A0A077ZHJ8_TRITR Loading...

Conjugal transfer protein TraT

AlphaFold DB , UniProt , Accession A0A077ZHJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 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
1M68.4Low71.7Confident178 Ų17867.6 Ų67.688%0.87737%0.371SS*.  0131.50-73.2-179173.200107.4L44M1-L44 HydrophobicContact CB-CD1 3.75Å
2S68.5Low72.4Confident87 Ų8769.1 Ų69.161%0.60837%0.367SS*.EExtended strand (participates in β ladder)trans-126.6140.7-175530000109.7L10S2-L10 CarbonylContact C-O 3.34Å; S2-L10 WeakPolarHBondContact CA-O 3.35Å
3C69.2Low72.9Confident9 Ų966.5 Ų66.56%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-127.9122.4173.6-179.40000108.7L10 L44 T48C3-L10 HydrophobicContact CB-CB 4.44Å; C3-L10 PolarHBondContact N-O 2.73Å; C3-L10 PolarHBondContact O-N 3.1Å; C3-L44 HydrophobicContact CB-CD2 4.31Å; C3-T48 PolarHBondContact SG-OG1 3.13Å
4E69.5Low73.1Confident156 Ų15675.6 Ų75.673%0.72940%0.395SS*.EExtended strand (participates in β ladder)trans-87.1125.1177.2-68.4-176.5179.200110.2T9E4-T9 HydrophobicContact CG-CG2 4.13Å
5L62.4Low72.8Confident27 Ų2781.1 Ų81.114%0.14142%0.418CS..  trans-115.5146170.5-36.3174.3000107.1P7 F8 L10 V47 T51L5-P7 CarbonylContact O-C 3.32Å; L5-P7 WeakPolarHBondContact O-CA 3.19Å; L5-F8 CarbonylContact C-O 3.59Å; L5-F8 WeakPolarHBondContact CA-O 3.19Å; L5-F8 WeakPolarHBondContact CB-O 3.48Å; L5-F8 WeakPolarHBondContact CG-O 3.3Å; L5-F8 PolarHBondContact N-O 2.96Å; L5-F8 CarbonylContact O-C 3.34Å; L5-F8 PolarHBondContact O-N 3.3Å; L5-L10 HydrophobicContact CD1-CD1 3.77Å; L5-L10 HydrophobicContact CD1-CG 3.87Å; L5-L10 HydrophobicContact CG-CG 4.5Å; L5-V47 HydrophobicContact CD1-CG1 3.78Å; L5-V47 HydrophobicContact CD2-CG1 3.44Å; L5-V47 VanDerWaalsContact CD2-CG1 3.44Å; L5-V47 HydrophobicContact CG-CG1 4.26Å; L5-T51 HydrophobicContact CB-CG2 4.25Å; L5-T51 HydrophobicContact CD2-CG2 3.32Å; L5-T51 HydrophobicContact CG-CG2 4.27Å
6P62.9Low72.9Confident124 Ų12476.3 Ų76.381%0.80539%0.394SS*.SBendtrans-82.6117.4167.1-926.4000108.8
7P70.4Confident73.1Confident42 Ų4273.6 Ų73.627%0.27338%0.381SS..SBendcis-102.917.40.539.7-36.1000116.1L5 N23 R24L5-P7 CarbonylContact O-C 3.32Å; L5-P7 WeakPolarHBondContact O-CA 3.19Å; P7-N23 WeakPolarHBondContact O-CB 3.45Å; P7-N23 VanDerWaalsContact O-CG 3.27Å; P7-N23 PolarHBondContact O-N 3.13Å; P7-N23 PolarHBondContact O-ND2 2.83Å; P7-R24 HydrophobicContact CB-CG 4.15Å
8F74.8Confident73.3Confident67 Ų6769.6 Ų69.629%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-109.9141.1-175.2-58.5-87.9000113.9L5 R21 D22L5-F8 CarbonylContact C-O 3.59Å; L5-F8 WeakPolarHBondContact CA-O 3.19Å; L5-F8 WeakPolarHBondContact CB-O 3.48Å; L5-F8 WeakPolarHBondContact CG-O 3.3Å; L5-F8 PolarHBondContact N-O 2.96Å; L5-F8 CarbonylContact O-C 3.34Å; L5-F8 PolarHBondContact O-N 3.3Å; F8-R21 CarbonylContact C-O 3.2Å; F8-R21 WeakPolarHBondContact CA-O 3.21Å; F8-D22 HydrophobicContact CD1-CB 3.7Å; F8-D22 HydrophobicContact CE1-CB 3.52Å; F8-D22 VanDerWaalsContact CE1-OD2 3.25Å; F8-D22 WeakPolarHBondContact CE1-OD2 3.44Å; F8-D22 WeakPolarHBondContact CZ-OD2 3.29Å
9T81.8Confident73.8Confident16 Ų1666.7 Ų66.710%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-101.3122.6167.3-52.90000110.1E4 L11 R21 N23E4-T9 HydrophobicContact CG-CG2 4.13Å; T9-L11 HydrophobicContact CG2-CD1 4.47Å; T9-L11 HydrophobicContact CG2-CD2 3.98Å; T9-L11 HydrophobicContact CG2-CG 4.05Å; T9-R21 PolarHBondContact N-O 2.87Å; T9-R21 PolarHBondContact O-N 3.22Å; T9-N23 PolarHBondContact OG1-ND2 3.28Å; T9-N23 VanDerWaalsContact OG1-ND2 3.1Å; T9-N23 PolarHBondContact OG1-OD1 2.86Å
10L78Confident74.2Confident1 Ų164 Ų641%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-88129.7172.8-71.9176.8000110.9S2 C3 L5 V18 I19 A20 F31 L44 V47S2-L10 CarbonylContact C-O 3.34Å; S2-L10 WeakPolarHBondContact CA-O 3.35Å; C3-L10 HydrophobicContact CB-CB 4.44Å; C3-L10 PolarHBondContact N-O 2.73Å; C3-L10 PolarHBondContact O-N 3.1Å; L5-L10 HydrophobicContact CD1-CD1 3.77Å; L5-L10 HydrophobicContact CD1-CG 3.87Å; L5-L10 HydrophobicContact CG-CG 4.5Å; L10-V18 HydrophobicContact CD2-CG1 4.35Å; L10-I19 WeakPolarHBondContact CA-O 3.46Å; L10-A20 HydrophobicContact CD2-CB 3.62Å; L10-F31 HydrophobicContact CD1-CD1 4.45Å; L10-F31 HydrophobicContact CD1-CE1 4.23Å; L10-F31 HydrophobicContact CD1-CZ 4.26Å; L10-F31 HydrophobicContact CD2-CB 3.8Å; L10-F31 HydrophobicContact CD2-CD1 3.92Å; L10-F31 HydrophobicContact CD2-CD2 3.69Å; L10-F31 HydrophobicContact CD2-CE1 4.41Å; L10-F31 HydrophobicContact CD2-CE2 4.21Å; L10-F31 HydrophobicContact CD2-CG 3.52Å; L10-L44 HydrophobicContact CB-CD2 3.89Å; L10-V47 HydrophobicContact CD1-CB 3.94Å; L10-V47 HydrophobicContact CD1-CG1 3.6Å; L10-V47 HydrophobicContact CD1-CG2 3.92Å
11L82.8Confident74.5Confident37 Ų3765.1 Ų65.119%0.19433%0.333CS..EExtended strand (participates in β ladder)trans-136.5146.6-175.8-60.6169.8000110.5T9 V18 I19T9-L11 HydrophobicContact CG2-CD1 4.47Å; T9-L11 HydrophobicContact CG2-CD2 3.98Å; T9-L11 HydrophobicContact CG2-CG 4.05Å; L11-V18 CarbonylContact O-C 3.6Å; L11-V18 WeakPolarHBondContact O-CA 3.09Å; L11-I19 HydrophobicContact CB-CG1 4.19Å; L11-I19 PolarHBondContact N-O 2.68Å; L11-I19 PolarHBondContact O-N 2.8Å
12R80Confident74.9Confident85 Ų8557.2 Ų57.232%0.32129%0.294SS..EExtended strand (participates in β ladder)trans-90128.6167.5-173.9174.3-174.1-108.73.7110.1N17 T37R12-N17 CarbonylContact C-O 3.43Å; R12-N17 WeakPolarHBondContact CA-O 3.18Å; R12-T37 PolarHBondContact NH2-OG1 3.01Å; R12-T37 VanDerWaalsContact NH2-OG1 3.13Å
13T79.5Confident75.4Confident35 Ų3556.7 Ų56.722%0.21528%0.284CS..  trans-84.8161.717669.20000111.8H15 G16 N17 I19T13-H15 PolarHBondContact O-N 3.19Å; T13-G16 PolarHBondContact O-N 2.95Å; T13-G16 VanDerWaalsContact O-N 3.1Å; T13-N17 PolarHBondContact N-O 2.91Å; T13-N17 PolarHBondContact OG1-N 2.87Å; T13-N17 PolarHBondContact OG1-O 2.81Å; T13-I19 HydrophobicContact CG2-CB 4.33Å; T13-I19 HydrophobicContact CG2-CD1 3.7Å; T13-I19 HydrophobicContact CG2-CG1 3.75Å; T13-I19 HydrophobicContact CG2-CG2 3.67Å
14E74.7Confident75.6Confident194 Ų19464.8 Ų64.891%0.90731%0.313SS*.THydrogen-bonded Turntrans-62.4-29.7175.3-63.3-173.6172.500112.3G16E14-G16 PolarHBondContact O-N 3.07Å
15H69.2Low76.1Confident159 Ų15961.1 Ų61.174%0.73630%0.299SS*.THydrogen-bonded Turntrans-78.52.5176.6-55.9-54.9000114T13T13-H15 PolarHBondContact O-N 3.19Å
16G73.4Confident76.7Confident4 Ų465.4 Ų65.44%0.04132%0.322CS..SBendtrans104.4-29.517200000114.5T13 E14 C34T13-G16 PolarHBondContact O-N 2.95Å; T13-G16 VanDerWaalsContact O-N 3.1Å; E14-G16 PolarHBondContact O-N 3.07Å; G16-C34 CarbonylContact C-O 3.57Å
17N77.9Confident77.3Confident31 Ų3164.3 Ų64.317%0.16631%0.306CS..  trans-65.9152.9-174.4-64.2-22.1000113.3R12 T13 E33 C34R12-N17 CarbonylContact C-O 3.43Å; R12-N17 WeakPolarHBondContact CA-O 3.18Å; T13-N17 PolarHBondContact N-O 2.91Å; T13-N17 PolarHBondContact OG1-N 2.87Å; T13-N17 PolarHBondContact OG1-O 2.81Å; N17-E33 WeakPolarHBondContact OD1-CA 3.36Å; N17-C34 PolarHBondContact OD1-N 2.72Å
18V75.9Confident77.8Confident0 Ų067 Ų670%032%0.315CS..EExtended strand (participates in β ladder)trans-96.3122.9165.7-177.10000107.3L10 L11 F31 A32 A40 L44L10-V18 HydrophobicContact CD2-CG1 4.35Å; L11-V18 CarbonylContact O-C 3.6Å; L11-V18 WeakPolarHBondContact O-CA 3.09Å; V18-F31 HydrophobicContact CG1-CB 4.39Å; V18-F31 HydrophobicContact CG1-CD1 4.1Å; V18-F31 WeakPolarHBondContact O-CA 3.44Å; V18-F31 WeakPolarHBondContact O-CB 3.43Å; V18-F31 PolarHBondContact O-N 3.1Å; V18-A32 HydrophobicContact CB-CB 4.42Å; V18-A32 PolarHBondContact N-O 2.92Å; V18-A32 PolarHBondContact O-N 2.75Å; V18-A40 HydrophobicContact CG2-CB 3.9Å; V18-L44 HydrophobicContact CG1-CD2 4.28Å
19I83.7Confident78Confident16 Ų1669 Ų698%0.08232%0.324CS..EExtended strand (participates in β ladder)trans-112.1149.8178.561.2167.7000110.3L10 L11 T13 E28 F29L10-I19 WeakPolarHBondContact CA-O 3.46Å; L11-I19 HydrophobicContact CB-CG1 4.19Å; L11-I19 PolarHBondContact N-O 2.68Å; L11-I19 PolarHBondContact O-N 2.8Å; T13-I19 HydrophobicContact CG2-CB 4.33Å; T13-I19 HydrophobicContact CG2-CD1 3.7Å; T13-I19 HydrophobicContact CG2-CG1 3.75Å; T13-I19 HydrophobicContact CG2-CG2 3.67Å; I19-E28 HydrophobicContact CD1-CB 4.44Å; I19-E28 HydrophobicContact CD1-CG 4.31Å; I19-E28 WeakPolarHBondContact CD1-OE2 3.38Å; I19-F29 CarbonylContact C-O 3.16Å; I19-F29 VanDerWaalsContact CA-O 3.27Å; I19-F29 WeakPolarHBondContact CA-O 3.47Å; I19-F29 WeakPolarHBondContact CB-O 3.45Å
20A80.2Confident77.8Confident12 Ų1272.2 Ų72.210%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-104.1119.1167.900000108.9L10 E28 F29 F31L10-A20 HydrophobicContact CD2-CB 3.62Å; A20-E28 WeakPolarHBondContact O-CA 3.33Å; A20-F29 PolarHBondContact N-O 3.3Å; A20-F29 PolarHBondContact O-N 2.96Å; A20-F31 HydrophobicContact CB-CB 4.19Å; A20-F31 HydrophobicContact CB-CD2 4.31Å
21R80.3Confident77.6Confident88 Ų8877 Ų7733%0.33236%0.364SS..EExtended strand (participates in β ladder)trans-98120.4172.3-175.6-177.9-66.5162.1-2.3108.8F8 T9 N23 Q27 E28F8-R21 CarbonylContact C-O 3.2Å; F8-R21 WeakPolarHBondContact CA-O 3.21Å; T9-R21 PolarHBondContact N-O 2.87Å; T9-R21 PolarHBondContact O-N 3.22Å; R21-N23 PolarHBondContact O-N 2.78Å; R21-Q27 CarbonylContact C-O 3.58Å; R21-Q27 WeakPolarHBondContact CA-O 3.39Å; R21-E28 HydrophobicContact CB-CG 4.21Å; R21-E28 HydrophobicContact CG-CG 4.06Å; R21-E28 IonicContact CZ-OE1 3.15Å; R21-E28 IonicContact NE-OE1 2.8Å; R21-E28 PolarHBondContact NE-OE1 3.42Å; R21-E28 IonicContact NH2-OE1 2.68Å; R21-E28 PolarHBondContact NH2-OE1 2.84Å
22D77.6Confident77.4Confident12 Ų1276.3 Ų76.36%0.06436%0.364CS..EExtended strand (participates in β ladder)trans-73.4119.8171.8-165.3-34.1000109F8 R24 D25 N26 Q27F8-D22 HydrophobicContact CD1-CB 3.7Å; F8-D22 HydrophobicContact CE1-CB 3.52Å; F8-D22 VanDerWaalsContact CE1-OD2 3.25Å; F8-D22 WeakPolarHBondContact CE1-OD2 3.44Å; F8-D22 WeakPolarHBondContact CZ-OD2 3.29Å; D22-R24 PolarHBondContact O-N 2.86Å; D22-R24 VanDerWaalsContact OD1-CB 3.29Å; D22-R24 WeakPolarHBondContact OD1-CB 3.48Å; D22-R24 WeakPolarHBondContact OD1-CG 3.25Å; D22-R24 IonicContact OD1-CZ 2.58Å; D22-R24 PolarHBondContact OD1-N 2.89Å; D22-R24 IonicContact OD1-NE 3.82Å; D22-R24 PolarHBondContact OD1-NE 2.71Å; D22-R24 IonicContact OD1-NH2 3.52Å; D22-R24 IonicContact OD2-CZ 3.59Å; D22-R24 IonicContact OD2-NE 2.74Å; D22-R24 PolarHBondContact OD2-NE 3.35Å; D22-R24 IonicContact OD2-NH2 3.79Å; D22-R24 PolarHBondContact OD2-NH2 2.95Å; D22-D25 WeakPolarHBondContact CB-OD1 3.38Å; D22-N26 WeakPolarHBondContact O-CA 3.47Å; D22-N26 PolarHBondContact O-N 3.29Å; D22-Q27 PolarHBondContact N-O 3.33Å
23N78.4Confident77Confident76 Ų7679.3 Ų79.341%0.40638%0.382SS..THydrogen-bonded Turntrans-71.9-10.5-176.9-61.4-26.9000112.4P7 T9 R21P7-N23 WeakPolarHBondContact O-CB 3.45Å; P7-N23 VanDerWaalsContact O-CG 3.27Å; P7-N23 PolarHBondContact O-N 3.13Å; P7-N23 PolarHBondContact O-ND2 2.83Å; T9-N23 PolarHBondContact OG1-ND2 3.28Å; T9-N23 VanDerWaalsContact OG1-ND2 3.1Å; T9-N23 PolarHBondContact OG1-OD1 2.86Å; R21-N23 PolarHBondContact O-N 2.78Å
24R75Confident76.6Confident178 Ų17878.3 Ų78.367%0.67238%0.376SS*.THydrogen-bonded Turntrans-82.8-37.1-178.3-63.4172.4-70.1177.91.1112.7P7 D22P7-R24 HydrophobicContact CB-CG 4.15Å; D22-R24 PolarHBondContact O-N 2.86Å; D22-R24 VanDerWaalsContact OD1-CB 3.29Å; D22-R24 WeakPolarHBondContact OD1-CB 3.48Å; D22-R24 WeakPolarHBondContact OD1-CG 3.25Å; D22-R24 IonicContact OD1-CZ 2.58Å; D22-R24 PolarHBondContact OD1-N 2.89Å; D22-R24 IonicContact OD1-NE 3.82Å; D22-R24 PolarHBondContact OD1-NE 2.71Å; D22-R24 IonicContact OD1-NH2 3.52Å; D22-R24 IonicContact OD2-CZ 3.59Å; D22-R24 IonicContact OD2-NE 2.74Å; D22-R24 PolarHBondContact OD2-NE 3.35Å; D22-R24 IonicContact OD2-NH2 3.79Å; D22-R24 PolarHBondContact OD2-NH2 2.95Å
25D78.8Confident76.5Confident80 Ų8078.1 Ų78.143%0.42837%0.368SS..THydrogen-bonded Turntrans-132.55.1-175.967.9-1.2000114.1D22 Q27D22-D25 WeakPolarHBondContact CB-OD1 3.38Å; D25-Q27 PolarHBondContact O-N 3.09Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.48Å; D25-Q27 PolarHBondContact OD1-N 3.1Å; D25-Q27 VanDerWaalsContact OD1-N 3.09Å; D25-Q27 PolarHBondContact OD2-NE2 2.76Å
26N76.4Confident76.7Confident116 Ų11672.9 Ų72.962%0.6235%0.349SS*.  trans5819.8-177.6-73.6-35000114.7D22D22-N26 WeakPolarHBondContact O-CA 3.47Å; D22-N26 PolarHBondContact O-N 3.29Å
27Q74.1Confident76.6Confident101 Ų10177 Ų7747%0.47237%0.374SS..  trans-71.5139.2171.7-69.9-170.451.800111R21 D22 D25 F29R21-Q27 CarbonylContact C-O 3.58Å; R21-Q27 WeakPolarHBondContact CA-O 3.39Å; D22-Q27 PolarHBondContact N-O 3.33Å; D25-Q27 PolarHBondContact O-N 3.09Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.48Å; D25-Q27 PolarHBondContact OD1-N 3.1Å; D25-Q27 VanDerWaalsContact OD1-N 3.09Å; D25-Q27 PolarHBondContact OD2-NE2 2.76Å; Q27-F29 HydrophobicContact CB-CE2 3.64Å; Q27-F29 HydrophobicContact CB-CZ 3.79Å
28E80.5Confident76.3Confident100 Ų10078.7 Ų78.747%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-112.6132.2-179.7-62.8-173.1163.700110.7I19 A20 R21I19-E28 HydrophobicContact CD1-CB 4.44Å; I19-E28 HydrophobicContact CD1-CG 4.31Å; I19-E28 WeakPolarHBondContact CD1-OE2 3.38Å; A20-E28 WeakPolarHBondContact O-CA 3.33Å; R21-E28 HydrophobicContact CB-CG 4.21Å; R21-E28 HydrophobicContact CG-CG 4.06Å; R21-E28 IonicContact CZ-OE1 3.15Å; R21-E28 IonicContact NE-OE1 2.8Å; R21-E28 PolarHBondContact NE-OE1 3.42Å; R21-E28 IonicContact NH2-OE1 2.68Å; R21-E28 PolarHBondContact NH2-OE1 2.84Å
29F78.9Confident75.9Confident109 Ų10982.9 Ų82.948%0.47841%0.414SS..EExtended strand (participates in β ladder)trans-126.3142.6177.1-54.3-86000109.6I19 A20 Q27 F31I19-F29 CarbonylContact C-O 3.16Å; I19-F29 VanDerWaalsContact CA-O 3.27Å; I19-F29 WeakPolarHBondContact CA-O 3.47Å; I19-F29 WeakPolarHBondContact CB-O 3.45Å; A20-F29 PolarHBondContact N-O 3.3Å; A20-F29 PolarHBondContact O-N 2.96Å; Q27-F29 HydrophobicContact CB-CE2 3.64Å; Q27-F29 HydrophobicContact CB-CZ 3.79Å; F29-F31 PolarHBondContact O-N 3.16Å; F29-F31 VanDerWaalsContact O-N 3.13Å
30V78.8Confident75.1Confident82 Ų8282.1 Ų82.150%0.49741%0.41SS..EExtended strand (participates in β ladder)trans-69.4112.8173.6-178.30000108.4E33V30-E33 HydrophobicContact CG1-CG 3.75Å
31F74.1Confident74.7Confident101 Ų10183.5 Ų83.544%0.44342%0.421SS..EExtended strand (participates in β ladder)trans-82.5-40.6178.7-177.7-96.4000110.9L10 V18 A20 F29 I43 V47L10-F31 HydrophobicContact CD1-CD1 4.45Å; L10-F31 HydrophobicContact CD1-CE1 4.23Å; L10-F31 HydrophobicContact CD1-CZ 4.26Å; L10-F31 HydrophobicContact CD2-CB 3.8Å; L10-F31 HydrophobicContact CD2-CD1 3.92Å; L10-F31 HydrophobicContact CD2-CD2 3.69Å; L10-F31 HydrophobicContact CD2-CE1 4.41Å; L10-F31 HydrophobicContact CD2-CE2 4.21Å; L10-F31 HydrophobicContact CD2-CG 3.52Å; V18-F31 HydrophobicContact CG1-CB 4.39Å; V18-F31 HydrophobicContact CG1-CD1 4.1Å; V18-F31 WeakPolarHBondContact O-CA 3.44Å; V18-F31 WeakPolarHBondContact O-CB 3.43Å; V18-F31 PolarHBondContact O-N 3.1Å; A20-F31 HydrophobicContact CB-CB 4.19Å; A20-F31 HydrophobicContact CB-CD2 4.31Å; F29-F31 PolarHBondContact O-N 3.16Å; F29-F31 VanDerWaalsContact O-N 3.13Å; F31-I43 HydrophobicContact CD1-CG2 4.29Å; F31-I43 HydrophobicContact CE1-CG2 3.85Å; F31-V47 HydrophobicContact CE1-CG2 4.27Å; F31-V47 HydrophobicContact CZ-CG2 4.15Å
32A77.1Confident74.2Confident24 Ų2485.2 Ų85.220%0.19844%0.436CS..EExtended strand (participates in β ladder)trans-155.2130.9172.700000111.2V18 I43V18-A32 HydrophobicContact CB-CB 4.42Å; V18-A32 PolarHBondContact N-O 2.92Å; V18-A32 PolarHBondContact O-N 2.75Å; A32-I43 HydrophobicContact CB-CD1 4.08Å
33E73.5Confident73.7Confident148 Ų14886.7 Ų86.769%0.69244%0.444SS*.  trans-78.8118169.2-66.1-175.5177.800109.6N17 V30N17-E33 WeakPolarHBondContact OD1-CA 3.36Å; V30-E33 HydrophobicContact CG1-CG 3.75Å
34C70.4Confident73.4Confident13 Ų1383.6 Ų83.69%0.08843%0.427CS..  trans-155.5106-173.1-168.60000113G16 N17 S36 I39G16-C34 CarbonylContact C-O 3.57Å; N17-C34 PolarHBondContact OD1-N 2.72Å; C34-S36 VanDerWaalsContact C-N 3.27Å; C34-S36 PolarHBondContact O-N 3.34Å; C34-I39 VanDerWaalsContact SG-CB 3.54Å; C34-I39 WeakPolarHBondContact SG-CG2 3.43Å
35Y73.5Confident73.3Confident190 Ų19077.5 Ų77.575%0.74541%0.414SS*.  trans-73.8-16.5179-58.6-80.8000113.8
36S72.3Confident72.8Confident49 Ų4976.4 Ų76.434%0.34342%0.416SS..  trans-92.7121-175.1176.50000112.7C34 A38 I39 A40C34-S36 VanDerWaalsContact C-N 3.27Å; C34-S36 PolarHBondContact O-N 3.34Å; S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 3.46Å; S36-I39 PolarHBondContact O-N 3.5Å; S36-A40 PolarHBondContact O-N 3.39Å
37T72.2Confident72.4Confident91 Ų9172.1 Ų72.156%0.55840%0.395SS*.Hα-helixtrans-59.1-37.3177.3-46.90000112.7R12 A41R12-T37 PolarHBondContact NH2-OG1 3.01Å; R12-T37 VanDerWaalsContact NH2-OG1 3.13Å; T37-A41 PolarHBondContact O-N 3.44Å
38A71.5Confident72.2Confident67 Ų6769.3 Ų69.355%0.55439%0.385SS*.Hα-helixtrans-68.6-41.3-17900000111.9S36 A41 L42S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 3.46Å; A38-A41 PolarHBondContact O-N 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.29Å; A38-L42 PolarHBondContact O-N 3.01Å; A38-L42 VanDerWaalsContact O-N 3.11Å
39I67Low71.3Confident88 Ų8869.2 Ų69.245%0.45139%0.386SS..Hα-helixtrans-69.7-41.5178.3-61.7176.3000110.1C34 S36 A41 L42 I43C34-I39 VanDerWaalsContact SG-CB 3.54Å; C34-I39 WeakPolarHBondContact SG-CG2 3.43Å; S36-I39 PolarHBondContact O-N 3.5Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 3.29Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 PolarHBondContact O-N 3.39Å; I39-L42 VanDerWaalsContact O-N 3.13Å; I39-I43 HydrophobicContact CG2-CD1 4.1Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.43Å
40A66.3Low70.3Confident0 Ų071.7 Ų71.70%039%0.394CS..Hα-helixtrans-59.1-40174.700000112.2V18 S36 I43 L44V18-A40 HydrophobicContact CG2-CB 3.9Å; S36-A40 PolarHBondContact O-N 3.39Å; A40-I43 PolarHBondContact O-N 2.95Å; A40-L44 WeakPolarHBondContact O-CG 3.36Å; A40-L44 PolarHBondContact O-N 3.48Å
41A71.5Confident69.4Low40 Ų4069.8 Ų69.833%0.33138%0.383SS..Hα-helixtrans-64.5-39175.300000112.5T37 A38 I39 L44 A45T37-A41 PolarHBondContact O-N 3.44Å; A38-A41 PolarHBondContact O-N 3.26Å; I39-A41 VanDerWaalsContact C-N 3.29Å; I39-A41 PolarHBondContact O-N 3.29Å; A41-L44 PolarHBondContact O-N 3.21Å; A41-A45 WeakPolarHBondContact O-CB 3.36Å; A41-A45 PolarHBondContact O-N 2.93Å
42L69.7Low68.6Low125 Ų12570.6 Ų70.665%0.65439%0.388SS*.Hα-helixtrans-64.1-43.2174.9-72.3170000112.1A38 I39 A45 A46A38-L42 WeakPolarHBondContact O-CG 3.29Å; A38-L42 PolarHBondContact O-N 3.01Å; A38-L42 VanDerWaalsContact O-N 3.11Å; I39-L42 WeakPolarHBondContact O-CB 3.39Å; I39-L42 PolarHBondContact O-N 3.39Å; I39-L42 VanDerWaalsContact O-N 3.13Å; L42-A45 PolarHBondContact O-N 3.11Å; L42-A46 WeakPolarHBondContact O-CB 3.4Å; L42-A46 PolarHBondContact O-N 2.96Å
43I67.5Low67.5Low43 Ų4376 Ų7622%0.22140%0.403CS..Hα-helixtrans-61.5-49177.1-66.9168.7000110F31 A32 I39 A40 A45 A46 V47F31-I43 HydrophobicContact CD1-CG2 4.29Å; F31-I43 HydrophobicContact CE1-CG2 3.85Å; A32-I43 HydrophobicContact CB-CD1 4.08Å; I39-I43 HydrophobicContact CG2-CD1 4.1Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 3.43Å; A40-I43 PolarHBondContact O-N 2.95Å; I43-A45 PolarHBondContact O-N 3.16Å; I43-A46 PolarHBondContact O-N 3.33Å; I43-V47 WeakPolarHBondContact O-CG2 3.37Å; I43-V47 PolarHBondContact O-N 3.08Å
44L72.7Confident66Low11 Ų1175.5 Ų75.56%0.05840%0.399CS..Hα-helixtrans-58.9-47.9178.7-72.7170.1000111.3M1 C3 L10 V18 A40 A41 A46 V47 T48M1-L44 HydrophobicContact CB-CD1 3.75Å; C3-L44 HydrophobicContact CB-CD2 4.31Å; L10-L44 HydrophobicContact CB-CD2 3.89Å; V18-L44 HydrophobicContact CG1-CD2 4.28Å; A40-L44 WeakPolarHBondContact O-CG 3.36Å; A40-L44 PolarHBondContact O-N 3.48Å; A41-L44 PolarHBondContact O-N 3.21Å; L44-A46 PolarHBondContact O-N 3.06Å; L44-V47 PolarHBondContact O-N 2.98Å; L44-T48 PolarHBondContact O-N 3.44Å; L44-T48 PolarHBondContact O-OG1 3.11Å
45A71.9Confident64.7Low49 Ų4978.8 Ų78.841%0.40543%0.427SS..Hα-helixtrans-62.7-40.7178.700000112.9A41 L42 I43 V47 T48 L49A41-A45 WeakPolarHBondContact O-CB 3.36Å; A41-A45 PolarHBondContact O-N 2.93Å; L42-A45 PolarHBondContact O-N 3.11Å; I43-A45 PolarHBondContact O-N 3.16Å; A45-V47 VanDerWaalsContact C-N 3.33Å; A45-V47 PolarHBondContact O-N 3.34Å; A45-T48 PolarHBondContact O-N 3.45Å; A45-L49 VanDerWaalsContact O-CG 3.29Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.49Å
