G4VQW2_SCHMA Loading...

Large ribosomal subunit protein uL13

AlphaFold DB , UniProt , Accession G4VQW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M46.5Very low84.1Confident233 Ų233102.8 Ų102.8100%1.14851%0.505SS*.  01150-72.3-168.6-161.400108.3
2S59.7Low85.3Confident103 Ų10394.3 Ų94.372%0.7246%0.463SS*.  trans-62.1146.4179.5175.40000112.2Q4 Q32S2-Q4 PolarHBondContact O-N 3.49Å; S2-Q32 PolarHBondContact O-NE2 2.92Å
3F76.9Confident86.2Confident146 Ų14694.9 Ų94.964%0.6446%0.464SS*.  trans-64.4112.1174.3-72.9-62.2000110.7N30F3-N30 WeakPolarHBondContact CE1-O 3.43Å; F3-N30 WeakPolarHBondContact CZ-O 3.47Å
4Q81.5Confident87Confident127 Ų12789.1 Ų89.159%0.59344%0.442SS*.  trans-92.6124.9177.1-67.1-171.5-5.800108.8S2 K6 Q32S2-Q4 PolarHBondContact O-N 3.49Å; Q4-K6 PolarHBondContact O-N 3.32Å; Q4-Q32 VanDerWaalsContact N-OE1 3.11Å; Q4-Q32 PolarHBondContact O-OE1 3.29Å
5K86.1Confident87.8Confident209 Ų20983.3 Ų83.391%0.90941%0.413SS*.SBendtrans-60.7-31.1172.3-85-175.2175.9177.20111.9
6K91.7Very high88.5Confident169 Ų16979 Ų7974%0.73539%0.391SS*.SBendtrans-80138.8-178.7-67.9-179.5-177.81730110.6Q4Q4-K6 PolarHBondContact O-N 3.32Å
7P93.9Very high89Confident48 Ų4875.6 Ų75.631%0.31238%0.375SS..PPolyproline II helixtrans-68.1137.5179.228.1-33.9000111.3I9 K33 V35P7-I9 PolarHBondContact O-N 3.27Å; P7-K33 CarbonylContact C-O 3.46Å; P7-K33 VanDerWaalsContact CA-O 3.31Å; P7-K33 WeakPolarHBondContact CA-O 3.42Å; P7-K33 HydrophobicContact CB-CB 4.04Å; P7-V35 HydrophobicContact CB-CG2 3.93Å
8I95.8Very high89.5Confident46 Ų4673.4 Ų73.424%0.23637%0.374CS..EExtended strand (participates in β ladder)trans-75.3119.1171.5-57.1172.7000107.6I10 T27 Q32 K33 V34 V35I8-I10 HydrophobicContact CG2-CD1 4.46Å; I8-I10 HydrophobicContact CG2-CG1 3.99Å; I8-T27 HydrophobicContact CD1-CG2 4.14Å; I8-Q32 HydrophobicContact CD1-CB 4.28Å; I8-Q32 HydrophobicContact CD1-CG 4.42Å; I8-K33 PolarHBondContact N-O 2.89Å; I8-V34 WeakPolarHBondContact O-CA 3.37Å; I8-V35 PolarHBondContact O-N 3.11Å
9I97.4Very high90Very high12 Ų1274.6 Ų74.66%0.06237%0.374CS..EExtended strand (participates in β ladder)trans-99.5119.6178.8-54.3160.3000107.9P7 V35 V37 Y113 K116 R118 M119P7-I9 PolarHBondContact O-N 3.27Å; I9-V35 CarbonylContact C-O 3.51Å; I9-V35 WeakPolarHBondContact CA-O 3.29Å; I9-V35 HydrophobicContact CG1-CB 4.36Å; I9-V37 HydrophobicContact CG2-CG1 4.32Å; I9-V37 HydrophobicContact CG2-CG2 4.35Å; I9-Y113 HydrophobicContact CD1-CD1 3.73Å; I9-Y113 HydrophobicContact CD1-CE1 4.36Å; I9-Y113 HydrophobicContact CG1-CD1 3.92Å; I9-Y113 HydrophobicContact CG1-CE1 4.31Å; I9-Y113 HydrophobicContact CG2-CD1 4.39Å; I9-K116 HydrophobicContact CD1-CB 3.5Å; I9-K116 VanDerWaalsContact CD1-CB 3.5Å; I9-K116 HydrophobicContact CD1-CD 3.45Å; I9-K116 VanDerWaalsContact CD1-CD 3.45Å; I9-K116 HydrophobicContact CD1-CG 4.08Å; I9-R118 HydrophobicContact CG2-CG 3.89Å; I9-M119 WeakPolarHBondContact O-CB 3.13Å; I9-M119 PolarHBondContact O-N 2.97Å
10I98Very high90.4Very high10 Ų1070.9 Ų70.95%0.05136%0.355CS..EExtended strand (participates in β ladder)trans-110.5128.8-177.2-56.4175.5000109.4I8 L20 V24 V34 V35 V36 V37 M119 V121I8-I10 HydrophobicContact CG2-CD1 4.46Å; I8-I10 HydrophobicContact CG2-CG1 3.99Å; I10-L20 HydrophobicContact CG2-CD1 4.04Å; I10-V24 HydrophobicContact CD1-CG2 3.91Å; I10-V34 HydrophobicContact CD1-CG1 3.62Å; I10-V34 HydrophobicContact CG1-CG1 4.22Å; I10-V35 PolarHBondContact N-O 3.45Å; I10-V36 HydrophobicContact CB-CG2 4.41Å; I10-V37 WeakPolarHBondContact O-CG2 3.26Å; I10-V37 PolarHBondContact O-N 3.25Å; I10-M119 WeakPolarHBondContact CA-O 3.37Å; I10-V121 HydrophobicContact CD1-CG2 4.08Å; I10-V121 HydrophobicContact CG2-CG2 4.03Å
11D98Very high90.8Very high28 Ų2867.5 Ų67.515%0.1534%0.338CS..EExtended strand (participates in β ladder)trans-80.5114.5167.4-167.9-18.2000109Q13 H15 R38 R118 M119D11-Q13 VanDerWaalsContact C-N 3.27Å; D11-Q13 PolarHBondContact O-N 3.23Å; D11-Q13 VanDerWaalsContact OD1-CB 3.3Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.34Å; D11-Q13 PolarHBondContact OD1-N 2.93Å; D11-H15 PolarHBondContact O-CE1 2.93Å; D11-H15 PolarHBondContact O-ND1 2.83Å; D11-R38 IonicContact OD1-CZ 3.26Å; D11-R38 IonicContact OD1-NE 2.77Å; D11-R38 IonicContact OD1-NH1 3.82Å; D11-R38 PolarHBondContact OD1-NH1 3.34Å; D11-R38 IonicContact OD2-CZ 2.89Å; D11-R38 IonicContact OD2-NH1 3.76Å; D11-R38 PolarHBondContact OD2-NH1 2.93Å; D11-R118 HydrophobicContact CB-CB 3.95Å; D11-R118 IonicContact OD2-NE 2.66Å; D11-M119 PolarHBondContact N-O 2.9Å
