolarHBondContact O-N 3.11Å; Q238-Q242 PolarHBondContact O-N 3.44Å
239P78.8Confident74.3Confident106 Ų10672.5 Ų72.569%0.68836%0.359SS*.Hα-helixtrans-62.2-22.6-176.522.9-34.5000113.9N243P239-N243 WeakPolarHBondContact O-CB 3.41Å; P239-N243 PolarHBondContact O-N 3.47Å
240Q77.3Confident76.2Confident88 Ų8870.4 Ų70.441%0.41135%0.349SS..Hα-helixtrans-65.3-37.7172.5-65.8-167.7-32.300112.2Q238 N243 M244Q238-Q240 PolarHBondContact O-N 3.3Å; Q240-N243 PolarHBondContact O-N 2.83Å; Q240-M244 WeakPolarHBondContact O-CG 3.42Å; Q240-M244 PolarHBondContact O-N 3.24Å
241F78.7Confident77.1Confident3 Ų370 Ų701%0.01335%0.347CS..Hα-helixtrans-75.2-37.9177.1-168.9-96.6000112.1L235 R236 Q238 N243 M244 R245 F280 M283 L284L235-F241 HydrophobicContact CB-CD2 4.29Å; L235-F241 HydrophobicContact CD2-CD2 3.71Å; L235-F241 HydrophobicContact CD2-CE2 4.26Å; L235-F241 HydrophobicContact CG-CB 4.23Å; L235-F241 HydrophobicContact CG-CD2 3.93Å; L235-F241 HydrophobicContact CG-CG 4.37Å; L235-F241 WeakPolarHBondContact O-CB 3.47Å; L235-F241 WeakPolarHBondContact O-CG 3.45Å; R236-F241 HydrophobicContact CG-CD1 4.42Å; R236-F241 HydrophobicContact CG-CE1 4.21Å; Q238-F241 WeakPolarHBondContact O-CB 3.46Å; Q238-F241 PolarHBondContact O-N 3.11Å; F241-N243 PolarHBondContact O-N 3.19Å; F241-M244 WeakPolarHBondContact O-CB 3.5Å; F241-M244 PolarHBondContact O-N 2.99Å; F241-R245 WeakPolarHBondContact O-CB 3.44Å; F241-R245 PolarHBondContact O-N 3.21Å; F241-F280 HydrophobicContact CD2-CD2 4.36Å; F241-F280 AromaticContact CD2-CE2 3.84Å; F241-F280 HydrophobicContact CD2-CE2 3.84Å; F241-F280 AromaticContact CE2-CD2 3.69Å; F241-F280 HydrophobicContact CE2-CD2 3.69Å; F241-F280 AromaticContact CE2-CE2 3.52Å; F241-F280 HydrophobicContact CE2-CE2 3.52Å; F241-F280 HydrophobicContact CE2-CZ 4.27Å; F241-M283 HydrophobicContact CE1-CB 4.03Å; F241-M283 HydrophobicContact CZ-CB 3.56Å; F241-L284 HydrophobicContact CD2-CD1 4.16Å; F241-L284 HydrophobicContact CE1-CD1 4.13Å; F241-L284 HydrophobicContact CE2-CD1 3.54Å; F241-L284 HydrophobicContact CZ-CD1 3.5Å
242Q81.9Confident78Confident95 Ų9572.8 Ų72.844%0.44437%0.365SS..Hα-helixtrans-61.9-37.3173.3-146.687.7108.300111.3Q238 Q246Q238-Q242 PolarHBondContact O-N 3.44Å; Q242-Q246 WeakPolarHBondContact O-CB 3.41Å; Q242-Q246 PolarHBondContact O-N 3.48Å; Q242-Q246 VanDerWaalsContact O-N 3.11Å
243N80.7Confident78.8Confident104 Ų10476.1 Ų76.156%0.55639%0.393SS*.Hα-helixtrans-66.7-45.6171.9-148.8-81.7000111.8P239 Q240 F241 R245 Q246 V247P239-N243 WeakPolarHBondContact O-CB 3.41Å; P239-N243 PolarHBondContact O-N 3.47Å; Q240-N243 PolarHBondContact O-N 2.83Å; F241-N243 PolarHBondContact O-N 3.19Å; N243-R245 PolarHBondContact O-N 3.04Å; N243-Q246 PolarHBondContact O-N 2.82Å; N243-V247 WeakPolarHBondContact O-CB 3.38Å; N243-V247 VanDerWaalsContact O-CG2 3.3Å; N243-V247 WeakPolarHBondContact O-CG2 3.5Å; N243-V247 PolarHBondContact O-N 3.32Å
244M72.7Confident79.2Confident9 Ų974.3 Ų74.34%0.04439%0.387CS..Hα-helixtrans-53.3-52.1172.8-79.6-107.1-159.900112Q240 F241 Q246 V247 I248 L258 L262 F280 L284Q240-M244 WeakPolarHBondContact O-CG 3.42Å; Q240-M244 PolarHBondContact O-N 3.24Å; F241-M244 WeakPolarHBondContact O-CB 3.5Å; F241-M244 PolarHBondContact O-N 2.99Å; M244-Q246 PolarHBondContact O-N 2.87Å; M244-V247 PolarHBondContact O-N 2.91Å; M244-I248 WeakPolarHBondContact O-CB 3.36Å; M244-I248 PolarHBondContact O-N 3.41Å; M244-L258 HydrophobicContact CB-CD2 4.2Å; M244-L258 HydrophobicContact CE-CB 4.14Å; M244-L258 HydrophobicContact CE-CD2 4.33Å; M244-L258 HydrophobicContact CE-CG 3.74Å; M244-L258 HydrophobicContact CG-CD2 3.63Å; M244-L258 HydrophobicContact CG-CG 4.05Å; M244-L258 HydrophobicContact SD-CB 3.9Å; M244-L258 HydrophobicContact SD-CD2 3.44Å; M244-L258 WeakPolarHBondContact SD-CD2 3.34Å; M244-L258 HydrophobicContact SD-CG 3.5Å; M244-L258 WeakPolarHBondContact SD-CG 3.4Å; M244-L262 HydrophobicContact CE-CB 3.92Å; M244-L262 HydrophobicContact CE-CD2 3.49Å; M244-L262 VanDerWaalsContact CE-CD2 3.49Å; M244-L262 HydrophobicContact CE-CG 4.3Å; M244-F280 HydrophobicContact CE-CZ 4.08Å; M244-F280 HydrophobicContact SD-CZ 3.89Å; M244-L284 HydrophobicContact CB-CD1 4.01Å
245R78.9Confident79.2Confident11 Ų1170.9 Ų70.94%0.04237%0.373CS..Hα-helixtrans-54.7-50.5177.9179.9-176.4-81.4177.6-12.9110.8F241 N243 V247 I248 Q249 M283 L284 E286F241-R245 WeakPolarHBondContact O-CB 3.44Å; F241-R245 PolarHBondContact O-N 3.21Å; N243-R245 PolarHBondContact O-N 3.04Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.5Å; R245-I248 PolarHBondContact O-N 2.82Å; R245-Q249 WeakPolarHBondContact O-CB 3.44Å; R245-Q249 PolarHBondContact O-N 3.19Å; R245-M283 PolarHBondContact NE-O 2.93Å; R245-M283 VanDerWaalsContact NE-O 3.15Å; R245-M283 PolarHBondContact NH2-O 2.88Å; R245-L284 HydrophobicContact CB-CD1 4.34Å; R245-E286 IonicContact CZ-OE1 3.24Å; R245-E286 PolarHBondContact NE-O 2.77Å; R245-E286 VanDerWaalsContact NE-O 3.08Å; R245-E286 PolarHBondContact NH2-O 3.03Å; R245-E286 VanDerWaalsContact NH2-O 3.12Å; R245-E286 IonicContact NH2-OE1 2.67Å; R245-E286 PolarHBondContact NH2-OE1 3Å
246Q82.1Confident79.5Confident116 Ų11674.8 Ų74.854%0.54240%0.399SS..Hα-helixtrans-61.4-38.3179.6-161.770.923.600112.8Q242 N243 M244 Q250Q242-Q246 WeakPolarHBondContact O-CB 3.41Å; Q242-Q246 PolarHBondContact O-N 3.48Å; Q242-Q246 VanDerWaalsContact O-N 3.11Å; N243-Q246 PolarHBondContact O-N 2.82Å; M244-Q246 PolarHBondContact O-N 2.87Å; Q246-Q250 WeakPolarHBondContact O-CB 3.2Å; Q246-Q250 PolarHBondContact O-N 2.82Å
247V80.3Confident79.8Confident37 Ų3773.3 Ų73.322%0.22441%0.405CS..Hα-helixtrans-75-38.3178.5172.30000111.5N243 M244 R245 Q250 N251 L254 L258N243-V247 WeakPolarHBondContact O-CB 3.38Å; N243-V247 VanDerWaalsContact O-CG2 3.3Å; N243-V247 WeakPolarHBondContact O-CG2 3.5Å; N243-V247 PolarHBondContact O-N 3.32Å; M244-V247 PolarHBondContact O-N 2.91Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.5Å; V247-Q250 PolarHBondContact O-N 3Å; V247-N251 PolarHBondContact O-N 3.36Å; V247-L254 HydrophobicContact CG1-CB 4.01Å; V247-L254 HydrophobicContact CG1-CD1 3.67Å; V247-L258 HydrophobicContact CB-CD2 4.44Å; V247-L258 HydrophobicContact CG1-CD2 4.34Å
248I77.4Confident79.9Confident11 Ų1168.5 Ų68.56%0.05638%0.379CS..Hα-helixtrans-65.4-44176.4-108.670.8000111.4M244 R245 Q250 N251 L255 L284M244-I248 WeakPolarHBondContact O-CB 3.36Å; M244-I248 PolarHBondContact O-N 3.41Å; R245-I248 PolarHBondContact O-N 2.82Å; I248-Q250 PolarHBondContact O-N 3.38Å; I248-N251 CarbonylContact O-C 3.05Å; I248-N251 PolarHBondContact O-N 2.91Å; I248-L255 HydrophobicContact CD1-CB 3.71Å; I248-L255 HydrophobicContact CD1-CD1 4.44Å; I248-L255 HydrophobicContact CD1-CG 4.02Å; I248-L255 HydrophobicContact CG1-CB 4Å; I248-L255 HydrophobicContact CG1-CD1 4.06Å; I248-L255 HydrophobicContact CG1-CG 4.19Å; I248-L284 HydrophobicContact CB-CD2 3.98Å; I248-L284 HydrophobicContact CB-CG 4.14Å; I248-L284 HydrophobicContact CD1-CD2 3.9Å; I248-L284 HydrophobicContact CG1-CD2 3.59Å; I248-L284 HydrophobicContact CG1-CG 4.31Å; I248-L284 HydrophobicContact CG2-CB 4.36Å; I248-L284 HydrophobicContact CG2-CD2 4.05Å; I248-L284 HydrophobicContact CG2-CG 3.93Å
249Q80.3Confident79.7Confident126 Ų12667.6 Ų67.659%0.58938%0.376SS*.Hα-helixtrans-67.7-23.5179.5-163.4168.248.700112R245R245-Q249 WeakPolarHBondContact O-CB 3.44Å; R245-Q249 PolarHBondContact O-N 3.19Å