46A69.6Low62.8Low57 Ų5779.3 Ų79.347%0.47143%0.429SS..Hα-helixtrans-62.5-41.2177.200000111.6L42 I43 L44 Y50L42-A46 WeakPolarHBondContact O-CB 3.4Å; L42-A46 PolarHBondContact O-N 2.96Å; I43-A46 PolarHBondContact O-N 3.33Å; L44-A46 PolarHBondContact O-N 3.06Å; A46-Y50 PolarHBondContact O-N 3.03Å; A46-Y50 VanDerWaalsContact O-N 3.08Å
47V67.9Low61.2Low27 Ų2784 Ų8416%0.16445%0.445CS..Hα-helixtrans-70.2-42.5178.2179.50000111.5L5 L10 F31 I43 L44 A45 L49 Y50 T51L5-V47 HydrophobicContact CD1-CG1 3.78Å; L5-V47 HydrophobicContact CD2-CG1 3.44Å; L5-V47 VanDerWaalsContact CD2-CG1 3.44Å; L5-V47 HydrophobicContact CG-CG1 4.26Å; L10-V47 HydrophobicContact CD1-CB 3.94Å; L10-V47 HydrophobicContact CD1-CG1 3.6Å; L10-V47 HydrophobicContact CD1-CG2 3.92Å; F31-V47 HydrophobicContact CE1-CG2 4.27Å; F31-V47 HydrophobicContact CZ-CG2 4.15Å; I43-V47 WeakPolarHBondContact O-CG2 3.37Å; I43-V47 PolarHBondContact O-N 3.08Å; L44-V47 PolarHBondContact O-N 2.98Å; A45-V47 VanDerWaalsContact C-N 3.33Å; A45-V47 PolarHBondContact O-N 3.34Å; V47-L49 VanDerWaalsContact C-N 3.3Å; V47-L49 PolarHBondContact O-N 3.27Å; V47-Y50 PolarHBondContact O-N 3.45Å; V47-T51 PolarHBondContact O-N 2.91Å; V47-T51 PolarHBondContact O-OG1 3.32Å
48T68.9Low59.4Low42 Ų4289 Ų8926%0.25846%0.459SS..Hα-helixtrans-54.8-47.6173.6-52.40000111.1C3 L44 A45 Y50 T51 E52C3-T48 PolarHBondContact SG-OG1 3.13Å; L44-T48 PolarHBondContact O-N 3.44Å; L44-T48 PolarHBondContact O-OG1 3.11Å; A45-T48 PolarHBondContact O-N 3.45Å; T48-Y50 VanDerWaalsContact C-N 3.28Å; T48-Y50 PolarHBondContact O-N 3.3Å; T48-T51 PolarHBondContact O-N 3.02Å; T48-T51 PolarHBondContact O-OG1 3.05Å; T48-T51 VanDerWaalsContact O-OG1 3.11Å; T48-E52 HydrophobicContact CG2-CG 4.41Å; T48-E52 WeakPolarHBondContact CG2-OE1 3.32Å; T48-E52 WeakPolarHBondContact O-CB 3.33Å; T48-E52 VanDerWaalsContact O-CG 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.44Å; T48-E52 PolarHBondContact O-N 3.39Å
49L62.4Low57.5Low97 Ų9791.4 Ų91.451%0.50846%0.463SS..Hα-helixtrans-61.2-37.2177.3-73.2168.2000112.3A45 V47 R53A45-L49 VanDerWaalsContact O-CG 3.29Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.49Å; V47-L49 VanDerWaalsContact C-N 3.3Å; V47-L49 PolarHBondContact O-N 3.27Å; L49-R53 WeakPolarHBondContact O-CB 3.44Å; L49-R53 PolarHBondContact O-N 3.04Å
50Y58Low56Low161 Ų16193.2 Ų93.263%0.63148%0.48SS*.Hα-helixtrans-72.2-37.5-179-150.3-88.4000112.3A46 V47 T48 R53 K54A46-Y50 PolarHBondContact O-N 3.03Å; A46-Y50 VanDerWaalsContact O-N 3.08Å; V47-Y50 PolarHBondContact O-N 3.45Å; T48-Y50 VanDerWaalsContact C-N 3.28Å; T48-Y50 PolarHBondContact O-N 3.3Å; Y50-R53 PolarHBondContact O-N 3.34Å; Y50-K54 PolarHBondContact O-N 2.81Å
51T59.4Low54.5Low43 Ų4396.4 Ų96.426%0.26451%0.506SS..Hα-helixtrans-75.4-36.8176.348.10000112.9L5 V47 T48 R53 K54 A55L5-T51 HydrophobicContact CB-CG2 4.25Å; L5-T51 HydrophobicContact CD2-CG2 3.32Å; L5-T51 HydrophobicContact CG-CG2 4.27Å; V47-T51 PolarHBondContact O-N 2.91Å; V47-T51 PolarHBondContact O-OG1 3.32Å; T48-T51 PolarHBondContact O-N 3.02Å; T48-T51 PolarHBondContact O-OG1 3.05Å; T48-T51 VanDerWaalsContact O-OG1 3.11Å; T51-R53 VanDerWaalsContact C-N 3.27Å; T51-R53 PolarHBondContact O-N 2.9Å; T51-K54 PolarHBondContact O-N 3.3Å; T51-A55 PolarHBondContact O-N 3.39Å
52E58.1Low52.6Low118 Ų118100.8 Ų100.855%0.55153%0.529SS*.Hα-helixtrans-62-36.7169.9-72.6177.1177.900111.3T48 K54 A55T48-E52 HydrophobicContact CG2-CG 4.41Å; T48-E52 WeakPolarHBondContact CG2-OE1 3.32Å; T48-E52 WeakPolarHBondContact O-CB 3.33Å; T48-E52 VanDerWaalsContact O-CG 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.44Å; T48-E52 PolarHBondContact O-N 3.39Å; E52-K54 PolarHBondContact O-N 2.97Å; E52-A55 WeakPolarHBondContact O-CB 3.46Å; E52-A55 PolarHBondContact O-N 3.36Å
53R52.8Low50.8Low137 Ų137103 Ų10352%0.51754%0.536SS..Hα-helixtrans-64.6-38.7175.2-120.5-179-167.6-167.40.5113.4L49 Y50 T51 A55 Y56 E57 E263L49-R53 WeakPolarHBondContact O-CB 3.44Å; L49-R53 PolarHBondContact O-N 3.04Å; Y50-R53 PolarHBondContact O-N 3.34Å; T51-R53 VanDerWaalsContact C-N 3.27Å; T51-R53 PolarHBondContact O-N 2.9Å; R53-A55 PolarHBondContact O-N 3.13Å; R53-Y56 WeakPolarHBondContact O-CA 3.48Å; R53-Y56 WeakPolarHBondContact O-CB 3.42Å; R53-Y56 PolarHBondContact O-N 2.96Å; R53-E57 PolarHBondContact O-N 3.32Å; R53-E57 VanDerWaalsContact O-N 3.16Å; R53-E263 IonicContact CZ-OE1 2.76Å; R53-E263 IonicContact NH2-OE1 2.71Å; R53-E263 PolarHBondContact NH2-OE1 2.87Å
54K43.3Very low49Very low138 Ų138112.2 Ų112.260%0.657%0.568SS**Hα-helixtrans-67.5-22.8177.3-84.8-168.3174.6-177.70113.2Y50 T51 E52Y50-K54 PolarHBondContact O-N 2.81Å; T51-K54 PolarHBondContact O-N 3.3Å; E52-K54 PolarHBondContact O-N 2.97Å
55A43.1Very low47.1Very low82 Ų82117.4 Ų117.468%0.67860%0.603SS**Hα-helixtrans-69.7-25.6168.600000112.2T51 E52 R53T51-A55 PolarHBondContact O-N 3.39Å; E52-A55 WeakPolarHBondContact O-CB 3.46Å; E52-A55 PolarHBondContact O-N 3.36Å; R53-A55 PolarHBondContact O-N 3.13Å
56Y33.7Very low45Very low201 Ų201117.9 Ų117.979%0.78861%0.612SS**Hα-helixtrans-92.1-13.7-179.2-116.5-88.1000114.8R53 K58R53-Y56 WeakPolarHBondContact O-CA 3.48Å; R53-Y56 WeakPolarHBondContact O-CB 3.42Å; R53-Y56 PolarHBondContact O-N 2.96Å; Y56-K58 PolarHBondContact O-N 2.73Å; Y56-K58 VanDerWaalsContact O-N 3.1Å
57E38.2Very low43.4Very low147 Ų147121.5 Ų121.569%0.68763%0.631SS**THydrogen-bonded Turntrans-74.37.8178.2-79.2-176164.300114.4R53R53-E57 PolarHBondContact O-N 3.32Å; R53-E57 VanDerWaalsContact O-N 3.16Å
58K34.5Very low41.6Very low195 Ų195123.6 Ų123.685%0.84866%0.658SS**THydrogen-bonded Turntrans-89.16175.5-99.6-173.5179.9-178.30116.3Y56Y56-K58 PolarHBondContact O-N 2.73Å; Y56-K58 VanDerWaalsContact O-N 3.1Å
59D31.5Very low40.1Very low119 Ų119127.1 Ų127.164%0.63668%0.679SS**  trans-149.484.2171.8-145.6-12000114.1A61D59-A61 PolarHBondContact O-N 3.25Å; D59-A61 VanDerWaalsContact O-N 3.1Å
60P35.9Very low38.9Very low125 Ų125130.1 Ų130.181%0.81269%0.693SS**  trans-86.454.9174.736.7-32.8000110.4
61A34.3Very low38.5Very low67 Ų67126 Ų12655%0.55469%0.691SS**  trans-162.478.8173.100000112.1D59D59-A61 PolarHBondContact O-N 3.25Å; D59-A61 VanDerWaalsContact O-N 3.1Å
62T32Very low38.1Very low132 Ų132127.9 Ų127.981%0.8170%0.696SS**  trans176.973.9148.331.40000111.9
63H30.8Very low38Very low172 Ų172127.6 Ų127.680%0.79671%0.705SS**  trans-146.169.1147.4-128.23.1000109.9
64R30Very low38.5Very low236 Ų236125.3 Ų125.389%0.89172%0.715SS**PPolyproline II helixtrans-74.7120.3151.8-80.1-175.8175.2-179.9-1.3106.2G66R64-G66 PolarHBondContact O-N 3.1Å
65P32.6Very low39.5Very low121 Ų121121 Ų12179%0.78670%0.701SS**PPolyproline II helixtrans-59.7127.5169.114.9-12.7000107.3
66G27.7Very low41Very low58 Ų58119.8 Ų119.860%0.59869%0.692SS**PPolyproline II helixtrans-56.7160.8179.400000111.5R64 G68R64-G66 PolarHBondContact O-N 3.1Å; G66-G68 PolarHBondContact O-N 2.67Å
67P36.1Very low42.9Very low134 Ų134114 Ų11487%0.8768%0.677SS**SBendtrans-74.265.9178.333.4-33.3000109.8
68G30.9Very low44.4Very low71 Ų71107.8 Ų107.873%0.73265%0.652SS**  trans-97.775.4161.900000106.8G66 M70G66-G68 PolarHBondContact O-N 2.67Å; G68-M70 VanDerWaalsContact C-N 3.29Å; G68-M70 PolarHBondContact O-N 2.9Å
69T37.1Very low46.4Very low116 Ų116105.7 Ų105.771%0.71265%0.646SS**  trans-63.881.9-174.9-300000110.2A71T69-A71 HydrophobicContact CG2-CB 3.84Å; T69-A71 PolarHBondContact O-N 2.81Å
70M37.4Very low48.9Very low160 Ų160106.8 Ų106.879%0.78865%0.647SS**  trans-69.879.5144.7-73.2-128.7-83.900105.3G68 F72G68-M70 VanDerWaalsContact C-N 3.29Å; G68-M70 PolarHBondContact O-N 2.9Å; M70-F72 PolarHBondContact O-N 2.79Å
71A49.5Very low51.3Low73 Ų73101.7 Ų101.760%0.60362%0.617SS**  trans-60.793.1170.700000105.9T69 P73T69-A71 HydrophobicContact CG2-CB 3.84Å; T69-A71 PolarHBondContact O-N 2.81Å; A71-P73 WeakPolarHBondContact O-CD 3.31Å; A71-P73 VanDerWaalsContact O-N 3.09Å
72F51.6Low53.9Low83 Ų83103.1 Ų103.136%0.36461%0.608SS.*PPolyproline II helixtrans-53.9120.9161.4-69-72.9000105.4M70 A74 N206M70-F72 PolarHBondContact O-N 2.79Å; F72-A74 PolarHBondContact O-N 3.45Å; F72-N206 WeakPolarHBondContact CE1-O 3.37Å; F72-N206 WeakPolarHBondContact CZ-O 3.43Å
73P54.3Low56.7Low112 Ų11296.8 Ų96.873%0.72757%0.57SS**PPolyproline II helixtrans-55.5141.5-175.621.3-31.7000109A71A71-P73 WeakPolarHBondContact O-CD 3.31Å; A71-P73 VanDerWaalsContact O-N 3.09Å
74A63.1Low59.5Low90 Ų9089 Ų8974%0.74453%0.534SS*.PPolyproline II helixtrans-55.5126.1172.500000107.7F72 A76F72-A74 PolarHBondContact O-N 3.45Å; A74-A76 PolarHBondContact O-N 2.91Å
75P65.9Low62.3Low47 Ų4778.5 Ų78.531%0.30550%0.497SS..PPolyproline II helixtrans-60.9140.5-177.920.3-28.7000109.8T77 F94P75-T77 PolarHBondContact O-N 3.5Å; P75-F94 HydrophobicContact CB-CB 4.27Å; P75-F94 HydrophobicContact CB-CD1 3.64Å; P75-F94 HydrophobicContact CB-CE1 4.42Å; P75-F94 HydrophobicContact CB-CG 4.35Å; P75-F94 HydrophobicContact CG-CD1 3.39Å; P75-F94 HydrophobicContact CG-CE1 3.75Å; P75-F94 HydrophobicContact CG-CG 4.24Å
76A73.2Confident65Low57 Ų5773.8 Ų73.847%0.47147%0.466SS..PPolyproline II helixtrans-60.4123.9-178.700000110A74 F94 I95A74-A76 PolarHBondContact O-N 2.91Å; A76-F94 WeakPolarHBondContact O-CA 3.4Å; A76-I95 HydrophobicContact CB-CB 4.27Å; A76-I95 HydrophobicContact CB-CD1 3.9Å; A76-I95 HydrophobicContact CB-CG1 4.19Å; A76-I95 PolarHBondContact O-N 3.39Å
77T74.3Confident67.9Low78 Ų7872.9 Ų72.948%0.47945%0.445SS..EExtended strand (participates in β ladder)trans-83.8118.3178.151.60000109.8P75 R93 F94 Y310P75-T77 PolarHBondContact O-N 3.5Å; T77-R93 CarbonylContact C-O 3.56Å; T77-R93 WeakPolarHBondContact CA-O 3.49Å; T77-F94 HydrophobicContact CG2-CD1 4.14Å; T77-F94 HydrophobicContact CG2-CE1 3.68Å; T77-F94 HydrophobicContact CG2-CZ 4.24Å; T77-Y310 HydrophobicContact CG2-CE1 4.18Å
78G68.6Low70.3Confident17 Ų1770.4 Ų70.418%0.17542%0.418CS..EExtended strand (participates in β ladder)trans-94.2-171.1169.800000113.1R93G78-R93 PolarHBondContact N-O 3.07Å
79H77.1Confident73.1Confident152 Ų15272.1 Ų72.170%0.70441%0.414SS*.  trans-66.8157.3-176.3-54.9-72.6000113.6R93H79-R93 WeakPolarHBondContact O-CB 3.35Å; H79-R93 WeakPolarHBondContact O-CG 3.47Å; H79-R93 PolarHBondContact O-NE 2.86Å
80E84.7Confident75.5Confident141 Ų14167.5 Ų67.566%0.65939%0.386SS*.  trans-55160.4168.464.6179.3-17300112V90 R93E80-V90 WeakPolarHBondContact CA-O 3.43Å; E80-V90 WeakPolarHBondContact CB-O 3.02Å; E80-R93 PolarHBondContact O-NE 3.07Å; E80-R93 PolarHBondContact O-NH2 2.79Å
81G86.9Confident77.9Confident19 Ų1963.3 Ų63.320%0.19637%0.37CS..EExtended strand (participates in β ladder)trans148.1-170.2175.800000113T89 V90G81-T89 WeakPolarHBondContact O-CA 3.44Å; G81-V90 PolarHBondContact N-O 3.09Å; G81-V90 PolarHBondContact O-N 3.4Å
82R89Confident79.7Confident96 Ų9662.4 Ų62.436%0.36235%0.353SS..EExtended strand (participates in β ladder)trans-86.3129.8-177.3-158.2175.4-167.3-172.92.9110.2R87 R88R82-R87 WeakPolarHBondContact CG-O 3.49Å; R82-R87 PolarHBondContact NE-O 3.48Å; R82-R88 WeakPolarHBondContact CA-O 3.06Å
83C90.3Very high81.6Confident0 Ų060.2 Ų60.20%034%0.342CS..  trans-69.2127.5172.3177.30000109.9C85 R87 R88 C196C83-C85 PolarHBondContact O-N 2.95Å; C83-R87 WeakPolarHBondContact O-CA 3.29Å; C83-R87 PolarHBondContact O-N 3.12Å; C83-R88 PolarHBondContact N-O 3.17Å; C83-C196 HydrophobicContact CB-CB 3.93Å; C83-C196 PolarHBondContact SG-N 3.41Å; C83-C196 VanDerWaalsContact SG-N 3.36Å; C83-C196 VanDerWaalsContact SG-SG 3.69Å
84P88.3Confident83.4Confident7 Ų755.4 Ų55.45%0.04531%0.31CS..THydrogen-bonded Turntrans-66.9-24.2179.528.5-37.1000112.4R87 R165 E189 H194 L195P84-R87 PolarHBondContact O-NE 3.2Å; P84-R165 PolarHBondContact O-NH2 3.01Å; P84-E189 VanDerWaalsContact CG-OE2 3.29Å; P84-E189 WeakPolarHBondContact CG-OE2 3.48Å; P84-H194 WeakPolarHBondContact CD-O 3.23Å; P84-L195 HydrophobicContact CG-CD2 3.46Å; P84-L195 VanDerWaalsContact CG-CD2 3.46Å
85C89.6Confident84.7Confident17 Ų1753.3 Ų53.312%0.11529%0.286CS..THydrogen-bonded Turntrans-79.9-51.9-177.7-58.40000113.7C83 L102 H166 L195 C199 H203C83-C85 PolarHBondContact O-N 2.95Å; C85-L102 WeakPolarHBondContact SG-CD2 3.39Å; C85-H166 PolarHBondContact O-CE1 2.88Å; C85-H166 PolarHBondContact O-NE2 2.85Å; C85-L195 VanDerWaalsContact SG-CD2 3.54Å; C85-C199 HydrophobicContact CB-CB 3.67Å; C85-C199 WeakPolarHBondContact CB-SG 3.4Å; C85-H203 PolarHBondContact SG-NE2 3.16Å; C85-H203 VanDerWaalsContact SG-NE2 3.45Å
86C89.5Confident85.8Confident21 Ų2152.1 Ų52.114%0.14228%0.276CS..THydrogen-bonded Turntrans-109.6-1.4-175.568.80000113.9R88 C199 V227C86-R88 PolarHBondContact O-N 2.56Å; C86-R88 VanDerWaalsContact O-N 3.09Å; C86-C199 VanDerWaalsContact SG-SG 3.69Å; C86-V227 HydrophobicContact CB-CG1 4Å
87R87.6Confident86.6Confident39 Ų3955.8 Ų55.815%0.14728%0.284CS..  trans6116.1178.2-55-57.4-175164.11.2115.2R82 C83 P84 R165 L185R82-R87 WeakPolarHBondContact CG-O 3.49Å; R82-R87 PolarHBondContact NE-O 3.48Å; C83-R87 WeakPolarHBondContact O-CA 3.29Å; C83-R87 PolarHBondContact O-N 3.12Å; P84-R87 PolarHBondContact O-NE 3.2Å; R87-R165 VanDerWaalsContact CZ-NH2 3.3Å; R87-L185 VanDerWaalsContact CD-CD2 3.46Å; R87-L185 HydrophobicContact CG-CD2 3.91Å; R87-L185 VanDerWaalsContact CZ-O 3.3Å; R87-L185 PolarHBondContact NH1-O 3.33Å; R87-L185 PolarHBondContact NH2-O 2.72Å
88R87.1Confident87.1Confident83 Ų8357.5 Ų57.531%0.31329%0.29SS..  trans-79.4133.4173-167.5-179.6-172168.616.8110.7R82 C83 C86 V90 A231 Q235R82-R88 WeakPolarHBondContact CA-O 3.06Å; C83-R88 PolarHBondContact N-O 3.17Å; C86-R88 PolarHBondContact O-N 2.56Å; C86-R88 VanDerWaalsContact O-N 3.09Å; R88-V90 HydrophobicContact CG-CG1 4.18Å; R88-A231 VanDerWaalsContact NH1-CB 3.31Å; R88-Q235 VanDerWaalsContact CZ-NE2 3.35Å
89T89.3Confident88Confident106 Ų10657.2 Ų57.265%0.6529%0.285SS*.EExtended strand (participates in β ladder)trans-75.6127.5166.7-51.40000109.1G81G81-T89 WeakPolarHBondContact O-CA 3.44Å
90V89.2Confident88.2Confident20 Ų2056.1 Ų56.112%0.12128%0.275CS..EExtended strand (participates in β ladder)trans-132.7149.1-178.8-66.70000110.1E80 G81 R88 H92 R93 C196E80-V90 WeakPolarHBondContact CA-O 3.43Å; E80-V90 WeakPolarHBondContact CB-O 3.02Å; G81-V90 PolarHBondContact N-O 3.09Å; G81-V90 PolarHBondContact O-N 3.4Å; R88-V90 HydrophobicContact CG-CG1 4.18Å; V90-H92 VanDerWaalsContact C-N 3.28Å; V90-H92 WeakPolarHBondContact CG2-O 3.1Å; V90-R93 HydrophobicContact CG2-CG 3.58Å; V90-C196 HydrophobicContact CB-CB 4.45Å; V90-C196 HydrophobicContact CG1-CB 3.78Å; V90-C196 HydrophobicContact CG2-CB 3.98Å
91T87Confident88.2Confident72 Ų7251.2 Ų51.244%0.44226%0.255SS..SBendtrans-74.3-22.2176.450.20000112.4
92H87.9Confident88.3Confident54 Ų5450.6 Ų50.625%0.2525%0.247CC..  trans-131.6127.4179-57.6-71.2000110.5V90 Y310V90-H92 VanDerWaalsContact C-N 3.28Å; V90-H92 WeakPolarHBondContact CG2-O 3.1Å; H92-Y310 HydrophobicContact CB-CD1 4.26Å
93R90.7Very high88.3Confident37 Ų3748.2 Ų48.214%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-112.3155.8168.4-66.2-173.2-71.2167.3-5.4110T77 G78 H79 E80 V90 H194 L195T77-R93 CarbonylContact C-O 3.56Å; T77-R93 WeakPolarHBondContact CA-O 3.49Å; G78-R93 PolarHBondContact N-O 3.07Å; H79-R93 WeakPolarHBondContact O-CB 3.35Å; H79-R93 WeakPolarHBondContact O-CG 3.47Å; H79-R93 PolarHBondContact O-NE 2.86Å; E80-R93 PolarHBondContact O-NE 3.07Å; E80-R93 PolarHBondContact O-NH2 2.79Å; V90-R93 HydrophobicContact CG2-CG 3.58Å; R93-H194 HydrophobicContact CB-CB 4.07Å; R93-H194 WeakPolarHBondContact CD-O 3.25Å; R93-L195 CarbonylContact C-O 3.53Å; R93-L195 VanDerWaalsContact CA-O 3.23Å; R93-L195 WeakPolarHBondContact CA-O 3.33Å
94F91.3Very high88.2Confident10 Ų1052.7 Ų52.74%0.04426%0.262CS..EExtended strand (participates in β ladder)trans-118132.8-177.7-65.6-86.8000109.1P75 A76 T77 L195 A197 H200 Y310P75-F94 HydrophobicContact CB-CB 4.27Å; P75-F94 HydrophobicContact CB-CD1 3.64Å; P75-F94 HydrophobicContact CB-CE1 4.42Å; P75-F94 HydrophobicContact CB-CG 4.35Å; P75-F94 HydrophobicContact CG-CD1 3.39Å; P75-F94 HydrophobicContact CG-CE1 3.75Å; P75-F94 HydrophobicContact CG-CG 4.24Å; A76-F94 WeakPolarHBondContact O-CA 3.4Å; T77-F94 HydrophobicContact CG2-CD1 4.14Å; T77-F94 HydrophobicContact CG2-CE1 3.68Å; T77-F94 HydrophobicContact CG2-CZ 4.24Å; F94-L195 PolarHBondContact N-O 3.28Å; F94-L195 PolarHBondContact O-N 3.12Å; F94-A197 HydrophobicContact CD2-CB 3.95Å; F94-A197 HydrophobicContact CE2-CB 3.46Å; F94-A197 VanDerWaalsContact CE2-CB 3.46Å; F94-A197 HydrophobicContact CZ-CB 4.22Å; F94-H200 HydrophobicContact CB-CB 4.04Å; F94-Y310 HydrophobicContact CE1-CE1 4.39Å; F94-Y310 HydrophobicContact CE2-CD1 4.24Å; F94-Y310 HydrophobicContact CE2-CG 4.5Å; F94-Y310 AromaticContact CZ-CD1 3.56Å; F94-Y310 HydrophobicContact CZ-CD1 3.56Å; F94-Y310 HydrophobicContact CZ-CD2 4.32Å; F94-Y310 AromaticContact CZ-CE1 3.82Å; F94-Y310 HydrophobicContact CZ-CE1 3.82Å; F94-Y310 AromaticContact CZ-CG 3.82Å; F94-Y310 HydrophobicContact CZ-CG 3.82Å
95I91.1Very high88.3Confident47 Ų4754.5 Ų54.524%0.24127%0.27CS..EExtended strand (participates in β ladder)trans-76.3126.6-177.4-56.2-178000109A76 E97 P192A76-I95 HydrophobicContact CB-CB 4.27Å; A76-I95 HydrophobicContact CB-CD1 3.9Å; A76-I95 HydrophobicContact CB-CG1 4.19Å; A76-I95 PolarHBondContact O-N 3.39Å; I95-E97 WeakPolarHBondContact CG2-OE1 3.4Å; I95-P192 HydrophobicContact CG2-CB 3.72Å; I95-P192 HydrophobicContact CG2-CG 4.41Å
96L89.7Confident88.4Confident21 Ų2154 Ų5411%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-122.1107.4170.8-179.667.5000108.4D98 L102 F193 L195 H203L96-D98 VanDerWaalsContact C-N 3.31Å; L96-D98 PolarHBondContact O-N 2.89Å; L96-L102 HydrophobicContact CD2-CD1 4.29Å; L96-F193 HydrophobicContact CB-CB 4.37Å; L96-F193 PolarHBondContact N-O 3.44Å; L96-F193 PolarHBondContact O-N 3.1Å; L96-L195 HydrophobicContact CB-CD1 4.21Å; L96-L195 HydrophobicContact CD2-CD1 3.65Å; L96-H203 HydrophobicContact CD2-CB 3.47Å; L96-H203 VanDerWaalsContact CD2-CB 3.47Å
97E89.5Confident88.6Confident135 Ų13555.7 Ų55.763%0.63127%0.274SS*.SBendtrans-58.2-42.1-173.6-64-56.5147.800113I95 P191I95-E97 WeakPolarHBondContact CG2-OE1 3.4Å; E97-P191 WeakPolarHBondContact O-CB 3.39Å
98D85.1Confident88.9Confident114 Ų11456.7 Ų56.761%0.6129%0.285SS*.  trans-147.7147.3-179.5-165.811.1000111.6L96L96-D98 VanDerWaalsContact C-N 3.31Å; L96-D98 PolarHBondContact O-N 2.89Å
99S86.2Confident89.2Confident10 Ų1053 Ų537%0.0727%0.272CS..  trans-161.4103.5177.5179.20000109.2P101 L102 Q103 H203S99-P101 VanDerWaalsContact C-CD 3.48Å; S99-P101 VanDerWaalsContact C-N 3.32Å; S99-L102 PolarHBondContact O-N 3.41Å; S99-L102 WeakPolarHBondContact OG-CG 3.35Å; S99-Q103 PolarHBondContact O-N 3.14Å; S99-H203 PolarHBondContact OG-ND1 2.86Å
100W82.9Confident89.5Confident130 Ų13053.6 Ų53.649%0.49226%0.262SS..Hα-helixtrans-51.8-43178.9-175.287.3000113.9L102 Q103 Q104W100-L102 VanDerWaalsContact C-N 3.31Å; W100-L102 PolarHBondContact O-N 3.27Å; W100-Q103 PolarHBondContact O-N 3.33Å; W100-Q104 VanDerWaalsContact CH2-OE1 3.25Å; W100-Q104 WeakPolarHBondContact O-CB 3.34Å; W100-Q104 PolarHBondContact O-N 2.97Å
101P84Confident89.8Confident37 Ų3758.1 Ų58.124%0.2429%0.285CS..Hα-helixtrans-61-36.1174.7-2536000114.2S99 M105S99-P101 VanDerWaalsContact C-CD 3.48Å; S99-P101 VanDerWaalsContact C-N 3.32Å; P101-M105 WeakPolarHBondContact O-CB 3.48Å; P101-M105 PolarHBondContact O-N 3.16Å
102L88.3Confident90.2Very high6 Ų655.4 Ų55.43%0.03127%0.269CS..Hα-helixtrans-77-37.5178.5-63.8178.6000111.6C85 L96 S99 W100 Q104 M105 A106 F193 L195C85-L102 WeakPolarHBondContact SG-CD2 3.39Å; L96-L102 HydrophobicContact CD2-CD1 4.29Å; S99-L102 PolarHBondContact O-N 3.41Å; S99-L102 WeakPolarHBondContact OG-CG 3.35Å; W100-L102 VanDerWaalsContact C-N 3.31Å; W100-L102 PolarHBondContact O-N 3.27Å; L102-Q104 VanDerWaalsContact C-N 3.33Å; L102-Q104 PolarHBondContact O-N 3.32Å; L102-M105 HydrophobicContact CD2-CE 3.77Å; L102-M105 PolarHBondContact O-N 2.84Å; L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.38Å; L102-F193 HydrophobicContact CB-CD1 3.9Å; L102-F193 HydrophobicContact CB-CD2 4.18Å; L102-F193 HydrophobicContact CB-CE1 3.57Å; L102-F193 HydrophobicContact CB-CE2 3.9Å; L102-F193 HydrophobicContact CB-CG 4.19Å; L102-F193 HydrophobicContact CB-CZ 3.58Å; L102-F193 HydrophobicContact CD1-CB 3.97Å; L102-F193 HydrophobicContact CD1-CD1 4.01Å; L102-F193 HydrophobicContact CD1-CD2 4.05Å; L102-F193 HydrophobicContact CD1-CG 3.73Å; L102-L195 HydrophobicContact CD1-CD1 3.83Å; L102-L195 HydrophobicContact CD1-CD2 3.95Å; L102-L195 HydrophobicContact CD1-CG 4.43Å