12A98Very high93.3Very high0 Ų059.6 Ų59.60%031%0.306CS..  trans-81.2-6.4-177.500000113.3G14 H15 L20 V36 V37 I42A12-G14 PolarHBondContact O-N 3.46Å; A12-H15 WeakPolarHBondContact O-CB 3.5Å; A12-H15 PolarHBondContact O-N 3.29Å; A12-H15 VanDerWaalsContact O-N 3.14Å; A12-H15 PolarHBondContact O-ND1 3.23Å; A12-L20 HydrophobicContact CB-CD2 3.94Å; A12-V36 HydrophobicContact CB-CG1 3.61Å; A12-V37 WeakPolarHBondContact CB-O 3.43Å; A12-V37 PolarHBondContact N-O 2.66Å; A12-I42 HydrophobicContact CB-CD1 3.76Å; A12-I42 HydrophobicContact CB-CG1 3.43Å; A12-I42 VanDerWaalsContact CB-CG1 3.43Å
13Q97.6Very high95.1Very high103 Ų10357.1 Ų57.148%0.48129%0.286SS..THydrogen-bonded Turntrans-54.1130.7177.7179.7-177.425.100110.9D11 H15 R38D11-Q13 VanDerWaalsContact C-N 3.27Å; D11-Q13 PolarHBondContact O-N 3.23Å; D11-Q13 VanDerWaalsContact OD1-CB 3.3Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.34Å; D11-Q13 PolarHBondContact OD1-N 2.93Å; Q13-H15 PolarHBondContact O-N 3.41Å; Q13-H15 PolarHBondContact O-ND1 3.32Å; Q13-R38 VanDerWaalsContact CB-CZ 3.48Å; Q13-R38 VanDerWaalsContact CD-CZ 3.49Å
14G97.1Very high96.1Very high14 Ų1450.2 Ų50.214%0.14426%0.256CS..THydrogen-bonded Turntrans77.4-217300000114.2A12 S41 N43 R126A12-G14 PolarHBondContact O-N 3.46Å; G14-S41 PolarHBondContact N-O 3.05Å; G14-S41 VanDerWaalsContact N-O 3.13Å; G14-N43 WeakPolarHBondContact CA-ND2 3.44Å; G14-R126 WeakPolarHBondContact O-CA 3.35Å; G14-R126 WeakPolarHBondContact O-CB 2.97Å; G14-R126 PolarHBondContact O-N 3.32Å
15H98.5Very high96.9Very high2 Ų244.4 Ų44.41%0.00923%0.23CC..BIsolated β-bridgetrans-84.9153.8178.9-67.875.7000112.1D11 A12 Q13 L20 N43 V121 A124D11-H15 PolarHBondContact O-CE1 2.93Å; D11-H15 PolarHBondContact O-ND1 2.83Å; A12-H15 WeakPolarHBondContact O-CB 3.5Å; A12-H15 PolarHBondContact O-N 3.29Å; A12-H15 VanDerWaalsContact O-N 3.14Å; A12-H15 PolarHBondContact O-ND1 3.23Å; Q13-H15 PolarHBondContact O-N 3.41Å; Q13-H15 PolarHBondContact O-ND1 3.32Å; H15-L20 HydrophobicContact CB-CB 4.14Å; H15-L20 HydrophobicContact CB-CD2 3.9Å; H15-L20 HydrophobicContact CB-CG 4.48Å; H15-N43 WeakPolarHBondContact O-CA 3.35Å; H15-N43 PolarHBondContact O-N 3.45Å; H15-V121 PolarHBondContact CD2-O 3.48Å; H15-V121 PolarHBondContact NE2-N 3.21Å; H15-V121 PolarHBondContact NE2-O 3.12Å; H15-A124 CarbonylContact C-O 3.52Å; H15-A124 WeakPolarHBondContact CA-O 3.47Å
16L98.5Very high97.4Very high14 Ų1440.8 Ų40.87%0.07321%0.214CC..BIsolated β-bridgetrans-84.3124.6171.7-69.1174.5000110.5G18 R19 L20 N43 A124 R126 R129L16-G18 PolarHBondContact O-N 3.4Å; L16-R19 HydrophobicContact CB-CB 4.19Å; L16-R19 HydrophobicContact CB-CG 4.06Å; L16-R19 HydrophobicContact CD1-CG 4.39Å; L16-R19 PolarHBondContact O-N 3.03Å; L16-R19 VanDerWaalsContact O-N 3.1Å; L16-L20 PolarHBondContact O-N 3.07Å; L16-N43 CarbonylContact C-O 3.58Å; L16-N43 VanDerWaalsContact CA-O 3.31Å; L16-N43 WeakPolarHBondContact CA-O 3.42Å; L16-N43 HydrophobicContact CD2-CB 4.41Å; L16-A124 PolarHBondContact N-O 2.96Å; L16-R126 HydrophobicContact CD2-CB 4.23Å; L16-R126 HydrophobicContact CD2-CG 4.2Å; L16-R126 HydrophobicContact CG-CB 4.22Å; L16-R129 HydrophobicContact CD1-CB 3.93Å
17L98.4Very high97.6Very high22 Ų2234.4 Ų34.412%0.11519%0.189CC..Hα-helixtrans-43.5-60.4-173-177.975.1000113.6A21 I42 N43 I44 F81 L139L17-A21 VanDerWaalsContact O-CB 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.3Å; L17-I42 HydrophobicContact CB-CG2 3.73Å; L17-I42 HydrophobicContact CD1-CD1 4.41Å; L17-I42 HydrophobicContact CD1-CG2 3.78Å; L17-I42 HydrophobicContact CG-CG2 4.4Å; L17-N43 PolarHBondContact N-O 2.92Å; L17-I44 HydrophobicContact CB-CG1 3.96Å; L17-I44 HydrophobicContact CD2-CD1 3.89Å; L17-I44 HydrophobicContact CD2-CG1 4.05Å; L17-F81 HydrophobicContact CD1-CB 4.12Å; L17-F81 HydrophobicContact CD1-CD2 3.75Å; L17-F81 HydrophobicContact CD1-CG 4.43Å; L17-L139 HydrophobicContact CD1-CD2 4.09Å
18G98Very high97.7Very high35 Ų3532.1 Ų32.136%0.36118%0.175SC..Hα-helixtrans-69.9-34.3-176.300000113.7L16 A21 S22L16-G18 PolarHBondContact O-N 3.4Å; G18-A21 PolarHBondContact O-N 3.21Å; G18-S22 WeakPolarHBondContact O-CB 3.36Å; G18-S22 PolarHBondContact O-N 2.92Å