250Q83.5Confident79.9Confident132 Ų13268.9 Ų68.962%0.61737%0.373SS*.Hα-helixtrans-87.7-33.9172.5-166.9174.412100113.2Q246 V247 I248Q246-Q250 WeakPolarHBondContact O-CB 3.2Å; Q246-Q250 PolarHBondContact O-N 2.82Å; V247-Q250 PolarHBondContact O-N 3Å; I248-Q250 PolarHBondContact O-N 3.38Å
251N77.6Confident80.1Confident71 Ų7169.6 Ų69.638%0.3838%0.376SS..  trans-158.996-177.9-17024.1000112.7V247 I248 A253 L254V247-N251 PolarHBondContact O-N 3.36Å; I248-N251 CarbonylContact O-C 3.05Å; I248-N251 PolarHBondContact O-N 2.91Å; N251-A253 PolarHBondContact O-N 3.36Å; N251-A253 VanDerWaalsContact O-N 3.11Å; N251-L254 HydrophobicContact CB-CD1 4.18Å; N251-L254 HydrophobicContact CB-CG 4.49Å; N251-L254 PolarHBondContact O-N 3.03Å; N251-L254 VanDerWaalsContact O-N 3.15Å
252P80.7Confident79.8Confident95 Ų9570.2 Ų70.262%0.61738%0.38SS*.G310 helixtrans-65-20.2-175.625.1-34.5000113.8L254 L255P252-L254 PolarHBondContact O-N 3.49Å; P252-L255 WeakPolarHBondContact O-CB 3.3Å; P252-L255 PolarHBondContact O-N 3.2Å
253A85.1Confident79.5Confident72 Ų7266.4 Ų66.460%0.59537%0.365SS*.G310 helixtrans-66-13.4176.300000114.2N251N251-A253 PolarHBondContact O-N 3.36Å; N251-A253 VanDerWaalsContact O-N 3.11Å
254L80.6Confident79.7Confident75 Ų7569 Ų6939%0.39337%0.374SS..G310 helixtrans-86.2-11.6176.9-70.6172.7000114V247 N251 P252 A257 L258V247-L254 HydrophobicContact CG1-CB 4.01Å; V247-L254 HydrophobicContact CG1-CD1 3.67Å; N251-L254 HydrophobicContact CB-CD1 4.18Å; N251-L254 HydrophobicContact CB-CG 4.49Å; N251-L254 PolarHBondContact O-N 3.03Å; N251-L254 VanDerWaalsContact O-N 3.15Å; P252-L254 PolarHBondContact O-N 3.49Å; L254-A257 PolarHBondContact O-N 3.09Å; L254-A257 VanDerWaalsContact O-N 3.11Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 PolarHBondContact O-N 3.42Å
255L76.6Confident80.1Confident42 Ų4273.9 Ų73.922%0.2240%0.397CS..Hα-helixtrans-49.8-53176.5-163.6164.3000113.2I248 P252 A257 L258 L259 L284I248-L255 HydrophobicContact CD1-CB 3.71Å; I248-L255 HydrophobicContact CD1-CD1 4.44Å; I248-L255 HydrophobicContact CD1-CG 4.02Å; I248-L255 HydrophobicContact CG1-CB 4Å; I248-L255 HydrophobicContact CG1-CD1 4.06Å; I248-L255 HydrophobicContact CG1-CG 4.19Å; P252-L255 WeakPolarHBondContact O-CB 3.3Å; P252-L255 PolarHBondContact O-N 3.2Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.94Å; L255-L258 PolarHBondContact O-N 2.76Å; L255-L259 VanDerWaalsContact O-CB 3.29Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 PolarHBondContact O-N 3.12Å; L255-L284 HydrophobicContact CD1-CD2 4.23Å
256P81.2Confident79.8Confident85 Ų8576.8 Ų76.855%0.55241%0.413SS*.Hα-helixtrans-63.4-35.5178.423.7-34.6000113.5Q260P256-Q260 WeakPolarHBondContact O-CB 3.05Å; P256-Q260 PolarHBondContact O-N 3.08Å
257A83.4Confident79.8Confident57 Ų5775.4 Ų75.447%0.47141%0.414SS..Hα-helixtrans-69.7-38.5178.300000112L254 L255 Q260 Q261L254-A257 PolarHBondContact O-N 3.09Å; L254-A257 VanDerWaalsContact O-N 3.11Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 2.94Å; A257-Q260 WeakPolarHBondContact O-CB 3.43Å; A257-Q260 PolarHBondContact O-N 3.15Å; A257-Q261 PolarHBondContact O-N 3.38Å
258L77.5Confident79.8Confident49 Ų4981.3 Ų81.326%0.25744%0.44SS..Hα-helixtrans-77.8-32.1-179.2-154.854.5000111.6M244 V247 L254 L255 Q261 L262M244-L258 HydrophobicContact CB-CD2 4.2Å; M244-L258 HydrophobicContact CE-CB 4.14Å; M244-L258 HydrophobicContact CE-CD2 4.33Å; M244-L258 HydrophobicContact CE-CG 3.74Å; M244-L258 HydrophobicContact CG-CD2 3.63Å; M244-L258 HydrophobicContact CG-CG 4.05Å; M244-L258 HydrophobicContact SD-CB 3.9Å; M244-L258 HydrophobicContact SD-CD2 3.44Å; M244-L258 WeakPolarHBondContact SD-CD2 3.34Å; M244-L258 HydrophobicContact SD-CG 3.5Å; M244-L258 WeakPolarHBondContact SD-CG 3.4Å; V247-L258 HydrophobicContact CB-CD2 4.44Å; V247-L258 HydrophobicContact CG1-CD2 4.34Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 PolarHBondContact O-N 3.42Å; L255-L258 PolarHBondContact O-N 2.76Å; L258-Q261 PolarHBondContact O-N 3.5Å; L258-L262 WeakPolarHBondContact O-CB 2.87Å; L258-L262 PolarHBondContact O-N 2.75Å
259L78.7Confident79.7Confident35 Ų3581.1 Ų81.118%0.18344%0.439CS..Hα-helixtrans-64.9-38.6168.3-172.864.4000111.7L255 L262 G263 L270 I273L255-L259 VanDerWaalsContact O-CB 3.29Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 PolarHBondContact O-N 3.12Å; L259-L262 PolarHBondContact O-N 3.23Å; L259-G263 PolarHBondContact O-N 3.08Å; L259-L270 HydrophobicContact CD1-CD1 3.69Å; L259-L270 HydrophobicContact CG-CD1 3.88Å; L259-I273 HydrophobicContact CD1-CB 4.38Å; L259-I273 HydrophobicContact CD1-CD1 4.4Å; L259-I273 HydrophobicContact CD1-CG2 3.64Å
260Q82.9Confident79.7Confident133 Ų13378 Ų7862%0.62143%0.426SS*.Hα-helixtrans-64.6-41.9174.4-16768.97200111.9P256 A257 Q264P256-Q260 WeakPolarHBondContact O-CB 3.05Å; P256-Q260 PolarHBondContact O-N 3.08Å; A257-Q260 WeakPolarHBondContact O-CB 3.43Å; A257-Q260 PolarHBondContact O-N 3.15Å; Q260-Q264 PolarHBondContact O-N 3.47Å
261Q80.7Confident79.6Confident104 Ų10478.3 Ų78.349%0.48643%0.427SS..Hα-helixtrans-63.4-49.5174.3-178.568.528.500111.5A257 L258 G263 Q264 E265A257-Q261 PolarHBondContact O-N 3.38Å; L258-Q261 PolarHBondContact O-N 3.5Å; Q261-G263 VanDerWaalsContact C-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.02Å; Q261-Q264 WeakPolarHBondContact O-CB 3.4Å; Q261-Q264 PolarHBondContact O-N 3.23Å; Q261-E265 PolarHBondContact NE2-OE2 2.78Å; Q261-E265 PolarHBondContact O-N 3.05Å; Q261-E265 VanDerWaalsContact O-N 3.09Å
262L72.9Confident79.7Confident16 Ų1678.3 Ų78.38%0.08443%0.425CS..Hα-helixtrans-65-33.1-179.4-170.662.2000112.1M244 L258 L259 Q264 E265 N266 L269 I273M244-L262 HydrophobicContact CE-CB 3.92Å; M244-L262 HydrophobicContact CE-CD2 3.49Å; M244-L262 VanDerWaalsContact CE-CD2 3.49Å; M244-L262 HydrophobicContact CE-CG 4.3Å; L258-L262 WeakPolarHBondContact O-CB 2.87Å; L258-L262 PolarHBondContact O-N 2.75Å; L259-L262 PolarHBondContact O-N 3.23Å; L262-Q264 VanDerWaalsContact C-N 3.3Å; L262-Q264 PolarHBondContact O-N 2.92Å; L262-E265 PolarHBondContact O-N 2.91Å; L262-N266 PolarHBondContact O-N 3.05Å; L262-L269 HydrophobicContact CD1-CD2 3.79Å; L262-L269 HydrophobicContact CD2-CD2 3.83Å; L262-L269 HydrophobicContact CD2-CG 4.22Å; L262-L269 HydrophobicContact CG-CD2 3.92Å; L262-L269 HydrophobicContact CG-CG 4.42Å; L262-I273 HydrophobicContact CD2-CD1 3.48Å; L262-I273 VanDerWaalsContact CD2-CD1 3.48Å
263G76.8Confident79.5Confident14 Ų1473.9 Ų73.914%0.14440%0.396CS..Hα-helixtrans-69.9-23.1172.200000115.2L259 Q261L259-G263 PolarHBondContact O-N 3.08Å; Q261-G263 VanDerWaalsContact C-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.02Å
264Q84.7Confident79.3Confident158 Ų15873.8 Ų73.874%0.73839%0.391SS*.Hα-helixtrans-81-36.8174.5-165.4122.2-27.400112Q260 Q261 L262Q260-Q264 PolarHBondContact O-N 3.47Å; Q261-Q264 WeakPolarHBondContact O-CB 3.4Å; Q261-Q264 PolarHBondContact O-N 3.23Å; L262-Q264 VanDerWaalsContact C-N 3.3Å; L262-Q264 PolarHBondContact O-N 2.92Å
265E80.1Confident79.6Confident113 Ų11379.6 Ų79.653%0.52841%0.408SS..Hα-helixtrans-79.9-36.4176.7-76.6178.360.700113Q261 L262Q261-E265 PolarHBondContact NE2-OE2 2.78Å; Q261-E265 PolarHBondContact O-N 3.05Å; Q261-E265 VanDerWaalsContact O-N 3.09Å; L262-E265 PolarHBondContact O-N 2.91Å
266N72.4Confident79.7Confident71 Ų7179.6 Ų79.638%0.3841%0.407SS..  trans-144.583.5-170.7-149.313.2000112.9L262 Q268 L269 L270L262-N266 PolarHBondContact O-N 3.05Å; N266-Q268 PolarHBondContact O-N 2.88Å; N266-L269 HydrophobicContact CB-CB 4.01Å; N266-L269 HydrophobicContact CB-CD2 4.39Å; N266-L269 WeakPolarHBondContact O-CB 3.28Å; N266-L269 PolarHBondContact O-N 3.35Å; N266-L270 PolarHBondContact O-N 3.43Å; N266-L270 VanDerWaalsContact O-N 3.13Å