103Q90.4Very high90.6Very high46 Ų4655 Ų5522%0.21527%0.268CS..Hα-helixtrans-58.6-48.2171.5-171.558.446.800110.5S99 W100 M105 A106 D107 R110S99-Q103 PolarHBondContact O-N 3.14Å; W100-Q103 PolarHBondContact O-N 3.33Å; Q103-M105 VanDerWaalsContact C-N 3.3Å; Q103-M105 PolarHBondContact O-N 3.16Å; Q103-A106 PolarHBondContact O-N 3.23Å; Q103-A106 VanDerWaalsContact O-N 3.15Å; Q103-D107 PolarHBondContact NE2-OD1 2.89Å; Q103-D107 PolarHBondContact O-N 3.2Å; Q103-R110 VanDerWaalsContact NE2-NH2 3.16Å
104Q88.6Confident90.8Very high95 Ų9556.1 Ų56.144%0.44428%0.279SS..Hα-helixtrans-59.4-40.5176.5-172.4-178.225.500112.3W100 L102 T108W100-Q104 VanDerWaalsContact CH2-OE1 3.25Å; W100-Q104 WeakPolarHBondContact O-CB 3.34Å; W100-Q104 PolarHBondContact O-N 2.97Å; L102-Q104 VanDerWaalsContact C-N 3.33Å; L102-Q104 PolarHBondContact O-N 3.32Å; Q104-T108 WeakPolarHBondContact O-CB 3.44Å; Q104-T108 PolarHBondContact O-N 2.97Å; Q104-T108 PolarHBondContact O-OG1 3.33Å
105M89.1Confident91.1Very high45 Ų4559.8 Ų59.822%0.22230%0.299CS..Hα-helixtrans-64.8-44.7175.5-176.4-178.768.300111.4P101 L102 Q103 T108 C109 R165P101-M105 WeakPolarHBondContact O-CB 3.48Å; P101-M105 PolarHBondContact O-N 3.16Å; L102-M105 HydrophobicContact CD2-CE 3.77Å; L102-M105 PolarHBondContact O-N 2.84Å; Q103-M105 VanDerWaalsContact C-N 3.3Å; Q103-M105 PolarHBondContact O-N 3.16Å; M105-T108 PolarHBondContact O-N 2.87Å; M105-C109 PolarHBondContact O-N 3.08Å; M105-C109 PolarHBondContact O-SG 3.21Å; M105-C109 VanDerWaalsContact O-SG 3.4Å; M105-R165 PolarHBondContact SD-NE 3.23Å; M105-R165 VanDerWaalsContact SD-NE 3.43Å
106A92.1Very high91.4Very high5 Ų559 Ų594%0.04130%0.295CS..Hα-helixtrans-63.2-40.7177.800000111.8L102 Q103 C109 R110 P188 E189L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.38Å; Q103-A106 PolarHBondContact O-N 3.23Å; Q103-A106 VanDerWaalsContact O-N 3.15Å; A106-C109 PolarHBondContact O-N 3.01Å; A106-R110 WeakPolarHBondContact O-CG 3.35Å; A106-R110 PolarHBondContact O-N 3.08Å; A106-P188 HydrophobicContact CB-CB 4.16Å; A106-E189 WeakPolarHBondContact CB-O 3.46Å
107D93.5Very high91.7Very high57 Ų5763.6 Ų63.631%0.30532%0.316SS..Hα-helixtrans-60.7-48.2173.5-62.3-11.7000110.7Q103 C109 R110 D111Q103-D107 PolarHBondContact NE2-OD1 2.89Å; Q103-D107 PolarHBondContact O-N 3.2Å; D107-C109 VanDerWaalsContact C-N 3.28Å; D107-C109 PolarHBondContact O-N 3.09Å; D107-R110 WeakPolarHBondContact O-CB 3.48Å; D107-R110 PolarHBondContact O-N 3.47Å; D107-R110 VanDerWaalsContact O-N 3.1Å; D107-R110 IonicContact OD1-CZ 2.79Å; D107-R110 IonicContact OD1-NE 2.78Å; D107-R110 IonicContact OD1-NH2 3.58Å; D107-R110 PolarHBondContact OD1-NH2 2.93Å; D107-D111 PolarHBondContact O-N 3.25Å
108T93.9Very high92.1Very high61 Ų6163.9 Ų63.937%0.37432%0.315SS..Hα-helixtrans-60.1-39.2177.8-55.60000111.6Q104 M105 T112 L162Q104-T108 WeakPolarHBondContact O-CB 3.44Å; Q104-T108 PolarHBondContact O-N 2.97Å; Q104-T108 PolarHBondContact O-OG1 3.33Å; M105-T108 PolarHBondContact O-N 2.87Å; T108-T112 VanDerWaalsContact O-CB 3.26Å; T108-T112 WeakPolarHBondContact O-CB 3.2Å; T108-T112 PolarHBondContact O-N 3.22Å; T108-T112 PolarHBondContact O-OG1 3.18Å; T108-L162 HydrophobicContact CG2-CD1 4.25Å; T108-L162 HydrophobicContact CG2-CD2 3.97Å
109C94.1Very high92.7Very high5 Ų559.3 Ų59.33%0.03429%0.29CS..Hα-helixtrans-62.7-48.2173.7-73.80000111.7M105 A106 D107 D111 T112 I113 L162 L186 P188M105-C109 PolarHBondContact O-N 3.08Å; M105-C109 PolarHBondContact O-SG 3.21Å; M105-C109 VanDerWaalsContact O-SG 3.4Å; A106-C109 PolarHBondContact O-N 3.01Å; D107-C109 VanDerWaalsContact C-N 3.28Å; D107-C109 PolarHBondContact O-N 3.09Å; C109-D111 PolarHBondContact O-N 3.46Å; C109-T112 PolarHBondContact O-N 3.12Å; C109-I113 WeakPolarHBondContact O-CG1 3.28Å; C109-I113 PolarHBondContact O-N 2.91Å; C109-L162 HydrophobicContact CB-CD2 4.28Å; C109-L186 WeakPolarHBondContact CB-O 3.33Å; C109-P188 HydrophobicContact CB-CB 4.28Å
110R94.7Very high93.3Very high119 Ų11961.7 Ų61.745%0.44930%0.302SS..Hα-helixtrans-57.8-50.8178.1-76-173.8-76.1173.5-7.9112.1Q103 A106 D107 T112 I113 V114 P188Q103-R110 VanDerWaalsContact NE2-NH2 3.16Å; A106-R110 WeakPolarHBondContact O-CG 3.35Å; A106-R110 PolarHBondContact O-N 3.08Å; D107-R110 WeakPolarHBondContact O-CB 3.48Å; D107-R110 PolarHBondContact O-N 3.47Å; D107-R110 VanDerWaalsContact O-N 3.1Å; D107-R110 IonicContact OD1-CZ 2.79Å; D107-R110 IonicContact OD1-NE 2.78Å; D107-R110 IonicContact OD1-NH2 3.58Å; D107-R110 PolarHBondContact OD1-NH2 2.93Å; R110-T112 VanDerWaalsContact C-N 3.26Å; R110-T112 PolarHBondContact O-N 3.37Å; R110-I113 PolarHBondContact O-N 3.08Å; R110-V114 WeakPolarHBondContact O-CG2 3.48Å; R110-V114 PolarHBondContact O-N 3.09Å; R110-P188 HydrophobicContact CG-CB 3.93Å; R110-P188 HydrophobicContact CG-CG 3.58Å
111D95.6Very high94Very high114 Ų11458.3 Ų58.361%0.6130%0.296SS*.Hα-helixtrans-61.2-39-179.7-70.7-18000111.6D107 C109 V114 L115D107-D111 PolarHBondContact O-N 3.25Å; C109-D111 PolarHBondContact O-N 3.46Å; D111-V114 PolarHBondContact O-N 3.39Å; D111-L115 WeakPolarHBondContact O-CB 3.41Å; D111-L115 PolarHBondContact O-N 3.31Å
112T96.2Very high94.7Very high16 Ų1662.2 Ų62.210%0.09831%0.306CS..Hα-helixtrans-66.7-41.5178.2-59.40000112T108 C109 R110 L115 L116 A159 L162T108-T112 VanDerWaalsContact O-CB 3.26Å; T108-T112 WeakPolarHBondContact O-CB 3.2Å; T108-T112 PolarHBondContact O-N 3.22Å; T108-T112 PolarHBondContact O-OG1 3.18Å; C109-T112 PolarHBondContact O-N 3.12Å; R110-T112 VanDerWaalsContact C-N 3.26Å; R110-T112 PolarHBondContact O-N 3.37Å; T112-L115 PolarHBondContact O-N 3.28Å; T112-L116 WeakPolarHBondContact O-CB 3.48Å; T112-L116 PolarHBondContact O-N 3.42Å; T112-A159 HydrophobicContact CG2-CB 3.69Å; T112-L162 HydrophobicContact CG2-CD2 4.31Å
113I95.7Very high95.1Very high45 Ų4562.3 Ų62.323%0.23131%0.307CS..Hα-helixtrans-62.1-49.7175.4-70.3165.4000110C109 R110 L115 L116 E117 L186C109-I113 WeakPolarHBondContact O-CG1 3.28Å; C109-I113 PolarHBondContact O-N 2.91Å; R110-I113 PolarHBondContact O-N 3.08Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.42Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.37Å; I113-L116 VanDerWaalsContact O-N 3.1Å; I113-E117 HydrophobicContact CG2-CG 4.45Å; I113-E117 WeakPolarHBondContact O-CG 3.14Å; I113-E117 PolarHBondContact O-N 3.47Å; I113-L186 HydrophobicContact CD1-CB 4.25Å; I113-L186 HydrophobicContact CG1-CB 4.37Å
114V95.9Very high95.4Very high61 Ų6165 Ų6537%0.3732%0.321SS..Hα-helixtrans-59-41.7178.11710000111.3R110 D111 K118R110-V114 WeakPolarHBondContact O-CG2 3.48Å; R110-V114 PolarHBondContact O-N 3.09Å; D111-V114 PolarHBondContact O-N 3.39Å; V114-K118 HydrophobicContact CG1-CD 4.01Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.25Å; V114-K118 WeakPolarHBondContact O-CG 3.48Å; V114-K118 PolarHBondContact O-N 2.99Å
115L96.5Very high95.8Very high87 Ų8768.8 Ų68.846%0.45533%0.331SS..Hα-helixtrans-63.8-42.3176.3-179.563.1000111.9D111 T112 I113 N119 A155D111-L115 WeakPolarHBondContact O-CB 3.41Å; D111-L115 PolarHBondContact O-N 3.31Å; T112-L115 PolarHBondContact O-N 3.28Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.42Å; L115-N119 WeakPolarHBondContact CD1-ND2 3.3Å; L115-N119 PolarHBondContact O-N 3.24Å; L115-N119 VanDerWaalsContact O-N 3.07Å; L115-N119 PolarHBondContact O-ND2 3.3Å; L115-A155 HydrophobicContact CG-CB 4.45Å
116L96.8Very high96.2Very high31 Ų3167.3 Ų67.316%0.16232%0.323CS..Hα-helixtrans-62.9-48178.1179.761.8000111.2T112 I113 K118 N119 L120 L152 A155 R156 A159 L178T112-L116 WeakPolarHBondContact O-CB 3.48Å; T112-L116 PolarHBondContact O-N 3.42Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.37Å; I113-L116 VanDerWaalsContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 3.15Å; L116-N119 PolarHBondContact O-N 3.21Å; L116-L120 WeakPolarHBondContact O-CB 3.13Å; L116-L120 PolarHBondContact O-N 3.4Å; L116-L152 HydrophobicContact CD1-CD1 3.93Å; L116-A155 HydrophobicContact CD1-CB 4.26Å; L116-R156 HydrophobicContact CD1-CG 3.61Å; L116-A159 HydrophobicContact CD2-CB 4.26Å; L116-L178 HydrophobicContact CD2-CD1 3.6Å
117E96.6Very high96.3Very high116 Ų11673 Ų7354%0.54235%0.347SS..Hα-helixtrans-61.2-43177.9-72177.3171.900112.4I113 N119 L120 T121I113-E117 HydrophobicContact CG2-CG 4.45Å; I113-E117 WeakPolarHBondContact O-CG 3.14Å; I113-E117 PolarHBondContact O-N 3.47Å; E117-N119 PolarHBondContact O-N 3.13Å; E117-L120 PolarHBondContact O-N 3.4Å; E117-T121 VanDerWaalsContact O-CB 3.31Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 PolarHBondContact O-N 3.15Å; E117-T121 PolarHBondContact O-OG1 2.97Å
118K98.1Very high96.4Very high141 Ų14178.8 Ų78.861%0.61337%0.37SS*.Hα-helixtrans-59.6-45.8175.5-78.5173.6-180173.50111.6V114 L116 R122V114-K118 HydrophobicContact CG1-CD 4.01Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.25Å; V114-K118 WeakPolarHBondContact O-CG 3.48Å; V114-K118 PolarHBondContact O-N 2.99Å; L116-K118 PolarHBondContact O-N 3.15Å; K118-R122 WeakPolarHBondContact O-CB 3.37Å; K118-R122 PolarHBondContact O-N 3.26Å
119N98.3Very high96.3Very high18 Ų1883.3 Ų83.310%0.09638%0.38CS..Hα-helixtrans-68.8-40.2179-80.7-73.7000112.2L115 L116 E117 R122 V123 S151 L152 A155L115-N119 WeakPolarHBondContact CD1-ND2 3.3Å; L115-N119 PolarHBondContact O-N 3.24Å; L115-N119 VanDerWaalsContact O-N 3.07Å; L115-N119 PolarHBondContact O-ND2 3.3Å; L116-N119 PolarHBondContact O-N 3.21Å; E117-N119 PolarHBondContact O-N 3.13Å; N119-R122 WeakPolarHBondContact O-CB 3.32Å; N119-R122 PolarHBondContact O-N 3.26Å; N119-V123 PolarHBondContact O-N 3.44Å; N119-S151 VanDerWaalsContact OD1-CB 3.27Å; N119-S151 WeakPolarHBondContact OD1-CB 3.48Å; N119-L152 HydrophobicContact CB-CB 4.2Å; N119-L152 HydrophobicContact CB-CD1 3.99Å; N119-A155 HydrophobicContact CB-CB 4.4Å
120L97.7Very high96.2Very high61 Ų6188.7 Ų88.732%0.31942%0.415SS..Hα-helixtrans-60.1-49175.7-172.672.6000110.5L116 E117 R122 V123 M124 L152L116-L120 WeakPolarHBondContact O-CB 3.13Å; L116-L120 PolarHBondContact O-N 3.4Å; E117-L120 PolarHBondContact O-N 3.4Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 2.88Å; L120-V123 PolarHBondContact O-N 2.87Å; L120-M124 HydrophobicContact CD1-CE 4.13Å; L120-M124 HydrophobicContact CD2-CE 4.06Å; L120-M124 HydrophobicContact CG-CE 3.92Å; L120-M124 HydrophobicContact CG-SD 4.39Å; L120-M124 WeakPolarHBondContact O-CG 3.44Å; L120-M124 PolarHBondContact O-N 3.12Å; L120-L152 HydrophobicContact CB-CD1 4.31Å; L120-L152 HydrophobicContact CD1-CD1 4.43Å; L120-L152 HydrophobicContact CD1-CD2 4.18Å
121T97.9Very high96.1Very high58 Ų5887.1 Ų87.136%0.35642%0.418SS..Hα-helixtrans-59.8-41.4177.2-59.70000111.6E117 M124 R125E117-T121 VanDerWaalsContact O-CB 3.31Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 PolarHBondContact O-N 3.15Å; E117-T121 PolarHBondContact O-OG1 2.97Å; T121-M124 PolarHBondContact O-N 2.89Å; T121-R125 HydrophobicContact CG2-CG 4.38Å; T121-R125 WeakPolarHBondContact O-CB 3.46Å; T121-R125 VanDerWaalsContact O-CG 3.28Å; T121-R125 WeakPolarHBondContact O-CG 3.24Å; T121-R125 PolarHBondContact O-N 2.96Å
122R97.9Very high95.9Very high119 Ų11983.4 Ų83.445%0.44940%0.4SS..Hα-helixtrans-60.4-48.6177.1-178-179.4177.8-179.7-0.9111.8K118 N119 L120 R125 L126 A148K118-R122 WeakPolarHBondContact O-CB 3.37Å; K118-R122 PolarHBondContact O-N 3.26Å; N119-R122 WeakPolarHBondContact O-CB 3.32Å; N119-R122 PolarHBondContact O-N 3.26Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 2.88Å; R122-R125 PolarHBondContact O-N 3.34Å; R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CG 3.31Å; R122-L126 PolarHBondContact O-N 3.16Å; R122-A148 HydrophobicContact CG-CB 4.21Å
123V97.9Very high95.6Very high9 Ų991.9 Ų91.96%0.05544%0.439CS..Hα-helixtrans-63.5-45.6178.1172.30000110.8N119 L120 R125 L126 K127 A148 E149 L152N119-V123 PolarHBondContact O-N 3.44Å; L120-V123 PolarHBondContact O-N 2.87Å; V123-R125 VanDerWaalsContact C-N 3.34Å; V123-R125 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 3.49Å; V123-K127 HydrophobicContact CG1-CD 4.06Å; V123-K127 HydrophobicContact CG1-CG 4.4Å; V123-K127 WeakPolarHBondContact O-CG 3.28Å; V123-K127 PolarHBondContact O-N 3.41Å; V123-A148 HydrophobicContact CG2-CB 3.89Å; V123-A148 WeakPolarHBondContact CG2-O 3.46Å; V123-E149 HydrophobicContact CG1-CG 4.1Å; V123-E149 HydrophobicContact CG2-CG 4.26Å; V123-L152 HydrophobicContact CB-CD2 4.2Å; V123-L152 HydrophobicContact CG1-CD2 4.46Å; V123-L152 HydrophobicContact CG2-CB 4.02Å; V123-L152 HydrophobicContact CG2-CD2 3.9Å
124M97.1Very high95.6Very high103 Ų10393.8 Ų93.851%0.50745%0.45SS..Hα-helixtrans-59.7-43177.5-73.1-176.6174.700112.3L120 T121 K127 K128L120-M124 HydrophobicContact CD1-CE 4.13Å; L120-M124 HydrophobicContact CD2-CE 4.06Å; L120-M124 HydrophobicContact CG-CE 3.92Å; L120-M124 HydrophobicContact CG-SD 4.39Å; L120-M124 WeakPolarHBondContact O-CG 3.44Å; L120-M124 PolarHBondContact O-N 3.12Å; T121-M124 PolarHBondContact O-N 2.89Å; M124-K127 PolarHBondContact O-N 2.93Å; M124-K128 WeakPolarHBondContact O-CG 3.39Å; M124-K128 PolarHBondContact O-N 2.82Å
125R96.8Very high95.4Very high173 Ų17394.4 Ų94.465%0.65346%0.461SS*.Hα-helixtrans-63.6-40.8176.9-76178.5-176.1-1773.3112.2T121 R122 V123 R129T121-R125 HydrophobicContact CG2-CG 4.38Å; T121-R125 WeakPolarHBondContact O-CB 3.46Å; T121-R125 VanDerWaalsContact O-CG 3.28Å; T121-R125 WeakPolarHBondContact O-CG 3.24Å; T121-R125 PolarHBondContact O-N 2.96Å; R122-R125 PolarHBondContact O-N 3.34Å; V123-R125 VanDerWaalsContact C-N 3.34Å; V123-R125 PolarHBondContact O-N 2.9Å; R125-R129 WeakPolarHBondContact O-CG 3.36Å; R125-R129 PolarHBondContact O-N 3.02Å
126L96.1Very high95.3Very high14 Ų1496.1 Ų96.17%0.07347%0.471CS..Hα-helixtrans-67.7-41.7177.6-72.3168.9000111.8R122 V123 K128 R129 H141 T144 L145 A148R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CG 3.31Å; R122-L126 PolarHBondContact O-N 3.16Å; V123-L126 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.43Å; L126-R129 PolarHBondContact O-N 2.81Å; L126-H141 PolarHBondContact O-CE1 3.05Å; L126-T144 HydrophobicContact CD1-CG2 4.07Å; L126-T144 HydrophobicContact CD2-CG2 4.05Å; L126-L145 HydrophobicContact CB-CD1 3.87Å; L126-A148 HydrophobicContact CD1-CB 3.53Å
127K95.2Very high95.2Very high124 Ų12499.9 Ų99.954%0.53949%0.488SS..Hα-helixtrans-66-28.9177.1-73.2-173.7175.9-177.40113.9V123 M124 R129 L145 E149V123-K127 HydrophobicContact CG1-CD 4.06Å; V123-K127 HydrophobicContact CG1-CG 4.4Å; V123-K127 WeakPolarHBondContact O-CG 3.28Å; V123-K127 PolarHBondContact O-N 3.41Å; M124-K127 PolarHBondContact O-N 2.93Å; K127-R129 VanDerWaalsContact C-N 3.35Å; K127-L145 HydrophobicContact CG-CD1 3.82Å; K127-L145 HydrophobicContact CG-CD2 4.41Å; K127-E149 WeakPolarHBondContact CE-OE1 3.47Å; K127-E149 IonicContact NZ-OE1 2.75Å; K127-E149 PolarHBondContact NZ-OE1 3.19Å
128K95.3Very high95.1Very high180 Ų18099.6 Ų99.678%0.78348%0.484SS*.Hα-helixtrans-77.3-17.7175.5-75.5-178.8178.4-173.70113.6M124 L126M124-K128 WeakPolarHBondContact O-CG 3.39Å; M124-K128 PolarHBondContact O-N 2.82Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.43Å
129R92.5Very high95Very high156 Ų15698.4 Ų98.459%0.58948%0.479SS*.SBendtrans-73.3139.7178.7-75174.5-179.8-171.6-2.9109.7R125 L126 K127R125-R129 WeakPolarHBondContact O-CG 3.36Å; R125-R129 PolarHBondContact O-N 3.02Å; L126-R129 PolarHBondContact O-N 2.81Å; K127-R129 VanDerWaalsContact C-N 3.35Å
130P91.5Very high94.8Very high118 Ų118105 Ų10577%0.76651%0.507SS*.PPolyproline II helixtrans-60140.8172.625.8-32.7000109.9P132P130-P132 WeakPolarHBondContact O-CD 3.42Å
131V91.4Very high94.6Very high86 Ų86103.3 Ų103.352%0.52150%0.498SS..PPolyproline II helixtrans-74.7123.6176.4-179.40000107.8K138V131-K138 HydrophobicContact CG1-CD 4.29Å; V131-K138 HydrophobicContact CG1-CG 3.91Å
132P91.6Very high94.5Very high35 Ų35103.4 Ų103.423%0.22750%0.498CS..PPolyproline II helixtrans-60.2143.8178.5-23.433.7000112.3P130 E137 H141P130-P132 WeakPolarHBondContact O-CD 3.42Å; P132-E137 HydrophobicContact CB-CB 3.51Å; P132-E137 HydrophobicContact CG-CB 3.95Å; P132-H141 HydrophobicContact CG-CB 4.39Å
133E91.2Very high94.5Very high195 Ų195104.7 Ų104.791%0.91150%0.503SS*.SBendtrans-76-36.6177.9-65.1-173.8165.900112.1A135E133-A135 PolarHBondContact O-N 3.15Å
134N94.3Very high94.4Very high85 Ų85106.8 Ų106.846%0.45552%0.516SS..SBendtrans-60.1128.2177.1-179.5-19.6000110.4D136 E137 K138N134-D136 VanDerWaalsContact C-N 3.31Å; N134-D136 PolarHBondContact O-N 2.99Å; N134-D136 PolarHBondContact OD1-N 3.1Å; N134-E137 HydrophobicContact CB-CB 4.2Å; N134-E137 HydrophobicContact CB-CG 4.1Å; N134-E137 PolarHBondContact O-N 3.29Å; N134-K138 VanDerWaalsContact O-CB 3.32Å; N134-K138 WeakPolarHBondContact O-CB 3.3Å; N134-K138 PolarHBondContact O-N 3.27Å
135A93.4Very high94.4Very high74 Ų74103.4 Ų103.461%0.61250%0.5SS*.Hα-helixtrans-54-42-177.900000113.6E133 K139E133-A135 PolarHBondContact O-N 3.15Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.98Å
136D94.2Very high94.5Very high123 Ų12399.5 Ų99.566%0.65849%0.489SS*.Hα-helixtrans-70.7-41.7-178.7-76.3-26.8000111.9N134 K139 K140N134-D136 VanDerWaalsContact C-N 3.31Å; N134-D136 PolarHBondContact O-N 2.99Å; N134-D136 PolarHBondContact OD1-N 3.1Å; D136-K139 PolarHBondContact O-N 3.45Å; D136-K140 PolarHBondContact O-N 3.35Å
137E93.9Very high94.6Very high110 Ų110102.4 Ų102.451%0.51450%0.504SS..Hα-helixtrans-67.7-39.9176.6-64.4-170.616200111.7P132 N134 K139 K140 H141P132-E137 HydrophobicContact CB-CB 3.51Å; P132-E137 HydrophobicContact CG-CB 3.95Å; N134-E137 HydrophobicContact CB-CB 4.2Å; N134-E137 HydrophobicContact CB-CG 4.1Å; N134-E137 PolarHBondContact O-N 3.29Å; E137-K139 VanDerWaalsContact C-N 3.35Å; E137-K139 PolarHBondContact O-N 3.17Å; E137-K140 PolarHBondContact O-N 3.12Å; E137-H141 WeakPolarHBondContact O-CB 3.26Å; E137-H141 PolarHBondContact O-N 2.83Å
138K94.9Very high94.7Very high109 Ų10996.5 Ų96.547%0.47448%0.479SS..Hα-helixtrans-58.9-46.2172.9-174.3173.6-179.4176.50111V131 N134 K140 H141 T142V131-K138 HydrophobicContact CG1-CD 4.29Å; V131-K138 HydrophobicContact CG1-CG 3.91Å; N134-K138 VanDerWaalsContact O-CB 3.32Å; N134-K138 WeakPolarHBondContact O-CB 3.3Å; N134-K138 PolarHBondContact O-N 3.27Å; K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 3.46Å; K138-H141 PolarHBondContact O-N 3.35Å; K138-T142 PolarHBondContact O-N 3.18Å; K138-T142 PolarHBondContact O-OG1 3.33Å
139K95.3Very high94.8Very high117 Ų11791.5 Ų91.551%0.50946%0.458SS..Hα-helixtrans-60.7-42176.5-171178.6-175.2177.40111.8A135 D136 E137 R143A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.98Å; D136-K139 PolarHBondContact O-N 3.45Å; E137-K139 VanDerWaalsContact C-N 3.35Å; E137-K139 PolarHBondContact O-N 3.17Å; K139-R143 WeakPolarHBondContact O-CG 3.42Å; K139-R143 PolarHBondContact O-N 3.41Å; K139-R143 VanDerWaalsContact O-N 3.08Å
140K94.9Very high95.1Very high155 Ų15591.5 Ų91.567%0.67446%0.458SS*.Hα-helixtrans-65.7-43176-172.6179-179.3179.80112.1D136 E137 K138 R143 T144D136-K140 PolarHBondContact O-N 3.35Å; E137-K140 PolarHBondContact O-N 3.12Å; K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 3.46Å; K140-R143 PolarHBondContact O-N 3.22Å; K140-T144 WeakPolarHBondContact O-CB 3.15Å; K140-T144 PolarHBondContact O-N 3.23Å; K140-T144 PolarHBondContact O-OG1 2.87Å
141H94.3Very high95.4Very high27 Ų2787.6 Ų87.613%0.12543%0.433CS..Hα-helixtrans-60.2-50.2176178.792000111L126 P132 E137 K138 R143 T144 L145L126-H141 PolarHBondContact O-CE1 3.05Å; P132-H141 HydrophobicContact CG-CB 4.39Å; E137-H141 WeakPolarHBondContact O-CB 3.26Å; E137-H141 PolarHBondContact O-N 2.83Å; K138-H141 PolarHBondContact O-N 3.35Å; H141-R143 PolarHBondContact O-N 3.34Å; H141-T144 WeakPolarHBondContact O-CB 3.39Å; H141-T144 PolarHBondContact O-N 3.41Å; H141-L145 PolarHBondContact O-N 3.47Å
142T95.7Very high95.7Very high60 Ų6084 Ų8437%0.36841%0.411SS..Hα-helixtrans-59.1-45.3178.8-58.80000112K138 T144 L145 Q146K138-T142 PolarHBondContact O-N 3.18Å; K138-T142 PolarHBondContact O-OG1 3.33Å; T142-T144 PolarHBondContact O-N 3.15Å; T142-L145 PolarHBondContact O-N 3.12Å; T142-Q146 HydrophobicContact CG2-CG 4.49Å; T142-Q146 WeakPolarHBondContact O-CB 2.83Å; T142-Q146 VanDerWaalsContact O-CG 3.32Å; T142-Q146 WeakPolarHBondContact O-CG 2.72Å; T142-Q146 PolarHBondContact O-N 2.89Å
143R96.4Very high96Very high146 Ų14683.6 Ų83.655%0.55141%0.411SS*.Hα-helixtrans-59.2-46.8175.4-75.3174.6174.9-174.3-5.4111.8K139 K140 H141 L145 Q146 D147K139-R143 WeakPolarHBondContact O-CG 3.42Å; K139-R143 PolarHBondContact O-N 3.41Å; K139-R143 VanDerWaalsContact O-N 3.08Å; K140-R143 PolarHBondContact O-N 3.22Å; H141-R143 PolarHBondContact O-N 3.34Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.04Å; R143-Q146 PolarHBondContact O-N 3.37Å; R143-D147 PolarHBondContact O-N 3.06Å