19R98.1Very high97.7Very high96 Ų9632 Ų3236%0.36217%0.174SC..Hα-helixtrans-70.1-43.2179.8-59.3-170.780.9121.315.3111L16 S22 V23 S123 A124 R129L16-R19 HydrophobicContact CB-CB 4.19Å; L16-R19 HydrophobicContact CB-CG 4.06Å; L16-R19 HydrophobicContact CD1-CG 4.39Å; L16-R19 PolarHBondContact O-N 3.03Å; L16-R19 VanDerWaalsContact O-N 3.1Å; R19-S22 PolarHBondContact O-N 2.96Å; R19-V23 WeakPolarHBondContact O-CG2 3.26Å; R19-V23 PolarHBondContact O-N 3.43Å; R19-S123 PolarHBondContact NE-O 3.25Å; R19-A124 HydrophobicContact CB-CB 3.76Å; R19-R129 VanDerWaalsContact CZ-CZ 3.45Å; R19-R129 VanDerWaalsContact NH2-NE 3.14Å
20L98.5Very high97.6Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-64.1-45.1174.6179.561.8000110.4I10 A12 H15 L16 S22 V23 V24 V36 F81 V121 A124I10-L20 HydrophobicContact CG2-CD1 4.04Å; A12-L20 HydrophobicContact CB-CD2 3.94Å; H15-L20 HydrophobicContact CB-CB 4.14Å; H15-L20 HydrophobicContact CB-CD2 3.9Å; H15-L20 HydrophobicContact CB-CG 4.48Å; L16-L20 PolarHBondContact O-N 3.07Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.43Å; L20-V23 PolarHBondContact O-N 3.26Å; L20-V24 HydrophobicContact CD1-CG2 4Å; L20-V24 HydrophobicContact CG-CG2 4.25Å; L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.04Å; L20-V24 PolarHBondContact O-N 3.28Å; L20-V36 HydrophobicContact CD2-CG1 4.24Å; L20-F81 HydrophobicContact CB-CE2 4.18Å; L20-F81 HydrophobicContact CD2-CE2 3.92Å; L20-F81 HydrophobicContact CD2-CZ 3.98Å; L20-F81 HydrophobicContact CG-CE2 3.88Å; L20-F81 HydrophobicContact CG-CZ 3.88Å; L20-V121 HydrophobicContact CD1-CB 4.21Å; L20-V121 HydrophobicContact CD1-CG2 3.93Å; L20-A124 HydrophobicContact CB-CB 4.07Å
21A98.5Very high97.4Very high0 Ų036 Ų360%020%0.201CC..Hα-helixtrans-59.5-39.9179.800000112.5L17 G18 V24 A25 F81 T84 V85 M88L17-A21 VanDerWaalsContact O-CB 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.3Å; G18-A21 PolarHBondContact O-N 3.21Å; A21-V24 PolarHBondContact O-N 3.38Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.35Å; A21-F81 HydrophobicContact CB-CD2 4.44Å; A21-F81 HydrophobicContact CB-CE2 3.84Å; A21-F81 HydrophobicContact CB-CZ 4.47Å; A21-T84 HydrophobicContact CB-CG2 3.7Å; A21-V85 HydrophobicContact CB-CG2 3.74Å; A21-M88 VanDerWaalsContact C-SD 3.52Å; A21-M88 HydrophobicContact CB-CE 4.07Å; A21-M88 HydrophobicContact CB-SD 3.68Å
22S98.2Very high97.2Very high67 Ų6735.3 Ų35.347%0.46920%0.197SC..Hα-helixtrans-63.9-47.8178.5175.20000112.2G18 R19 L20 V24 A25 K26 M88G18-S22 WeakPolarHBondContact O-CB 3.36Å; G18-S22 PolarHBondContact O-N 2.92Å; R19-S22 PolarHBondContact O-N 2.96Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.43Å; S22-V24 VanDerWaalsContact C-N 3.33Å; S22-V24 PolarHBondContact O-N 3.31Å; S22-A25 PolarHBondContact O-N 3.3Å; S22-K26 PolarHBondContact O-N 2.91Å; S22-K26 VanDerWaalsContact O-N 3.11Å; S22-M88 VanDerWaalsContact CA-SD 3.56Å; S22-M88 PolarHBondContact N-SD 3.25Å; S22-M88 VanDerWaalsContact N-SD 3.37Å
23V97.7Very high97.1Very high51 Ų5141.1 Ų41.131%0.30922%0.222SC..Hα-helixtrans-63-42.6177.2176.70000110.8R19 L20 T27 V121R19-V23 WeakPolarHBondContact O-CG2 3.26Å; R19-V23 PolarHBondContact O-N 3.43Å; L20-V23 PolarHBondContact O-N 3.26Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 3.39Å; V23-T27 PolarHBondContact O-OG1 3.33Å; V23-V121 HydrophobicContact CB-CG1 4.29Å; V23-V121 HydrophobicContact CG1-CG1 3.94Å; V23-V121 HydrophobicContact CG2-CG1 4.2Å
24V97.9Very high97.1Very high1 Ų136.2 Ų36.21%0.00620%0.199CC..Hα-helixtrans-63.7-46.3177.3170.80000110.8I10 L20 A21 S22 K26 T27 L28 V34 V36 F81 V85 L103I10-V24 HydrophobicContact CD1-CG2 3.91Å; L20-V24 HydrophobicContact CD1-CG2 4Å; L20-V24 HydrophobicContact CG-CG2 4.25Å; L20-V24 WeakPolarHBondContact O-CB 3.36Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.04Å; L20-V24 PolarHBondContact O-N 3.28Å; A21-V24 PolarHBondContact O-N 3.38Å; S22-V24 VanDerWaalsContact C-N 3.33Å; S22-V24 PolarHBondContact O-N 3.31Å; V24-K26 VanDerWaalsContact C-N 3.35Å; V24-K26 PolarHBondContact O-N 2.94Å; V24-T27 WeakPolarHBondContact O-CB 3.34Å; V24-T27 PolarHBondContact O-N 3.26Å; V24-T27 VanDerWaalsContact O-N 3.11Å; V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.14Å; V24-L28 PolarHBondContact O-N 3.44Å; V24-V34 HydrophobicContact CG1-CB 4.44Å; V24-V34 HydrophobicContact CG1-CG1 4.12Å; V24-V34 HydrophobicContact CG2-CG1 4.31Å; V24-V36 HydrophobicContact CG2-CG2 4.24Å; V24-F81 HydrophobicContact CG2-CZ 4.25Å; V24-V85 HydrophobicContact CG1-CG1 4.38Å; V24-V85 HydrophobicContact CG1-CG2 4.33Å; V24-L103 HydrophobicContact CG1-CD1 3.8Å