267P83Confident79.4Confident87 Ų8780 Ų8057%0.56540%0.401SS*.Hα-helixtrans-67.6-29.2-171.125.2-34.6000114.3L269 L270 Q271P267-L269 VanDerWaalsContact C-N 3.3Å; P267-L269 PolarHBondContact O-N 2.8Å; P267-L270 PolarHBondContact O-N 3.13Å; P267-Q271 PolarHBondContact O-N 3.38Å
268Q80.3Confident79Confident162 Ų16284.8 Ų84.876%0.75741%0.413SS*.Hα-helixtrans-63.6-37.6171.7-82.6-179.8-110.600111.9N266 Q271 Q272N266-Q268 PolarHBondContact O-N 2.88Å; Q268-Q271 PolarHBondContact O-N 3.06Å; Q268-Q272 PolarHBondContact O-N 3.33Å
269L74.6Confident79Confident7 Ų786.3 Ų86.34%0.03742%0.419CS..Hα-helixtrans-70.9-37.5177.8177.156.8000111.2F234 L235 L262 N266 P267 Q271 Q272 I273F234-L269 HydrophobicContact CZ-CD1 4.17Å; L235-L269 HydrophobicContact CD1-CD1 3.69Å; L235-L269 HydrophobicContact CD1-CD2 3.65Å; L235-L269 HydrophobicContact CD1-CG 4.32Å; L235-L269 HydrophobicContact CD2-CD1 3.93Å; L235-L269 HydrophobicContact CG-CD1 4.46Å; L262-L269 HydrophobicContact CD1-CD2 3.79Å; L262-L269 HydrophobicContact CD2-CD2 3.83Å; L262-L269 HydrophobicContact CD2-CG 4.22Å; L262-L269 HydrophobicContact CG-CD2 3.92Å; L262-L269 HydrophobicContact CG-CG 4.42Å; N266-L269 HydrophobicContact CB-CB 4.01Å; N266-L269 HydrophobicContact CB-CD2 4.39Å; N266-L269 WeakPolarHBondContact O-CB 3.28Å; N266-L269 PolarHBondContact O-N 3.35Å; P267-L269 VanDerWaalsContact C-N 3.3Å; P267-L269 PolarHBondContact O-N 2.8Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.48Å; L269-Q272 PolarHBondContact O-N 3.2Å; L269-I273 HydrophobicContact CD1-CD1 3.88Å; L269-I273 HydrophobicContact CD1-CG1 4.04Å; L269-I273 HydrophobicContact CG-CD1 3.76Å; L269-I273 HydrophobicContact CG-CG1 4.39Å; L269-I273 WeakPolarHBondContact O-CB 3.38Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 2.89Å
270L80Confident78.8Confident60 Ų6084.7 Ų84.731%0.31441%0.411SS..Hα-helixtrans-60.9-38.7170-170.973.8000112.2L259 N266 P267 Q272 I273 S274L259-L270 HydrophobicContact CD1-CD1 3.69Å; L259-L270 HydrophobicContact CG-CD1 3.88Å; N266-L270 PolarHBondContact O-N 3.43Å; N266-L270 VanDerWaalsContact O-N 3.13Å; P267-L270 PolarHBondContact O-N 3.13Å; L270-Q272 VanDerWaalsContact C-N 3.34Å; L270-I273 PolarHBondContact O-N 3.14Å; L270-S274 VanDerWaalsContact O-CB 3.31Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.31Å; L270-S274 PolarHBondContact O-OG 3.38Å
271Q82.3Confident78.6Confident139 Ų13981.1 Ų81.165%0.6540%0.395SS*.Hα-helixtrans-66.9-35.9175.7-159.6156.747.200111.8P267 Q268 L269 S274 R275P267-Q271 PolarHBondContact O-N 3.38Å; Q268-Q271 PolarHBondContact O-N 3.06Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.48Å; Q271-S274 WeakPolarHBondContact CA-OG 3.38Å; Q271-S274 PolarHBondContact O-OG 3.09Å; Q271-S274 VanDerWaalsContact O-OG 3.09Å; Q271-R275 WeakPolarHBondContact O-CG 3.47Å; Q271-R275 PolarHBondContact O-N 2.76Å
272Q78.4Confident78.2Confident71 Ų7183 Ų8333%0.33240%0.404SS..Hα-helixtrans-69.3-47.7172-151.177.5-7400112.1P231 L232 Q268 L269 L270 S274 R275 H276P231-Q272 HydrophobicContact CB-CG 4.19Å; P231-Q272 HydrophobicContact CG-CG 4.43Å; L232-Q272 HydrophobicContact CD1-CB 4.38Å; L232-Q272 HydrophobicContact CD1-CG 3.61Å; L232-Q272 HydrophobicContact CG-CG 4.41Å; Q268-Q272 PolarHBondContact O-N 3.33Å; L269-Q272 PolarHBondContact O-N 3.2Å; L270-Q272 VanDerWaalsContact C-N 3.34Å; Q272-S274 VanDerWaalsContact C-N 3.32Å; Q272-S274 PolarHBondContact O-N 2.87Å; Q272-R275 PolarHBondContact O-N 2.84Å; Q272-R275 VanDerWaalsContact O-N 3.14Å; Q272-H276 WeakPolarHBondContact O-CB 3.27Å; Q272-H276 PolarHBondContact O-CD2 3.49Å; Q272-H276 VanDerWaalsContact O-CD2 3.31Å; Q272-H276 PolarHBondContact O-N 3.29Å
273I77.8Confident78.1Confident1 Ų183.1 Ų83.11%0.00541%0.405CS..Hα-helixtrans-63.4-36.6178.9-66.2163.6000111.3L232 L235 L259 L262 L269 L270 R275 H276 Q277 F280L232-I273 HydrophobicContact CD2-CG1 3.68Å; L235-I273 HydrophobicContact CD2-CD1 4.32Å; L259-I273 HydrophobicContact CD1-CB 4.38Å; L259-I273 HydrophobicContact CD1-CD1 4.4Å; L259-I273 HydrophobicContact CD1-CG2 3.64Å; L262-I273 HydrophobicContact CD2-CD1 3.48Å; L262-I273 VanDerWaalsContact CD2-CD1 3.48Å; L269-I273 HydrophobicContact CD1-CD1 3.88Å; L269-I273 HydrophobicContact CD1-CG1 4.04Å; L269-I273 HydrophobicContact CG-CD1 3.76Å; L269-I273 HydrophobicContact CG-CG1 4.39Å; L269-I273 WeakPolarHBondContact O-CB 3.38Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 2.89Å; L270-I273 PolarHBondContact O-N 3.14Å; I273-R275 VanDerWaalsContact C-N 3.35Å; I273-H276 CarbonylContact O-C 3.3Å; I273-H276 VanDerWaalsContact O-C 3.3Å; I273-H276 PolarHBondContact O-N 3.26Å; I273-Q277 WeakPolarHBondContact O-CA 3.28Å; I273-Q277 VanDerWaalsContact O-CB 3.3Å; I273-Q277 WeakPolarHBondContact O-CB 2.99Å; I273-Q277 PolarHBondContact O-N 3.03Å; I273-F280 HydrophobicContact CD1-CD2 4.1Å; I273-F280 HydrophobicContact CD1-CE2 3.85Å; I273-F280 HydrophobicContact CD1-CZ 4.46Å; I273-F280 HydrophobicContact CG1-CD2 3.86Å; I273-F280 HydrophobicContact CG1-CE2 4.16Å; I273-F280 HydrophobicContact CG1-CG 4.42Å; I273-F280 HydrophobicContact CG2-CB 4.15Å; I273-F280 HydrophobicContact CG2-CD1 4.01Å; I273-F280 HydrophobicContact CG2-CD2 4.06Å; I273-F280 HydrophobicContact CG2-CE1 4.43Å; I273-F280 HydrophobicContact CG2-CE2 4.47Å; I273-F280 HydrophobicContact CG2-CG 3.81Å
274S80.6Confident78.1Confident71 Ų7182.6 Ų82.650%0.49740%0.399SS..Hα-helixtrans-70-29.7175.752.30000113.2L270 Q271 Q272L270-S274 VanDerWaalsContact O-CB 3.31Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.31Å; L270-S274 PolarHBondContact O-OG 3.38Å; Q271-S274 WeakPolarHBondContact CA-OG 3.38Å; Q271-S274 PolarHBondContact O-OG 3.09Å; Q271-S274 VanDerWaalsContact O-OG 3.09Å; Q272-S274 VanDerWaalsContact C-N 3.32Å; Q272-S274 PolarHBondContact O-N 2.87Å
275R86.1Confident77.6Confident197 Ų19780.3 Ų80.374%0.74339%0.391SS*.Hα-helixtrans-78.7-25.6171.8-72-16176.1116.911.1113.8Q271 Q272 I273Q271-R275 WeakPolarHBondContact O-CG 3.47Å; Q271-R275 PolarHBondContact O-N 2.76Å; Q272-R275 PolarHBondContact O-N 2.84Å; Q272-R275 VanDerWaalsContact O-N 3.14Å; I273-R275 VanDerWaalsContact C-N 3.35Å
276H80.2Confident76.9Confident42 Ų4277.8 Ų77.819%0.19438%0.379CS..SBendtrans-124.838.3-173.8-64-94.3000111.2L232 Q272 I273 E278 Q279 F280L232-H276 HydrophobicContact CD1-CB 3.63Å; Q272-H276 WeakPolarHBondContact O-CB 3.27Å; Q272-H276 PolarHBondContact O-CD2 3.49Å; Q272-H276 VanDerWaalsContact O-CD2 3.31Å; Q272-H276 PolarHBondContact O-N 3.29Å; I273-H276 CarbonylContact O-C 3.3Å; I273-H276 VanDerWaalsContact O-C 3.3Å; I273-H276 PolarHBondContact O-N 3.26Å; H276-E278 VanDerWaalsContact C-N 3.32Å; H276-E278 PolarHBondContact O-N 2.76Å; H276-Q279 HydrophobicContact CB-CB 4.45Å; H276-Q279 PolarHBondContact ND1-OE1 3.32Å; H276-Q279 PolarHBondContact O-N 2.91Å; H276-F280 PolarHBondContact O-N 3.1Å
277Q73.9Confident76Confident92 Ų9277 Ų7743%0.4338%0.379SS..Hα-helixtrans-66.3-37.3-170.2-162.2-176.9113.900111.5I273 F280 I281I273-Q277 WeakPolarHBondContact O-CA 3.28Å; I273-Q277 VanDerWaalsContact O-CB 3.3Å; I273-Q277 WeakPolarHBondContact O-CB 2.99Å; I273-Q277 PolarHBondContact O-N 3.03Å; Q277-F280 PolarHBondContact O-N 3.38Å; Q277-I281 HydrophobicContact CG-CD1 3.93Å; Q277-I281 WeakPolarHBondContact O-CB 3.34Å; Q277-I281 WeakPolarHBondContact O-CD1 3.38Å; Q277-I281 WeakPolarHBondContact O-CG1 3.38Å; Q277-I281 PolarHBondContact O-N 2.9Å