144T97Very high96.3Very high53 Ų5380.9 Ų80.933%0.32540%0.398SS..Hα-helixtrans-61.9-39.8179.4-54.30000111.9L126 K140 H141 T142 A148L126-T144 HydrophobicContact CD1-CG2 4.07Å; L126-T144 HydrophobicContact CD2-CG2 4.05Å; K140-T144 WeakPolarHBondContact O-CB 3.15Å; K140-T144 PolarHBondContact O-N 3.23Å; K140-T144 PolarHBondContact O-OG1 2.87Å; H141-T144 WeakPolarHBondContact O-CB 3.39Å; H141-T144 PolarHBondContact O-N 3.41Å; T142-T144 PolarHBondContact O-N 3.15Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.86Å; T144-A148 VanDerWaalsContact O-N 3.09Å
145L97.6Very high96.5Very high32 Ų3277.1 Ų77.117%0.16838%0.379CS..Hα-helixtrans-66.7-46.3176.2-179.261.2000111.3L126 K127 H141 T142 R143 D147 A148 E149L126-L145 HydrophobicContact CB-CD1 3.87Å; K127-L145 HydrophobicContact CG-CD1 3.82Å; K127-L145 HydrophobicContact CG-CD2 4.41Å; H141-L145 PolarHBondContact O-N 3.47Å; T142-L145 PolarHBondContact O-N 3.12Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.04Å; L145-D147 VanDerWaalsContact C-N 3.33Å; L145-D147 PolarHBondContact O-N 2.94Å; L145-A148 PolarHBondContact O-N 2.86Å; L145-E149 HydrophobicContact CD1-CG 4.34Å; L145-E149 WeakPolarHBondContact O-CG 3.43Å; L145-E149 PolarHBondContact O-N 3.17Å
146Q97.3Very high96.7Very high91 Ų9176.5 Ų76.543%0.42536%0.361SS..Hα-helixtrans-59-42.4176.8-74.5175.6-10.900112.2T142 R143 E149 R150T142-Q146 HydrophobicContact CG2-CG 4.49Å; T142-Q146 WeakPolarHBondContact O-CB 2.83Å; T142-Q146 VanDerWaalsContact O-CG 3.32Å; T142-Q146 WeakPolarHBondContact O-CG 2.72Å; T142-Q146 PolarHBondContact O-N 2.89Å; R143-Q146 PolarHBondContact O-N 3.37Å; Q146-E149 PolarHBondContact O-N 3.04Å; Q146-R150 WeakPolarHBondContact O-CG 3.42Å; Q146-R150 PolarHBondContact O-N 3.38Å
147D97.9Very high96.8Very high75 Ų7572.1 Ų72.140%0.40134%0.338SS..Hα-helixtrans-67-37.5177.6-68.7-25.1000112.1R143 L145 R150 S151R143-D147 PolarHBondContact O-N 3.06Å; L145-D147 VanDerWaalsContact C-N 3.33Å; L145-D147 PolarHBondContact O-N 2.94Å; D147-R150 IonicContact OD1-NH1 3.96Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 2.98Å; D147-S151 PolarHBondContact O-OG 2.95Å
148A98Very high96.9Very high0 Ų069.9 Ų69.90%033%0.334CS..Hα-helixtrans-66.7-40.1173.900000112R122 V123 L126 T144 L145 S151 L152R122-A148 HydrophobicContact CG-CB 4.21Å; V123-A148 HydrophobicContact CG2-CB 3.89Å; V123-A148 WeakPolarHBondContact CG2-O 3.46Å; L126-A148 HydrophobicContact CD1-CB 3.53Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.86Å; T144-A148 VanDerWaalsContact O-N 3.09Å; L145-A148 PolarHBondContact O-N 2.86Å; A148-S151 PolarHBondContact O-N 3.09Å; A148-L152 PolarHBondContact O-N 3.04Å
149E98.1Very high97Very high74 Ų7464.7 Ų64.735%0.34631%0.311SS..Hα-helixtrans-66.5-39.7176.3-73.3-178150.100112V123 K127 L145 Q146 L152 A153V123-E149 HydrophobicContact CG1-CG 4.1Å; V123-E149 HydrophobicContact CG2-CG 4.26Å; K127-E149 WeakPolarHBondContact CE-OE1 3.47Å; K127-E149 IonicContact NZ-OE1 2.75Å; K127-E149 PolarHBondContact NZ-OE1 3.19Å; L145-E149 HydrophobicContact CD1-CG 4.34Å; L145-E149 WeakPolarHBondContact O-CG 3.43Å; L145-E149 PolarHBondContact O-N 3.17Å; Q146-E149 PolarHBondContact O-N 3.04Å; E149-L152 PolarHBondContact O-N 3.45Å; E149-A153 WeakPolarHBondContact O-CB 3.45Å; E149-A153 PolarHBondContact O-N 2.89Å
150R97.7Very high97.1Very high156 Ų15659.8 Ų59.859%0.58929%0.29SS*.Hα-helixtrans-61-44171.5-73.7171.4-179.1170-3.3112Q146 D147 L152 A153 Q154Q146-R150 WeakPolarHBondContact O-CG 3.42Å; Q146-R150 PolarHBondContact O-N 3.38Å; D147-R150 IonicContact OD1-NH1 3.96Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.48Å; R150-A153 PolarHBondContact O-N 3.21Å; R150-Q154 WeakPolarHBondContact O-CG 3.43Å; R150-Q154 PolarHBondContact O-N 3.44Å
151S98Very high97.1Very high36 Ų3656.9 Ų56.925%0.25228%0.275SS..Hα-helixtrans-62.7-40.8177.2-55.50000111.4N119 D147 A148 Q154 A155N119-S151 VanDerWaalsContact OD1-CB 3.27Å; N119-S151 WeakPolarHBondContact OD1-CB 3.48Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 2.98Å; D147-S151 PolarHBondContact O-OG 2.95Å; A148-S151 PolarHBondContact O-N 3.09Å; S151-Q154 PolarHBondContact O-N 2.94Å; S151-A155 WeakPolarHBondContact O-CB 3.31Å; S151-A155 PolarHBondContact O-N 3.42Å
152L98.4Very high97Very high10 Ų1056.9 Ų56.95%0.05228%0.275CS..Hα-helixtrans-65-42.7173.9177.259.6000112.1L116 N119 L120 V123 A148 E149 R150 Q154 A155 R156L116-L152 HydrophobicContact CD1-CD1 3.93Å; N119-L152 HydrophobicContact CB-CB 4.2Å; N119-L152 HydrophobicContact CB-CD1 3.99Å; L120-L152 HydrophobicContact CB-CD1 4.31Å; L120-L152 HydrophobicContact CD1-CD1 4.43Å; L120-L152 HydrophobicContact CD1-CD2 4.18Å; V123-L152 HydrophobicContact CB-CD2 4.2Å; V123-L152 HydrophobicContact CG1-CD2 4.46Å; V123-L152 HydrophobicContact CG2-CB 4.02Å; V123-L152 HydrophobicContact CG2-CD2 3.9Å; A148-L152 PolarHBondContact O-N 3.04Å; E149-L152 PolarHBondContact O-N 3.45Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.48Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 2.94Å; L152-A155 PolarHBondContact O-N 3.17Å; L152-R156 HydrophobicContact CD1-CG 4.19Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.02Å
153A97.8Very high96.9Very high27 Ų2754.1 Ų54.122%0.22326%0.259CS..Hα-helixtrans-60.1-43.1176.800000111.5E149 R150 R156 L157 T175E149-A153 WeakPolarHBondContact O-CB 3.45Å; E149-A153 PolarHBondContact O-N 2.89Å; R150-A153 PolarHBondContact O-N 3.21Å; A153-R156 PolarHBondContact O-N 2.93Å; A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 PolarHBondContact O-N 3.32Å; A153-T175 HydrophobicContact CB-CG2 4.04Å
154Q97.4Very high96.6Very high138 Ų13849.4 Ų49.465%0.64524%0.244SC*.Hα-helixtrans-64.1-44.3174.4-71.8175.1-8.800112.3R150 S151 L152 R156 L157 S158R150-Q154 WeakPolarHBondContact O-CG 3.43Å; R150-Q154 PolarHBondContact O-N 3.44Å; S151-Q154 PolarHBondContact O-N 2.94Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-Q154 PolarHBondContact O-N 2.94Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 3.25Å; Q154-L157 PolarHBondContact O-N 3.47Å; Q154-S158 WeakPolarHBondContact O-CB 3.2Å; Q154-S158 PolarHBondContact O-N 3.3Å
155A97.5Very high96.2Very high7 Ų749.1 Ų49.16%0.05824%0.237CC..Hα-helixtrans-61.1-42.7176.700000111.8L115 L116 N119 S151 L152 S158 A159L115-A155 HydrophobicContact CG-CB 4.45Å; L116-A155 HydrophobicContact CD1-CB 4.26Å; N119-A155 HydrophobicContact CB-CB 4.4Å; S151-A155 WeakPolarHBondContact O-CB 3.31Å; S151-A155 PolarHBondContact O-N 3.42Å; L152-A155 PolarHBondContact O-N 3.17Å; A155-S158 PolarHBondContact O-N 3Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.74Å
156R98.1Very high95.4Very high60 Ų6049.9 Ų49.923%0.22624%0.239CC..Hα-helixtrans-62.4-45.3175.1-75.8174.6173.2177.9-3.8112.3L116 L152 A153 Q154 S158 A159 R160 T175L116-R156 HydrophobicContact CD1-CG 3.61Å; L152-R156 HydrophobicContact CD1-CG 4.19Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 WeakPolarHBondContact O-CG 3.47Å; L152-R156 PolarHBondContact O-N 3.02Å; A153-R156 PolarHBondContact O-N 2.93Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 3.25Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.03Å; R156-A159 PolarHBondContact O-N 2.97Å; R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 2.79Å; R156-T175 WeakPolarHBondContact CD-O 3.32Å
157L97.1Very high94.9Very high32 Ų3248.5 Ų48.517%0.16824%0.237CC..Hα-helixtrans-61.8-42.3176.9-17760.4000111.5A153 Q154 R160 R161 I172 T175A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 PolarHBondContact O-N 3.32Å; Q154-L157 PolarHBondContact O-N 3.47Å; L157-R160 PolarHBondContact O-N 2.84Å; L157-R161 HydrophobicContact CD1-CG 4.49Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 VanDerWaalsContact O-CG 3.31Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 2.93Å; L157-I172 HydrophobicContact CD1-CG2 4.43Å; L157-I172 WeakPolarHBondContact CD1-O 3.15Å; L157-T175 HydrophobicContact CB-CG2 4.23Å
158S95.8Very high94.2Very high62 Ų6250.6 Ų50.643%0.43424%0.244SC..Hα-helixtrans-63.7-44.7176.9-167.30000111.8Q154 A155 R156 R161 L162Q154-S158 WeakPolarHBondContact O-CB 3.2Å; Q154-S158 PolarHBondContact O-N 3.3Å; A155-S158 PolarHBondContact O-N 3Å; R156-S158 VanDerWaalsContact C-N 3.32Å; R156-S158 PolarHBondContact O-N 3.03Å; S158-R161 PolarHBondContact O-N 2.72Å; S158-L162 PolarHBondContact O-N 3.02Å; S158-L162 VanDerWaalsContact O-N 3.07Å
159A96.9Very high93.7Very high0 Ų058 Ų580%028%0.277CS..Hα-helixtrans-61.9-45.9176.300000111.7T112 L116 A155 R156 R161 L162 A163 L178 L186T112-A159 HydrophobicContact CG2-CB 3.69Å; L116-A159 HydrophobicContact CD2-CB 4.26Å; A155-A159 WeakPolarHBondContact O-CB 3.46Å; A155-A159 PolarHBondContact O-N 2.74Å; R156-A159 PolarHBondContact O-N 2.97Å; A159-R161 PolarHBondContact O-N 2.72Å; A159-L162 PolarHBondContact O-N 3.13Å; A159-L162 VanDerWaalsContact O-N 3.13Å; A159-A163 PolarHBondContact O-N 3.16Å; A159-L178 HydrophobicContact CB-CD1 3.87Å; A159-L178 HydrophobicContact CB-CD2 4.43Å; A159-L186 HydrophobicContact CB-CD1 3.83Å
160R96.9Very high93.3Very high14 Ų1457.9 Ų57.95%0.05328%0.284CS..Hα-helixtrans-60.1-43.6176.9-176.3172-86.3131.17.2112R156 L157 L162 A163 L164 I172 T174 D176 A177 L178 E182R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 2.79Å; L157-R160 PolarHBondContact O-N 2.84Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.02Å; R160-A163 PolarHBondContact O-N 3.13Å; R160-L164 HydrophobicContact CG-CD1 3.97Å; R160-L164 WeakPolarHBondContact O-CB 3.46Å; R160-L164 PolarHBondContact O-N 3.36Å; R160-I172 HydrophobicContact CB-CG2 4.23Å; R160-I172 HydrophobicContact CG-CG2 3.56Å; R160-T174 WeakPolarHBondContact CD-OG1 3.16Å; R160-T174 VanDerWaalsContact NH1-C 3.29Å; R160-T174 PolarHBondContact NH1-O 2.97Å; R160-T174 PolarHBondContact NH1-OG1 3.42Å; R160-D176 PolarHBondContact NH1-O 3.48Å; R160-D176 PolarHBondContact NH2-O 3.49Å; R160-A177 PolarHBondContact NH2-O 2.87Å; R160-L178 HydrophobicContact CB-CD2 3.74Å; R160-L178 HydrophobicContact CG-CD2 4.46Å; R160-E182 WeakPolarHBondContact CD-OE1 3.25Å; R160-E182 WeakPolarHBondContact CG-OE1 3.27Å; R160-E182 IonicContact CZ-OE1 3.79Å; R160-E182 IonicContact CZ-OE2 3.67Å; R160-E182 IonicContact NE-OE1 2.67Å; R160-E182 PolarHBondContact NE-OE1 3.31Å; R160-E182 IonicContact NE-OE2 3.55Å; R160-E182 PolarHBondContact NE-OE2 3.33Å; R160-E182 IonicContact NH2-OE1 2.95Å; R160-E182 IonicContact NH2-OE2 2.74Å; R160-E182 PolarHBondContact NH2-OE2 2.99Å
161R95Very high93Very high95 Ų9556.6 Ų56.636%0.35829%0.285SS..Hα-helixtrans-64-32.5176.2-75.9174.4174.3177.1-2.5113L157 S158 A159 L164 R165 I172L157-R161 HydrophobicContact CD1-CG 4.49Å; L157-R161 WeakPolarHBondContact O-CB 3.4Å; L157-R161 VanDerWaalsContact O-CG 3.31Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 2.93Å; S158-R161 PolarHBondContact O-N 2.72Å; A159-R161 PolarHBondContact O-N 2.72Å; R161-L164 CarbonylContact O-C 3.5Å; R161-R165 WeakPolarHBondContact O-CA 3.14Å; R161-R165 WeakPolarHBondContact O-CB 3.18Å; R161-R165 PolarHBondContact O-N 3.16Å; R161-R165 VanDerWaalsContact O-N 3.08Å; R161-I172 HydrophobicContact CG-CB 4.03Å; R161-I172 HydrophobicContact CG-CD1 4.25Å; R161-I172 HydrophobicContact CG-CG2 3.65Å; R161-I172 PolarHBondContact NE-O 3.2Å; R161-I172 PolarHBondContact NH2-O 3.18Å
162L92.9Very high92.8Very high27 Ų2755.1 Ų55.114%0.14127%0.274CS..Hα-helixtrans-75.3-40.5175.8-175.561.3000112T108 C109 T112 S158 A159 R160 R165 L186T108-L162 HydrophobicContact CG2-CD1 4.25Å; T108-L162 HydrophobicContact CG2-CD2 3.97Å; C109-L162 HydrophobicContact CB-CD2 4.28Å; T112-L162 HydrophobicContact CG2-CD2 4.31Å; S158-L162 PolarHBondContact O-N 3.02Å; S158-L162 VanDerWaalsContact O-N 3.07Å; A159-L162 PolarHBondContact O-N 3.13Å; A159-L162 VanDerWaalsContact O-N 3.13Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.02Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-NH1 3.26Å; L162-L186 HydrophobicContact CB-CD2 3.9Å; L162-L186 HydrophobicContact CD2-CD2 3.86Å; L162-L186 HydrophobicContact CG-CD2 3.85Å
163A92.7Very high92.6Very high2 Ų259.2 Ų59.22%0.01730%0.299CS..Hα-helixtrans-58.9-49.9173.500000111.1A159 R160 E182 L185 L186A159-A163 PolarHBondContact O-N 3.16Å; R160-A163 PolarHBondContact O-N 3.13Å; A163-E182 HydrophobicContact CB-CB 4.3Å; A163-E182 WeakPolarHBondContact CB-O 3.49Å; A163-L185 HydrophobicContact CB-CB 4.03Å; A163-L186 HydrophobicContact CB-CD1 4.35Å; A163-L186 HydrophobicContact CB-CD2 4.23Å; A163-L186 HydrophobicContact CB-CG 3.89Å
164L91.3Very high92.4Very high46 Ų4661.1 Ų61.124%0.24131%0.308CS..THydrogen-bonded Turntrans-98.530.9-176.6-56.5178.8000112.9R160 R161 H166 V167 I172 L185R160-L164 HydrophobicContact CG-CD1 3.97Å; R160-L164 WeakPolarHBondContact O-CB 3.46Å; R160-L164 PolarHBondContact O-N 3.36Å; R161-L164 CarbonylContact O-C 3.5Å; L164-H166 PolarHBondContact O-N 3.21Å; L164-V167 HydrophobicContact CB-CB 4.36Å; L164-V167 HydrophobicContact CB-CG2 4.29Å; L164-V167 WeakPolarHBondContact O-CB 3.28Å; L164-V167 PolarHBondContact O-N 3.4Å; L164-I172 HydrophobicContact CB-CD1 3.78Å; L164-I172 HydrophobicContact CB-CG1 4.43Å; L164-I172 HydrophobicContact CD1-CG1 4.49Å; L164-L185 HydrophobicContact CD2-CD1 4.12Å
165R87.4Confident92.3Very high47 Ų4757.4 Ų57.418%0.17730%0.295CS..THydrogen-bonded Turntrans-57.8-11.8-173.667.1-169.4170.2-71.4-6116.5P84 R87 M105 R161 L162 H222P84-R165 PolarHBondContact O-NH2 3.01Å; R87-R165 VanDerWaalsContact CZ-NH2 3.3Å; M105-R165 PolarHBondContact SD-NE 3.23Å; M105-R165 VanDerWaalsContact SD-NE 3.43Å; R161-R165 WeakPolarHBondContact O-CA 3.14Å; R161-R165 WeakPolarHBondContact O-CB 3.18Å; R161-R165 PolarHBondContact O-N 3.16Å; R161-R165 VanDerWaalsContact O-N 3.08Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-NH1 3.26Å; R165-H222 PolarHBondContact O-NE2 3.3Å
166H81.8Confident92.2Very high48 Ų4862 Ų6222%0.22232%0.319CS..THydrogen-bonded Turntrans-90.6-12.3175.6-50.9-40000113.2C85 L164 H222 A224C85-H166 PolarHBondContact O-CE1 2.88Å; C85-H166 PolarHBondContact O-NE2 2.85Å; L164-H166 PolarHBondContact O-N 3.21Å; H166-H222 AromaticContact CE1-CE1 3.84Å; H166-H222 AromaticContact ND1-CE1 3.09Å; H166-H222 PolarHBondContact ND1-CE1 3.5Å; H166-H222 AromaticContact ND1-ND1 3.6Å; H166-H222 AromaticContact ND1-NE2 3.83Å; H166-A224 HydrophobicContact CB-CB 4.15Å; H166-A224 VanDerWaalsContact ND1-CB 3.27Å; H166-A224 WeakPolarHBondContact ND1-CB 3.5Å
167V85.4Confident92Very high62 Ų6262.1 Ų62.138%0.37633%0.332SS..SBendtrans-90.3146.5176.4179.70000108.4L164 K169 Q171 I172L164-V167 HydrophobicContact CB-CB 4.36Å; L164-V167 HydrophobicContact CB-CG2 4.29Å; L164-V167 WeakPolarHBondContact O-CB 3.28Å; L164-V167 PolarHBondContact O-N 3.4Å; V167-K169 PolarHBondContact O-N 2.85Å; V167-Q171 HydrophobicContact CG1-CB 4Å; V167-I172 HydrophobicContact CB-CD1 4.08Å; V167-I172 HydrophobicContact CB-CG1 4.36Å; V167-I172 HydrophobicContact CG1-CD1 4.36Å; V167-I172 HydrophobicContact CG1-CG1 4.11Å
168E84.2Confident91.9Very high119 Ų11962 Ų6256%0.55633%0.332SS*.  trans-59132.9178.9-162.9-168.915500111S170 Q171E168-S170 VanDerWaalsContact CG-OG 3.31Å; E168-S170 WeakPolarHBondContact CG-OG 3.5Å; E168-S170 PolarHBondContact O-N 2.58Å; E168-S170 VanDerWaalsContact O-N 3.14Å; E168-S170 PolarHBondContact OE1-OG 3.34Å; E168-S170 PolarHBondContact OE2-OG 2.83Å; E168-Q171 HydrophobicContact CB-CG 4.12Å; E168-Q171 WeakPolarHBondContact O-CB 3.26Å; E168-Q171 PolarHBondContact O-N 3.5Å; E168-Q171 PolarHBondContact OE2-NE2 3.22Å; E168-Q171 VanDerWaalsContact OE2-NE2 3.13Å
169K86.9Confident91.9Very high155 Ų15561.8 Ų61.867%0.67433%0.33SS*.G310 helixtrans-59.2-29.9-175.9-71.9178.7-179.2171.60113.3V167 Q171 I172V167-K169 PolarHBondContact O-N 2.85Å; K169-Q171 PolarHBondContact O-N 3.15Å; K169-I172 PolarHBondContact O-N 3.45Å; K169-I172 VanDerWaalsContact O-N 3.17Å
170S89.7Confident91.7Very high72 Ų7269.3 Ų69.350%0.50337%0.365SS..G310 helixtrans-64.3-27176.859.50000112.5E168 I172 V173E168-S170 VanDerWaalsContact CG-OG 3.31Å; E168-S170 WeakPolarHBondContact CG-OG 3.5Å; E168-S170 PolarHBondContact O-N 2.58Å; E168-S170 VanDerWaalsContact O-N 3.14Å; E168-S170 PolarHBondContact OE1-OG 3.34Å; E168-S170 PolarHBondContact OE2-OG 2.83Å; S170-I172 VanDerWaalsContact C-N 3.34Å; S170-V173 WeakPolarHBondContact O-CG1 3.37Å
171Q91.7Very high91.5Very high130 Ų13072.9 Ų72.961%0.60739%0.385SS*.G310 helixtrans-84.7-11.4177.5-57.717617.300112.2V167 E168 K169V167-Q171 HydrophobicContact CG1-CB 4Å; E168-Q171 HydrophobicContact CB-CG 4.12Å; E168-Q171 WeakPolarHBondContact O-CB 3.26Å; E168-Q171 PolarHBondContact O-N 3.5Å; E168-Q171 PolarHBondContact OE2-NE2 3.22Å; E168-Q171 VanDerWaalsContact OE2-NE2 3.13Å; K169-Q171 PolarHBondContact O-N 3.15Å
172I93.4Very high91.4Very high5 Ų569.3 Ų69.33%0.02637%0.373CS..  trans-110.285.9-177.8-48.8165.5000109.5L157 R160 R161 L164 V167 K169 S170L157-I172 HydrophobicContact CD1-CG2 4.43Å; L157-I172 WeakPolarHBondContact CD1-O 3.15Å; R160-I172 HydrophobicContact CB-CG2 4.23Å; R160-I172 HydrophobicContact CG-CG2 3.56Å; R161-I172 HydrophobicContact CG-CB 4.03Å; R161-I172 HydrophobicContact CG-CD1 4.25Å; R161-I172 HydrophobicContact CG-CG2 3.65Å; R161-I172 PolarHBondContact NE-O 3.2Å; R161-I172 PolarHBondContact NH2-O 3.18Å; L164-I172 HydrophobicContact CB-CD1 3.78Å; L164-I172 HydrophobicContact CB-CG1 4.43Å; L164-I172 HydrophobicContact CD1-CG1 4.49Å; V167-I172 HydrophobicContact CB-CD1 4.08Å; V167-I172 HydrophobicContact CB-CG1 4.36Å; V167-I172 HydrophobicContact CG1-CD1 4.36Å; V167-I172 HydrophobicContact CG1-CG1 4.11Å; K169-I172 PolarHBondContact O-N 3.45Å; K169-I172 VanDerWaalsContact O-N 3.17Å; S170-I172 VanDerWaalsContact C-N 3.34Å
173V93.6Very high91.4Very high96 Ų9670.4 Ų70.458%0.58238%0.383SS*.  trans-121.4-13.7-175.8-640000114.2S170S170-V173 WeakPolarHBondContact O-CG1 3.37Å
174T94.3Very high91.3Very high67 Ų6774.1 Ų74.141%0.41140%0.402SS..  trans-74.7140.7-175.7540000112.1R160R160-T174 WeakPolarHBondContact CD-OG1 3.16Å; R160-T174 VanDerWaalsContact NH1-C 3.29Å; R160-T174 PolarHBondContact NH1-O 2.97Å; R160-T174 PolarHBondContact NH1-OG1 3.42Å
175T95.2Very high91.2Very high59 Ų5972.2 Ų72.236%0.36239%0.392SS..  trans-111.910.4-179.456.70000113.5A153 R156 L157A153-T175 HydrophobicContact CB-CG2 4.04Å; R156-T175 WeakPolarHBondContact CD-O 3.32Å; L157-T175 HydrophobicContact CB-CG2 4.23Å
176D94.7Very high91.4Very high105 Ų10570.2 Ų70.256%0.56139%0.385SS*.SBendtrans-65.1168.6177-56.3-47.7000111.4R160R160-D176 PolarHBondContact NH1-O 3.48Å; R160-D176 PolarHBondContact NH2-O 3.49Å
177A95Very high91.6Very high61 Ų6173.7 Ų73.750%0.50440%0.402SS..PPolyproline II helixtrans-51.5145.117300000110.7R160R160-A177 PolarHBondContact NH2-O 2.87Å
178L95.3Very high91.1Very high30 Ų3073.3 Ų73.316%0.15740%0.4CS..PPolyproline II helixtrans-65.4138.7175.7-64.3172.1000109.1L116 A159 R160 E182 L186L116-L178 HydrophobicContact CD2-CD1 3.6Å; A159-L178 HydrophobicContact CB-CD1 3.87Å; A159-L178 HydrophobicContact CB-CD2 4.43Å; R160-L178 HydrophobicContact CB-CD2 3.74Å; R160-L178 HydrophobicContact CG-CD2 4.46Å; L178-E182 WeakPolarHBondContact CA-OE2 3.44Å; L178-E182 HydrophobicContact CB-CB 4.14Å; L178-E182 HydrophobicContact CD2-CB 4.11Å; L178-L186 HydrophobicContact CD1-CD1 3.67Å
179S95.3Very high90.9Very high57 Ų5771 Ų7140%0.39939%0.39SS..PPolyproline II helixtrans-66.2164.1166.5630000110.7N181 E182 S183S179-N181 PolarHBondContact O-N 3.44Å; S179-E182 PolarHBondContact N-OE2 3.45Å; S179-E182 PolarHBondContact O-N 3.2Å; S179-E182 WeakPolarHBondContact OG-CB 3.41Å; S179-E182 WeakPolarHBondContact OG-CG 3.42Å; S179-E182 PolarHBondContact OG-N 3.37Å; S179-E182 PolarHBondContact OG-OE2 3.28Å; S179-S183 PolarHBondContact O-N 2.98Å; S179-S183 PolarHBondContact O-OG 3.42Å
180E93.3Very high90.6Very high159 Ų15965.7 Ų65.774%0.74338%0.379SS*.Hα-helixtrans-57-48.7175.6-169.6172.7-168.200111.2E182 S183 D184E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3Å; E180-S183 WeakPolarHBondContact O-CA 3.42Å; E180-S183 WeakPolarHBondContact O-CB 3.37Å; E180-S183 PolarHBondContact O-N 3.2Å; E180-D184 PolarHBondContact O-N 3.43Å
181N91.8Very high90.5Very high88 Ų8865.6 Ų65.647%0.47138%0.376SS..Hα-helixtrans-59.9-38.3176.1178.338.7000113.2S179 S183 L185S179-N181 PolarHBondContact O-N 3.44Å; N181-S183 VanDerWaalsContact C-N 3.32Å; N181-L185 WeakPolarHBondContact O-CB 3.46Å; N181-L185 WeakPolarHBondContact O-CD1 3.44Å; N181-L185 WeakPolarHBondContact O-CG 3.32Å; N181-L185 PolarHBondContact O-N 2.92Å