25A98Very high97.2Very high5 Ų535.7 Ų35.74%0.04119%0.193CC..Hα-helixtrans-56.7-46.4178.800000112.1A21 S22 T27 L28 L29 V85 M88 L89A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.35Å; S22-A25 PolarHBondContact O-N 3.3Å; A25-T27 VanDerWaalsContact C-N 3.35Å; A25-T27 PolarHBondContact O-N 3.17Å; A25-L28 PolarHBondContact O-N 3.41Å; A25-L29 PolarHBondContact O-N 3.29Å; A25-V85 HydrophobicContact CB-CG1 4.27Å; A25-M88 HydrophobicContact CB-CB 3.84Å; A25-L89 HydrophobicContact CB-CD2 4.01Å; A25-L89 HydrophobicContact CB-CG 4.28Å
26K97Very high97.1Very high134 Ų13435.6 Ų35.658%0.58319%0.193SC*.Hα-helixtrans-64.4-40.7176.6-173.463179.6-176.10111.9S22 V24 L28 L29 N30S22-K26 PolarHBondContact O-N 2.91Å; S22-K26 VanDerWaalsContact O-N 3.11Å; V24-K26 VanDerWaalsContact C-N 3.35Å; V24-K26 PolarHBondContact O-N 2.94Å; K26-L28 VanDerWaalsContact C-N 3.32Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-L29 PolarHBondContact O-N 2.89Å; K26-N30 PolarHBondContact O-N 3.42Å; K26-N30 PolarHBondContact O-OD1 2.98Å
27T96.1Very high97.1Very high34 Ų3435 Ų3521%0.20919%0.189CC..Hα-helixtrans-62-39.2177.6-560000111.9I8 V23 V24 A25 N30 G31 Q32 V34I8-T27 HydrophobicContact CD1-CG2 4.14Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 3.39Å; V23-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 WeakPolarHBondContact O-CB 3.34Å; V24-T27 PolarHBondContact O-N 3.26Å; V24-T27 VanDerWaalsContact O-N 3.11Å; A25-T27 VanDerWaalsContact C-N 3.35Å; A25-T27 PolarHBondContact O-N 3.17Å; T27-N30 PolarHBondContact O-N 3.15Å; T27-G31 PolarHBondContact O-N 2.88Å; T27-Q32 HydrophobicContact CG2-CB 3.7Å; T27-Q32 HydrophobicContact CG2-CG 4.04Å; T27-Q32 PolarHBondContact O-N 2.85Å; T27-V34 HydrophobicContact CG2-CG2 3.67Å
28L96.7Very high97.1Very high1 Ų134.6 Ų34.61%0.00519%0.186CC..Hα-helixtrans-67.4-43.1175.5-66.2168000112.2V24 A25 K26 N30 G31 V34 V85 L89 A99 K102 L103V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.14Å; V24-L28 PolarHBondContact O-N 3.44Å; A25-L28 PolarHBondContact O-N 3.41Å; K26-L28 VanDerWaalsContact C-N 3.32Å; K26-L28 PolarHBondContact O-N 3.21Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.02Å; L28-G31 WeakPolarHBondContact O-CA 3.36Å; L28-G31 PolarHBondContact O-N 3.37Å; L28-V34 HydrophobicContact CD2-CB 4.02Å; L28-V34 HydrophobicContact CD2-CG2 4Å; L28-V34 HydrophobicContact CG-CG2 4.46Å; L28-V85 HydrophobicContact CD1-CG1 3.76Å; L28-L89 HydrophobicContact CD1-CD1 4.11Å; L28-A99 HydrophobicContact CB-CB 4.21Å; L28-K102 HydrophobicContact CD2-CB 3.9Å; L28-L103 HydrophobicContact CD1-CB 3.78Å; L28-L103 HydrophobicContact CD1-CD1 4.27Å; L28-L103 HydrophobicContact CD1-CD2 4.17Å; L28-L103 HydrophobicContact CD1-CG 4.28Å; L28-L103 HydrophobicContact CD2-CB 3.94Å
29L96Very high97.1Very high43 Ų4333 Ų3323%0.22517%0.169CC..Hα-helixtrans-66.3-30.3176.7-76.2175.3000113.3A25 K26 G31 L89 P90 A99A25-L29 PolarHBondContact O-N 3.29Å; K26-L29 PolarHBondContact O-N 2.89Å; L29-G31 PolarHBondContact O-N 3.26Å; L29-L89 HydrophobicContact CD1-CD2 3.94Å; L29-L89 HydrophobicContact CD2-CD2 3.91Å; L29-L89 HydrophobicContact CG-CD2 3.55Å; L29-P90 HydrophobicContact CD2-CG 4.46Å; L29-A99 HydrophobicContact CD2-CB 4.08Å
30N94.4Very high97.1Very high85 Ų8529.1 Ų29.146%0.45516%0.155SC..Hα-helixtrans-66.5-30171.1-68.7-8000110.1F3 K26 T27 L28F3-N30 WeakPolarHBondContact CE1-O 3.43Å; F3-N30 WeakPolarHBondContact CZ-O 3.47Å; K26-N30 PolarHBondContact O-N 3.42Å; K26-N30 PolarHBondContact O-OD1 2.98Å; T27-N30 PolarHBondContact O-N 3.15Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.02Å
31G93.4Very high97.1Very high21 Ų2130.4 Ų30.422%0.21616%0.164CC..THydrogen-bonded Turntrans122.20.6171.100000114.7T27 L28 L29 K102T27-G31 PolarHBondContact O-N 2.88Å; L28-G31 WeakPolarHBondContact O-CA 3.36Å; L28-G31 PolarHBondContact O-N 3.37Å; L29-G31 PolarHBondContact O-N 3.26Å; G31-K102 PolarHBondContact O-NZ 2.72Å
32Q94.9Very high97.1Very high14 Ų1430.4 Ų30.47%0.06516%0.164CC..  trans-72.5145.9179.4-60.4-75.4-3.100111.1S2 Q4 I8 T27S2-Q32 PolarHBondContact O-NE2 2.92Å; Q4-Q32 VanDerWaalsContact N-OE1 3.11Å; Q4-Q32 PolarHBondContact O-OE1 3.29Å; I8-Q32 HydrophobicContact CD1-CB 4.28Å; I8-Q32 HydrophobicContact CD1-CG 4.42Å; T27-Q32 HydrophobicContact CG2-CB 3.7Å; T27-Q32 HydrophobicContact CG2-CG 4.04Å; T27-Q32 PolarHBondContact O-N 2.85Å