278E75.8Confident74.4Confident158 Ų15877.7 Ų77.774%0.73838%0.383SS*.Hα-helixtrans-62-45.4175.2-66.9156.299.200111.3H276 I281 Q282H276-E278 VanDerWaalsContact C-N 3.32Å; H276-E278 PolarHBondContact O-N 2.76Å; E278-I281 PolarHBondContact O-N 3.25Å; E278-Q282 WeakPolarHBondContact O-CB 3.23Å; E278-Q282 PolarHBondContact O-N 3.29Å
279Q76.1Confident72.8Confident81 Ų8172.6 Ų72.638%0.37937%0.374SS..Hα-helixtrans-68-36.4177.1-70.2140.94700112.2H276 Q282 M283H276-Q279 HydrophobicContact CB-CB 4.45Å; H276-Q279 PolarHBondContact ND1-OE1 3.32Å; H276-Q279 PolarHBondContact O-N 2.91Å; Q279-Q282 PolarHBondContact O-N 2.89Å; Q279-M283 PolarHBondContact O-N 2.94Å
280F75.5Confident71Confident2 Ų279.6 Ų79.61%0.00941%0.406CS..Hα-helixtrans-62-48172-179.9-95.6000111.2L232 L235 F241 M244 I273 H276 Q277 M283 L284L232-F280 HydrophobicContact CD2-CB 4.03Å; L232-F280 HydrophobicContact CD2-CD2 3.88Å; L232-F280 HydrophobicContact CD2-CG 4.43Å; L235-F280 HydrophobicContact CD2-CD2 4.16Å; L235-F280 HydrophobicContact CD2-CE2 3.93Å; F241-F280 HydrophobicContact CD2-CD2 4.36Å; F241-F280 AromaticContact CD2-CE2 3.84Å; F241-F280 HydrophobicContact CD2-CE2 3.84Å; F241-F280 AromaticContact CE2-CD2 3.69Å; F241-F280 HydrophobicContact CE2-CD2 3.69Å; F241-F280 AromaticContact CE2-CE2 3.52Å; F241-F280 HydrophobicContact CE2-CE2 3.52Å; F241-F280 HydrophobicContact CE2-CZ 4.27Å; M244-F280 HydrophobicContact CE-CZ 4.08Å; M244-F280 HydrophobicContact SD-CZ 3.89Å; I273-F280 HydrophobicContact CD1-CD2 4.1Å; I273-F280 HydrophobicContact CD1-CE2 3.85Å; I273-F280 HydrophobicContact CD1-CZ 4.46Å; I273-F280 HydrophobicContact CG1-CD2 3.86Å; I273-F280 HydrophobicContact CG1-CE2 4.16Å; I273-F280 HydrophobicContact CG1-CG 4.42Å; I273-F280 HydrophobicContact CG2-CB 4.15Å; I273-F280 HydrophobicContact CG2-CD1 4.01Å; I273-F280 HydrophobicContact CG2-CD2 4.06Å; I273-F280 HydrophobicContact CG2-CE1 4.43Å; I273-F280 HydrophobicContact CG2-CE2 4.47Å; I273-F280 HydrophobicContact CG2-CG 3.81Å; H276-F280 PolarHBondContact O-N 3.1Å; Q277-F280 PolarHBondContact O-N 3.38Å; F280-M283 PolarHBondContact O-N 2.9Å; F280-L284 HydrophobicContact CD1-CD2 4.34Å; F280-L284 HydrophobicContact CE1-CD1 4.45Å; F280-L284 HydrophobicContact CE1-CD2 3.73Å; F280-L284 HydrophobicContact CZ-CD1 4.27Å; F280-L284 HydrophobicContact CZ-CD2 4.22Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.75Å
281I77.5Confident69.3Low57 Ų5783.8 Ų83.829%0.29243%0.428SS..Hα-helixtrans-64.9-38.8177.9-69.1163.9000111.3Q277 E278 L284 N285Q277-I281 HydrophobicContact CG-CD1 3.93Å; Q277-I281 WeakPolarHBondContact O-CB 3.34Å; Q277-I281 WeakPolarHBondContact O-CD1 3.38Å; Q277-I281 WeakPolarHBondContact O-CG1 3.38Å; Q277-I281 PolarHBondContact O-N 2.9Å; E278-I281 PolarHBondContact O-N 3.25Å; I281-L284 PolarHBondContact O-N 3.49Å; I281-N285 PolarHBondContact O-N 2.99Å; I281-N285 PolarHBondContact O-ND2 3.4Å
282Q73.5Confident67.3Low144 Ų14481.4 Ų81.467%0.67343%0.432SS*.Hα-helixtrans-61.4-52.5176.5-162.769.71700110.5E278 Q279 L284 N285 E286E278-Q282 WeakPolarHBondContact O-CB 3.23Å; E278-Q282 PolarHBondContact O-N 3.29Å; Q279-Q282 PolarHBondContact O-N 2.89Å; Q282-L284 PolarHBondContact O-N 3.49Å; Q282-N285 PolarHBondContact O-N 3.22Å; Q282-E286 WeakPolarHBondContact O-CB 3.48Å; Q282-E286 PolarHBondContact O-N 2.8Å
283M71.5Confident65.3Low19 Ų1985 Ų859%0.09445%0.454CS..Hα-helixtrans-64.6-22.6175.1-76.8-171.6-77.100113.6L232 R236 F241 R245 Q279 F280L232-M283 HydrophobicContact CB-CE 3.72Å; R236-M283 HydrophobicContact CB-SD 4.19Å; R236-M283 HydrophobicContact CG-SD 4.24Å; F241-M283 HydrophobicContact CE1-CB 4.03Å; F241-M283 HydrophobicContact CZ-CB 3.56Å; R245-M283 PolarHBondContact NE-O 2.93Å; R245-M283 VanDerWaalsContact NE-O 3.15Å; R245-M283 PolarHBondContact NH2-O 2.88Å; Q279-M283 PolarHBondContact O-N 2.94Å; F280-M283 PolarHBondContact O-N 2.9Å
284L76.1Confident63.4Low3 Ų393 Ų932%0.01649%0.494CS..Hα-helixtrans-78.3-28.8176.4-13261.8000113.1F241 M244 R245 I248 L255 F280 I281 Q282F241-L284 HydrophobicContact CD2-CD1 4.16Å; F241-L284 HydrophobicContact CE1-CD1 4.13Å; F241-L284 HydrophobicContact CE2-CD1 3.54Å; F241-L284 HydrophobicContact CZ-CD1 3.5Å; M244-L284 HydrophobicContact CB-CD1 4.01Å; R245-L284 HydrophobicContact CB-CD1 4.34Å; I248-L284 HydrophobicContact CB-CD2 3.98Å; I248-L284 HydrophobicContact CB-CG 4.14Å; I248-L284 HydrophobicContact CD1-CD2 3.9Å; I248-L284 HydrophobicContact CG1-CD2 3.59Å; I248-L284 HydrophobicContact CG1-CG 4.31Å; I248-L284 HydrophobicContact CG2-CB 4.36Å; I248-L284 HydrophobicContact CG2-CD2 4.05Å; I248-L284 HydrophobicContact CG2-CG 3.93Å; L255-L284 HydrophobicContact CD1-CD2 4.23Å; F280-L284 HydrophobicContact CD1-CD2 4.34Å; F280-L284 HydrophobicContact CE1-CD1 4.45Å; F280-L284 HydrophobicContact CE1-CD2 3.73Å; F280-L284 HydrophobicContact CZ-CD1 4.27Å; F280-L284 HydrophobicContact CZ-CD2 4.22Å; F280-L284 WeakPolarHBondContact O-CB 3.49Å; F280-L284 PolarHBondContact O-N 2.75Å; I281-L284 PolarHBondContact O-N 3.49Å; Q282-L284 PolarHBondContact O-N 3.49Å
285N73.3Confident61.3Low109 Ų10995.1 Ų95.158%0.58351%0.509SS*.Hα-helixtrans-92.4-20.1173.6-71.2-84.8000112.6I281 Q282 P287I281-N285 PolarHBondContact O-N 2.99Å; I281-N285 PolarHBondContact O-ND2 3.4Å; Q282-N285 PolarHBondContact O-N 3.22Å; N285-P287 WeakPolarHBondContact O-CD 3.04Å
286E66.3Low58.9Low60 Ų6093.3 Ų93.328%0.2852%0.515SS..SBendtrans-55.9118.8170.7-178.6-1639000110.3R236 R245 Q282R236-E286 IonicContact CZ-OE1 2.73Å; R236-E286 IonicContact NH1-OE1 3.86Å; R236-E286 PolarHBondContact NH1-OE1 3.02Å; R236-E286 IonicContact NH1-OE2 2.68Å; R245-E286 IonicContact CZ-OE1 3.24Å; R245-E286 PolarHBondContact NE-O 2.77Å; R245-E286 VanDerWaalsContact NE-O 3.08Å; R245-E286 PolarHBondContact NH2-O 3.03Å; R245-E286 VanDerWaalsContact NH2-O 3.12Å; R245-E286 IonicContact NH2-OE1 2.67Å; R245-E286 PolarHBondContact NH2-OE1 3Å; Q282-E286 WeakPolarHBondContact O-CB 3.48Å; Q282-E286 PolarHBondContact O-N 2.8Å
287P53.7Low56.6Low56 Ų5697.6 Ų97.636%0.36454%0.544SS..  trans-68148.5171.729.4-33.3000110N285 G289N285-P287 WeakPolarHBondContact O-CD 3.04Å; P287-G289 PolarHBondContact O-N 3.14Å
288P48.4Very low54.9Low101 Ų101102.2 Ų102.266%0.65657%0.565SS**THydrogen-bonded Turntrans-69.925.6-173.729.4-36.7000116
289G47Very low52.8Low55 Ų5598.5 Ų98.557%0.56757%0.569SS**THydrogen-bonded Turntrans-141.6-1.1-17000000117.6P287 L291P287-G289 PolarHBondContact O-N 3.14Å; G289-L291 PolarHBondContact O-N 3.28Å
290E37.2Very low51.1Low154 Ų154103.6 Ų103.672%0.7259%0.593SS**THydrogen-bonded Turntrans-85.550.7-173-147168.6112.100113.7
291L43.9Very low49.2Very low148 Ų148109.8 Ų109.878%0.77563%0.631SS**THydrogen-bonded Turntrans-126.615.7169.5-90166.2000112G289G289-L291 PolarHBondContact O-N 3.28Å
292A40.9Very low47.2Very low88 Ų88110.8 Ų110.873%0.72766%0.655SS**SBendtrans-130.413.2-173.900000114.3
293D35.1Very low45.2Very low148 Ų148108.6 Ų108.679%0.79166%0.662SS**SBendtrans-133.352.4-178.1-146.8-93.4000112.4
294I37.9Very low43.9Very low167 Ų167116.6 Ų116.686%0.85670%0.703SS**SBendtrans-135.427.5163.661.1160.4000112.1
295S38Very low41.8Very low116 Ų116119.8 Ų119.881%0.81174%0.737SS**  trans-134.131-177.6-62.10000113.9
296D34.4Very low39.8Very low159 Ų159123.8 Ų123.885%0.8575%0.752SS**  trans-134.778.7167.8-155.6-86.6000112.6