182E93.9Very high90.4Very high20 Ų2062 Ų629%0.09336%0.364CS..Hα-helixtrans-66.4-36.6174.5-74.2169.6151.300112.1R160 A163 L178 S179 E180 L185 L186R160-E182 WeakPolarHBondContact CD-OE1 3.25Å; R160-E182 WeakPolarHBondContact CG-OE1 3.27Å; R160-E182 IonicContact CZ-OE1 3.79Å; R160-E182 IonicContact CZ-OE2 3.67Å; R160-E182 IonicContact NE-OE1 2.67Å; R160-E182 PolarHBondContact NE-OE1 3.31Å; R160-E182 IonicContact NE-OE2 3.55Å; R160-E182 PolarHBondContact NE-OE2 3.33Å; R160-E182 IonicContact NH2-OE1 2.95Å; R160-E182 IonicContact NH2-OE2 2.74Å; R160-E182 PolarHBondContact NH2-OE2 2.99Å; A163-E182 HydrophobicContact CB-CB 4.3Å; A163-E182 WeakPolarHBondContact CB-O 3.49Å; L178-E182 WeakPolarHBondContact CA-OE2 3.44Å; L178-E182 HydrophobicContact CB-CB 4.14Å; L178-E182 HydrophobicContact CD2-CB 4.11Å; S179-E182 PolarHBondContact N-OE2 3.45Å; S179-E182 PolarHBondContact O-N 3.2Å; S179-E182 WeakPolarHBondContact OG-CB 3.41Å; S179-E182 WeakPolarHBondContact OG-CG 3.42Å; S179-E182 PolarHBondContact OG-N 3.37Å; S179-E182 PolarHBondContact OG-OE2 3.28Å; E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3Å; E182-L185 PolarHBondContact O-N 2.86Å; E182-L186 PolarHBondContact O-N 3.11Å
183S93.1Very high90.3Very high51 Ų5162 Ų6236%0.35736%0.364SS..Hα-helixtrans-69.7-43177.9-550000111.1S179 E180 N181 L185 L186S179-S183 PolarHBondContact O-N 2.98Å; S179-S183 PolarHBondContact O-OG 3.42Å; E180-S183 WeakPolarHBondContact O-CA 3.42Å; E180-S183 WeakPolarHBondContact O-CB 3.37Å; E180-S183 PolarHBondContact O-N 3.2Å; N181-S183 VanDerWaalsContact C-N 3.32Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.14Å; S183-L186 WeakPolarHBondContact O-CB 3.49Å; S183-L186 PolarHBondContact O-N 3.27Å
184D90.3Very high90.2Very high79 Ų7959.8 Ų59.842%0.42235%0.347SS..Hα-helixtrans-62.1-38.4174.6-68.3-19.7000111.9E180 L186 Q187E180-D184 PolarHBondContact O-N 3.43Å; D184-L186 PolarHBondContact O-N 3.07Å; D184-Q187 PolarHBondContact O-N 2.75Å; D184-Q187 PolarHBondContact OD1-NE2 2.96Å
185L89.4Confident90.1Very high7 Ų756.6 Ų56.64%0.03733%0.328CS..Hα-helixtrans-62.9-25.5174.6-79.5171000112.9R87 A163 L164 N181 E182 S183R87-L185 VanDerWaalsContact CD-CD2 3.46Å; R87-L185 HydrophobicContact CG-CD2 3.91Å; R87-L185 VanDerWaalsContact CZ-O 3.3Å; R87-L185 PolarHBondContact NH1-O 3.33Å; R87-L185 PolarHBondContact NH2-O 2.72Å; A163-L185 HydrophobicContact CB-CB 4.03Å; L164-L185 HydrophobicContact CD2-CD1 4.12Å; N181-L185 WeakPolarHBondContact O-CB 3.46Å; N181-L185 WeakPolarHBondContact O-CD1 3.44Å; N181-L185 WeakPolarHBondContact O-CG 3.32Å; N181-L185 PolarHBondContact O-N 2.92Å; E182-L185 PolarHBondContact O-N 2.86Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.14Å
186L90.8Very high90Very high4 Ų454 Ų542%0.02131%0.312CS..Hα-helixtrans-83.7-12.8178.6-76.2166.4000113.7C109 I113 A159 L162 A163 L178 E182 S183 D184 P188C109-L186 WeakPolarHBondContact CB-O 3.33Å; I113-L186 HydrophobicContact CD1-CB 4.25Å; I113-L186 HydrophobicContact CG1-CB 4.37Å; A159-L186 HydrophobicContact CB-CD1 3.83Å; L162-L186 HydrophobicContact CB-CD2 3.9Å; L162-L186 HydrophobicContact CD2-CD2 3.86Å; L162-L186 HydrophobicContact CG-CD2 3.85Å; A163-L186 HydrophobicContact CB-CD1 4.35Å; A163-L186 HydrophobicContact CB-CD2 4.23Å; A163-L186 HydrophobicContact CB-CG 3.89Å; L178-L186 HydrophobicContact CD1-CD1 3.67Å; E182-L186 PolarHBondContact O-N 3.11Å; S183-L186 WeakPolarHBondContact O-CB 3.49Å; S183-L186 PolarHBondContact O-N 3.27Å; D184-L186 PolarHBondContact O-N 3.07Å; L186-P188 WeakPolarHBondContact O-CD 3.44Å; L186-P188 VanDerWaalsContact O-N 3.15Å
187Q86.2Confident89.9Confident122 Ų12249.4 Ų49.457%0.5729%0.288SS*.PPolyproline II helixtrans-61120.2-179-64.4-171.817.700110D184D184-Q187 PolarHBondContact O-N 2.75Å; D184-Q187 PolarHBondContact OD1-NE2 2.96Å
188P75.2Confident89.9Confident54 Ų5446.7 Ų46.735%0.35127%0.265SS..PPolyproline II helixtrans-74.6129.5-177.230.4-34.4000110A106 C109 R110 L186A106-P188 HydrophobicContact CB-CB 4.16Å; C109-P188 HydrophobicContact CB-CB 4.28Å; R110-P188 HydrophobicContact CG-CB 3.93Å; R110-P188 HydrophobicContact CG-CG 3.58Å; L186-P188 WeakPolarHBondContact O-CD 3.44Å; L186-P188 VanDerWaalsContact O-N 3.15Å
189E79.3Confident89.9Confident71 Ų7145.5 Ų45.533%0.33226%0.26SS..PPolyproline II helixtrans-90.7127.8163.7-67.1-176.5-173.500107.9P84 A106 F193P84-E189 VanDerWaalsContact CG-OE2 3.29Å; P84-E189 WeakPolarHBondContact CG-OE2 3.48Å; A106-E189 WeakPolarHBondContact CB-O 3.46Å; E189-F193 VanDerWaalsContact O-CE1 3.27Å; E189-F193 WeakPolarHBondContact O-CE1 3.49Å
190G82.1Confident89.8Confident43 Ų4343.9 Ų43.944%0.44325%0.246SC..PPolyproline II helixtrans-88.4171.3169.200000111.3P192G190-P192 CarbonylContact O-C 3.42Å
191P86.3Confident89.8Confident69 Ų6936.4 Ų36.445%0.44821%0.211SC..SBendtrans-62.9148.5170.825.7-32.4000111.6E97 F193E97-P191 WeakPolarHBondContact O-CB 3.39Å; P191-F193 HydrophobicContact CB-CD2 4.27Å; P191-F193 HydrophobicContact CB-CE2 3.93Å; P191-F193 HydrophobicContact CB-CZ 4.41Å
192P89.7Confident89.9Confident56 Ų5634.7 Ų34.736%0.36420%0.198SC..SBendcis-72.9141.6-3.631.9-35.2000111.5I95 G190 H194I95-P192 HydrophobicContact CG2-CB 3.72Å; I95-P192 HydrophobicContact CG2-CG 4.41Å; G190-P192 CarbonylContact O-C 3.42Å; P192-H194 PolarHBondContact O-CD2 3.05Å; P192-H194 VanDerWaalsContact O-CD2 3.31Å
193F91Very high89.6Confident4 Ų436.7 Ų36.72%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-83.2136.5-179.7-59.2-80.2000110.6L96 L102 E189 P191 L195L96-F193 HydrophobicContact CB-CB 4.37Å; L96-F193 PolarHBondContact N-O 3.44Å; L96-F193 PolarHBondContact O-N 3.1Å; L102-F193 HydrophobicContact CB-CD1 3.9Å; L102-F193 HydrophobicContact CB-CD2 4.18Å; L102-F193 HydrophobicContact CB-CE1 3.57Å; L102-F193 HydrophobicContact CB-CE2 3.9Å; L102-F193 HydrophobicContact CB-CG 4.19Å; L102-F193 HydrophobicContact CB-CZ 3.58Å; L102-F193 HydrophobicContact CD1-CB 3.97Å; L102-F193 HydrophobicContact CD1-CD1 4.01Å; L102-F193 HydrophobicContact CD1-CD2 4.05Å; L102-F193 HydrophobicContact CD1-CG 3.73Å; E189-F193 VanDerWaalsContact O-CE1 3.27Å; E189-F193 WeakPolarHBondContact O-CE1 3.49Å; P191-F193 HydrophobicContact CB-CD2 4.27Å; P191-F193 HydrophobicContact CB-CE2 3.93Å; P191-F193 HydrophobicContact CB-CZ 4.41Å; F193-L195 HydrophobicContact CB-CD2 4.06Å; F193-L195 HydrophobicContact CB-CG 4.23Å
194H92.3Very high89.5Confident49 Ų4935.7 Ų35.723%0.22720%0.2CC..EExtended strand (participates in β ladder)trans-107.4101.5178.9-64.8-88.2000110.3P84 R93 P192P84-H194 WeakPolarHBondContact CD-O 3.23Å; R93-H194 HydrophobicContact CB-CB 4.07Å; R93-H194 WeakPolarHBondContact CD-O 3.25Å; P192-H194 PolarHBondContact O-CD2 3.05Å; P192-H194 VanDerWaalsContact O-CD2 3.31Å
195L92.8Very high89.4Confident0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-111.4152.7-168.5-53.1-174.4000112.5P84 C85 R93 F94 L96 L102 F193 C199 H200P84-L195 HydrophobicContact CG-CD2 3.46Å; P84-L195 VanDerWaalsContact CG-CD2 3.46Å; C85-L195 VanDerWaalsContact SG-CD2 3.54Å; R93-L195 CarbonylContact C-O 3.53Å; R93-L195 VanDerWaalsContact CA-O 3.23Å; R93-L195 WeakPolarHBondContact CA-O 3.33Å; F94-L195 PolarHBondContact N-O 3.28Å; F94-L195 PolarHBondContact O-N 3.12Å; L96-L195 HydrophobicContact CB-CD1 4.21Å; L96-L195 HydrophobicContact CD2-CD1 3.65Å; L102-L195 HydrophobicContact CD1-CD1 3.83Å; L102-L195 HydrophobicContact CD1-CD2 3.95Å; L102-L195 HydrophobicContact CD1-CG 4.43Å; F193-L195 HydrophobicContact CB-CD2 4.06Å; F193-L195 HydrophobicContact CB-CG 4.23Å; L195-C199 HydrophobicContact CB-CB 4.31Å; L195-H200 HydrophobicContact CB-CB 4.15Å
196C93Very high89.1Confident4 Ų434.5 Ų34.53%0.02719%0.193CC..  trans-65.6160.2164.372.60000110.7C83 V90 F198 C199 H200C83-C196 HydrophobicContact CB-CB 3.93Å; C83-C196 PolarHBondContact SG-N 3.41Å; C83-C196 VanDerWaalsContact SG-N 3.36Å; C83-C196 VanDerWaalsContact SG-SG 3.69Å; V90-C196 HydrophobicContact CB-CB 4.45Å; V90-C196 HydrophobicContact CG1-CB 3.78Å; V90-C196 HydrophobicContact CG2-CB 3.98Å; C196-F198 PolarHBondContact O-N 3.23Å; C196-F198 VanDerWaalsContact O-N 3.13Å; C196-C199 PolarHBondContact O-N 2.9Å; C196-C199 VanDerWaalsContact O-N 3.16Å; C196-H200 WeakPolarHBondContact O-CB 3.17Å; C196-H200 PolarHBondContact O-N 3.45Å
197A92.9Very high88.9Confident9 Ų934.8 Ų34.87%0.07420%0.197CC..Hα-helixtrans-53.5-38.5-176.200000113.6F94 A201 F305F94-A197 HydrophobicContact CD2-CB 3.95Å; F94-A197 HydrophobicContact CE2-CB 3.46Å; F94-A197 VanDerWaalsContact CE2-CB 3.46Å; F94-A197 HydrophobicContact CZ-CB 4.22Å; A197-A201 PolarHBondContact O-N 3.39Å; A197-F305 HydrophobicContact CB-CD1 4.31Å; A197-F305 HydrophobicContact CB-CE1 3.61Å
198F95Very high88.9Confident5 Ų533.6 Ų33.62%0.02219%0.188CC..Hα-helixtrans-65.8-52.9178.8-67-98.5000112C196 H200 A201 W202 V227 N230 A231 L234 L300 F305 V311C196-F198 PolarHBondContact O-N 3.23Å; C196-F198 VanDerWaalsContact O-N 3.13Å; F198-H200 VanDerWaalsContact C-N 3.31Å; F198-H200 PolarHBondContact O-N 2.92Å; F198-A201 PolarHBondContact O-N 2.9Å; F198-W202 PolarHBondContact O-N 3.41Å; F198-V227 HydrophobicContact CB-CG1 3.68Å; F198-V227 HydrophobicContact CG-CG1 4.26Å; F198-N230 HydrophobicContact CE1-CB 4.44Å; F198-A231 HydrophobicContact CD1-CB 4.14Å; F198-A231 HydrophobicContact CD2-CB 4.06Å; F198-A231 HydrophobicContact CE1-CB 3.73Å; F198-A231 HydrophobicContact CE2-CB 3.65Å; F198-A231 HydrophobicContact CG-CB 4.31Å; F198-A231 VanDerWaalsContact CZ-CA 3.4Å; F198-A231 HydrophobicContact CZ-CB 3.49Å; F198-A231 VanDerWaalsContact CZ-CB 3.49Å; F198-L234 HydrophobicContact CE1-CD1 3.78Å; F198-L234 HydrophobicContact CZ-CD1 3.87Å; F198-L300 HydrophobicContact CB-CD1 4.43Å; F198-L300 HydrophobicContact CD1-CD1 3.78Å; F198-L300 HydrophobicContact CE1-CD1 4.27Å; F198-L300 HydrophobicContact CG-CD1 4.25Å; F198-F305 HydrophobicContact CD1-CZ 4.25Å; F198-F305 HydrophobicContact CD2-CZ 4.31Å; F198-F305 HydrophobicContact CE1-CE2 4.24Å; F198-F305 AromaticContact CE1-CZ 3.84Å; F198-F305 HydrophobicContact CE1-CZ 3.84Å; F198-F305 HydrophobicContact CE2-CE1 4.32Å; F198-F305 AromaticContact CE2-CZ 3.9Å; F198-F305 HydrophobicContact CE2-CZ 3.9Å; F198-F305 HydrophobicContact CG-CZ 4.45Å; F198-F305 HydrophobicContact CZ-CE1 4.44Å; F198-F305 HydrophobicContact CZ-CE2 4.09Å; F198-F305 AromaticContact CZ-CZ 3.62Å; F198-F305 HydrophobicContact CZ-CZ 3.62Å; F198-V311 HydrophobicContact CE2-CB 4.45Å; F198-V311 HydrophobicContact CE2-CG1 4.36Å; F198-V311 HydrophobicContact CE2-CG2 4.06Å; F198-V311 HydrophobicContact CZ-CB 4.46Å; F198-V311 HydrophobicContact CZ-CG1 4.07Å; F198-V311 HydrophobicContact CZ-CG2 3.94Å
199C93.7Very high89.6Confident5 Ų531.9 Ų31.93%0.03418%0.179CC..Hα-helixtrans-66-38.1-179.9-65.30000111C85 C86 L195 C196 A201 W202 H203C85-C199 HydrophobicContact CB-CB 3.67Å; C85-C199 WeakPolarHBondContact CB-SG 3.4Å; C86-C199 VanDerWaalsContact SG-SG 3.69Å; L195-C199 HydrophobicContact CB-CB 4.31Å; C196-C199 PolarHBondContact O-N 2.9Å; C196-C199 VanDerWaalsContact O-N 3.16Å; C199-A201 VanDerWaalsContact C-N 3.34Å; C199-A201 PolarHBondContact O-N 2.88Å; C199-W202 WeakPolarHBondContact O-CB 3.46Å; C199-W202 PolarHBondContact O-N 3.43Å; C199-W202 VanDerWaalsContact O-N 3.17Å; C199-H203 PolarHBondContact O-CD2 2.85Å; C199-H203 PolarHBondContact O-N 3.06Å
200H93.5Very high90.3Very high23 Ų2328.5 Ų28.511%0.10616%0.163CC..Hα-helixtrans-54.9-48.8172.2179.8-83.9000111.6F94 L195 C196 F198 W202 H203 C204F94-H200 HydrophobicContact CB-CB 4.04Å; L195-H200 HydrophobicContact CB-CB 4.15Å; C196-H200 WeakPolarHBondContact O-CB 3.17Å; C196-H200 PolarHBondContact O-N 3.45Å; F198-H200 VanDerWaalsContact C-N 3.31Å; F198-H200 PolarHBondContact O-N 2.92Å; H200-W202 VanDerWaalsContact C-N 3.33Å; H200-W202 PolarHBondContact O-N 3.26Å; H200-H203 PolarHBondContact O-N 3.46Å; H200-H203 VanDerWaalsContact O-N 3.15Å; H200-C204 WeakPolarHBondContact O-CB 3.17Å; H200-C204 PolarHBondContact O-N 2.87Å
201A93.7Very high90.6Very high1 Ų128.7 Ų28.71%0.00816%0.16CC..Hα-helixtrans-62.8-37.3177.200000113.1A197 F198 C199 H203 C204 L205 A209 A210 L298 L300A197-A201 PolarHBondContact O-N 3.39Å; F198-A201 PolarHBondContact O-N 2.9Å; C199-A201 VanDerWaalsContact C-N 3.34Å; C199-A201 PolarHBondContact O-N 2.88Å; A201-H203 VanDerWaalsContact C-N 3.28Å; A201-H203 PolarHBondContact O-N 3.41Å; A201-C204 CarbonylContact O-C 3.53Å; A201-C204 VanDerWaalsContact O-C 3.23Å; A201-C204 PolarHBondContact O-N 3.43Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-A209 HydrophobicContact CB-CB 3.93Å; A201-A210 HydrophobicContact CB-CB 4.37Å; A201-L298 HydrophobicContact CB-CD2 4.09Å; A201-L300 HydrophobicContact CB-CD1 3.83Å; A201-L300 HydrophobicContact CB-CD2 3.89Å; A201-L300 HydrophobicContact CB-CG 4.45Å
202W92.9Very high90.9Very high52 Ų5229.1 Ų29.120%0.19716%0.156CC..Hα-helixtrans-62.4-33.3174.2-86.358.9000113.1F198 C199 H200 P223 V226 V227 A297 L298F198-W202 PolarHBondContact O-N 3.41Å; C199-W202 WeakPolarHBondContact O-CB 3.46Å; C199-W202 PolarHBondContact O-N 3.43Å; C199-W202 VanDerWaalsContact O-N 3.17Å; H200-W202 VanDerWaalsContact C-N 3.33Å; H200-W202 PolarHBondContact O-N 3.26Å; W202-P223 HydrophobicContact CE3-CB 4.41Å; W202-P223 HydrophobicContact CH2-CB 3.92Å; W202-P223 HydrophobicContact CZ3-CB 3.65Å; W202-P223 HydrophobicContact CZ3-CG 4.19Å; W202-V226 HydrophobicContact CH2-CB 4.41Å; W202-V226 HydrophobicContact CZ2-CB 4.18Å; W202-V226 HydrophobicContact CZ2-CG1 3.99Å; W202-V227 HydrophobicContact CD2-CG2 4.38Å; W202-V227 HydrophobicContact CZ2-CG2 4.28Å; W202-A297 HydrophobicContact CH2-CB 3.44Å; W202-A297 VanDerWaalsContact CH2-CB 3.44Å; W202-A297 HydrophobicContact CZ2-CB 3.8Å; W202-A297 HydrophobicContact CZ3-CB 4.44Å; W202-L298 HydrophobicContact CD2-CB 4.21Å; W202-L298 HydrophobicContact CG-CB 4.25Å; W202-L298 HydrophobicContact CG-CD2 4.39Å; W202-L298 HydrophobicContact CZ2-CB 4.39Å; W202-L298 VanDerWaalsContact CZ2-N 3.3Å; W202-L298 WeakPolarHBondContact CZ2-O 3.29Å; W202-L298 PolarHBondContact NE1-O 3.02Å
203H89.6Confident91.2Very high62 Ų6226.5 Ų26.529%0.28714%0.14SC..Hα-helixtrans-86-24.5176.4-71.8-73.4000113.2C85 L96 S99 C199 H200 A201C85-H203 PolarHBondContact SG-NE2 3.16Å; C85-H203 VanDerWaalsContact SG-NE2 3.45Å; L96-H203 HydrophobicContact CD2-CB 3.47Å; L96-H203 VanDerWaalsContact CD2-CB 3.47Å; S99-H203 PolarHBondContact OG-ND1 2.86Å; C199-H203 PolarHBondContact O-CD2 2.85Å; C199-H203 PolarHBondContact O-N 3.06Å; H200-H203 PolarHBondContact O-N 3.46Å; H200-H203 VanDerWaalsContact O-N 3.15Å; A201-H203 VanDerWaalsContact C-N 3.28Å; A201-H203 PolarHBondContact O-N 3.41Å
204C89.3Confident91.4Very high30 Ų3026.9 Ų26.920%0.20314%0.142CC..  trans-114.766.4179.3-164.30000110.2H200 A201 N206 G207 A210H200-C204 WeakPolarHBondContact O-CB 3.17Å; H200-C204 PolarHBondContact O-N 2.87Å; A201-C204 CarbonylContact O-C 3.53Å; A201-C204 VanDerWaalsContact O-C 3.23Å; A201-C204 PolarHBondContact O-N 3.43Å; C204-N206 PolarHBondContact O-N 2.88Å; C204-N206 VanDerWaalsContact O-N 3.13Å; C204-G207 WeakPolarHBondContact O-CA 3.46Å; C204-G207 PolarHBondContact O-N 2.86Å; C204-A210 WeakPolarHBondContact O-CB 3.34Å
205L89.1Confident91.5Very high22 Ų2225 Ų2512%0.11513%0.133CC..THydrogen-bonded Turntrans-61.5-20.5-176.4-67.7-175.8000114A201 A210 M215 P271 F274 A275 L278 L298A201-L205 PolarHBondContact O-N 3.46Å; L205-A210 WeakPolarHBondContact O-CB 3.38Å; L205-M215 HydrophobicContact CD2-SD 4.33Å; L205-P271 HydrophobicContact CB-CB 4.41Å; L205-P271 HydrophobicContact CD2-CB 4.43Å; L205-P271 CarbonylContact O-C 3.57Å; L205-F274 HydrophobicContact CD1-CB 4.2Å; L205-A275 HydrophobicContact CB-CB 3.78Å; L205-L278 HydrophobicContact CD1-CD1 4.43Å; L205-L298 HydrophobicContact CD2-CB 4.45Å; L205-L298 HydrophobicContact CD2-CD2 3.88Å
206N83.5Confident91.6Very high40 Ų4025 Ų2521%0.21413%0.133CC..THydrogen-bonded Turntrans-95.79.8173.270.4-69.7000113F72 C204 A275 R279F72-N206 WeakPolarHBondContact CE1-O 3.37Å; F72-N206 WeakPolarHBondContact CZ-O 3.43Å; C204-N206 PolarHBondContact O-N 2.88Å; C204-N206 VanDerWaalsContact O-N 3.13Å; N206-A275 HydrophobicContact CB-CB 3.84Å; N206-R279 PolarHBondContact ND2-NH2 2.93Å; N206-R279 PolarHBondContact OD1-NH2 3.26Å; N206-R279 VanDerWaalsContact OD1-NH2 3.14Å
207G86.1Confident91.6Very high10 Ų1028.1 Ų28.110%0.10315%0.145CC..SBendtrans-87.8168.5177.900000112.6C204 A209 A210 A211C204-G207 WeakPolarHBondContact O-CA 3.46Å; C204-G207 PolarHBondContact O-N 2.86Å; G207-A209 PolarHBondContact O-N 3.03Å; G207-A210 PolarHBondContact O-N 2.77Å; G207-A211 PolarHBondContact O-N 3.49Å
208Y86.1Confident91.4Very high97 Ų9728.6 Ų28.638%0.3815%0.146SC..Hα-helixtrans-49.1-55.5-178.2179.2-94.1000113A210 A211Y208-A210 VanDerWaalsContact C-N 3.35Å; Y208-A210 PolarHBondContact O-N 2.98Å; Y208-A211 PolarHBondContact O-N 3.28Å
209A90.7Very high91Very high18 Ų1831.2 Ų31.215%0.14916%0.164CC..Hα-helixtrans-62.2-43.5-174.400000111.6A201 G207 Q212 L300 S304A201-A209 HydrophobicContact CB-CB 3.93Å; G207-A209 PolarHBondContact O-N 3.03Å; A209-Q212 PolarHBondContact O-N 3.34Å; A209-L300 WeakPolarHBondContact O-CD2 3.12Å; A209-S304 WeakPolarHBondContact CB-O 3.49Å; A209-S304 VanDerWaalsContact O-CB 3.3Å; A209-S304 WeakPolarHBondContact O-CB 3.3Å; A209-S304 PolarHBondContact O-OG 3.34Å
210A92.6Very high90.5Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-67.7-35.817900000112.2A201 C204 L205 G207 Y208 Q212 G213 P271 L298A201-A210 HydrophobicContact CB-CB 4.37Å; C204-A210 WeakPolarHBondContact O-CB 3.34Å; L205-A210 WeakPolarHBondContact O-CB 3.38Å; G207-A210 PolarHBondContact O-N 2.77Å; Y208-A210 VanDerWaalsContact C-N 3.35Å; Y208-A210 PolarHBondContact O-N 2.98Å; A210-Q212 PolarHBondContact O-N 2.7Å; A210-Q212 VanDerWaalsContact O-N 3.16Å; A210-G213 WeakPolarHBondContact O-CA 3.48Å; A210-G213 PolarHBondContact O-N 2.86Å; A210-P271 HydrophobicContact CB-CB 4.26Å; A210-P271 VanDerWaalsContact O-CG 3.25Å; A210-P271 WeakPolarHBondContact O-CG 3.47Å; A210-L298 HydrophobicContact CB-CD2 3.93Å
211A90.1Very high89.9Confident47 Ų4740.4 Ų40.439%0.38821%0.213SC..Hα-helixtrans-61.1-25.1178.800000113.7G207 Y208G207-A211 PolarHBondContact O-N 3.49Å; Y208-A211 PolarHBondContact O-N 3.28Å
212Q92.1Very high89.4Confident77 Ų7744 Ų4436%0.3623%0.229SC..THydrogen-bonded Turntrans-89.1-5.2174.8-52.5-55.4-33.100113.1A209 A210 L301 D303A209-Q212 PolarHBondContact O-N 3.34Å; A210-Q212 PolarHBondContact O-N 2.7Å; A210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-L301 VanDerWaalsContact O-CD1 3.26Å; Q212-L301 WeakPolarHBondContact O-CD1 3.35Å; Q212-L301 WeakPolarHBondContact O-CG 3.45Å; Q212-D303 HydrophobicContact CB-CB 4.42Å
213G94.9Very high89.2Confident2 Ų244.6 Ų44.62%0.02124%0.24CC..SBendtrans-92.5-175.1179.300000113.2A210 I299A210-G213 WeakPolarHBondContact O-CA 3.48Å; A210-G213 PolarHBondContact O-N 2.86Å; G213-I299 CarbonylContact C-O 3.46Å; G213-I299 WeakPolarHBondContact CA-O 3.28Å
214V96Very high89Confident11 Ų1142.2 Ų42.27%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-134.3141.9176.7-62.20000110.7V216 V256 W269 I299V214-V216 HydrophobicContact CG2-CG1 4.01Å; V214-V256 HydrophobicContact CG2-CB 4.41Å; V214-V256 HydrophobicContact CG2-CG1 4.19Å; V214-V256 HydrophobicContact CG2-CG2 3.91Å; V214-W269 HydrophobicContact CB-CE3 4.24Å; V214-W269 HydrophobicContact CG1-CE3 3.78Å; V214-W269 HydrophobicContact CG1-CZ3 3.9Å; V214-I299 HydrophobicContact CG2-CB 4Å; V214-I299 PolarHBondContact N-O 2.89Å; V214-I299 PolarHBondContact O-N 2.82Å
215M94.9Very high88.9Confident9 Ų942.8 Ų42.84%0.04424%0.235CC..EExtended strand (participates in β ladder)trans-81.9133.8169.7-55.5-55.5-62.200109.7L205 R259 V262 W269 P271 F274 V296 A297 L298L205-M215 HydrophobicContact CD2-SD 4.33Å; M215-R259 WeakPolarHBondContact O-CB 3.1Å; M215-V262 HydrophobicContact CB-CG1 4.08Å; M215-W269 WeakPolarHBondContact CB-O 3.39Å; M215-W269 WeakPolarHBondContact CG-O 3.38Å; M215-W269 PolarHBondContact N-O 3.39Å; M215-P271 HydrophobicContact CG-CB 4.3Å; M215-P271 HydrophobicContact CG-CG 3.89Å; M215-P271 HydrophobicContact SD-CB 3.81Å; M215-P271 HydrophobicContact SD-CG 3.66Å; M215-F274 HydrophobicContact CB-CD2 4.39Å; M215-F274 HydrophobicContact CB-CE2 3.97Å; M215-F274 HydrophobicContact CB-CZ 4.31Å; M215-F274 HydrophobicContact CG-CD2 3.64Å; M215-F274 HydrophobicContact CG-CE2 3.72Å; M215-F274 HydrophobicContact CG-CG 4.25Å; M215-F274 HydrophobicContact CG-CZ 4.4Å; M215-V296 HydrophobicContact CB-CG1 4.28Å; M215-V296 HydrophobicContact CE-CG1 3.35Å; M215-A297 CarbonylContact C-O 3.54Å; M215-A297 WeakPolarHBondContact CA-O 3.32Å; M215-L298 HydrophobicContact CE-CB 4.44Å; M215-L298 HydrophobicContact SD-CB 4.06Å; M215-L298 HydrophobicContact SD-CD1 3.89Å