33K96.3Very high97.1Very high121 Ų12127.4 Ų27.453%0.52614%0.143SC..  trans-84.2128.7170.8-66.1178.3-178.61780109.2P7 I8 K102P7-K33 CarbonylContact C-O 3.46Å; P7-K33 VanDerWaalsContact CA-O 3.31Å; P7-K33 WeakPolarHBondContact CA-O 3.42Å; P7-K33 HydrophobicContact CB-CB 4.04Å; I8-K33 PolarHBondContact N-O 2.89Å; K33-K102 HydrophobicContact CG-CB 4.32Å; K33-K102 HydrophobicContact CG-CG 4.26Å
34V97.3Very high97.1Very high1 Ų126.5 Ų26.51%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-124.7131.8-177.4-176.20000110I8 I10 V24 T27 L28 V36 K102 L103 K104I8-V34 WeakPolarHBondContact O-CA 3.37Å; I10-V34 HydrophobicContact CD1-CG1 3.62Å; I10-V34 HydrophobicContact CG1-CG1 4.22Å; V24-V34 HydrophobicContact CG1-CB 4.44Å; V24-V34 HydrophobicContact CG1-CG1 4.12Å; V24-V34 HydrophobicContact CG2-CG1 4.31Å; T27-V34 HydrophobicContact CG2-CG2 3.67Å; L28-V34 HydrophobicContact CD2-CB 4.02Å; L28-V34 HydrophobicContact CD2-CG2 4Å; L28-V34 HydrophobicContact CG-CG2 4.46Å; V34-V36 HydrophobicContact CG1-CG2 3.94Å; V34-K102 PolarHBondContact N-O 2.94Å; V34-K102 VanDerWaalsContact N-O 3.12Å; V34-L103 HydrophobicContact CB-CD1 4.45Å; V34-L103 WeakPolarHBondContact O-CA 3.25Å; V34-K104 PolarHBondContact O-N 2.84Å
35V98.1Very high97.1Very high3 Ų328.9 Ų28.92%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-116.7118.8173.3-1780000107.8P7 I8 I9 I10 V37 K104 F106 Y113P7-V35 HydrophobicContact CB-CG2 3.93Å; I8-V35 PolarHBondContact O-N 3.11Å; I9-V35 CarbonylContact C-O 3.51Å; I9-V35 WeakPolarHBondContact CA-O 3.29Å; I9-V35 HydrophobicContact CG1-CB 4.36Å; I10-V35 PolarHBondContact N-O 3.45Å; V35-V37 HydrophobicContact CG1-CG1 4.05Å; V35-K104 CarbonylContact C-O 3.57Å; V35-K104 VanDerWaalsContact CA-O 3.3Å; V35-K104 WeakPolarHBondContact CA-O 3.41Å; V35-K104 HydrophobicContact CB-CB 4.47Å; V35-K104 HydrophobicContact CG1-CB 4.24Å; V35-K104 HydrophobicContact CG2-CB 4.1Å; V35-K104 HydrophobicContact CG2-CD 4.48Å; V35-F106 HydrophobicContact CG1-CD2 3.92Å; V35-F106 HydrophobicContact CG1-CE2 3.83Å; V35-Y113 HydrophobicContact CB-CE1 4.07Å; V35-Y113 HydrophobicContact CG1-CD1 4.03Å; V35-Y113 HydrophobicContact CG1-CD2 4.25Å; V35-Y113 HydrophobicContact CG1-CE1 3.73Å; V35-Y113 HydrophobicContact CG1-CE2 3.94Å; V35-Y113 HydrophobicContact CG1-CG 4.28Å; V35-Y113 HydrophobicContact CG2-CE1 3.69Å
36V98.5Very high97Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-105.9120.2176.6-176.30000108.7I10 A12 L20 V24 V34 F81 L103 K104 V105 F106I10-V36 HydrophobicContact CB-CG2 4.41Å; A12-V36 HydrophobicContact CB-CG1 3.61Å; L20-V36 HydrophobicContact CD2-CG1 4.24Å; V24-V36 HydrophobicContact CG2-CG2 4.24Å; V34-V36 HydrophobicContact CG1-CG2 3.94Å; V36-F81 HydrophobicContact CB-CD1 4.43Å; V36-F81 HydrophobicContact CB-CE1 3.88Å; V36-F81 HydrophobicContact CG1-CD1 4.24Å; V36-F81 HydrophobicContact CG1-CE1 3.82Å; V36-F81 HydrophobicContact CG1-CZ 4.29Å; V36-F81 HydrophobicContact CG2-CE1 3.68Å; V36-F81 HydrophobicContact CG2-CZ 4.18Å; V36-L103 HydrophobicContact CG2-CD1 4.25Å; V36-K104 PolarHBondContact N-O 3.47Å; V36-V105 HydrophobicContact CB-CG1 4.3Å; V36-V105 CarbonylContact O-C 3.55Å; V36-V105 WeakPolarHBondContact O-CA 3.45Å; V36-F106 PolarHBondContact O-N 3.49Å
37V98.4Very high97.1Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-110.9161.1179.8-60.40000110.6I9 I10 A12 V35 F106 I109 Y113 R118I9-V37 HydrophobicContact CG2-CG1 4.32Å; I9-V37 HydrophobicContact CG2-CG2 4.35Å; I10-V37 WeakPolarHBondContact O-CG2 3.26Å; I10-V37 PolarHBondContact O-N 3.25Å; A12-V37 WeakPolarHBondContact CB-O 3.43Å; A12-V37 PolarHBondContact N-O 2.66Å; V35-V37 HydrophobicContact CG1-CG1 4.05Å; V37-F106 HydrophobicContact CG1-CD2 4.36Å; V37-I109 HydrophobicContact CB-CG1 4.17Å; V37-I109 HydrophobicContact CB-CG2 4.32Å; V37-I109 HydrophobicContact CG1-CG2 4.29Å; V37-I109 HydrophobicContact CG2-CD1 4.32Å; V37-I109 HydrophobicContact CG2-CG1 4.07Å; V37-I109 HydrophobicContact CG2-CG2 4.31Å; V37-Y113 HydrophobicContact CG1-CG 4.44Å; V37-R118 HydrophobicContact CG2-CG 4.32Å