297V33.7Very low38.7Very low133 Ų133130.6 Ų130.681%0.80678%0.784SS**SBendtrans-168.9120.6141.688.80000104.8
298E37.6Very low37.7Very low189 Ų189132.1 Ų132.188%0.88380%0.801SS**SBendcis-133.7148.513.1-60.716454.300109.8
299G31.3Very low37.4Very low80 Ų80132.8 Ų132.883%0.82581%0.805SS**  trans160.348.617100000119.2V301G299-V301 PolarHBondContact O-N 2.93Å
300E39.7Very low37.1Very low187 Ų187139.5 Ų139.587%0.87482%0.822SS**  trans-12.2112.8165.3-169.7-177.691.800118
301V35.9Very low37.3Very low133 Ų133140.5 Ų140.581%0.80683%0.829SS**  174.4121.4120.7156.80000107.8G299G299-V301 PolarHBondContact O-N 2.93Å
302G35.3Very low37.5Very low77 Ų77140.1 Ų140.179%0.79483%0.828SS**  trans-87.6157.7-172.100000115.5
303A33.1Very low37.4Very low99 Ų99146.1 Ų146.182%0.81883%0.833SS**  trans-151.1113.2152.100000110.2G305A303-G305 PolarHBondContact O-N 2.94Å
304I43.3Very low38.5Very low186 Ų186143.4 Ų143.495%0.95482%0.817SS**  trans-58.5124.4157.344.6136.3000108.9
305G31.8Very low39Very low71 Ų71144 Ų14473%0.73282%0.816SS**  trans-158.462.6-163.900000115.2A303A303-G305 PolarHBondContact O-N 2.94Å
306E31.2Very low40.1Very low192 Ų192141.1 Ų141.190%0.89779%0.794SS**  trans56.4119.3145.8-145158.9102.900120.3A308E306-A308 PolarHBondContact O-N 2.72Å
307E43.3Very low41.9Very low204 Ų204137 Ų13795%0.95377%0.774SS**  trans-70.5106.6172.2-46.4-179.3121.300110.2
308A33.7Very low43.8Very low87 Ų87135.6 Ų135.672%0.71977%0.768SS**  trans-118.3143.4176.200000112E306E306-A308 PolarHBondContact O-N 2.72Å
309P41.5Very low45.6Very low116 Ų116133.9 Ų133.975%0.75376%0.76SS**  trans-85.9137-16032.6-36.1000114.4M311P309-M311 PolarHBondContact O-N 2.83Å; P309-M311 VanDerWaalsContact O-N 3.14Å
310Q40.5Very low47.9Very low196 Ų196130.3 Ų130.392%0.91672%0.722SS**  trans39.457.2152.8-57.6-160.6-5700116.8N312Q310-N312 PolarHBondContact O-N 3.36Å
311M41.6Very low49.8Very low175 Ų175127.6 Ų127.686%0.86271%0.707SS**  trans-69.9119161.8-145.368.1-176.900108.6P309 Y313P309-M311 PolarHBondContact O-N 2.83Å; P309-M311 VanDerWaalsContact O-N 3.14Å; M311-Y313 PolarHBondContact O-N 3.22Å
312N47.2Very low52Low140 Ų140127.1 Ų127.175%0.74970%0.696SS**  trans-57.699.6-174.1-178.539.5000111.7Q310 I314Q310-N312 PolarHBondContact O-N 3.36Å; N312-I314 WeakPolarHBondContact O-CD1 3.47Å; N312-I314 PolarHBondContact O-N 3.05Å
313Y40.1Very low54.1Low214 Ų214123.8 Ų123.884%0.83966%0.661SS**  trans-73.598.4-175.3-125.8-91000110.5M311 Q315M311-Y313 PolarHBondContact O-N 3.22Å; Y313-Q315 PolarHBondContact O-N 3.32Å
314I57.7Low56.4Low90 Ų90119.4 Ų119.446%0.46262%0.624SS.*  trans-65.9122.2164-58.599.8000107N312 V316 F342N312-I314 WeakPolarHBondContact O-CD1 3.47Å; N312-I314 PolarHBondContact O-N 3.05Å; I314-V316 PolarHBondContact O-N 2.93Å; I314-F342 HydrophobicContact CG2-CE1 3.98Å; I314-F342 HydrophobicContact CG2-CE2 4.37Å; I314-F342 HydrophobicContact CG2-CZ 3.7Å
315Q48.7Very low58.4Low179 Ų179115.6 Ų115.684%0.83660%0.602SS**  trans-67.698.5174.3-72.4-177.91.100109.5Y313 T317Y313-Q315 PolarHBondContact O-N 3.32Å; Q315-T317 PolarHBondContact O-N 3.02Å
316V60.2Low60.8Low57 Ų57119.7 Ų119.735%0.34560%0.596SS.*  trans-69114.8173.1179.50000108.2I314 E320 K321 I324I314-V316 PolarHBondContact O-N 2.93Å; V316-E320 HydrophobicContact CG1-CB 3.64Å; V316-K321 HydrophobicContact CG1-CB 4.01Å; V316-I324 HydrophobicContact CG1-CD1 3.67Å; V316-I324 HydrophobicContact CG2-CD1 4.38Å
317T73.4Confident63.2Low71 Ų71110.8 Ų110.844%0.43655%0.554SS.*  trans-69.7156.8174.965.50000110.4Q315 Q319 E320 K321Q315-T317 PolarHBondContact O-N 3.02Å; T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.08Å; T317-Q319 VanDerWaalsContact O-N 3.15Å; T317-E320 VanDerWaalsContact CB-OE2 3.29Å; T317-E320 WeakPolarHBondContact CB-OE2 3.45Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.41Å; T317-E320 PolarHBondContact N-OE2 3Å; T317-E320 WeakPolarHBondContact O-CB 3.48Å; T317-E320 PolarHBondContact O-N 3.13Å; T317-E320 VanDerWaalsContact OG1-CD 3.29Å; T317-E320 VanDerWaalsContact OG1-CG 3.31Å; T317-E320 WeakPolarHBondContact OG1-CG 3.25Å; T317-E320 PolarHBondContact OG1-OE2 2.84Å; T317-K321 PolarHBondContact O-N 3.34Å
318P73.7Confident65.1Low104 Ų104105 Ų10568%0.67553%0.525SS*.Hα-helixtrans-55.5-36.9-173.216.3-31.1000114.5E320 K321 E322P318-E320 VanDerWaalsContact C-N 3.33Å; P318-E320 PolarHBondContact O-N 3.31Å; P318-K321 WeakPolarHBondContact O-CB 3.26Å; P318-K321 PolarHBondContact O-N 3.34Å; P318-E322 PolarHBondContact O-N 2.83Å
319Q75.2Confident67.4Low153 Ų153105.1 Ų105.172%0.71553%0.527SS*.Hα-helixtrans-64.7-36.5175.9-72.7175.942.900112.8T317 E322 A323T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.08Å; T317-Q319 VanDerWaalsContact O-N 3.15Å; Q319-E322 PolarHBondContact O-N 2.94Å; Q319-A323 PolarHBondContact O-N 2.83Å; Q319-A323 VanDerWaalsContact O-N 3.17Å
320E78.6Confident69.2Low5 Ų5105 Ų1052%0.02352%0.519CS..Hα-helixtrans-70.1-38.7177.2-58.1172.9107.200109.8V316 T317 P318 E322 A323 I324 Y341 F342 K346V316-E320 HydrophobicContact CG1-CB 3.64Å; T317-E320 VanDerWaalsContact CB-OE2 3.29Å; T317-E320 WeakPolarHBondContact CB-OE2 3.45Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.41Å; T317-E320 PolarHBondContact N-OE2 3Å; T317-E320 WeakPolarHBondContact O-CB 3.48Å; T317-E320 PolarHBondContact O-N 3.13Å; T317-E320 VanDerWaalsContact OG1-CD 3.29Å; T317-E320 VanDerWaalsContact OG1-CG 3.31Å; T317-E320 WeakPolarHBondContact OG1-CG 3.25Å; T317-E320 PolarHBondContact OG1-OE2 2.84Å; P318-E320 VanDerWaalsContact C-N 3.33Å; P318-E320 PolarHBondContact O-N 3.31Å; E320-E322 PolarHBondContact O-N 2.89Å; E320-A323 PolarHBondContact O-N 3.36Å; E320-I324 WeakPolarHBondContact O-CB 3.27Å; E320-I324 VanDerWaalsContact O-CD1 3.27Å; E320-I324 WeakPolarHBondContact O-CD1 3.39Å; E320-I324 WeakPolarHBondContact O-CG1 3.47Å; E320-I324 PolarHBondContact O-N 3.45Å; E320-Y341 HydrophobicContact CB-CE1 3.81Å; E320-Y341 HydrophobicContact CG-CE1 3.76Å; E320-F342 VanDerWaalsContact OE1-CZ 3.26Å; E320-F342 WeakPolarHBondContact OE1-CZ 3.44Å; E320-K346 WeakPolarHBondContact OE1-CD 3.5Å; E320-K346 WeakPolarHBondContact OE1-CE 3.48Å; E320-K346 IonicContact OE1-NZ 3.63Å; E320-K346 PolarHBondContact OE1-NZ 2.67Å; E320-K346 IonicContact OE2-NZ 2.78Å
321K80Confident70.9Confident131 Ų13198.8 Ų98.857%0.5751%0.508SS*.Hα-helixtrans-60.6-44174.5-174-176.8174.6-174.10111.7V316 T317 P318 I324 E325V316-K321 HydrophobicContact CG1-CB 4.01Å; T317-K321 PolarHBondContact O-N 3.34Å; P318-K321 WeakPolarHBondContact O-CB 3.26Å; P318-K321 PolarHBondContact O-N 3.34Å; K321-I324 PolarHBondContact O-N 2.95Å; K321-E325 WeakPolarHBondContact O-CB 3.29Å; K321-E325 PolarHBondContact O-N 3.15Å
322E81.8Confident72.7Confident123 Ų12391.6 Ų91.658%0.57547%0.472SS*.Hα-helixtrans-62.5-41.9176.1-72.9-175.185.700112.4P318 Q319 E320 E325 R326P318-E322 PolarHBondContact O-N 2.83Å; Q319-E322 PolarHBondContact O-N 2.94Å; E320-E322 PolarHBondContact O-N 2.89Å; E322-E325 PolarHBondContact O-N 2.93Å; E322-R326 WeakPolarHBondContact O-CG 3.35Å; E322-R326 PolarHBondContact O-N 3.27Å
323A79.3Confident74.4Confident7 Ų788.1 Ų88.16%0.05846%0.457CS..Hα-helixtrans-64.4-43.917500000111.6Q319 E320 E325 R326 L327 Y341 E348Q319-A323 PolarHBondContact O-N 2.83Å; Q319-A323 VanDerWaalsContact O-N 3.17Å; E320-A323 PolarHBondContact O-N 3.36Å; A323-E325 VanDerWaalsContact C-N 3.3Å; A323-E325 PolarHBondContact O-N 3.46Å; A323-R326 PolarHBondContact O-N 3.3Å; A323-L327 WeakPolarHBondContact O-CD1 3.21Å; A323-L327 PolarHBondContact O-N 3.25Å; A323-Y341 HydrophobicContact CB-CD2 4.24Å; A323-Y341 HydrophobicContact CB-CE2 3.5Å; A323-E348 HydrophobicContact CB-CG 4.39Å