216V94.2Very high89Confident0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-132161.5-178.5-55.30000111.1V214 L218 N258 R259 V262 V296 A297 I299V214-V216 HydrophobicContact CG2-CG1 4.01Å; V216-L218 HydrophobicContact CG2-CD1 3.64Å; V216-L218 HydrophobicContact CG2-CG 3.87Å; V216-N258 HydrophobicContact CB-CB 4Å; V216-R259 HydrophobicContact CG1-CB 4.14Å; V216-V262 VanDerWaalsContact CA-CG2 3.48Å; V216-V296 CarbonylContact O-C 3.47Å; V216-V296 WeakPolarHBondContact O-CA 3.46Å; V216-A297 HydrophobicContact CG2-CB 3.96Å; V216-A297 PolarHBondContact N-O 3.29Å; V216-A297 PolarHBondContact O-N 2.93Å; V216-I299 HydrophobicContact CB-CG1 4.26Å; V216-I299 HydrophobicContact CG1-CB 4.44Å; V216-I299 HydrophobicContact CG1-CG1 3.7Å; V216-I299 HydrophobicContact CG2-CD1 3.96Å; V216-I299 HydrophobicContact CG2-CG1 3.51Å
217W92Very high89.3Confident71 Ų7140.3 Ų40.327%0.26922%0.222SC..EExtended strand (participates in β ladder)trans-105.4111.5178.1-174.9-105.9000110.2P219 N258 A261 V262 D294 V296W217-P219 HydrophobicContact CZ2-CB 4.16Å; W217-P219 HydrophobicContact CZ2-CG 4.49Å; W217-N258 PolarHBondContact N-O 3.32Å; W217-N258 VanDerWaalsContact N-O 3.12Å; W217-A261 HydrophobicContact CB-CB 3.95Å; W217-A261 HydrophobicContact CG-CB 4.41Å; W217-V262 HydrophobicContact CB-CG2 3.77Å; W217-V262 VanDerWaalsContact N-CG2 3.27Å; W217-D294 WeakPolarHBondContact CH2-O 2.96Å; W217-D294 WeakPolarHBondContact CZ3-O 3.4Å; W217-V296 HydrophobicContact CE3-CG2 3.67Å; W217-V296 HydrophobicContact CZ3-CG2 3.7Å
218L89.8Confident89.6Confident19 Ų1942.6 Ų42.610%0.09924%0.24CC..  trans-137.568.5-178.6-66.1172.5000109.7V216 D220 L221 V226 L255 N258 G295 A297 I299V216-L218 HydrophobicContact CG2-CD1 3.64Å; V216-L218 HydrophobicContact CG2-CG 3.87Å; L218-D220 VanDerWaalsContact C-N 3.28Å; L218-D220 PolarHBondContact O-N 2.78Å; L218-L221 HydrophobicContact CB-CB 4.36Å; L218-L221 HydrophobicContact CB-CD1 4.42Å; L218-L221 HydrophobicContact CD1-CD1 4.3Å; L218-L221 HydrophobicContact CD2-CD1 4.33Å; L218-L221 PolarHBondContact O-N 2.76Å; L218-V226 HydrophobicContact CD1-CG1 4Å; L218-V226 HydrophobicContact CD1-CG2 4Å; L218-L255 HydrophobicContact CD1-CD2 4.16Å; L218-N258 HydrophobicContact CD2-CB 4.19Å; L218-G295 CarbonylContact C-O 3.23Å; L218-G295 PolarHBondContact N-O 3.42Å; L218-A297 HydrophobicContact CD1-CB 4.41Å; L218-I299 HydrophobicContact CD1-CD1 4.42Å
219P85.8Confident89.9Confident60 Ų6041.6 Ų41.639%0.3924%0.241SC..THydrogen-bonded Turntrans-66.1-29-171.829.1-36.6000113.4W217 L221W217-P219 HydrophobicContact CZ2-CB 4.16Å; W217-P219 HydrophobicContact CZ2-CG 4.49Å; P219-L221 VanDerWaalsContact C-N 3.3Å; P219-L221 PolarHBondContact O-N 2.79Å
220D83.3Confident90Very high154 Ų15440.7 Ų40.782%0.82423%0.234SC*.THydrogen-bonded Turntrans-88.21.6-176.3-52.9-51.5000113.1L218L218-D220 VanDerWaalsContact C-N 3.28Å; L218-D220 PolarHBondContact O-N 2.78Å
221L81.9Confident90.1Very high67 Ų6740.8 Ų40.835%0.35124%0.235SC..SBendtrans-114.6125.5180-68.5178.2000111.6L218 P219 V226 L229L218-L221 HydrophobicContact CB-CB 4.36Å; L218-L221 HydrophobicContact CB-CD1 4.42Å; L218-L221 HydrophobicContact CD1-CD1 4.3Å; L218-L221 HydrophobicContact CD2-CD1 4.33Å; L218-L221 PolarHBondContact O-N 2.76Å; P219-L221 VanDerWaalsContact C-N 3.3Å; P219-L221 PolarHBondContact O-N 2.79Å; L221-V226 HydrophobicContact CB-CG2 3.72Å; L221-V226 HydrophobicContact CD1-CG2 4.29Å; L221-L229 HydrophobicContact CD1-CD1 4.31Å
222H83.1Confident90.3Very high76 Ų7645.3 Ų45.335%0.35224%0.241SC..  trans-60.4138.3170.5-175.8-81.3000110.4R165 H166 A224 S225 V226R165-H222 PolarHBondContact O-NE2 3.3Å; H166-H222 AromaticContact CE1-CE1 3.84Å; H166-H222 AromaticContact ND1-CE1 3.09Å; H166-H222 PolarHBondContact ND1-CE1 3.5Å; H166-H222 AromaticContact ND1-ND1 3.6Å; H166-H222 AromaticContact ND1-NE2 3.83Å; H222-A224 VanDerWaalsContact C-N 3.26Å; H222-A224 WeakPolarHBondContact ND1-CB 3.27Å; H222-A224 PolarHBondContact ND1-N 2.9Å; H222-A224 PolarHBondContact O-N 3.18Å; H222-A224 VanDerWaalsContact O-N 3.1Å; H222-S225 WeakPolarHBondContact O-CA 3.41Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3Å; H222-V226 PolarHBondContact O-N 2.66Å; H222-V226 VanDerWaalsContact O-N 3.16Å
223P87.4Confident90.5Very high64 Ų6441.8 Ų41.842%0.41623%0.226SC..Hα-helixtrans-49.4-40.4-179.2-34.337.7000115.3W202 S225 V226 V227W202-P223 HydrophobicContact CE3-CB 4.41Å; W202-P223 HydrophobicContact CH2-CB 3.92Å; W202-P223 HydrophobicContact CZ3-CB 3.65Å; W202-P223 HydrophobicContact CZ3-CG 4.19Å; P223-S225 VanDerWaalsContact C-N 3.31Å; P223-S225 PolarHBondContact O-N 3.29Å; P223-V226 PolarHBondContact O-N 3.1Å; P223-V227 WeakPolarHBondContact O-CG2 3.47Å; P223-V227 PolarHBondContact O-N 2.9Å
224A85.9Confident90.5Very high12 Ų1241.7 Ų41.710%0.09923%0.225CC..Hα-helixtrans-63.3-34.8176.500000113.3H166 H222 V227 A228H166-A224 HydrophobicContact CB-CB 4.15Å; H166-A224 VanDerWaalsContact ND1-CB 3.27Å; H166-A224 WeakPolarHBondContact ND1-CB 3.5Å; H222-A224 VanDerWaalsContact C-N 3.26Å; H222-A224 WeakPolarHBondContact ND1-CB 3.27Å; H222-A224 PolarHBondContact ND1-N 2.9Å; H222-A224 PolarHBondContact O-N 3.18Å; H222-A224 VanDerWaalsContact O-N 3.1Å; A224-V227 PolarHBondContact O-N 3.4Å; A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 2.92Å
225S87.6Confident90.4Very high43 Ų4342.8 Ų42.830%0.30123%0.229SC..Hα-helixtrans-69.5-40174.9-54.40000110.8H222 P223 A228 L229H222-S225 WeakPolarHBondContact O-CA 3.41Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3Å; P223-S225 VanDerWaalsContact C-N 3.31Å; P223-S225 PolarHBondContact O-N 3.29Å; S225-A228 PolarHBondContact O-N 2.68Å; S225-L229 WeakPolarHBondContact O-CB 3.37Å; S225-L229 WeakPolarHBondContact O-CG 3.4Å; S225-L229 PolarHBondContact O-N 3.28Å
226V90.1Very high90.4Very high1 Ų143 Ų431%0.00623%0.23CC..Hα-helixtrans-61.3-45.5173.4-1760000110.8W202 L218 L221 H222 P223 A228 L229 N230 A297 I299W202-V226 HydrophobicContact CH2-CB 4.41Å; W202-V226 HydrophobicContact CZ2-CB 4.18Å; W202-V226 HydrophobicContact CZ2-CG1 3.99Å; L218-V226 HydrophobicContact CD1-CG1 4Å; L218-V226 HydrophobicContact CD1-CG2 4Å; L221-V226 HydrophobicContact CB-CG2 3.72Å; L221-V226 HydrophobicContact CD1-CG2 4.29Å; H222-V226 PolarHBondContact O-N 2.66Å; H222-V226 VanDerWaalsContact O-N 3.16Å; P223-V226 PolarHBondContact O-N 3.1Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.06Å; V226-L229 PolarHBondContact O-N 3.1Å; V226-N230 VanDerWaalsContact O-CB 3.25Å; V226-N230 WeakPolarHBondContact O-CB 3.39Å; V226-N230 PolarHBondContact O-N 3.32Å; V226-A297 HydrophobicContact CG1-CB 4.08Å; V226-A297 HydrophobicContact CG2-CB 4.4Å; V226-I299 HydrophobicContact CG1-CD1 3.55Å
227V91.7Very high90.5Very high8 Ų844 Ų445%0.04824%0.235CC..Hα-helixtrans-59.3-44.7174.9166.90000111.3C86 F198 W202 P223 A224 A231C86-V227 HydrophobicContact CB-CG1 4Å; F198-V227 HydrophobicContact CB-CG1 3.68Å; F198-V227 HydrophobicContact CG-CG1 4.26Å; W202-V227 HydrophobicContact CD2-CG2 4.38Å; W202-V227 HydrophobicContact CZ2-CG2 4.28Å; P223-V227 WeakPolarHBondContact O-CG2 3.47Å; P223-V227 PolarHBondContact O-N 2.9Å; A224-V227 PolarHBondContact O-N 3.4Å; V227-A231 WeakPolarHBondContact O-CB 3.32Å; V227-A231 PolarHBondContact O-N 3.48Å
228A90.4Very high90.7Very high58 Ų5842.7 Ų42.748%0.47923%0.231SC..Hα-helixtrans-64.2-45179.200000112.3A224 S225 V226 A231 R232A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 2.92Å; S225-A228 PolarHBondContact O-N 2.68Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.06Å; A228-A231 PolarHBondContact O-N 2.87Å; A228-R232 WeakPolarHBondContact O-CB 3.48Å; A228-R232 PolarHBondContact O-N 3.21Å
229L92.4Very high90.8Very high76 Ų7642.9 Ų42.940%0.39823%0.234SC..Hα-helixtrans-63-48176.8-74.2170.8000111.6L221 S225 V226 A231 R232 A233L221-L229 HydrophobicContact CD1-CD1 4.31Å; S225-L229 WeakPolarHBondContact O-CB 3.37Å; S225-L229 WeakPolarHBondContact O-CG 3.4Å; S225-L229 PolarHBondContact O-N 3.28Å; V226-L229 PolarHBondContact O-N 3.1Å; L229-A231 PolarHBondContact O-N 2.92Å; L229-R232 PolarHBondContact O-N 2.65Å; L229-A233 WeakPolarHBondContact O-CB 3.49Å; L229-A233 PolarHBondContact O-N 3.43Å
230N94.7Very high91.2Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-62.1-45.2178.5-173.430.3000111.3F198 V226 R232 A233 L234 L300F198-N230 HydrophobicContact CE1-CB 4.44Å; V226-N230 VanDerWaalsContact O-CB 3.25Å; V226-N230 WeakPolarHBondContact O-CB 3.39Å; V226-N230 PolarHBondContact O-N 3.32Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.03Å; N230-A233 PolarHBondContact O-N 2.99Å; N230-L234 WeakPolarHBondContact O-CG 3.33Å; N230-L234 PolarHBondContact O-N 3.09Å; N230-L300 WeakPolarHBondContact ND2-CB 3.5Å; N230-L300 PolarHBondContact ND2-N 3.48Å; N230-L300 PolarHBondContact OD1-O 3.44Å
231A94.2Very high91.8Very high2 Ų243.8 Ų43.82%0.01724%0.236CC..Hα-helixtrans-64-40.917800000112R88 F198 V227 A228 L229 L234 Q235R88-A231 VanDerWaalsContact NH1-CB 3.31Å; F198-A231 HydrophobicContact CD1-CB 4.14Å; F198-A231 HydrophobicContact CD2-CB 4.06Å; F198-A231 HydrophobicContact CE1-CB 3.73Å; F198-A231 HydrophobicContact CE2-CB 3.65Å; F198-A231 HydrophobicContact CG-CB 4.31Å; F198-A231 VanDerWaalsContact CZ-CA 3.4Å; F198-A231 HydrophobicContact CZ-CB 3.49Å; F198-A231 VanDerWaalsContact CZ-CB 3.49Å; V227-A231 WeakPolarHBondContact O-CB 3.32Å; V227-A231 PolarHBondContact O-N 3.48Å; A228-A231 PolarHBondContact O-N 2.87Å; L229-A231 PolarHBondContact O-N 2.92Å; A231-L234 PolarHBondContact O-N 2.96Å; A231-Q235 VanDerWaalsContact O-CG 3.28Å; A231-Q235 WeakPolarHBondContact O-CG 3.44Å; A231-Q235 PolarHBondContact O-N 2.9Å
232R94.4Very high92.5Very high141 Ų14150.3 Ų50.353%0.53226%0.256SS..Hα-helixtrans-62.9-45.7174.8-176.360.6-175-134.82.6111.2A228 L229 N230 L234 Q235 E236A228-R232 WeakPolarHBondContact O-CB 3.48Å; A228-R232 PolarHBondContact O-N 3.21Å; L229-R232 PolarHBondContact O-N 2.65Å; N230-R232 VanDerWaalsContact C-N 3.35Å; N230-R232 PolarHBondContact O-N 3.03Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.79Å; R232-Q235 WeakPolarHBondContact O-CB 3.42Å; R232-Q235 PolarHBondContact O-N 2.91Å; R232-E236 IonicContact CZ-OE1 3.53Å; R232-E236 IonicContact NE-OE1 3.39Å; R232-E236 PolarHBondContact NE-OE1 3.23Å; R232-E236 IonicContact NH2-OE1 2.66Å; R232-E236 PolarHBondContact NH2-OE1 2.96Å; R232-E236 VanDerWaalsContact O-CG 3.3Å; R232-E236 WeakPolarHBondContact O-CG 3.34Å; R232-E236 PolarHBondContact O-N 3.47Å
233A94.9Very high93.1Very high3 Ų353 Ų533%0.02527%0.269CS..Hα-helixtrans-57.5-44.4178.300000111.9L229 N230 E236 I237 V251 L252L229-A233 WeakPolarHBondContact O-CB 3.49Å; L229-A233 PolarHBondContact O-N 3.43Å; N230-A233 PolarHBondContact O-N 2.99Å; A233-E236 WeakPolarHBondContact O-CB 3.37Å; A233-E236 PolarHBondContact O-N 3.35Å; A233-I237 WeakPolarHBondContact O-CD1 3.33Å; A233-I237 VanDerWaalsContact O-CG1 3.26Å; A233-I237 WeakPolarHBondContact O-CG1 3.43Å; A233-I237 PolarHBondContact O-N 3.09Å; A233-V251 HydrophobicContact CB-CB 4.16Å; A233-V251 HydrophobicContact CB-CG1 3.93Å; A233-L252 HydrophobicContact CB-CB 4.41Å
234L95.9Very high93.4Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-69.6-35.5177.6-66.5-179.7000113F198 N230 A231 R232 E236 I237 F238 L252 L300 P302 F305 V311F198-L234 HydrophobicContact CE1-CD1 3.78Å; F198-L234 HydrophobicContact CZ-CD1 3.87Å; N230-L234 WeakPolarHBondContact O-CG 3.33Å; N230-L234 PolarHBondContact O-N 3.09Å; A231-L234 PolarHBondContact O-N 2.96Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.79Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.33Å; L234-I237 HydrophobicContact CD2-CD1 4.05Å; L234-I237 PolarHBondContact O-N 3.39Å; L234-F238 HydrophobicContact CB-CD2 4.41Å; L234-F238 HydrophobicContact CB-CE2 4.2Å; L234-F238 WeakPolarHBondContact O-CD2 3.39Å; L234-F238 WeakPolarHBondContact O-CG 3.48Å; L234-F238 PolarHBondContact O-N 3.5Å; L234-L252 HydrophobicContact CD2-CD2 4.07Å; L234-L300 HydrophobicContact CD1-CB 4.42Å; L234-P302 HydrophobicContact CD2-CG 3.9Å; L234-F305 HydrophobicContact CD1-CD2 3.94Å; L234-F305 HydrophobicContact CD1-CE2 3.33Å; L234-F305 HydrophobicContact CD1-CZ 4.23Å; L234-V311 HydrophobicContact CB-CG1 3.65Å
235Q94.6Very high94Very high34 Ų3455.4 Ų55.416%0.15927%0.27CS..Hα-helixtrans-60.9-40.4172.1-75-177.2-27.300112.3R88 A231 R232 F238 S239 V311 M312R88-Q235 VanDerWaalsContact CZ-NE2 3.35Å; A231-Q235 VanDerWaalsContact O-CG 3.28Å; A231-Q235 WeakPolarHBondContact O-CG 3.44Å; A231-Q235 PolarHBondContact O-N 2.9Å; R232-Q235 WeakPolarHBondContact O-CB 3.42Å; R232-Q235 PolarHBondContact O-N 2.91Å; Q235-F238 PolarHBondContact O-N 2.99Å; Q235-S239 PolarHBondContact O-N 2.93Å; Q235-V311 HydrophobicContact CG-CG1 3.73Å; Q235-V311 WeakPolarHBondContact CG-O 3.32Å; Q235-V311 PolarHBondContact NE2-O 3.04Å; Q235-M312 PolarHBondContact NE2-O 3.27Å
236E95.2Very high94.4Very high15 Ų1562.5 Ų62.57%0.0729%0.29CS..Hα-helixtrans-65.5-40.9174.4-63.2-62.8149.100111.2R232 A233 L234 S239 R244 V245R232-E236 IonicContact CZ-OE1 3.53Å; R232-E236 IonicContact NE-OE1 3.39Å; R232-E236 PolarHBondContact NE-OE1 3.23Å; R232-E236 IonicContact NH2-OE1 2.66Å; R232-E236 PolarHBondContact NH2-OE1 2.96Å; R232-E236 VanDerWaalsContact O-CG 3.3Å; R232-E236 WeakPolarHBondContact O-CG 3.34Å; R232-E236 PolarHBondContact O-N 3.47Å; A233-E236 WeakPolarHBondContact O-CB 3.37Å; A233-E236 PolarHBondContact O-N 3.35Å; L234-E236 VanDerWaalsContact C-N 3.3Å; L234-E236 PolarHBondContact O-N 3.33Å; E236-S239 WeakPolarHBondContact O-CB 3.39Å; E236-S239 PolarHBondContact O-N 3.07Å; E236-S239 PolarHBondContact O-OG 3Å; E236-R244 VanDerWaalsContact CD-NH2 3.31Å; E236-R244 IonicContact OE1-CZ 3.3Å; E236-R244 IonicContact OE1-NE 2.86Å; E236-R244 IonicContact OE1-NH2 3.55Å; E236-R244 PolarHBondContact OE1-NH2 3.34Å; E236-R244 WeakPolarHBondContact OE2-CB 3.48Å; E236-R244 VanDerWaalsContact OE2-CG 3.28Å; E236-R244 WeakPolarHBondContact OE2-CG 3.42Å; E236-R244 IonicContact OE2-CZ 3.32Å; E236-R244 IonicContact OE2-NE 3.73Å; E236-R244 PolarHBondContact OE2-NE 2.88Å; E236-R244 IonicContact OE2-NH2 3.66Å; E236-R244 PolarHBondContact OE2-NH2 3.27Å; E236-V245 WeakPolarHBondContact O-CA 3.31Å; E236-V245 WeakPolarHBondContact O-CG2 3.48Å; E236-V245 PolarHBondContact O-N 3.3Å
237I95.8Very high94.5Very high21 Ų2167.4 Ų67.411%0.10831%0.313CS..Hα-helixtrans-65.2-36.3177.3-70.4163.3000112.5A233 L234 S239 R249 L252 P302A233-I237 WeakPolarHBondContact O-CD1 3.33Å; A233-I237 VanDerWaalsContact O-CG1 3.26Å; A233-I237 WeakPolarHBondContact O-CG1 3.43Å; A233-I237 PolarHBondContact O-N 3.09Å; L234-I237 HydrophobicContact CD2-CD1 4.05Å; L234-I237 PolarHBondContact O-N 3.39Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-R249 HydrophobicContact CD1-CG 4.23Å; I237-R249 HydrophobicContact CG1-CG 3.95Å; I237-L252 HydrophobicContact CD1-CB 4.06Å; I237-L252 HydrophobicContact CD1-CD2 3.67Å; I237-P302 HydrophobicContact CG2-CG 4.11Å
238F94.8Very high94.4Very high43 Ų4367.1 Ų67.119%0.18931%0.311CS..THydrogen-bonded Turntrans-85.82177.7-64.5-44.6000114.1L234 Q235 P302 K308 V311L234-F238 HydrophobicContact CB-CD2 4.41Å; L234-F238 HydrophobicContact CB-CE2 4.2Å; L234-F238 WeakPolarHBondContact O-CD2 3.39Å; L234-F238 WeakPolarHBondContact O-CG 3.48Å; L234-F238 PolarHBondContact O-N 3.5Å; Q235-F238 PolarHBondContact O-N 2.99Å; F238-P302 HydrophobicContact CE1-CB 4.06Å; F238-P302 HydrophobicContact CZ-CB 4.05Å; F238-K308 HydrophobicContact CB-CB 4.19Å; F238-K308 HydrophobicContact CD1-CB 4.35Å; F238-K308 HydrophobicContact CD2-CB 4.15Å; F238-K308 HydrophobicContact CG-CB 4Å; F238-V311 HydrophobicContact CD2-CB 3.95Å; F238-V311 HydrophobicContact CD2-CG1 3.88Å; F238-V311 HydrophobicContact CD2-CG2 4.3Å; F238-V311 HydrophobicContact CE2-CB 3.95Å; F238-V311 HydrophobicContact CE2-CG1 4.08Å; F238-V311 HydrophobicContact CE2-CG2 3.77Å
239S92.9Very high94.7Very high23 Ų2371.5 Ų71.516%0.16132%0.315CS..SBendtrans-77.1154.8174.479.10000111.8Q235 E236 I237 N241 R244 V245Q235-S239 PolarHBondContact O-N 2.93Å; E236-S239 WeakPolarHBondContact O-CB 3.39Å; E236-S239 PolarHBondContact O-N 3.07Å; E236-S239 PolarHBondContact O-OG 3Å; I237-S239 VanDerWaalsContact C-N 3.29Å; S239-N241 PolarHBondContact O-N 3.4Å; S239-R244 VanDerWaalsContact OG-CB 3.32Å; S239-R244 WeakPolarHBondContact OG-CB 3.31Å; S239-V245 WeakPolarHBondContact O-CG2 3.18Å
240D93.8Very high94.7Very high156 Ų15670.8 Ų70.883%0.83432%0.32SS*.SBendtrans-79.4-7.5176.5-55.5-51.3000112.7R242D240-R242 PolarHBondContact O-N 2.89Å
241N96.1Very high94.6Very high77 Ų7773.9 Ų73.941%0.41234%0.339SS..  trans-86.7113.6-178.3179-33.8000111S239 Q243 R244 V245S239-N241 PolarHBondContact O-N 3.4Å; N241-Q243 VanDerWaalsContact C-N 3.29Å; N241-Q243 PolarHBondContact O-N 3.33Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.4Å; N241-Q243 PolarHBondContact OD1-N 3.13Å; N241-R244 HydrophobicContact CB-CB 3.97Å; N241-R244 HydrophobicContact CB-CG 3.97Å; N241-R244 WeakPolarHBondContact O-CB 3.43Å; N241-R244 PolarHBondContact O-N 3.4Å; N241-R244 VanDerWaalsContact O-N 3.1Å; N241-R244 PolarHBondContact OD1-N 3.08Å; N241-V245 WeakPolarHBondContact O-CG2 3.25Å; N241-V245 PolarHBondContact O-N 3.42Å
242R96.4Very high94.6Very high204 Ų20474.2 Ų74.277%0.7734%0.341SS*.Hα-helixtrans-55.3-36.7-178.2-67.6-175.4178.3-176-0.2114.6D240 R246D240-R242 PolarHBondContact O-N 2.89Å; R242-R246 WeakPolarHBondContact O-CG 3.39Å; R242-R246 PolarHBondContact O-N 3.13Å; R242-R246 VanDerWaalsContact O-N 3.11Å
243Q95.4Very high94.6Very high133 Ų13372.2 Ų72.262%0.62134%0.34SS*.Hα-helixtrans-68.8-44.6178.9-177.5177.8-5.200110.8N241 R246 Q247N241-Q243 VanDerWaalsContact C-N 3.29Å; N241-Q243 PolarHBondContact O-N 3.33Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.4Å; N241-Q243 PolarHBondContact OD1-N 3.13Å; Q243-R246 PolarHBondContact O-N 3.35Å; Q243-Q247 WeakPolarHBondContact O-CG 3.45Å; Q243-Q247 PolarHBondContact O-N 3.41Å
244R95.2Very high94.4Very high98 Ų9874.5 Ų74.537%0.3736%0.359SS..Hα-helixtrans-59.3-46.6174.5-72.3-173.874.7-171.8-3.3111.3E236 S239 N241 R246 Q247 G248E236-R244 VanDerWaalsContact CD-NH2 3.31Å; E236-R244 IonicContact OE1-CZ 3.3Å; E236-R244 IonicContact OE1-NE 2.86Å; E236-R244 IonicContact OE1-NH2 3.55Å; E236-R244 PolarHBondContact OE1-NH2 3.34Å; E236-R244 WeakPolarHBondContact OE2-CB 3.48Å; E236-R244 VanDerWaalsContact OE2-CG 3.28Å; E236-R244 WeakPolarHBondContact OE2-CG 3.42Å; E236-R244 IonicContact OE2-CZ 3.32Å; E236-R244 IonicContact OE2-NE 3.73Å; E236-R244 PolarHBondContact OE2-NE 2.88Å; E236-R244 IonicContact OE2-NH2 3.66Å; E236-R244 PolarHBondContact OE2-NH2 3.27Å; S239-R244 VanDerWaalsContact OG-CB 3.32Å; S239-R244 WeakPolarHBondContact OG-CB 3.31Å; N241-R244 HydrophobicContact CB-CB 3.97Å; N241-R244 HydrophobicContact CB-CG 3.97Å; N241-R244 WeakPolarHBondContact O-CB 3.43Å; N241-R244 PolarHBondContact O-N 3.4Å; N241-R244 VanDerWaalsContact O-N 3.1Å; N241-R244 PolarHBondContact OD1-N 3.08Å; R244-R246 VanDerWaalsContact C-N 3.33Å; R244-R246 PolarHBondContact O-N 3.42Å; R244-Q247 PolarHBondContact O-N 2.95Å; R244-Q247 VanDerWaalsContact O-N 3.14Å; R244-G248 PolarHBondContact O-N 2.84Å
245V97Very high94.2Very high27 Ų2775.2 Ų75.216%0.16436%0.363CS..Hα-helixtrans-56.7-44.7175.51750000112.1E236 S239 N241 G248 R249E236-V245 WeakPolarHBondContact O-CA 3.31Å; E236-V245 WeakPolarHBondContact O-CG2 3.48Å; E236-V245 PolarHBondContact O-N 3.3Å; S239-V245 WeakPolarHBondContact O-CG2 3.18Å; N241-V245 WeakPolarHBondContact O-CG2 3.25Å; N241-V245 PolarHBondContact O-N 3.42Å; V245-G248 PolarHBondContact O-N 2.96Å; V245-R249 WeakPolarHBondContact O-CG 3.21Å; V245-R249 PolarHBondContact O-N 3.14Å
246R96.1Very high94.1Very high192 Ų19274.9 Ų74.973%0.72536%0.363SS*.Hα-helixtrans-62.1-43.8177.4-73.7175.5-177.5179.60.3111.9R242 Q243 R244 R249 A250R242-R246 WeakPolarHBondContact O-CG 3.39Å; R242-R246 PolarHBondContact O-N 3.13Å; R242-R246 VanDerWaalsContact O-N 3.11Å; Q243-R246 PolarHBondContact O-N 3.35Å; R244-R246 VanDerWaalsContact C-N 3.33Å; R244-R246 PolarHBondContact O-N 3.42Å; R246-R249 PolarHBondContact O-N 3.42Å; R246-A250 PolarHBondContact O-N 3.05Å
247Q92.6Very high94Very high105 Ų10580.6 Ų80.649%0.49139%0.39SS..Hα-helixtrans-63.8-45.7177.1-71.2175.4-13.200111.6Q243 R244 R249 A250 V251Q243-Q247 WeakPolarHBondContact O-CG 3.45Å; Q243-Q247 PolarHBondContact O-N 3.41Å; R244-Q247 PolarHBondContact O-N 2.95Å; R244-Q247 VanDerWaalsContact O-N 3.14Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.27Å; Q247-A250 WeakPolarHBondContact O-CB 3.39Å; Q247-A250 PolarHBondContact O-N 3.33Å; Q247-V251 WeakPolarHBondContact O-CG2 3.43Å; Q247-V251 PolarHBondContact O-N 3.46Å