38R97.7Very high97.1Very high15 Ų1525.2 Ų25.26%0.05714%0.144CC..  trans59.942.6-177.9-66.6174.360.3-161.611.6114.1D11 Q13 E40 S41 F106 G108 I109 E158D11-R38 IonicContact OD1-CZ 3.26Å; D11-R38 IonicContact OD1-NE 2.77Å; D11-R38 IonicContact OD1-NH1 3.82Å; D11-R38 PolarHBondContact OD1-NH1 3.34Å; D11-R38 IonicContact OD2-CZ 2.89Å; D11-R38 IonicContact OD2-NH1 3.76Å; D11-R38 PolarHBondContact OD2-NH1 2.93Å; Q13-R38 VanDerWaalsContact CB-CZ 3.48Å; Q13-R38 VanDerWaalsContact CD-CZ 3.49Å; R38-E40 WeakPolarHBondContact CA-OE1 3.08Å; R38-E40 WeakPolarHBondContact CA-OE2 3.49Å; R38-E40 WeakPolarHBondContact CB-OE1 3.39Å; R38-E40 PolarHBondContact O-N 3.35Å; R38-E40 VanDerWaalsContact O-N 3.17Å; R38-S41 WeakPolarHBondContact O-CB 3.42Å; R38-S41 PolarHBondContact O-N 3.05Å; R38-F106 PolarHBondContact N-O 3.02Å; R38-G108 PolarHBondContact N-O 2.98Å; R38-I109 HydrophobicContact CG-CD1 3.95Å; R38-I109 HydrophobicContact CG-CG1 3.43Å; R38-I109 VanDerWaalsContact CG-CG1 3.43Å; R38-E158 IonicContact NE-OE2 3.99Å
39C98.4Very high97.2Very high0 Ų033 Ų330%018%0.175CC..G310 helixtrans-60.2-26179.6-63.90000112.7S41 I42 P77 A78 F106C39-S41 PolarHBondContact O-N 3.41Å; C39-I42 HydrophobicContact CB-CD1 4.09Å; C39-I42 WeakPolarHBondContact O-CB 3.39Å; C39-I42 WeakPolarHBondContact O-CG1 3.42Å; C39-I42 PolarHBondContact O-N 3.48Å; C39-P77 HydrophobicContact CB-CB 4.26Å; C39-A78 HydrophobicContact CB-CB 3.93Å; C39-F106 PolarHBondContact N-O 3.37Å; C39-F106 VanDerWaalsContact N-O 3.11Å; C39-F106 PolarHBondContact SG-O 3.02Å
40E98Very high97.3Very high16 Ų1636 Ų368%0.07518%0.183CC..G310 helixtrans-63.1-26174.279.1-62.7145.300113R38 P77 E107 G108 V138 S140 W148 I154R38-E40 WeakPolarHBondContact CA-OE1 3.08Å; R38-E40 WeakPolarHBondContact CA-OE2 3.49Å; R38-E40 WeakPolarHBondContact CB-OE1 3.39Å; R38-E40 PolarHBondContact O-N 3.35Å; R38-E40 VanDerWaalsContact O-N 3.17Å; E40-P77 HydrophobicContact CB-CB 4.24Å; E40-P77 HydrophobicContact CB-CG 3.96Å; E40-E107 WeakPolarHBondContact OE2-CA 3.38Å; E40-G108 PolarHBondContact OE2-N 3.36Å; E40-V138 WeakPolarHBondContact O-CG1 3.46Å; E40-S140 WeakPolarHBondContact O-CB 3.45Å; E40-S140 PolarHBondContact O-N 2.91Å; E40-W148 HydrophobicContact CB-CH2 4.1Å; E40-W148 HydrophobicContact CB-CZ3 4.34Å; E40-I154 HydrophobicContact CG-CG2 4.32Å
41S97.7Very high97.4Very high26 Ų2632.3 Ų32.318%0.18216%0.164CC..G310 helixtrans-91.87.5-179.4-60.30000113.6G14 R38 C39G14-S41 PolarHBondContact N-O 3.05Å; G14-S41 VanDerWaalsContact N-O 3.13Å; R38-S41 WeakPolarHBondContact O-CB 3.42Å; R38-S41 PolarHBondContact O-N 3.05Å; C39-S41 PolarHBondContact O-N 3.41Å
42I98.3Very high97.6Very high0 Ų034.1 Ų34.10%017%0.166CC..  trans-70.1144.9173.6-68.8172.5000110A12 L17 C39 F81 L139A12-I42 HydrophobicContact CB-CD1 3.76Å; A12-I42 HydrophobicContact CB-CG1 3.43Å; A12-I42 VanDerWaalsContact CB-CG1 3.43Å; L17-I42 HydrophobicContact CB-CG2 3.73Å; L17-I42 HydrophobicContact CD1-CD1 4.41Å; L17-I42 HydrophobicContact CD1-CG2 3.78Å; L17-I42 HydrophobicContact CG-CG2 4.4Å; C39-I42 HydrophobicContact CB-CD1 4.09Å; C39-I42 WeakPolarHBondContact O-CB 3.39Å; C39-I42 WeakPolarHBondContact O-CG1 3.42Å; C39-I42 PolarHBondContact O-N 3.48Å; I42-F81 HydrophobicContact CD1-CB 4.02Å; I42-F81 HydrophobicContact CD1-CD2 3.75Å; I42-F81 HydrophobicContact CD1-CE2 4.37Å; I42-F81 HydrophobicContact CD1-CG 3.85Å; I42-L139 HydrophobicContact CB-CB 4.19Å; I42-L139 HydrophobicContact CB-CD2 4.12Å; I42-L139 HydrophobicContact CD1-CD2 4.46Å; I42-L139 HydrophobicContact CG2-CD2 4.42Å; I42-L139 WeakPolarHBondContact O-CB 3.28Å; I42-L139 PolarHBondContact O-N 3.22Å
43N98.2Very high97.8Very high4 Ų437.4 Ų37.42%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-107.8152.5176.5-60.1-41.1000112.4G14 H15 L16 L17 R126 F136 S137G14-N43 WeakPolarHBondContact CA-ND2 3.44Å; H15-N43 WeakPolarHBondContact O-CA 3.35Å; H15-N43 PolarHBondContact O-N 3.45Å; L16-N43 CarbonylContact C-O 3.58Å; L16-N43 VanDerWaalsContact CA-O 3.31Å; L16-N43 WeakPolarHBondContact CA-O 3.42Å; L16-N43 HydrophobicContact CD2-CB 4.41Å; L17-N43 PolarHBondContact N-O 2.92Å; N43-R126 WeakPolarHBondContact ND2-CD 3.5Å; N43-R126 PolarHBondContact ND2-NH1 3.33Å; N43-F136 HydrophobicContact CB-CD2 4.27Å; N43-S137 CarbonylContact C-O 3.54Å; N43-S137 VanDerWaalsContact CA-O 3.31Å; N43-S137 WeakPolarHBondContact CA-O 3.41Å