324I82.6Confident76.3Confident7 Ų782.3 Ų82.34%0.03644%0.437CS..Hα-helixtrans-60.1-40.6174.6-69.4155.9000110.8V316 E320 K321 L327 K328 E334 V337 I338V316-I324 HydrophobicContact CG1-CD1 3.67Å; V316-I324 HydrophobicContact CG2-CD1 4.38Å; E320-I324 WeakPolarHBondContact O-CB 3.27Å; E320-I324 VanDerWaalsContact O-CD1 3.27Å; E320-I324 WeakPolarHBondContact O-CD1 3.39Å; E320-I324 WeakPolarHBondContact O-CG1 3.47Å; E320-I324 PolarHBondContact O-N 3.45Å; K321-I324 PolarHBondContact O-N 2.95Å; I324-L327 PolarHBondContact O-N 3.29Å; I324-K328 VanDerWaalsContact O-CB 3.26Å; I324-K328 WeakPolarHBondContact O-CB 3.41Å; I324-K328 PolarHBondContact O-N 2.86Å; I324-E334 HydrophobicContact CG2-CG 3.93Å; I324-V337 HydrophobicContact CB-CG1 4.05Å; I324-V337 HydrophobicContact CG1-CG1 4.08Å; I324-V337 HydrophobicContact CG2-CB 4.5Å; I324-V337 HydrophobicContact CG2-CG1 3.86Å; I324-I338 HydrophobicContact CD1-CG1 3.69Å; I324-I338 HydrophobicContact CG1-CG1 4.08Å; I324-I338 HydrophobicContact CG2-CG1 4.11Å
325E84.3Confident77.5Confident106 Ų10682 Ų8250%0.49544%0.443SS..Hα-helixtrans-68.8-37.9179.7-166.3165.799.300112.5K321 E322 A323 K328 A329K321-E325 WeakPolarHBondContact O-CB 3.29Å; K321-E325 PolarHBondContact O-N 3.15Å; E322-E325 PolarHBondContact O-N 2.93Å; A323-E325 VanDerWaalsContact C-N 3.3Å; A323-E325 PolarHBondContact O-N 3.46Å; E325-K328 PolarHBondContact O-N 2.82Å; E325-A329 WeakPolarHBondContact O-CB 3.45Å; E325-A329 PolarHBondContact O-N 3.37Å
326R83.2Confident79.1Confident157 Ų15777.7 Ų77.759%0.59243%0.425SS*.Hα-helixtrans-64.4-43.1171.2-75.1178.6172-161.7-0.1112.8E322 A323 K328 A329 L330 E348E322-R326 WeakPolarHBondContact O-CG 3.35Å; E322-R326 PolarHBondContact O-N 3.27Å; A323-R326 PolarHBondContact O-N 3.3Å; R326-K328 VanDerWaalsContact C-N 3.33Å; R326-A329 PolarHBondContact O-N 3.39Å; R326-L330 PolarHBondContact O-N 2.98Å; R326-E348 WeakPolarHBondContact CD-OE2 3.34Å; R326-E348 IonicContact NH1-OE2 3.76Å
327L81.7Confident80.2Confident4 Ų475 Ų752%0.02141%0.409CS..Hα-helixtrans-68.1-34.7176.1-90.461.3000111.2A323 I324 L330 F332 V337 E348 A351 A352 L355A323-L327 WeakPolarHBondContact O-CD1 3.21Å; A323-L327 PolarHBondContact O-N 3.25Å; I324-L327 PolarHBondContact O-N 3.29Å; L327-L330 WeakPolarHBondContact O-CB 3.27Å; L327-L330 PolarHBondContact O-N 2.86Å; L327-F332 WeakPolarHBondContact O-CD2 3.11Å; L327-V337 HydrophobicContact CB-CB 4.35Å; L327-V337 HydrophobicContact CB-CG1 3.41Å; L327-V337 VanDerWaalsContact CB-CG1 3.41Å; L327-V337 HydrophobicContact CB-CG2 3.95Å; L327-V337 HydrophobicContact CD2-CG1 3.9Å; L327-V337 HydrophobicContact CG-CG1 4.3Å; L327-E348 HydrophobicContact CD1-CG 3.61Å; L327-A351 HydrophobicContact CD2-CB 3.81Å; L327-A352 HydrophobicContact CD1-CB 4.42Å; L327-A352 HydrophobicContact CG-CB 4.44Å; L327-L355 HydrophobicContact CD2-CD1 3.79Å; L327-L355 HydrophobicContact CG-CD1 4.39Å
328K81.4Confident80.6Confident82 Ų8274 Ų7436%0.35740%0.401SS..Hα-helixtrans-65.8-37.4171.4-175172.162.7-177.80112.3I324 E325 R326 L330 G331 E334I324-K328 VanDerWaalsContact O-CB 3.26Å; I324-K328 WeakPolarHBondContact O-CB 3.41Å; I324-K328 PolarHBondContact O-N 2.86Å; E325-K328 PolarHBondContact O-N 2.82Å; R326-K328 VanDerWaalsContact C-N 3.33Å; K328-L330 PolarHBondContact O-N 2.99Å; K328-G331 PolarHBondContact O-N 3.35Å; K328-E334 HydrophobicContact CD-CB 4.2Å; K328-E334 WeakPolarHBondContact CD-OE2 3.43Å; K328-E334 WeakPolarHBondContact CE-OE2 3.26Å; K328-E334 IonicContact NZ-OE2 2.65Å; K328-E334 PolarHBondContact NZ-OE2 3.17Å
329A83.9Confident81Confident90 Ų9075.6 Ų75.674%0.74440%0.399SS*.Hα-helixtrans-66.1-18.4174.600000113.7E325 R326E325-A329 WeakPolarHBondContact O-CB 3.45Å; E325-A329 PolarHBondContact O-N 3.37Å; R326-A329 PolarHBondContact O-N 3.39Å
330L77.9Confident81.2Confident114 Ų11468.4 Ų68.460%0.59737%0.366SS*.THydrogen-bonded Turntrans-80.5-0.2169.4-64.9169.1000113.2R326 L327 K328 F332R326-L330 PolarHBondContact O-N 2.98Å; L327-L330 WeakPolarHBondContact O-CB 3.27Å; L327-L330 PolarHBondContact O-N 2.86Å; K328-L330 PolarHBondContact O-N 2.99Å; L330-F332 HydrophobicContact CB-CD2 3.86Å; L330-F332 HydrophobicContact CB-CE2 3.81Å
331G75.9Confident81.4Confident66 Ų6669 Ų6968%0.6837%0.368SS*.THydrogen-bonded Turntrans97.61.2176.500000115.3K328K328-G331 PolarHBondContact O-N 3.35Å
332F80.1Confident81.6Confident24 Ų2465.9 Ų65.911%0.10536%0.355CS..  trans-80.5139.3179.3-60-70.5000111.9L327 L330 V337 L355 L356 N359L327-F332 WeakPolarHBondContact O-CD2 3.11Å; L330-F332 HydrophobicContact CB-CD2 3.86Å; L330-F332 HydrophobicContact CB-CE2 3.81Å; F332-V337 HydrophobicContact CB-CG2 3.47Å; F332-V337 VanDerWaalsContact CB-CG2 3.47Å; F332-L355 HydrophobicContact CB-CD1 4.38Å; F332-L355 HydrophobicContact CD1-CB 4.08Å; F332-L355 HydrophobicContact CD2-CB 4.4Å; F332-L355 HydrophobicContact CD2-CD1 4.33Å; F332-L355 HydrophobicContact CE1-CB 4.05Å; F332-L355 HydrophobicContact CE2-CB 4.38Å; F332-L355 HydrophobicContact CG-CB 4.27Å; F332-L355 HydrophobicContact CG-CD1 4.23Å; F332-L355 HydrophobicContact CZ-CB 4.22Å; F332-L356 HydrophobicContact CE2-CD1 3.58Å; F332-L356 HydrophobicContact CZ-CD1 3.49Å; F332-L356 VanDerWaalsContact CZ-CD1 3.49Å; F332-L356 HydrophobicContact CZ-CG 4.02Å; F332-N359 HydrophobicContact CE1-CB 3.99Å
333P83.3Confident81.6Confident66 Ų6663.6 Ų63.643%0.42936%0.357SS..  trans-69.7137.1179.928.5-34000111.2S335 L336 V337P333-S335 PolarHBondContact O-N 3.34Å; P333-S335 VanDerWaalsContact O-N 3.08Å; P333-L336 HydrophobicContact CG-CB 4.1Å; P333-L336 HydrophobicContact CG-CD1 3.74Å; P333-L336 HydrophobicContact CG-CG 3.93Å; P333-L336 PolarHBondContact O-N 2.99Å; P333-V337 WeakPolarHBondContact O-CG2 3.37Å; P333-V337 PolarHBondContact O-N 3.42Å
334E80.3Confident81.8Confident92 Ų9264.3 Ų64.343%0.4336%0.361SS..Hα-helixtrans-53.2-36.6-170.9-169.6168.595.800113.9I324 K328 V337 I338I324-E334 HydrophobicContact CG2-CG 3.93Å; K328-E334 HydrophobicContact CD-CB 4.2Å; K328-E334 WeakPolarHBondContact CD-OE2 3.43Å; K328-E334 WeakPolarHBondContact CE-OE2 3.26Å; K328-E334 IonicContact NZ-OE2 2.65Å; K328-E334 PolarHBondContact NZ-OE2 3.17Å; E334-V337 PolarHBondContact O-N 3.32Å; E334-I338 HydrophobicContact CG-CD1 3.88Å; E334-I338 HydrophobicContact CG-CG1 4.45Å; E334-I338 WeakPolarHBondContact O-CD1 3.19Å; E334-I338 VanDerWaalsContact O-CG1 3.25Å; E334-I338 WeakPolarHBondContact O-CG1 3.46Å; E334-I338 PolarHBondContact O-N 2.86Å
335S81.5Confident81.9Confident84 Ų8472.6 Ų72.659%0.58740%0.4SS*.Hα-helixtrans-61.8-46.4176.448.40000113.3P333 Q339P333-S335 PolarHBondContact O-N 3.34Å; P333-S335 VanDerWaalsContact O-N 3.08Å; S335-Q339 WeakPolarHBondContact O-CB 3.19Å; S335-Q339 PolarHBondContact O-N 3.3Å; S335-Q339 VanDerWaalsContact O-N 3.13Å
336L82.8Confident81.7Confident88 Ų8872.5 Ų72.546%0.46140%0.397SS..Hα-helixtrans-70-35.9175-66.6-176.8000111.3P333 Q339 A340 L355P333-L336 HydrophobicContact CG-CB 4.1Å; P333-L336 HydrophobicContact CG-CD1 3.74Å; P333-L336 HydrophobicContact CG-CG 3.93Å; P333-L336 PolarHBondContact O-N 2.99Å; L336-Q339 PolarHBondContact O-N 3.26Å; L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.06Å; L336-A340 PolarHBondContact O-N 3.06Å; L336-L355 HydrophobicContact CB-CD2 4.07Å