248G89.4Confident93.8Very high1 Ų182.8 Ų82.81%0.0140%0.402CS..Hα-helixtrans-58.3-43.8176.100000112.7R244 V245 V251 L252R244-G248 PolarHBondContact O-N 2.84Å; V245-G248 PolarHBondContact O-N 2.96Å; G248-V251 PolarHBondContact O-N 2.66Å; G248-L252 WeakPolarHBondContact O-CB 3.42Å; G248-L252 PolarHBondContact O-N 3.41Å
249R96.3Very high93.8Very high151 Ų15184.5 Ų84.557%0.5741%0.407SS*.Hα-helixtrans-63.1-40.8174.7-72.3-177.4-179.2-168.1-1.4112.7I237 V245 R246 Q247 L252 N253I237-R249 HydrophobicContact CD1-CG 4.23Å; I237-R249 HydrophobicContact CG1-CG 3.95Å; V245-R249 WeakPolarHBondContact O-CG 3.21Å; V245-R249 PolarHBondContact O-N 3.14Å; R246-R249 PolarHBondContact O-N 3.42Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.27Å; R249-L252 PolarHBondContact O-N 3.49Å; R249-N253 VanDerWaalsContact O-CB 3.31Å; R249-N253 WeakPolarHBondContact O-CB 3.37Å; R249-N253 PolarHBondContact O-N 3.48Å; R249-N253 PolarHBondContact O-ND2 2.83Å
250A94Very high93.7Very high61 Ų6188.3 Ų88.350%0.50443%0.425SS..Hα-helixtrans-61.7-46.1177.800000111.4R246 Q247 N253 A254R246-A250 PolarHBondContact O-N 3.05Å; Q247-A250 WeakPolarHBondContact O-CB 3.39Å; Q247-A250 PolarHBondContact O-N 3.33Å; A250-N253 PolarHBondContact O-N 2.93Å; A250-A254 WeakPolarHBondContact O-CB 3.47Å; A250-A254 PolarHBondContact O-N 3.07Å
251V91Very high93.4Very high65 Ų6582.9 Ų82.939%0.39440%0.402SS..Hα-helixtrans-62.7-47.2176.2175.50000111.1A233 Q247 G248 N253 A254 L255A233-V251 HydrophobicContact CB-CB 4.16Å; A233-V251 HydrophobicContact CB-CG1 3.93Å; Q247-V251 WeakPolarHBondContact O-CG2 3.43Å; Q247-V251 PolarHBondContact O-N 3.46Å; G248-V251 PolarHBondContact O-N 2.66Å; V251-N253 PolarHBondContact O-N 3.1Å; V251-A254 PolarHBondContact O-N 3.27Å; V251-L255 HydrophobicContact CG1-CD1 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.18Å; V251-L255 PolarHBondContact O-N 2.91Å
252L94Very high92.8Very high9 Ų979.3 Ų79.35%0.04738%0.383CS..Hα-helixtrans-61.1-45179.6-176.164.7000111.7A233 L234 I237 G248 R249 A254 L255 V256 I299 L301 P302A233-L252 HydrophobicContact CB-CB 4.41Å; L234-L252 HydrophobicContact CD2-CD2 4.07Å; I237-L252 HydrophobicContact CD1-CB 4.06Å; I237-L252 HydrophobicContact CD1-CD2 3.67Å; G248-L252 WeakPolarHBondContact O-CB 3.42Å; G248-L252 PolarHBondContact O-N 3.41Å; R249-L252 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.02Å; L252-L255 PolarHBondContact O-N 2.86Å; L252-V256 HydrophobicContact CD1-CG2 4.41Å; L252-V256 HydrophobicContact CG-CG2 4.43Å; L252-V256 VanDerWaalsContact O-CG2 3.31Å; L252-V256 WeakPolarHBondContact O-CG2 3.36Å; L252-V256 PolarHBondContact O-N 3.02Å; L252-I299 HydrophobicContact CD1-CG2 3.56Å; L252-L301 HydrophobicContact CD1-CD2 4.31Å; L252-L301 HydrophobicContact CD2-CD2 4.17Å; L252-L301 HydrophobicContact CG-CD2 4.41Å; L252-P302 HydrophobicContact CD2-CG 4.44Å
253N94.5Very high92.5Very high98 Ų9871.4 Ų71.452%0.52436%0.355SS..Hα-helixtrans-60.9-42.5177.2-73.8-13.8000111.6R249 A250 V251 L255 V256 Q257R249-N253 VanDerWaalsContact O-CB 3.31Å; R249-N253 WeakPolarHBondContact O-CB 3.37Å; R249-N253 PolarHBondContact O-N 3.48Å; R249-N253 PolarHBondContact O-ND2 2.83Å; A250-N253 PolarHBondContact O-N 2.93Å; V251-N253 PolarHBondContact O-N 3.1Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.97Å; N253-V256 PolarHBondContact O-N 3.46Å; N253-Q257 VanDerWaalsContact O-CG 3.3Å; N253-Q257 WeakPolarHBondContact O-CG 3.32Å; N253-Q257 PolarHBondContact O-N 3.27Å
254A91.9Very high92.1Very high51 Ų5172.1 Ų72.142%0.42136%0.358SS..Hα-helixtrans-61.4-40.3176.600000111.8A250 V251 L252 N258A250-A254 WeakPolarHBondContact O-CB 3.47Å; A250-A254 PolarHBondContact O-N 3.07Å; V251-A254 PolarHBondContact O-N 3.27Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.02Å; A254-N258 PolarHBondContact O-ND2 3.32Å
255L90.1Very high91.6Very high15 Ų1572.9 Ų72.98%0.07936%0.364CS..Hα-helixtrans-63.3-49.6174.2-67.1171.7000111.3L218 V251 L252 N253 Q257 N258 I299L218-L255 HydrophobicContact CD1-CD2 4.16Å; V251-L255 HydrophobicContact CG1-CD1 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.18Å; V251-L255 PolarHBondContact O-N 2.91Å; L252-L255 PolarHBondContact O-N 2.86Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 2.97Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.46Å; L255-N258 WeakPolarHBondContact O-CB 3.49Å; L255-N258 PolarHBondContact O-N 2.84Å; L255-N258 PolarHBondContact O-ND2 3.36Å; L255-I299 HydrophobicContact CB-CD1 4.04Å; L255-I299 HydrophobicContact CB-CG1 4.13Å; L255-I299 HydrophobicContact CB-CG2 4.3Å; L255-I299 HydrophobicContact CD1-CD1 4.24Å
256V94.4Very high90.8Very high27 Ų2774.4 Ų74.416%0.16437%0.369CS..Hα-helixtrans-63.2-31.3-177.4169.10000112.9V214 L252 N253 N258 R259 I299 L301V214-V256 HydrophobicContact CG2-CB 4.41Å; V214-V256 HydrophobicContact CG2-CG1 4.19Å; V214-V256 HydrophobicContact CG2-CG2 3.91Å; L252-V256 HydrophobicContact CD1-CG2 4.41Å; L252-V256 HydrophobicContact CG-CG2 4.43Å; L252-V256 VanDerWaalsContact O-CG2 3.31Å; L252-V256 WeakPolarHBondContact O-CG2 3.36Å; L252-V256 PolarHBondContact O-N 3.02Å; N253-V256 PolarHBondContact O-N 3.46Å; V256-N258 PolarHBondContact O-N 2.96Å; V256-N258 VanDerWaalsContact O-N 3.15Å; V256-R259 VanDerWaalsContact O-CB 3.28Å; V256-R259 WeakPolarHBondContact O-CB 3.35Å; V256-R259 WeakPolarHBondContact O-CG 3.27Å; V256-R259 PolarHBondContact O-N 3.46Å; V256-I299 HydrophobicContact CG2-CG2 3.97Å; V256-L301 HydrophobicContact CG2-CD2 3.85Å
257Q92.2Very high90.3Very high136 Ų13674.5 Ų74.564%0.63637%0.369SS*.Hα-helixtrans-58.3-26.4177-79.7173.5-4.900113N253 L255 R259 L260N253-Q257 VanDerWaalsContact O-CG 3.3Å; N253-Q257 WeakPolarHBondContact O-CG 3.32Å; N253-Q257 PolarHBondContact O-N 3.27Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.46Å; Q257-R259 PolarHBondContact O-N 3.46Å; Q257-R259 VanDerWaalsContact O-N 3.1Å; Q257-L260 PolarHBondContact O-N 2.96Å
258N91.3Very high90.1Very high66 Ų6670.9 Ų70.935%0.35335%0.354SS..THydrogen-bonded Turntrans-71.92.3175.8-62.9-77.7000113.9V216 W217 L218 A254 L255 V256 L260V216-N258 HydrophobicContact CB-CB 4Å; W217-N258 PolarHBondContact N-O 3.32Å; W217-N258 VanDerWaalsContact N-O 3.12Å; L218-N258 HydrophobicContact CD2-CB 4.19Å; A254-N258 PolarHBondContact O-ND2 3.32Å; L255-N258 WeakPolarHBondContact O-CB 3.49Å; L255-N258 PolarHBondContact O-N 2.84Å; L255-N258 PolarHBondContact O-ND2 3.36Å; V256-N258 PolarHBondContact O-N 2.96Å; V256-N258 VanDerWaalsContact O-N 3.15Å; N258-L260 VanDerWaalsContact C-N 3.3Å
259R94.2Very high90.2Very high79 Ų7974.3 Ų74.330%0.29837%0.367SS..Hα-helixtrans-68.8-26.1172.377.1-172.3178.2102.80.3113.3M215 V216 V256 Q257 A261 V262 E263 W269M215-R259 WeakPolarHBondContact O-CB 3.1Å; V216-R259 HydrophobicContact CG1-CB 4.14Å; V256-R259 VanDerWaalsContact O-CB 3.28Å; V256-R259 WeakPolarHBondContact O-CB 3.35Å; V256-R259 WeakPolarHBondContact O-CG 3.27Å; V256-R259 PolarHBondContact O-N 3.46Å; Q257-R259 PolarHBondContact O-N 3.46Å; Q257-R259 VanDerWaalsContact O-N 3.1Å; R259-A261 VanDerWaalsContact C-N 3.31Å; R259-A261 PolarHBondContact O-N 2.97Å; R259-V262 WeakPolarHBondContact O-CB 3.49Å; R259-V262 PolarHBondContact O-N 2.91Å; R259-V262 VanDerWaalsContact O-N 3.08Å; R259-E263 IonicContact NH1-OE2 3.14Å; R259-E263 PolarHBondContact O-N 3.32Å; R259-W269 HydrophobicContact CB-CB 4.31Å
260L91.9Very high89.9Confident103 Ų10373.5 Ų73.554%0.53936%0.364SS..Hα-helixtrans-61.4-40.7-175.7-65.5177.5000111.7Q257 N258 V262 E263 E264Q257-L260 PolarHBondContact O-N 2.96Å; N258-L260 VanDerWaalsContact C-N 3.3Å; L260-V262 VanDerWaalsContact C-N 3.31Å; L260-V262 PolarHBondContact O-N 3.47Å; L260-E263 PolarHBondContact O-N 3.43Å; L260-E264 WeakPolarHBondContact O-CB 3.45Å; L260-E264 PolarHBondContact O-N 2.87Å
261A87.6Confident89.7Confident43 Ų4370.8 Ų70.836%0.35534%0.341SS..Hα-helixtrans-64.2-35.1175.800000112.6W217 R259 K265W217-A261 HydrophobicContact CB-CB 3.95Å; W217-A261 HydrophobicContact CG-CB 4.41Å; R259-A261 VanDerWaalsContact C-N 3.31Å; R259-A261 PolarHBondContact O-N 2.97Å; A261-K265 WeakPolarHBondContact O-CB 3.47Å; A261-K265 PolarHBondContact O-N 2.8Å; A261-K265 VanDerWaalsContact O-N 3.12Å
262V84.3Confident89.5Confident1 Ų169.5 Ų69.51%0.00634%0.337CS..Hα-helixtrans-69.6-44.6174.9-179.20000110.5M215 V216 W217 R259 L260 E264 K265 F266 T268 F274M215-V262 HydrophobicContact CB-CG1 4.08Å; V216-V262 VanDerWaalsContact CA-CG2 3.48Å; W217-V262 HydrophobicContact CB-CG2 3.77Å; W217-V262 VanDerWaalsContact N-CG2 3.27Å; R259-V262 WeakPolarHBondContact O-CB 3.49Å; R259-V262 PolarHBondContact O-N 2.91Å; R259-V262 VanDerWaalsContact O-N 3.08Å; L260-V262 VanDerWaalsContact C-N 3.31Å; L260-V262 PolarHBondContact O-N 3.47Å; V262-E264 VanDerWaalsContact C-N 3.31Å; V262-E264 PolarHBondContact O-N 3.17Å; V262-K265 PolarHBondContact O-N 3.31Å; V262-F266 HydrophobicContact CG1-CD2 3.77Å; V262-F266 HydrophobicContact CG1-CE2 4.49Å; V262-F266 WeakPolarHBondContact O-CB 3.44Å; V262-F266 WeakPolarHBondContact O-CD2 3.4Å; V262-F266 PolarHBondContact O-N 3.02Å; V262-T268 WeakPolarHBondContact CG1-O 3.41Å; V262-F274 HydrophobicContact CG1-CE1 4.47Å; V262-F274 HydrophobicContact CG1-CE2 4.15Å; V262-F274 HydrophobicContact CG1-CZ 3.53Å
263E89.2Confident89.1Confident39 Ų3972.3 Ų72.318%0.18235%0.352CS..Hα-helixtrans-62.1-39.5177.7-168.3179.2157.300111.9R53 R259 L260 R267 W269R53-E263 IonicContact CZ-OE1 2.76Å; R53-E263 IonicContact NH2-OE1 2.71Å; R53-E263 PolarHBondContact NH2-OE1 2.87Å; R259-E263 IonicContact NH1-OE2 3.14Å; R259-E263 PolarHBondContact O-N 3.32Å; L260-E263 PolarHBondContact O-N 3.43Å; E263-R267 WeakPolarHBondContact O-CA 3.4Å; E263-R267 PolarHBondContact O-N 2.82Å; E263-W269 VanDerWaalsContact OE2-CD1 3.3Å
264E88Confident88.6Confident147 Ų14768 Ų6869%0.68733%0.329SS*.Hα-helixtrans-62.5-47.8174.8-175.3178.3-177.500111.7L260 V262L260-E264 WeakPolarHBondContact O-CB 3.45Å; L260-E264 PolarHBondContact O-N 2.87Å; V262-E264 VanDerWaalsContact C-N 3.31Å; V262-E264 PolarHBondContact O-N 3.17Å
265K82.8Confident88.1Confident115 Ų11566 Ų6650%0.531%0.312SS..Hα-helixtrans-76.2-39.7-175-173175178.6-172.60113.7A261 V262 K292A261-K265 WeakPolarHBondContact O-CB 3.47Å; A261-K265 PolarHBondContact O-N 2.8Å; A261-K265 VanDerWaalsContact O-N 3.12Å; V262-K265 PolarHBondContact O-N 3.31Å; K265-K292 PolarHBondContact NZ-O 3.39Å
266F81Confident87.7Confident58 Ų5868.1 Ų68.125%0.25432%0.324SS..Hα-helixtrans-112.8-3.4-171.4-61.4-80.1000113.7V262 T268 F274 M293 V296V262-F266 HydrophobicContact CG1-CD2 3.77Å; V262-F266 HydrophobicContact CG1-CE2 4.49Å; V262-F266 WeakPolarHBondContact O-CB 3.44Å; V262-F266 WeakPolarHBondContact O-CD2 3.4Å; V262-F266 PolarHBondContact O-N 3.02Å; F266-T268 PolarHBondContact O-N 3.48Å; F266-T268 VanDerWaalsContact O-N 3.07Å; F266-F274 HydrophobicContact CB-CE1 4.45Å; F266-F274 HydrophobicContact CB-CZ 3.91Å; F266-F274 HydrophobicContact CD1-CE1 4.21Å; F266-F274 HydrophobicContact CD1-CZ 4.49Å; F266-F274 HydrophobicContact CD2-CE1 4.11Å; F266-F274 AromaticContact CD2-CZ 3.98Å; F266-F274 HydrophobicContact CD2-CZ 3.98Å; F266-F274 HydrophobicContact CE1-CE1 4.49Å; F266-F274 HydrophobicContact CE2-CE1 4.38Å; F266-F274 HydrophobicContact CG-CE1 4.01Å; F266-F274 AromaticContact CG-CZ 3.89Å; F266-F274 HydrophobicContact CG-CZ 3.89Å; F266-M293 HydrophobicContact CE1-CG 4.28Å; F266-M293 HydrophobicContact CZ-CG 4.24Å; F266-V296 HydrophobicContact CE2-CG2 3.76Å; F266-V296 HydrophobicContact CZ-CG2 4.07Å
267R86.2Confident86.9Confident195 Ų19568.1 Ų68.174%0.73633%0.327SS*.SBendtrans62.16.9-176.3-51.7-57.3-172.3-179.1-0.2115E263E263-R267 WeakPolarHBondContact O-CA 3.4Å; E263-R267 PolarHBondContact O-N 2.82Å
268T88Confident86.2Confident29 Ų2963.2 Ų63.218%0.17830%0.304CS..  trans-153.5153.5175-176.70000109.5V262 F266 R270 D273 F274V262-T268 WeakPolarHBondContact CG1-O 3.41Å; F266-T268 PolarHBondContact O-N 3.48Å; F266-T268 VanDerWaalsContact O-N 3.07Å; T268-R270 PolarHBondContact OG1-N 2.89Å; T268-R270 VanDerWaalsContact OG1-N 3.09Å; T268-D273 VanDerWaalsContact CB-OD2 3.29Å; T268-D273 WeakPolarHBondContact CB-OD2 3.4Å; T268-D273 HydrophobicContact CG2-CB 3.7Å; T268-D273 WeakPolarHBondContact CG2-OD2 3.39Å; T268-D273 PolarHBondContact OG1-OD2 3.28Å; T268-F274 HydrophobicContact CG2-CE2 4.01Å
269W90.5Very high85.4Confident73 Ų7366.6 Ų66.628%0.27731%0.312SS..  trans-117.74170.549.5-100.6000111.4V214 M215 R259 E263 P271V214-W269 HydrophobicContact CB-CE3 4.24Å; V214-W269 HydrophobicContact CG1-CE3 3.78Å; V214-W269 HydrophobicContact CG1-CZ3 3.9Å; M215-W269 WeakPolarHBondContact CB-O 3.39Å; M215-W269 WeakPolarHBondContact CG-O 3.38Å; M215-W269 PolarHBondContact N-O 3.39Å; R259-W269 HydrophobicContact CB-CB 4.31Å; E263-W269 VanDerWaalsContact OE2-CD1 3.3Å; W269-P271 WeakPolarHBondContact O-CD 3.31Å
270R91Very high84.6Confident133 Ų13372.3 Ų72.350%0.50233%0.334SS..  trans-80.6123.2-172.5-65.5179.4175.6-176.5-0.2110.7T268 A272 D273 F274T268-R270 PolarHBondContact OG1-N 2.89Å; T268-R270 VanDerWaalsContact OG1-N 3.09Å; R270-A272 VanDerWaalsContact C-N 3.25Å; R270-A272 PolarHBondContact O-N 3.22Å; R270-A272 VanDerWaalsContact O-N 3.16Å; R270-D273 PolarHBondContact O-N 3.22Å; R270-D273 VanDerWaalsContact O-N 3.07Å; R270-F274 WeakPolarHBondContact O-CD2 3.12Å
271P90.5Very high83.6Confident4 Ų472.4 Ų72.43%0.02633%0.327CS..Hα-helixtrans-56.9-34.3-177.1-30.940.7000114.7L205 A210 M215 W269 D273 F274 A275 L298L205-P271 HydrophobicContact CB-CB 4.41Å; L205-P271 HydrophobicContact CD2-CB 4.43Å; L205-P271 CarbonylContact O-C 3.57Å; A210-P271 HydrophobicContact CB-CB 4.26Å; A210-P271 VanDerWaalsContact O-CG 3.25Å; A210-P271 WeakPolarHBondContact O-CG 3.47Å; M215-P271 HydrophobicContact CG-CB 4.3Å; M215-P271 HydrophobicContact CG-CG 3.89Å; M215-P271 HydrophobicContact SD-CB 3.81Å; M215-P271 HydrophobicContact SD-CG 3.66Å; W269-P271 WeakPolarHBondContact O-CD 3.31Å; P271-D273 VanDerWaalsContact C-N 3.32Å; P271-D273 PolarHBondContact O-N 3.39Å; P271-F274 PolarHBondContact O-N 3.48Å; P271-A275 PolarHBondContact O-N 2.91Å; P271-L298 HydrophobicContact CB-CD1 4.17Å; P271-L298 HydrophobicContact CG-CD1 3.51Å
272A85.9Confident83Confident39 Ų3973.5 Ų73.532%0.32233%0.33SS..Hα-helixtrans-60.1-39177.400000113R270 F274 A275 D276R270-A272 VanDerWaalsContact C-N 3.25Å; R270-A272 PolarHBondContact O-N 3.22Å; R270-A272 VanDerWaalsContact O-N 3.16Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 3.26Å; A272-A275 WeakPolarHBondContact O-CB 3.5Å; A272-A275 PolarHBondContact O-N 2.83Å; A272-D276 PolarHBondContact O-N 2.88Å
273D85Confident82.5Confident67 Ų6778 Ų7836%0.35836%0.36SS..Hα-helixtrans-65.9-36.4179.8-61-18.5000111.1T268 R270 P271 D276 A277T268-D273 VanDerWaalsContact CB-OD2 3.29Å; T268-D273 WeakPolarHBondContact CB-OD2 3.4Å; T268-D273 HydrophobicContact CG2-CB 3.7Å; T268-D273 WeakPolarHBondContact CG2-OD2 3.39Å; T268-D273 PolarHBondContact OG1-OD2 3.28Å; R270-D273 PolarHBondContact O-N 3.22Å; R270-D273 VanDerWaalsContact O-N 3.07Å; P271-D273 VanDerWaalsContact C-N 3.32Å; P271-D273 PolarHBondContact O-N 3.39Å; D273-D276 PolarHBondContact O-N 3.02Å; D273-A277 WeakPolarHBondContact O-CB 3.36Å; D273-A277 PolarHBondContact O-N 3.19Å
274F84.8Confident81.8Confident9 Ų980.8 Ų80.84%0.03939%0.389CS..Hα-helixtrans-69.3-38.8174.2-72-100.8000111.7L205 M215 V262 F266 T268 R270 P271 A272 D276 A277 L278 M293 V296L205-F274 HydrophobicContact CD1-CB 4.2Å; M215-F274 HydrophobicContact CB-CD2 4.39Å; M215-F274 HydrophobicContact CB-CE2 3.97Å; M215-F274 HydrophobicContact CB-CZ 4.31Å; M215-F274 HydrophobicContact CG-CD2 3.64Å; M215-F274 HydrophobicContact CG-CE2 3.72Å; M215-F274 HydrophobicContact CG-CG 4.25Å; M215-F274 HydrophobicContact CG-CZ 4.4Å; V262-F274 HydrophobicContact CG1-CE1 4.47Å; V262-F274 HydrophobicContact CG1-CE2 4.15Å; V262-F274 HydrophobicContact CG1-CZ 3.53Å; F266-F274 HydrophobicContact CB-CE1 4.45Å; F266-F274 HydrophobicContact CB-CZ 3.91Å; F266-F274 HydrophobicContact CD1-CE1 4.21Å; F266-F274 HydrophobicContact CD1-CZ 4.49Å; F266-F274 HydrophobicContact CD2-CE1 4.11Å; F266-F274 AromaticContact CD2-CZ 3.98Å; F266-F274 HydrophobicContact CD2-CZ 3.98Å; F266-F274 HydrophobicContact CE1-CE1 4.49Å; F266-F274 HydrophobicContact CE2-CE1 4.38Å; F266-F274 HydrophobicContact CG-CE1 4.01Å; F266-F274 AromaticContact CG-CZ 3.89Å; F266-F274 HydrophobicContact CG-CZ 3.89Å; T268-F274 HydrophobicContact CG2-CE2 4.01Å; R270-F274 WeakPolarHBondContact O-CD2 3.12Å; P271-F274 PolarHBondContact O-N 3.48Å; A272-F274 VanDerWaalsContact C-N 3.3Å; A272-F274 PolarHBondContact O-N 3.26Å; F274-D276 VanDerWaalsContact C-N 3.35Å; F274-A277 PolarHBondContact O-N 3.46Å; F274-L278 WeakPolarHBondContact O-CB 3.35Å; F274-L278 WeakPolarHBondContact O-CG 3.39Å; F274-L278 PolarHBondContact O-N 2.86Å; F274-M293 HydrophobicContact CD1-SD 3.83Å; F274-M293 HydrophobicContact CE1-SD 4.4Å; F274-V296 HydrophobicContact CE1-CG1 4.17Å
275A82.3Confident81.2Confident8 Ų878.7 Ų78.77%0.06638%0.38CS..Hα-helixtrans-61.3-45.2174.700000111.3L205 N206 P271 A272 L278 R279L205-A275 HydrophobicContact CB-CB 3.78Å; N206-A275 HydrophobicContact CB-CB 3.84Å; P271-A275 PolarHBondContact O-N 2.91Å; A272-A275 WeakPolarHBondContact O-CB 3.5Å; A272-A275 PolarHBondContact O-N 2.83Å; A275-L278 PolarHBondContact O-N 2.96Å; A275-R279 WeakPolarHBondContact O-CG 3.45Å; A275-R279 PolarHBondContact O-N 3.32Å
276D81Confident80.7Confident60 Ų6077 Ų7732%0.32137%0.37SS..Hα-helixtrans-68.3-39.5179.6-76.7-10.4000112A272 D273 F274 R279 R280A272-D276 PolarHBondContact O-N 2.88Å; D273-D276 PolarHBondContact O-N 3.02Å; F274-D276 VanDerWaalsContact C-N 3.35Å; D276-R279 PolarHBondContact O-N 2.89Å; D276-R279 IonicContact OD1-NH1 3.44Å; D276-R280 VanDerWaalsContact O-CG 3.31Å; D276-R280 WeakPolarHBondContact O-CG 3.44Å; D276-R280 PolarHBondContact O-N 2.86Å
277A78.2Confident80.3Confident27 Ų2781 Ų8122%0.22339%0.387CS..Hα-helixtrans-58.4-51.5170.200000110.8D273 F274 R279 R280 W281D273-A277 WeakPolarHBondContact O-CB 3.36Å; D273-A277 PolarHBondContact O-N 3.19Å; F274-A277 PolarHBondContact O-N 3.46Å; A277-R279 PolarHBondContact O-N 2.74Å; A277-R280 PolarHBondContact O-N 3.48Å; A277-W281 HydrophobicContact CB-CE3 4.33Å; A277-W281 HydrophobicContact CB-CZ3 3.97Å; A277-W281 PolarHBondContact O-N 3.32Å; A277-W281 VanDerWaalsContact O-N 3.12Å
278L76Confident79.9Confident32 Ų3275.2 Ų75.217%0.16837%0.374CS..Hα-helixtrans-57.5-35.5178.1-81.2169.8000113.5L205 F274 A275 R286 L289 M293L205-L278 HydrophobicContact CD1-CD1 4.43Å; F274-L278 WeakPolarHBondContact O-CB 3.35Å; F274-L278 WeakPolarHBondContact O-CG 3.39Å; F274-L278 PolarHBondContact O-N 2.86Å; A275-L278 PolarHBondContact O-N 2.96Å; L278-R286 PolarHBondContact O-NE 2.94Å; L278-L289 HydrophobicContact CD2-CD2 3.88Å; L278-L289 HydrophobicContact CD2-CG 4.36Å; L278-L289 HydrophobicContact CG-CD2 4.4Å; L278-M293 HydrophobicContact CD1-CE 4.22Å; L278-M293 HydrophobicContact CD2-CE 3.63Å; L278-M293 HydrophobicContact CG-CE 4.01Å
279R75.5Confident79.2Confident137 Ų13774.7 Ų74.752%0.51737%0.37SS..Hα-helixtrans-69.8-44.7177.1-77.2171.7175.5170.3-5112.8N206 A275 D276 A277 W281N206-R279 PolarHBondContact ND2-NH2 2.93Å; N206-R279 PolarHBondContact OD1-NH2 3.26Å; N206-R279 VanDerWaalsContact OD1-NH2 3.14Å; A275-R279 WeakPolarHBondContact O-CG 3.45Å; A275-R279 PolarHBondContact O-N 3.32Å; D276-R279 PolarHBondContact O-N 2.89Å; D276-R279 IonicContact OD1-NH1 3.44Å; A277-R279 PolarHBondContact O-N 2.74Å; R279-W281 VanDerWaalsContact C-N 3.29Å; R279-W281 PolarHBondContact O-N 3.33Å
280R76.1Confident78.4Confident199 Ų19975.5 Ų75.575%0.75137%0.373SS*.Hα-helixtrans-69.5-26.3-178.2-69.9176-168-1766.3112.7D276 A277D276-R280 VanDerWaalsContact O-CG 3.31Å; D276-R280 WeakPolarHBondContact O-CG 3.44Å; D276-R280 PolarHBondContact O-N 2.86Å; A277-R280 PolarHBondContact O-N 3.48Å
281W71.8Confident77.8Confident105 Ų10574.3 Ų74.340%0.39837%0.373SS..SBendtrans-72.7132.5178.9-102.3-101.8000112.5A277 R279 R286 L289A277-W281 HydrophobicContact CB-CE3 4.33Å; A277-W281 HydrophobicContact CB-CZ3 3.97Å; A277-W281 PolarHBondContact O-N 3.32Å; A277-W281 VanDerWaalsContact O-N 3.12Å; R279-W281 VanDerWaalsContact C-N 3.29Å; R279-W281 PolarHBondContact O-N 3.33Å; W281-R286 HydrophobicContact CB-CG 4.39Å; W281-R286 PolarHBondContact O-NE 2.92Å; W281-R286 VanDerWaalsContact O-NE 3.09Å; W281-L289 HydrophobicContact CB-CD2 3.97Å; W281-L289 HydrophobicContact CD2-CD2 3.71Å; W281-L289 HydrophobicContact CE3-CD2 4.08Å; W281-L289 HydrophobicContact CG-CD2 3.7Å