44I98.1Very high97.9Very high32 Ų3237.2 Ų37.216%0.16418%0.182CC..EExtended strand (participates in β ladder)trans-122.7137.1168.4-50.3174.7000107.1L17 F136 S137 L139 L142L17-I44 HydrophobicContact CB-CG1 3.96Å; L17-I44 HydrophobicContact CD2-CD1 3.89Å; L17-I44 HydrophobicContact CD2-CG1 4.05Å; I44-F136 CarbonylContact O-C 3.59Å; I44-F136 WeakPolarHBondContact O-CA 3.31Å; I44-F136 WeakPolarHBondContact O-CB 3.46Å; I44-S137 PolarHBondContact N-O 2.94Å; I44-S137 PolarHBondContact O-N 3.48Å; I44-L139 HydrophobicContact CD1-CD1 4.13Å; I44-L142 HydrophobicContact CD1-CD2 3.94Å
45S97.3Very high97.9Very high52 Ų5238.3 Ų38.336%0.36419%0.186SC..EExtended strand (participates in β ladder)trans-67.9150.5176.356.60000111.8R50 N51S45-R50 PolarHBondContact O-NH2 3.49Å; S45-N51 PolarHBondContact O-ND2 3.45Å
46G97.2Very high97.9Very high20 Ų2041.1 Ų41.121%0.20620%0.201CC..SBendtrans92165.8-176.500000113.3N51 K135 F136 S137G46-N51 PolarHBondContact O-ND2 3.34Å; G46-K135 CarbonylContact C-O 3.32Å; G46-K135 VanDerWaalsContact C-O 3.32Å; G46-K135 VanDerWaalsContact CA-O 3.28Å; G46-K135 WeakPolarHBondContact CA-O 3.33Å; G46-K135 PolarHBondContact N-O 3.17Å; G46-F136 CarbonylContact O-C 3.25Å; G46-F136 VanDerWaalsContact O-C 3.25Å; G46-F136 WeakPolarHBondContact O-CA 3.5Å; G46-S137 PolarHBondContact O-N 3.4Å
47S97.3Very high97.8Very high44 Ų4444.7 Ų44.731%0.30822%0.22SC..  trans-62.5152.2-177.962.90000112.2Y49 R50 N51S47-Y49 VanDerWaalsContact C-N 3.33Å; S47-Y49 PolarHBondContact O-N 3.33Å; S47-R50 PolarHBondContact O-N 2.92Å; S47-R50 WeakPolarHBondContact OG-CB 3.44Å; S47-N51 PolarHBondContact O-N 3.47Å
48F97.9Very high97.7Very high31 Ų3145.8 Ų45.814%0.13623%0.225CC..Hα-helixtrans-54.2-48.4176.4176.9-106.2000112.4R50 N51 K52 R141 L142 D145F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 3.37Å; F48-N51 PolarHBondContact O-N 3.5Å; F48-N51 VanDerWaalsContact O-N 3.16Å; F48-K52 HydrophobicContact CE1-CD 4Å; F48-K52 HydrophobicContact CZ-CD 4.17Å; F48-K52 WeakPolarHBondContact O-CB 3.41Å; F48-K52 PolarHBondContact O-N 3.47Å; F48-R141 HydrophobicContact CD2-CB 4.46Å; F48-R141 HydrophobicContact CD2-CG 4.09Å; F48-R141 HydrophobicContact CE1-CG 4.48Å; F48-R141 HydrophobicContact CE2-CB 3.95Å; F48-R141 HydrophobicContact CE2-CG 3.49Å; F48-R141 VanDerWaalsContact CE2-CG 3.49Å; F48-R141 HydrophobicContact CZ-CG 3.72Å; F48-L142 HydrophobicContact CE2-CB 4.25Å; F48-D145 WeakPolarHBondContact CE1-OD2 3.27Å; F48-D145 HydrophobicContact CZ-CB 4.22Å; F48-D145 VanDerWaalsContact CZ-OD2 3.26Å; F48-D145 WeakPolarHBondContact CZ-OD2 3.48Å
49Y97.7Very high97.7Very high165 Ų16546.9 Ų46.965%0.64723%0.231SC*.Hα-helixtrans-56.1-46.3-179.2-172.8-106000112.3S47 N51 K52 L53S47-Y49 VanDerWaalsContact C-N 3.33Å; S47-Y49 PolarHBondContact O-N 3.33Å; Y49-N51 PolarHBondContact O-N 2.89Å; Y49-K52 WeakPolarHBondContact O-CB 3.44Å; Y49-K52 PolarHBondContact O-N 2.97Å; Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.44Å; Y49-L53 HydrophobicContact CE1-CD1 3.42Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 PolarHBondContact O-N 2.91Å
50R97.6Very high97.6Very high105 Ų10556.6 Ų56.640%0.39627%0.268SS..Hα-helixtrans-61.9-44.7178-169.8-172.972.6137.1-1.4112.1S45 S47 F48 K52 L53 K54S45-R50 PolarHBondContact O-NH2 3.49Å; S47-R50 PolarHBondContact O-N 2.92Å; S47-R50 WeakPolarHBondContact OG-CB 3.44Å; F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 3.37Å; R50-K52 VanDerWaalsContact C-N 3.32Å; R50-L53 PolarHBondContact O-N 3.3Å; R50-K54 WeakPolarHBondContact O-CG 3.42Å; R50-K54 PolarHBondContact O-N 3.4Å; R50-K54 VanDerWaalsContact O-N 3.08Å
51N98Very high97.5Very high9 Ų961 Ų615%0.04829%0.287CS..Hα-helixtrans-70.3-30.7179.7-70.1-29000111.9S45 G46 S47 F48 Y49 Y55 S137S45-N51 PolarHBondContact O-ND2 3.45Å; G46-N51 PolarHBondContact O-ND2 3.34Å; S47-N51 PolarHBondContact O-N 3.47Å; F48-N51 PolarHBondContact O-N 3.5Å; F48-N51 VanDerWaalsContact O-N 3.16Å; Y49-N51 PolarHBondContact O-N 2.89Å; N51-Y55 PolarHBondContact O-N 2.9Å; N51-Y55 VanDerWaalsContact O-N 3.13Å; N51-S137 PolarHBondContact ND2-OG 3.19Å