337V83Confident81.7Confident0 Ų068.2 Ų68.20%039%0.386CS..Hα-helixtrans-61.6-50.1177.1173.90000111.2I324 L327 F332 P333 E334 Q339 A340 Y341 L355I324-V337 HydrophobicContact CB-CG1 4.05Å; I324-V337 HydrophobicContact CG1-CG1 4.08Å; I324-V337 HydrophobicContact CG2-CB 4.5Å; I324-V337 HydrophobicContact CG2-CG1 3.86Å; L327-V337 HydrophobicContact CB-CB 4.35Å; L327-V337 HydrophobicContact CB-CG1 3.41Å; L327-V337 VanDerWaalsContact CB-CG1 3.41Å; L327-V337 HydrophobicContact CB-CG2 3.95Å; L327-V337 HydrophobicContact CD2-CG1 3.9Å; L327-V337 HydrophobicContact CG-CG1 4.3Å; F332-V337 HydrophobicContact CB-CG2 3.47Å; F332-V337 VanDerWaalsContact CB-CG2 3.47Å; P333-V337 WeakPolarHBondContact O-CG2 3.37Å; P333-V337 PolarHBondContact O-N 3.42Å; E334-V337 PolarHBondContact O-N 3.32Å; V337-Q339 VanDerWaalsContact C-N 3.34Å; V337-Q339 PolarHBondContact O-N 2.65Å; V337-A340 PolarHBondContact O-N 3.04Å; V337-Y341 WeakPolarHBondContact O-CB 3.32Å; V337-Y341 PolarHBondContact O-N 3.5Å; V337-L355 HydrophobicContact CG2-CD1 4.02Å
338I82.9Confident81.8Confident52 Ų5271 Ų7127%0.26740%0.399SS..Hα-helixtrans-58.5-47.9176-67.8162.3000109.9I324 E334 Y341 F342I324-I338 HydrophobicContact CD1-CG1 3.69Å; I324-I338 HydrophobicContact CG1-CG1 4.08Å; I324-I338 HydrophobicContact CG2-CG1 4.11Å; E334-I338 HydrophobicContact CG-CD1 3.88Å; E334-I338 HydrophobicContact CG-CG1 4.45Å; E334-I338 WeakPolarHBondContact O-CD1 3.19Å; E334-I338 VanDerWaalsContact O-CG1 3.25Å; E334-I338 WeakPolarHBondContact O-CG1 3.46Å; E334-I338 PolarHBondContact O-N 2.86Å; I338-Y341 PolarHBondContact O-N 2.61Å; I338-F342 HydrophobicContact CG2-CD2 3.94Å; I338-F342 HydrophobicContact CG2-CE2 4.2Å; I338-F342 WeakPolarHBondContact O-CD2 3.04Å; I338-F342 PolarHBondContact O-N 2.93Å
339Q81Confident81.9Confident136 Ų13672.8 Ų72.864%0.63641%0.413SS*.Hα-helixtrans-62.1-46.6-178.7-175.8174.7-2100112.6S335 L336 V337 A343S335-Q339 WeakPolarHBondContact O-CB 3.19Å; S335-Q339 PolarHBondContact O-N 3.3Å; S335-Q339 VanDerWaalsContact O-N 3.13Å; L336-Q339 PolarHBondContact O-N 3.26Å; V337-Q339 VanDerWaalsContact C-N 3.34Å; V337-Q339 PolarHBondContact O-N 2.65Å; Q339-A343 WeakPolarHBondContact O-CB 3.31Å; Q339-A343 PolarHBondContact O-N 3.5Å
340A79.8Confident81.9Confident3 Ų373.3 Ų73.33%0.02540%0.403CS..Hα-helixtrans-65.9-40.4176.900000112L336 V337 A343 C344 F354 L355L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.06Å; L336-A340 PolarHBondContact O-N 3.06Å; V337-A340 PolarHBondContact O-N 3.04Å; A340-A343 PolarHBondContact O-N 3.41Å; A340-C344 WeakPolarHBondContact O-CB 3.42Å; A340-C344 PolarHBondContact O-N 3.45Å; A340-C344 PolarHBondContact O-SG 3.48Å; A340-C344 VanDerWaalsContact O-SG 3.37Å; A340-F354 HydrophobicContact CB-CD1 3.89Å; A340-F354 HydrophobicContact CB-CE1 4.48Å; A340-L355 HydrophobicContact CB-CD1 4.09Å; A340-L355 HydrophobicContact CB-CD2 3.74Å; A340-L355 HydrophobicContact CB-CG 3.68Å
341Y83.4Confident82.1Confident17 Ų1767.9 Ų67.97%0.06737%0.374CS..Hα-helixtrans-64.2-43.2179.6-174.7-95.5000112.4E320 A323 V337 I338 C344 K346 A351E320-Y341 HydrophobicContact CB-CE1 3.81Å; E320-Y341 HydrophobicContact CG-CE1 3.76Å; A323-Y341 HydrophobicContact CB-CD2 4.24Å; A323-Y341 HydrophobicContact CB-CE2 3.5Å; V337-Y341 WeakPolarHBondContact O-CB 3.32Å; V337-Y341 PolarHBondContact O-N 3.5Å; I338-Y341 PolarHBondContact O-N 2.61Å; Y341-C344 PolarHBondContact O-N 3.32Å; Y341-K346 HydrophobicContact CD1-CB 4.39Å; Y341-K346 HydrophobicContact CE1-CB 3.65Å; Y341-K346 HydrophobicContact CE1-CG 4.06Å; Y341-K346 WeakPolarHBondContact CE2-O 3.43Å; Y341-K346 VanDerWaalsContact CZ-O 3.22Å; Y341-K346 VanDerWaalsContact O-CA 3.32Å; Y341-K346 WeakPolarHBondContact O-CA 3.41Å; Y341-K346 PolarHBondContact O-N 3.25Å; Y341-K346 PolarHBondContact OH-O 3.12Å; Y341-K346 VanDerWaalsContact OH-O 3.04Å; Y341-A351 HydrophobicContact CD2-CB 4.13Å
342F83.5Confident82.4Confident66 Ų6665.7 Ų65.729%0.28935%0.349SS..Hα-helixtrans-72.5-32.1172.7-82.3-83.9000113.1I314 E320 I338 C344I314-F342 HydrophobicContact CG2-CE1 3.98Å; I314-F342 HydrophobicContact CG2-CE2 4.37Å; I314-F342 HydrophobicContact CG2-CZ 3.7Å; E320-F342 VanDerWaalsContact OE1-CZ 3.26Å; E320-F342 WeakPolarHBondContact OE1-CZ 3.44Å; I338-F342 HydrophobicContact CG2-CD2 3.94Å; I338-F342 HydrophobicContact CG2-CE2 4.2Å; I338-F342 WeakPolarHBondContact O-CD2 3.04Å; I338-F342 PolarHBondContact O-N 2.93Å; F342-C344 VanDerWaalsContact C-N 3.3Å; F342-C344 PolarHBondContact O-N 2.89Å
343A82.6Confident82.6Confident74 Ų7470 Ų7061%0.61237%0.373SS*.Hα-helixtrans-67.4-29.4173.600000113.1Q339 A340Q339-A343 WeakPolarHBondContact O-CB 3.31Å; Q339-A343 PolarHBondContact O-N 3.5Å; A340-A343 PolarHBondContact O-N 3.41Å
344C82Confident82.6Confident22 Ų2271.4 Ų71.415%0.14937%0.373CS..THydrogen-bonded Turntrans-95.931.7178.2-65.30000113.6A340 Y341 F342 K346 N347 L350 A351A340-C344 WeakPolarHBondContact O-CB 3.42Å; A340-C344 PolarHBondContact O-N 3.45Å; A340-C344 PolarHBondContact O-SG 3.48Å; A340-C344 VanDerWaalsContact O-SG 3.37Å; Y341-C344 PolarHBondContact O-N 3.32Å; F342-C344 VanDerWaalsContact C-N 3.3Å; F342-C344 PolarHBondContact O-N 2.89Å; C344-K346 VanDerWaalsContact C-N 3.27Å; C344-K346 PolarHBondContact O-N 3.34Å; C344-N347 VanDerWaalsContact O-CB 3.25Å; C344-N347 WeakPolarHBondContact O-CB 3.44Å; C344-N347 PolarHBondContact O-N 2.88Å; C344-L350 HydrophobicContact CB-CB 3.79Å; C344-A351 HydrophobicContact CB-CB 4.22Å
345E84.6Confident82.6Confident182 Ų18267.5 Ų67.585%0.8536%0.355SS*.THydrogen-bonded Turntrans49.541.2179.5-68-167.485.800114.3N347E345-N347 VanDerWaalsContact C-N 3.26Å; E345-N347 PolarHBondContact O-N 2.93Å
346K81.8Confident82.5Confident103 Ų10367.9 Ų67.945%0.44835%0.35SS..THydrogen-bonded Turntrans64.623.3179.5-47.7-178.8177.6-146.30114.5E320 Y341 C344E320-K346 WeakPolarHBondContact OE1-CD 3.5Å; E320-K346 WeakPolarHBondContact OE1-CE 3.48Å; E320-K346 IonicContact OE1-NZ 3.63Å; E320-K346 PolarHBondContact OE1-NZ 2.67Å; E320-K346 IonicContact OE2-NZ 2.78Å; Y341-K346 HydrophobicContact CD1-CB 4.39Å; Y341-K346 HydrophobicContact CE1-CB 3.65Å; Y341-K346 HydrophobicContact CE1-CG 4.06Å; Y341-K346 WeakPolarHBondContact CE2-O 3.43Å; Y341-K346 VanDerWaalsContact CZ-O 3.22Å; Y341-K346 VanDerWaalsContact O-CA 3.32Å; Y341-K346 WeakPolarHBondContact O-CA 3.41Å; Y341-K346 PolarHBondContact O-N 3.25Å; Y341-K346 PolarHBondContact OH-O 3.12Å; Y341-K346 VanDerWaalsContact OH-O 3.04Å; C344-K346 VanDerWaalsContact C-N 3.27Å; C344-K346 PolarHBondContact O-N 3.34Å
347N82.5Confident82.2Confident67 Ų6767.4 Ų67.436%0.35835%0.354SS..  trans-94.6113.4179.3-171.1-65.6000111.7C344 E345 N349 L350 A351C344-N347 VanDerWaalsContact O-CB 3.25Å; C344-N347 WeakPolarHBondContact O-CB 3.44Å; C344-N347 PolarHBondContact O-N 2.88Å; E345-N347 VanDerWaalsContact C-N 3.26Å; E345-N347 PolarHBondContact O-N 2.93Å; N347-N349 VanDerWaalsContact C-N 3.34Å; N347-N349 PolarHBondContact O-N 3.31Å; N347-N349 PolarHBondContact OD1-N 3.26Å; N347-N349 VanDerWaalsContact OD1-N 3.14Å; N347-L350 HydrophobicContact CB-CB 4.07Å; N347-L350 HydrophobicContact CB-CD1 3.95Å; N347-L350 HydrophobicContact CB-CG 4.22Å; N347-L350 PolarHBondContact O-N 3.42Å; N347-L350 PolarHBondContact OD1-N 2.89Å; N347-A351 VanDerWaalsContact O-CB 3.26Å; N347-A351 WeakPolarHBondContact O-CB 3.37Å; N347-A351 PolarHBondContact O-N 3.37Å