282P74.7Confident77.2Confident66 Ų6680.8 Ų80.843%0.42940%0.401SS..  trans-57.5143.1175.8-24.132.9000111.8A284 Q285 R286P282-A284 PolarHBondContact O-N 3.33Å; P282-A284 VanDerWaalsContact O-N 3.08Å; P282-Q285 PolarHBondContact O-N 2.99Å; P282-R286 PolarHBondContact O-N 2.86Å
283P73.6Confident77Confident97 Ų9780.1 Ų80.163%0.6339%0.391SS*.G310 helixtrans-48.7-41.1-178.7-3035.4000114.4Q285 R286P283-Q285 VanDerWaalsContact C-N 3.25Å; P283-Q285 PolarHBondContact O-N 3.09Å; P283-R286 PolarHBondContact O-N 3Å
284A75.4Confident76.8Confident96 Ų9682.6 Ų82.679%0.79340%0.404SS*.G310 helixtrans-62-27.9179.100000114.1P282P282-A284 PolarHBondContact O-N 3.33Å; P282-A284 VanDerWaalsContact O-N 3.08Å
285Q74.7Confident76.9Confident104 Ų10482.8 Ų82.849%0.48641%0.409SS..G310 helixtrans-99.2-8.2-178.3-63.3-177.610.900113.1P282 P283 K287 T288 L289P282-Q285 PolarHBondContact O-N 2.99Å; P283-Q285 VanDerWaalsContact C-N 3.25Å; P283-Q285 PolarHBondContact O-N 3.09Å; Q285-K287 PolarHBondContact O-N 2.87Å; Q285-T288 PolarHBondContact O-N 3.19Å; Q285-L289 PolarHBondContact O-N 3.41Å; Q285-L289 VanDerWaalsContact O-N 3.08Å
286R72.3Confident77.3Confident80 Ų8083.4 Ų83.430%0.30241%0.412SS..Hα-helixtrans-60.5-31-178.8-70.6179.9-172.9168.9-2.9112.3L278 W281 P282 P283 L289 R290L278-R286 PolarHBondContact O-NE 2.94Å; W281-R286 HydrophobicContact CB-CG 4.39Å; W281-R286 PolarHBondContact O-NE 2.92Å; W281-R286 VanDerWaalsContact O-NE 3.09Å; P282-R286 PolarHBondContact O-N 2.86Å; P283-R286 PolarHBondContact O-N 3Å; R286-L289 PolarHBondContact O-N 3.41Å; R286-R290 VanDerWaalsContact O-CG 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.28Å; R286-R290 PolarHBondContact O-N 3.28Å
287K73.7Confident77.9Confident140 Ų14080.8 Ų80.861%0.60940%0.398SS*.Hα-helixtrans-61.7-50.9175.2-171.9-176175.2-1700111.4Q285 L289 R290 E291Q285-K287 PolarHBondContact O-N 2.87Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 PolarHBondContact O-N 2.91Å; K287-R290 WeakPolarHBondContact O-CB 3.42Å; K287-R290 PolarHBondContact O-N 2.75Å; K287-R290 VanDerWaalsContact O-N 3.12Å; K287-E291 VanDerWaalsContact CE-OE1 3.31Å; K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 WeakPolarHBondContact O-CG 3.47Å; K287-E291 PolarHBondContact O-N 3.06Å
288T76.5Confident78.8Confident74 Ų7479.5 Ų79.545%0.45439%0.388SS..Hα-helixtrans-61.7-37.8177.4-520000112.1Q285 E291 K292Q285-T288 PolarHBondContact O-N 3.19Å; T288-E291 PolarHBondContact O-N 3.23Å; T288-K292 PolarHBondContact O-N 3.42Å; T288-K292 VanDerWaalsContact O-N 3.09Å
289L73.5Confident79.8Confident18 Ų1878 Ų789%0.09438%0.38CS..Hα-helixtrans-64.6-42.6174.3-179.458.6000111.5L278 W281 Q285 R286 K287 E291 K292 M293L278-L289 HydrophobicContact CD2-CD2 3.88Å; L278-L289 HydrophobicContact CD2-CG 4.36Å; L278-L289 HydrophobicContact CG-CD2 4.4Å; W281-L289 HydrophobicContact CB-CD2 3.97Å; W281-L289 HydrophobicContact CD2-CD2 3.71Å; W281-L289 HydrophobicContact CE3-CD2 4.08Å; W281-L289 HydrophobicContact CG-CD2 3.7Å; Q285-L289 PolarHBondContact O-N 3.41Å; Q285-L289 VanDerWaalsContact O-N 3.08Å; R286-L289 PolarHBondContact O-N 3.41Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 PolarHBondContact O-N 2.91Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 3.41Å; L289-K292 PolarHBondContact O-N 3.44Å; L289-M293 HydrophobicContact CD1-CE 4.48Å; L289-M293 HydrophobicContact CD1-CG 4.46Å; L289-M293 HydrophobicContact CD1-SD 4.3Å; L289-M293 HydrophobicContact CG-CE 3.88Å; L289-M293 HydrophobicContact CG-SD 4.3Å; L289-M293 WeakPolarHBondContact O-CG 3.33Å; L289-M293 PolarHBondContact O-N 2.94Å; L289-M293 VanDerWaalsContact O-N 3.12Å
290R74.7Confident80.8Confident90 Ų9071.5 Ų71.534%0.3436%0.355SS..Hα-helixtrans-61-40.1174.9-72.7175.3-170.6-73.5-3112.1R286 K287 K292 M293 D294R286-R290 VanDerWaalsContact O-CG 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.28Å; R286-R290 PolarHBondContact O-N 3.28Å; K287-R290 WeakPolarHBondContact O-CB 3.42Å; K287-R290 PolarHBondContact O-N 2.75Å; K287-R290 VanDerWaalsContact O-N 3.12Å; R290-K292 VanDerWaalsContact C-N 3.35Å; R290-K292 PolarHBondContact O-N 2.94Å; R290-M293 HydrophobicContact CG-CE 4.49Å; R290-M293 CarbonylContact O-C 3.52Å; R290-M293 PolarHBondContact O-N 2.77Å; R290-M293 VanDerWaalsContact O-N 3.16Å; R290-D294 PolarHBondContact O-N 2.9Å
291E78.7Confident81.8Confident109 Ų10964.1 Ų64.151%0.50933%0.331SS..Hα-helixtrans-62-39.9174.6-70.3164.6-178.400111.9K287 T288 L289 M293 D294K287-E291 VanDerWaalsContact CE-OE1 3.31Å; K287-E291 WeakPolarHBondContact CE-OE1 3.4Å; K287-E291 WeakPolarHBondContact O-CG 3.47Å; K287-E291 PolarHBondContact O-N 3.06Å; T288-E291 PolarHBondContact O-N 3.23Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 3.41Å; E291-M293 PolarHBondContact O-N 3.31Å; E291-D294 VanDerWaalsContact O-CB 3.26Å; E291-D294 WeakPolarHBondContact O-CB 3.47Å; E291-D294 PolarHBondContact O-N 3.01Å
292K76.6Confident82.9Confident139 Ų13961 Ų6160%0.60432%0.324SS*.Hα-helixtrans-66.8-26.5175-71.9-178.2179.1-176.20113.7K265 T288 L289 R290K265-K292 PolarHBondContact NZ-O 3.39Å; T288-K292 PolarHBondContact O-N 3.42Å; T288-K292 VanDerWaalsContact O-N 3.09Å; L289-K292 PolarHBondContact O-N 3.44Å; R290-K292 VanDerWaalsContact C-N 3.35Å; R290-K292 PolarHBondContact O-N 2.94Å
293M81.7Confident83.8Confident26 Ų2663.2 Ų63.213%0.12833%0.332CS..THydrogen-bonded Turntrans-96.19.6176.8-61.7-176.7-53.100112.4F266 F274 L278 L289 R290 E291 G295 V296F266-M293 HydrophobicContact CE1-CG 4.28Å; F266-M293 HydrophobicContact CZ-CG 4.24Å; F274-M293 HydrophobicContact CD1-SD 3.83Å; F274-M293 HydrophobicContact CE1-SD 4.4Å; L278-M293 HydrophobicContact CD1-CE 4.22Å; L278-M293 HydrophobicContact CD2-CE 3.63Å; L278-M293 HydrophobicContact CG-CE 4.01Å; L289-M293 HydrophobicContact CD1-CE 4.48Å; L289-M293 HydrophobicContact CD1-CG 4.46Å; L289-M293 HydrophobicContact CD1-SD 4.3Å; L289-M293 HydrophobicContact CG-CE 3.88Å; L289-M293 HydrophobicContact CG-SD 4.3Å; L289-M293 WeakPolarHBondContact O-CG 3.33Å; L289-M293 PolarHBondContact O-N 2.94Å; L289-M293 VanDerWaalsContact O-N 3.12Å; R290-M293 HydrophobicContact CG-CE 4.49Å; R290-M293 CarbonylContact O-C 3.52Å; R290-M293 PolarHBondContact O-N 2.77Å; R290-M293 VanDerWaalsContact O-N 3.16Å; E291-M293 PolarHBondContact O-N 3.31Å; M293-G295 PolarHBondContact O-N 3.18Å; M293-V296 HydrophobicContact CB-CB 4.31Å; M293-V296 HydrophobicContact CB-CG2 4.04Å; M293-V296 VanDerWaalsContact O-CB 3.24Å; M293-V296 WeakPolarHBondContact O-CB 3.43Å; M293-V296 WeakPolarHBondContact O-CG2 3.37Å; M293-V296 PolarHBondContact O-N 3.47Å
294D81.9Confident84.7Confident118 Ų11858.7 Ų58.763%0.63130%0.303SS*.THydrogen-bonded Turntrans-56.7132.5175.7-173.133.8000109.8W217 R290 E291 V296W217-D294 WeakPolarHBondContact CH2-O 2.96Å; W217-D294 WeakPolarHBondContact CZ3-O 3.4Å; R290-D294 PolarHBondContact O-N 2.9Å; E291-D294 VanDerWaalsContact O-CB 3.26Å; E291-D294 WeakPolarHBondContact O-CB 3.47Å; E291-D294 PolarHBondContact O-N 3.01Å; D294-V296 VanDerWaalsContact C-N 3.3Å; D294-V296 PolarHBondContact O-N 3.26Å
295G86.5Confident85.4Confident13 Ų1354.9 Ų54.913%0.13427%0.268CS..THydrogen-bonded Turntrans81.5-8.5-171.900000116.4L218 M293L218-G295 CarbonylContact C-O 3.23Å; L218-G295 PolarHBondContact N-O 3.42Å; M293-G295 PolarHBondContact O-N 3.18Å
296V90.8Very high85.8Confident22 Ų2254.9 Ų54.913%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-72.1130.2168.7179.80000109.4M215 V216 W217 F266 F274 M293 D294M215-V296 HydrophobicContact CB-CG1 4.28Å; M215-V296 HydrophobicContact CE-CG1 3.35Å; V216-V296 CarbonylContact O-C 3.47Å; V216-V296 WeakPolarHBondContact O-CA 3.46Å; W217-V296 HydrophobicContact CE3-CG2 3.67Å; W217-V296 HydrophobicContact CZ3-CG2 3.7Å; F266-V296 HydrophobicContact CE2-CG2 3.76Å; F266-V296 HydrophobicContact CZ-CG2 4.07Å; F274-V296 HydrophobicContact CE1-CG1 4.17Å; M293-V296 HydrophobicContact CB-CB 4.31Å; M293-V296 HydrophobicContact CB-CG2 4.04Å; M293-V296 VanDerWaalsContact O-CB 3.24Å; M293-V296 WeakPolarHBondContact O-CB 3.43Å; M293-V296 WeakPolarHBondContact O-CG2 3.37Å; M293-V296 PolarHBondContact O-N 3.47Å; D294-V296 VanDerWaalsContact C-N 3.3Å; D294-V296 PolarHBondContact O-N 3.26Å
297A93.8Very high86.5Confident4 Ų453.7 Ų53.73%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-131.9153.4-177.600000112W202 M215 V216 L218 V226W202-A297 HydrophobicContact CH2-CB 3.44Å; W202-A297 VanDerWaalsContact CH2-CB 3.44Å; W202-A297 HydrophobicContact CZ2-CB 3.8Å; W202-A297 HydrophobicContact CZ3-CB 4.44Å; M215-A297 CarbonylContact C-O 3.54Å; M215-A297 WeakPolarHBondContact CA-O 3.32Å; V216-A297 HydrophobicContact CG2-CB 3.96Å; V216-A297 PolarHBondContact N-O 3.29Å; V216-A297 PolarHBondContact O-N 2.93Å; L218-A297 HydrophobicContact CD1-CB 4.41Å; V226-A297 HydrophobicContact CG1-CB 4.08Å; V226-A297 HydrophobicContact CG2-CB 4.4Å
298L96Very high87.1Confident1 Ų151.4 Ų51.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-99.1123.4174172.768000110.6A201 W202 L205 A210 M215 P271 L300A201-L298 HydrophobicContact CB-CD2 4.09Å; W202-L298 HydrophobicContact CD2-CB 4.21Å; W202-L298 HydrophobicContact CG-CB 4.25Å; W202-L298 HydrophobicContact CG-CD2 4.39Å; W202-L298 HydrophobicContact CZ2-CB 4.39Å; W202-L298 VanDerWaalsContact CZ2-N 3.3Å; W202-L298 WeakPolarHBondContact CZ2-O 3.29Å; W202-L298 PolarHBondContact NE1-O 3.02Å; L205-L298 HydrophobicContact CD2-CB 4.45Å; L205-L298 HydrophobicContact CD2-CD2 3.88Å; A210-L298 HydrophobicContact CB-CD2 3.93Å; M215-L298 HydrophobicContact CE-CB 4.44Å; M215-L298 HydrophobicContact SD-CB 4.06Å; M215-L298 HydrophobicContact SD-CD1 3.89Å; P271-L298 HydrophobicContact CB-CD1 4.17Å; P271-L298 HydrophobicContact CG-CD1 3.51Å; L298-L300 HydrophobicContact CD1-CD2 4.24Å; L298-L300 HydrophobicContact CD2-CD2 3.72Å; L298-L300 HydrophobicContact CD2-CG 4.46Å; L298-L300 HydrophobicContact CG-CD2 3.9Å; L298-L300 HydrophobicContact CG-CG 4.44Å
299I97.5Very high87.6Confident0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-103.3120.5169-53.6-56.4000108.7G213 V214 V216 L218 V226 L252 L255 V256G213-I299 CarbonylContact C-O 3.46Å; G213-I299 WeakPolarHBondContact CA-O 3.28Å; V214-I299 HydrophobicContact CG2-CB 4Å; V214-I299 PolarHBondContact N-O 2.89Å; V214-I299 PolarHBondContact O-N 2.82Å; V216-I299 HydrophobicContact CB-CG1 4.26Å; V216-I299 HydrophobicContact CG1-CB 4.44Å; V216-I299 HydrophobicContact CG1-CG1 3.7Å; V216-I299 HydrophobicContact CG2-CD1 3.96Å; V216-I299 HydrophobicContact CG2-CG1 3.51Å; L218-I299 HydrophobicContact CD1-CD1 4.42Å; V226-I299 HydrophobicContact CG1-CD1 3.55Å; L252-I299 HydrophobicContact CD1-CG2 3.56Å; L255-I299 HydrophobicContact CB-CD1 4.04Å; L255-I299 HydrophobicContact CB-CG1 4.13Å; L255-I299 HydrophobicContact CB-CG2 4.3Å; L255-I299 HydrophobicContact CD1-CD1 4.24Å; V256-I299 HydrophobicContact CG2-CG2 3.97Å
300L96.6Very high88.1Confident0 Ų053.4 Ų53.40%027%0.268CS..PPolyproline II helixtrans-86.6144175.1-59177.6000110.2F198 A201 A209 N230 L234 L298 F305F198-L300 HydrophobicContact CB-CD1 4.43Å; F198-L300 HydrophobicContact CD1-CD1 3.78Å; F198-L300 HydrophobicContact CE1-CD1 4.27Å; F198-L300 HydrophobicContact CG-CD1 4.25Å; A201-L300 HydrophobicContact CB-CD1 3.83Å; A201-L300 HydrophobicContact CB-CD2 3.89Å; A201-L300 HydrophobicContact CB-CG 4.45Å; A209-L300 WeakPolarHBondContact O-CD2 3.12Å; N230-L300 WeakPolarHBondContact ND2-CB 3.5Å; N230-L300 PolarHBondContact ND2-N 3.48Å; N230-L300 PolarHBondContact OD1-O 3.44Å; L234-L300 HydrophobicContact CD1-CB 4.42Å; L298-L300 HydrophobicContact CD1-CD2 4.24Å; L298-L300 HydrophobicContact CD2-CD2 3.72Å; L298-L300 HydrophobicContact CD2-CG 4.46Å; L298-L300 HydrophobicContact CG-CD2 3.9Å; L298-L300 HydrophobicContact CG-CG 4.44Å; L300-F305 HydrophobicContact CB-CE2 3.88Å; L300-F305 HydrophobicContact CB-CZ 4.2Å; L300-F305 HydrophobicContact CD1-CE1 4.36Å; L300-F305 HydrophobicContact CD1-CE2 4.03Å; L300-F305 HydrophobicContact CD1-CZ 3.48Å; L300-F305 VanDerWaalsContact CD1-CZ 3.48Å; L300-F305 HydrophobicContact CG-CZ 4.48Å
301L96.5Very high88.7Confident45 Ų4549.2 Ų49.224%0.23625%0.252CS..PPolyproline II helixtrans-102.7168.4178.9-58.1-175.2000109.8Q212 L252 V256 D303 S304Q212-L301 VanDerWaalsContact O-CD1 3.26Å; Q212-L301 WeakPolarHBondContact O-CD1 3.35Å; Q212-L301 WeakPolarHBondContact O-CG 3.45Å; L252-L301 HydrophobicContact CD1-CD2 4.31Å; L252-L301 HydrophobicContact CD2-CD2 4.17Å; L252-L301 HydrophobicContact CG-CD2 4.41Å; V256-L301 HydrophobicContact CG2-CD2 3.85Å; L301-D303 PolarHBondContact O-N 3.01Å; L301-S304 PolarHBondContact N-OG 3.41Å; L301-S304 WeakPolarHBondContact O-CB 3.32Å; L301-S304 PolarHBondContact O-N 3.21Å; L301-S304 PolarHBondContact O-OG 3.25Å; L301-S304 VanDerWaalsContact O-OG 3.04Å
302P95.1Very high88.7Confident39 Ų3949.7 Ų49.725%0.25326%0.256SS..G310 helixtrans-52-40.3174.9-29.537.4000113L234 I237 F238 L252 S304 F305L234-P302 HydrophobicContact CD2-CG 3.9Å; I237-P302 HydrophobicContact CG2-CG 4.11Å; F238-P302 HydrophobicContact CE1-CB 4.06Å; F238-P302 HydrophobicContact CZ-CB 4.05Å; L252-P302 HydrophobicContact CD2-CG 4.44Å; P302-S304 PolarHBondContact O-N 3.06Å; P302-S304 VanDerWaalsContact O-N 3.15Å; P302-F305 PolarHBondContact O-N 3.43Å; P302-F305 VanDerWaalsContact O-N 3.12Å
303D93.4Very high89.3Confident113 Ų11345.3 Ų45.360%0.60424%0.238SC*.G310 helixtrans-67.1-14.6-179.6-61.1-18.3000113.6Q212 L301 F305Q212-D303 HydrophobicContact CB-CB 4.42Å; L301-D303 PolarHBondContact O-N 3.01Å; D303-F305 PolarHBondContact O-N 3.08Å
304S92.8Very high89.7Confident1 Ų146.3 Ų46.31%0.00724%0.244CC..G310 helixtrans-65.5-17.3173-51.20000112.8A209 L301 P302A209-S304 WeakPolarHBondContact CB-O 3.49Å; A209-S304 VanDerWaalsContact O-CB 3.3Å; A209-S304 WeakPolarHBondContact O-CB 3.3Å; A209-S304 PolarHBondContact O-OG 3.34Å; L301-S304 PolarHBondContact N-OG 3.41Å; L301-S304 WeakPolarHBondContact O-CB 3.32Å; L301-S304 PolarHBondContact O-N 3.21Å; L301-S304 PolarHBondContact O-OG 3.25Å; L301-S304 VanDerWaalsContact O-OG 3.04Å; P302-S304 PolarHBondContact O-N 3.06Å; P302-S304 VanDerWaalsContact O-N 3.15Å
305F90.2Very high90.1Very high16 Ų1642.3 Ų42.37%0.0722%0.223CC..  trans-121.9112.8-175-57.5-81.7000110.9A197 F198 L234 L300 P302 D303 D307 V311A197-F305 HydrophobicContact CB-CD1 4.31Å; A197-F305 HydrophobicContact CB-CE1 3.61Å; F198-F305 HydrophobicContact CD1-CZ 4.25Å; F198-F305 HydrophobicContact CD2-CZ 4.31Å; F198-F305 HydrophobicContact CE1-CE2 4.24Å; F198-F305 AromaticContact CE1-CZ 3.84Å; F198-F305 HydrophobicContact CE1-CZ 3.84Å; F198-F305 HydrophobicContact CE2-CE1 4.32Å; F198-F305 AromaticContact CE2-CZ 3.9Å; F198-F305 HydrophobicContact CE2-CZ 3.9Å; F198-F305 HydrophobicContact CG-CZ 4.45Å; F198-F305 HydrophobicContact CZ-CE1 4.44Å; F198-F305 HydrophobicContact CZ-CE2 4.09Å; F198-F305 AromaticContact CZ-CZ 3.62Å; F198-F305 HydrophobicContact CZ-CZ 3.62Å; L234-F305 HydrophobicContact CD1-CD2 3.94Å; L234-F305 HydrophobicContact CD1-CE2 3.33Å; L234-F305 HydrophobicContact CD1-CZ 4.23Å; L300-F305 HydrophobicContact CB-CE2 3.88Å; L300-F305 HydrophobicContact CB-CZ 4.2Å; L300-F305 HydrophobicContact CD1-CE1 4.36Å; L300-F305 HydrophobicContact CD1-CE2 4.03Å; L300-F305 HydrophobicContact CD1-CZ 3.48Å; L300-F305 VanDerWaalsContact CD1-CZ 3.48Å; L300-F305 HydrophobicContact CG-CZ 4.48Å; P302-F305 PolarHBondContact O-N 3.43Å; P302-F305 VanDerWaalsContact O-N 3.12Å; D303-F305 PolarHBondContact O-N 3.08Å; F305-D307 PolarHBondContact O-N 3.47Å; F305-V311 HydrophobicContact CB-CG2 4.2Å; F305-V311 HydrophobicContact CD1-CG2 3.59Å; F305-V311 HydrophobicContact CD2-CG2 3.55Å; F305-V311 HydrophobicContact CE1-CG2 3.72Å; F305-V311 HydrophobicContact CE2-CG2 3.71Å; F305-V311 HydrophobicContact CG-CG2 3.47Å; F305-V311 VanDerWaalsContact CG-CG2 3.47Å; F305-V311 HydrophobicContact CZ-CG2 3.76Å
306P83.6Confident90.3Very high104 Ų10444 Ų4468%0.67523%0.228SC*.SBendtrans-69.8-20.917627.5-32.7000112.6Y310P306-Y310 HydrophobicContact CG-CE2 4.15Å
307D85.7Confident90.3Very high56 Ų5645.4 Ų45.430%0.29923%0.234SC..SBendtrans-135.9129.9177.8-168.9-26.3000110.5F305 K309 Y310F305-D307 PolarHBondContact O-N 3.47Å; D307-K309 HydrophobicContact CB-CG 4.19Å; D307-K309 PolarHBondContact O-N 2.99Å; D307-K309 WeakPolarHBondContact OD1-CG 3.36Å; D307-K309 PolarHBondContact OD1-N 3.23Å; D307-K309 WeakPolarHBondContact OD2-CD 3.45Å; D307-K309 WeakPolarHBondContact OD2-CE 3.4Å; D307-K309 IonicContact OD2-NZ 3.35Å; D307-K309 PolarHBondContact OD2-NZ 2.91Å; D307-Y310 HydrophobicContact CB-CD2 3.97Å; D307-Y310 HydrophobicContact CB-CE2 3.76Å; D307-Y310 WeakPolarHBondContact O-CD2 3.43Å; D307-Y310 PolarHBondContact O-N 2.84Å
308K86.2Confident90Very high92 Ų9248.1 Ų48.140%0.425%0.247SC..G310 helixtrans-61.2-22.7179.263.3175.2-175.41790113.1F238 Y310 V311 M312F238-K308 HydrophobicContact CB-CB 4.19Å; F238-K308 HydrophobicContact CD1-CB 4.35Å; F238-K308 HydrophobicContact CD2-CB 4.15Å; F238-K308 HydrophobicContact CG-CB 4Å; K308-Y310 PolarHBondContact O-N 3.34Å; K308-Y310 VanDerWaalsContact O-N 3.16Å; K308-V311 PolarHBondContact O-N 3.49Å; K308-M312 HydrophobicContact CD-CE 3.87Å; K308-M312 HydrophobicContact CG-CE 3.95Å; K308-M312 PolarHBondContact O-N 3.35Å; K308-M312 VanDerWaalsContact O-N 3.13Å
309K86.9Confident89.6Confident80 Ų8051.5 Ų51.535%0.34827%0.265SS..G310 helixtrans-61.3-21.4176.879.7-172.7175.9-138.60113.8D307 V311D307-K309 HydrophobicContact CB-CG 4.19Å; D307-K309 PolarHBondContact O-N 2.99Å; D307-K309 WeakPolarHBondContact OD1-CG 3.36Å; D307-K309 PolarHBondContact OD1-N 3.23Å; D307-K309 WeakPolarHBondContact OD2-CD 3.45Å; D307-K309 WeakPolarHBondContact OD2-CE 3.4Å; D307-K309 IonicContact OD2-NZ 3.35Å; D307-K309 PolarHBondContact OD2-NZ 2.91Å; K309-V311 PolarHBondContact O-N 3.03Å
310Y85.8Confident89Confident53 Ų5355.5 Ų55.521%0.20829%0.285CS..G310 helixtrans-77.5-13.2177.1-57.7-40.7000113.3T77 H92 F94 P306 D307 K308T77-Y310 HydrophobicContact CG2-CE1 4.18Å; H92-Y310 HydrophobicContact CB-CD1 4.26Å; F94-Y310 HydrophobicContact CE1-CE1 4.39Å; F94-Y310 HydrophobicContact CE2-CD1 4.24Å; F94-Y310 HydrophobicContact CE2-CG 4.5Å; F94-Y310 AromaticContact CZ-CD1 3.56Å; F94-Y310 HydrophobicContact CZ-CD1 3.56Å; F94-Y310 HydrophobicContact CZ-CD2 4.32Å; F94-Y310 AromaticContact CZ-CE1 3.82Å; F94-Y310 HydrophobicContact CZ-CE1 3.82Å; F94-Y310 AromaticContact CZ-CG 3.82Å; F94-Y310 HydrophobicContact CZ-CG 3.82Å; P306-Y310 HydrophobicContact CG-CE2 4.15Å; D307-Y310 HydrophobicContact CB-CD2 3.97Å; D307-Y310 HydrophobicContact CB-CE2 3.76Å; D307-Y310 WeakPolarHBondContact O-CD2 3.43Å; D307-Y310 PolarHBondContact O-N 2.84Å; K308-Y310 PolarHBondContact O-N 3.34Å; K308-Y310 VanDerWaalsContact O-N 3.16Å
311V86Confident88.4Confident3 Ų360.1 Ų60.12%0.01831%0.309CS..THydrogen-bonded Turntrans-105.5-32.1178.7173.60000112F198 L234 Q235 F238 F305 K308 K309F198-V311 HydrophobicContact CE2-CB 4.45Å; F198-V311 HydrophobicContact CE2-CG1 4.36Å; F198-V311 HydrophobicContact CE2-CG2 4.06Å; F198-V311 HydrophobicContact CZ-CB 4.46Å; F198-V311 HydrophobicContact CZ-CG1 4.07Å; F198-V311 HydrophobicContact CZ-CG2 3.94Å; L234-V311 HydrophobicContact CB-CG1 3.65Å; Q235-V311 HydrophobicContact CG-CG1 3.73Å; Q235-V311 WeakPolarHBondContact CG-O 3.32Å; Q235-V311 PolarHBondContact NE2-O 3.04Å; F238-V311 HydrophobicContact CD2-CB 3.95Å; F238-V311 HydrophobicContact CD2-CG1 3.88Å; F238-V311 HydrophobicContact CD2-CG2 4.3Å; F238-V311 HydrophobicContact CE2-CB 3.95Å; F238-V311 HydrophobicContact CE2-CG1 4.08Å; F238-V311 HydrophobicContact CE2-CG2 3.77Å; F305-V311 HydrophobicContact CB-CG2 4.2Å; F305-V311 HydrophobicContact CD1-CG2 3.59Å; F305-V311 HydrophobicContact CD2-CG2 3.55Å; F305-V311 HydrophobicContact CE1-CG2 3.72Å; F305-V311 HydrophobicContact CE2-CG2 3.71Å; F305-V311 HydrophobicContact CG-CG2 3.47Å; F305-V311 VanDerWaalsContact CG-CG2 3.47Å; F305-V311 HydrophobicContact CZ-CG2 3.76Å; K308-V311 PolarHBondContact O-N 3.49Å; K309-V311 PolarHBondContact O-N 3.03Å
312M78Confident87.6Confident119 Ų11961.5 Ų61.559%0.58632%0.315SS*.  trans-72.20178.6-66-151.1-8000111.9Q235 K308Q235-M312 PolarHBondContact NE2-O 3.27Å; K308-M312 HydrophobicContact CD-CE 3.87Å; K308-M312 HydrophobicContact CG-CE 3.95Å; K308-M312 PolarHBondContact O-N 3.35Å; K308-M312 VanDerWaalsContact O-N 3.13Å

Retrieved 312 of 312 residues in 150.8 ms (Link to these results)

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