348E83.1Confident81.6Confident63 Ų6373 Ų7329%0.29438%0.38SS..Hα-helixtrans-54-45.9-179.2-169.8-170.181.400112.4A323 R326 L327 A352A323-E348 HydrophobicContact CB-CG 4.39Å; R326-E348 WeakPolarHBondContact CD-OE2 3.34Å; R326-E348 IonicContact NH1-OE2 3.76Å; L327-E348 HydrophobicContact CD1-CG 3.61Å; E348-A352 VanDerWaalsContact O-CB 3.29Å; E348-A352 WeakPolarHBondContact O-CB 3.26Å; E348-A352 PolarHBondContact O-N 2.93Å
349N84.1Confident80.7Confident120 Ų12076 Ų7664%0.64240%0.397SS*.Hα-helixtrans-71.8-38.5-175.6-62.2105.5000112.9N347 N353N347-N349 VanDerWaalsContact C-N 3.34Å; N347-N349 PolarHBondContact O-N 3.31Å; N347-N349 PolarHBondContact OD1-N 3.26Å; N347-N349 VanDerWaalsContact OD1-N 3.14Å; N349-N353 VanDerWaalsContact O-CB 3.32Å; N349-N353 WeakPolarHBondContact O-CB 3.26Å; N349-N353 PolarHBondContact O-N 3.34Å
350L83.4Confident79.5Confident101 Ų10178.4 Ų78.453%0.52941%0.405SS..Hα-helixtrans-70.7-41.9175.7-68.9173.6000111.1C344 N347 N353 F354C344-L350 HydrophobicContact CB-CB 3.79Å; N347-L350 HydrophobicContact CB-CB 4.07Å; N347-L350 HydrophobicContact CB-CD1 3.95Å; N347-L350 HydrophobicContact CB-CG 4.22Å; N347-L350 PolarHBondContact O-N 3.42Å; N347-L350 PolarHBondContact OD1-N 2.89Å; L350-N353 PolarHBondContact O-N 3.48Å; L350-F354 VanDerWaalsContact O-CB 3.28Å; L350-F354 WeakPolarHBondContact O-CB 3.29Å; L350-F354 PolarHBondContact O-N 3.48Å
351A83.2Confident78.3Confident0 Ų085 Ų850%044%0.441CS..Hα-helixtrans-61.8-44.7176.100000111.7L327 Y341 C344 N347 F354 L355L327-A351 HydrophobicContact CD2-CB 3.81Å; Y341-A351 HydrophobicContact CD2-CB 4.13Å; C344-A351 HydrophobicContact CB-CB 4.22Å; N347-A351 VanDerWaalsContact O-CB 3.26Å; N347-A351 WeakPolarHBondContact O-CB 3.37Å; N347-A351 PolarHBondContact O-N 3.37Å; A351-F354 PolarHBondContact O-N 2.92Å; A351-L355 WeakPolarHBondContact O-CB 3.32Å; A351-L355 VanDerWaalsContact O-CG 3.26Å; A351-L355 WeakPolarHBondContact O-CG 3.35Å; A351-L355 PolarHBondContact O-N 3.04Å
352A82.2Confident76.7Confident19 Ų1992 Ų9216%0.15748%0.479CS..Hα-helixtrans-61.7-47.2173.600000111.5L327 E348 F354 L355 L356L327-A352 HydrophobicContact CD1-CB 4.42Å; L327-A352 HydrophobicContact CG-CB 4.44Å; E348-A352 VanDerWaalsContact O-CB 3.29Å; E348-A352 WeakPolarHBondContact O-CB 3.26Å; E348-A352 PolarHBondContact O-N 2.93Å; A352-F354 VanDerWaalsContact C-N 3.33Å; A352-F354 PolarHBondContact O-N 3.37Å; A352-L355 PolarHBondContact O-N 3.34Å; A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 WeakPolarHBondContact O-CD1 3.27Å; A352-L356 PolarHBondContact O-N 3.29Å
353N83.1Confident74.7Confident114 Ų114101.3 Ų101.361%0.6152%0.523SS*.Hα-helixtrans-61-41.4178.3-166.8-82.4000112.1N349 L350 L356 S357N349-N353 VanDerWaalsContact O-CB 3.32Å; N349-N353 WeakPolarHBondContact O-CB 3.26Å; N349-N353 PolarHBondContact O-N 3.34Å; L350-N353 PolarHBondContact O-N 3.48Å; N353-L356 PolarHBondContact O-N 3.4Å; N353-S357 VanDerWaalsContact O-CB 3.27Å; N353-S357 WeakPolarHBondContact O-CB 3.45Å; N353-S357 PolarHBondContact O-N 2.85Å
354F82.9Confident74.3Confident97 Ų97102.7 Ų102.743%0.42552%0.519SS..Hα-helixtrans-64.3-43.6176.5-175-98.3000112.4A340 L350 A351 A352 S357 Q358A340-F354 HydrophobicContact CB-CD1 3.89Å; A340-F354 HydrophobicContact CB-CE1 4.48Å; L350-F354 VanDerWaalsContact O-CB 3.28Å; L350-F354 WeakPolarHBondContact O-CB 3.29Å; L350-F354 PolarHBondContact O-N 3.48Å; A351-F354 PolarHBondContact O-N 2.92Å; A352-F354 VanDerWaalsContact C-N 3.33Å; A352-F354 PolarHBondContact O-N 3.37Å; F354-S357 PolarHBondContact O-N 2.9Å; F354-Q358 HydrophobicContact CD1-CG 4.34Å; F354-Q358 HydrophobicContact CE1-CG 4Å; F354-Q358 HydrophobicContact CZ-CG 4.17Å; F354-Q358 WeakPolarHBondContact O-CB 3.28Å; F354-Q358 WeakPolarHBondContact O-CG 3.32Å; F354-Q358 PolarHBondContact O-N 3.02Å
355L81.9Confident73.9Confident10 Ų10106.9 Ų106.95%0.05254%0.538CS..Hα-helixtrans-65.6-44.3175.2-71.9165.5000112.4L327 F332 L336 V337 A340 A351 A352 S357 Q358 N359L327-L355 HydrophobicContact CD2-CD1 3.79Å; L327-L355 HydrophobicContact CG-CD1 4.39Å; F332-L355 HydrophobicContact CB-CD1 4.38Å; F332-L355 HydrophobicContact CD1-CB 4.08Å; F332-L355 HydrophobicContact CD2-CB 4.4Å; F332-L355 HydrophobicContact CD2-CD1 4.33Å; F332-L355 HydrophobicContact CE1-CB 4.05Å; F332-L355 HydrophobicContact CE2-CB 4.38Å; F332-L355 HydrophobicContact CG-CB 4.27Å; F332-L355 HydrophobicContact CG-CD1 4.23Å; F332-L355 HydrophobicContact CZ-CB 4.22Å; L336-L355 HydrophobicContact CB-CD2 4.07Å; V337-L355 HydrophobicContact CG2-CD1 4.02Å; A340-L355 HydrophobicContact CB-CD1 4.09Å; A340-L355 HydrophobicContact CB-CD2 3.74Å; A340-L355 HydrophobicContact CB-CG 3.68Å; A351-L355 WeakPolarHBondContact O-CB 3.32Å; A351-L355 VanDerWaalsContact O-CG 3.26Å; A351-L355 WeakPolarHBondContact O-CG 3.35Å; A351-L355 PolarHBondContact O-N 3.04Å; A352-L355 PolarHBondContact O-N 3.34Å; L355-S357 VanDerWaalsContact C-N 3.27Å; L355-S357 PolarHBondContact O-N 2.89Å; L355-Q358 PolarHBondContact O-N 2.99Å; L355-N359 VanDerWaalsContact O-CB 3.32Å; L355-N359 WeakPolarHBondContact O-CB 3.25Å; L355-N359 PolarHBondContact O-N 3.14Å
356L79.6Confident73.3Confident91 Ų91102.7 Ų102.748%0.47652%0.521SS..Hα-helixtrans-62.8-35.4175-89.579000111.6F332 A352 N353F332-L356 HydrophobicContact CE2-CD1 3.58Å; F332-L356 HydrophobicContact CZ-CD1 3.49Å; F332-L356 VanDerWaalsContact CZ-CD1 3.49Å; F332-L356 HydrophobicContact CZ-CG 4.02Å; A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 WeakPolarHBondContact O-CD1 3.27Å; A352-L356 PolarHBondContact O-N 3.29Å; N353-L356 PolarHBondContact O-N 3.4Å
357S76.3Confident72.8Confident79 Ų79102.7 Ų102.755%0.55253%0.525SS*.Hα-helixtrans-74.4-33.7177-172.30000113.3N353 F354 L355N353-S357 VanDerWaalsContact O-CB 3.27Å; N353-S357 WeakPolarHBondContact O-CB 3.45Å; N353-S357 PolarHBondContact O-N 2.85Å; F354-S357 PolarHBondContact O-N 2.9Å; L355-S357 VanDerWaalsContact C-N 3.27Å; L355-S357 PolarHBondContact O-N 2.89Å
358Q70Confident72.2Confident118 Ų118104.9 Ų104.955%0.55154%0.536SS*.Hα-helixtrans-71.6-42.1174.2-82-92.2-75.100111.7F354 L355 F360 D361F354-Q358 HydrophobicContact CD1-CG 4.34Å; F354-Q358 HydrophobicContact CE1-CG 4Å; F354-Q358 HydrophobicContact CZ-CG 4.17Å; F354-Q358 WeakPolarHBondContact O-CB 3.28Å; F354-Q358 WeakPolarHBondContact O-CG 3.32Å; F354-Q358 PolarHBondContact O-N 3.02Å; L355-Q358 PolarHBondContact O-N 2.99Å; Q358-F360 PolarHBondContact O-N 3.06Å; Q358-F360 VanDerWaalsContact O-N 3.12Å; Q358-D361 PolarHBondContact O-N 3.18Å
359N63.5Low71.5Confident113 Ų113107.7 Ų107.760%0.60455%0.552SS**THydrogen-bonded Turntrans-71.2-3.8-178.3-158108.6000113.6F332 L355F332-N359 HydrophobicContact CE1-CB 3.99Å; L355-N359 VanDerWaalsContact O-CB 3.32Å; L355-N359 WeakPolarHBondContact O-CB 3.25Å; L355-N359 PolarHBondContact O-N 3.14Å
360F56.8Low70.6Confident187 Ų187106.9 Ų106.982%0.8255%0.545SS*.THydrogen-bonded Turntrans-106.6-0.2177-108-84.3000113.7Q358Q358-F360 PolarHBondContact O-N 3.06Å; Q358-F360 VanDerWaalsContact O-N 3.12Å
361D53.5Low69.6Low143 Ų143107.3 Ų107.377%0.76555%0.547SS*.SBendtrans-105.3-4.1-177.4-151.1-125.8000112.8Q358Q358-D361 PolarHBondContact O-N 3.18Å
362D50.8Low68.4Low162 Ų162116.3 Ų116.387%0.86659%0.592SS**  trans-11132.2-174.3-145.9-107.8000112.9
363E40.7Very low67.2Low262 Ų262125.1 Ų125.1100%1.22463%0.632SS**  trans-1250173.6-155.9-174.9124.200113

Retrieved 363 of 363 residues in 162.7 ms (Link to these results)

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