52K97.7Very high97.4Very high59 Ų5968.4 Ų68.426%0.25731%0.311SS..Hα-helixtrans-63.6-51.2171.1-174.2173.5-179.5170.20111.3F48 Y49 R50 K54 Y55 L56 L142 D145F48-K52 HydrophobicContact CE1-CD 4Å; F48-K52 HydrophobicContact CZ-CD 4.17Å; F48-K52 WeakPolarHBondContact O-CB 3.41Å; F48-K52 PolarHBondContact O-N 3.47Å; Y49-K52 WeakPolarHBondContact O-CB 3.44Å; Y49-K52 PolarHBondContact O-N 2.97Å; R50-K52 VanDerWaalsContact C-N 3.32Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.29Å; K52-Y55 PolarHBondContact O-N 3.19Å; K52-L56 HydrophobicContact CG-CD1 4.06Å; K52-L56 HydrophobicContact CG-CG 4.34Å; K52-L56 WeakPolarHBondContact O-CG 3.49Å; K52-L56 PolarHBondContact O-N 2.87Å; K52-L142 HydrophobicContact CB-CD1 4.14Å; K52-D145 HydrophobicContact CD-CB 4.39Å; K52-D145 IonicContact NZ-OD2 2.74Å; K52-D145 PolarHBondContact NZ-OD2 3.33Å
53L97.9Very high97.4Very high83 Ų8372.1 Ų72.144%0.43533%0.329SS..Hα-helixtrans-58-43.6177.6-71.4179.2000112.5Y49 R50 Y55 L56 D57Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.44Å; Y49-L53 HydrophobicContact CE1-CD1 3.42Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 PolarHBondContact O-N 2.91Å; R50-L53 PolarHBondContact O-N 3.3Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.23Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-D57 PolarHBondContact O-N 3.22Å
54K97.9Very high97.3Very high116 Ų11678.8 Ų78.850%0.50437%0.365SS..Hα-helixtrans-57.6-40.9174.4-74.7179.9177-168.60112.6R50 K52 F58R50-K54 WeakPolarHBondContact O-CG 3.42Å; R50-K54 PolarHBondContact O-N 3.4Å; R50-K54 VanDerWaalsContact O-N 3.08Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.29Å; K54-F58 PolarHBondContact O-N 2.98Å
55Y97.5Very high97.2Very high25 Ų2583.1 Ų83.110%0.09839%0.393CS..Hα-helixtrans-71.6-41.9178.4-151.8-91.2000111.5N51 K52 L53 D57 F58 L59 F74 I80 L142 V146N51-Y55 PolarHBondContact O-N 2.9Å; N51-Y55 VanDerWaalsContact O-N 3.13Å; K52-Y55 PolarHBondContact O-N 3.19Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.23Å; Y55-D57 VanDerWaalsContact C-N 3.33Å; Y55-D57 PolarHBondContact O-N 3.34Å; Y55-F58 HydrophobicContact CE1-CD1 4.4Å; Y55-F58 HydrophobicContact CE2-CD1 4.29Å; Y55-F58 WeakPolarHBondContact O-CA 3.26Å; Y55-F58 WeakPolarHBondContact O-CB 3.46Å; Y55-F58 PolarHBondContact O-N 3.44Å; Y55-F58 VanDerWaalsContact O-N 3.08Å; Y55-L59 HydrophobicContact CD1-CD1 4.43Å; Y55-L59 HydrophobicContact CD1-CD2 3.97Å; Y55-L59 HydrophobicContact CD1-CG 4.22Å; Y55-L59 HydrophobicContact CE1-CD2 3.77Å; Y55-L59 HydrophobicContact CE1-CG 4.49Å; Y55-L59 WeakPolarHBondContact O-CG 2.92Å; Y55-L59 PolarHBondContact O-N 3.42Å; Y55-L59 VanDerWaalsContact O-N 3.12Å; Y55-F74 PolarHBondContact OH-O 2.97Å; Y55-I80 HydrophobicContact CE2-CD1 3.94Å; Y55-I80 HydrophobicContact CE2-CG1 4.19Å; Y55-I80 HydrophobicContact CE2-CG2 4.41Å; Y55-I80 WeakPolarHBondContact OH-CG1 3.4Å; Y55-L142 HydrophobicContact CD2-CD2 4.38Å; Y55-V146 HydrophobicContact CD1-CB 3.9Å; Y55-V146 HydrophobicContact CD1-CG1 3.63Å; Y55-V146 HydrophobicContact CD1-CG2 3.85Å; Y55-V146 HydrophobicContact CE1-CB 4.19Å; Y55-V146 HydrophobicContact CE1-CG1 4.39Å; Y55-V146 HydrophobicContact CE1-CG2 3.76Å; Y55-V146 HydrophobicContact CG-CG1 4.25Å
56L97.6Very high97.2Very high61 Ų6183.9 Ų83.932%0.31939%0.393SS..Hα-helixtrans-60.9-39.5177.2-69.1175.7000112.3K52 L53 F58 L59 R60K52-L56 HydrophobicContact CG-CD1 4.06Å; K52-L56 HydrophobicContact CG-CG 4.34Å; K52-L56 WeakPolarHBondContact O-CG 3.49Å; K52-L56 PolarHBondContact O-N 2.87Å; L53-L56 PolarHBondContact O-N 3.4Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.88Å; L56-L59 HydrophobicContact CD2-CD1 3.96Å; L56-L59 WeakPolarHBondContact O-CB 3.21Å; L56-L59 PolarHBondContact O-N 2.76Å; L56-R60 PolarHBondContact O-N 2.88Å
57D97.8Very high97.1Very high76 Ų7686.6 Ų86.641%0.40641%0.407SS..Hα-helixtrans-59-43.1171.8176.864000111.8L53 Y55 L59 R60 K61L53-D57 PolarHBondContact O-N 3.22Å; Y55-D57 VanDerWaalsContact C-N 3.33Å; Y55-D57 PolarHBondContact O-N 3.34Å; D57-L59 PolarHBondContact O-N 3.31Å; D57-R60 PolarHBondContact O-N 3.21Å; D57-K61 WeakPolarHBondContact OD2-CE 3.47Å; D57-K61 IonicContact OD2-NZ 2.84Å; D57-K61 PolarHBondContact OD2-NZ 2.84Å
58F96.6Very high97.1Very high23 Ų2387.9 Ų87.910%0.10142%0.416CS..Hα-helixtrans-58.8-36.4173.9169.2-121.5000112.1K54 Y55 L56 R60 K61 P71 H73 R83K54-F58 PolarHBondContact O-N 2.98Å; Y55-F58 HydrophobicContact CE1-CD1 4.4Å; Y55-F58 HydrophobicContact CE2-CD1 4.29Å; Y55-F58 WeakPolarHBondContact O-CA 3.26Å; Y55-F58 WeakPolarHBondContact O-CB 3.46Å; Y55-F58 PolarHBondContact O-N 3.44Å; Y55-F58 VanDerWaalsContact O-N 3.08Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.88Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 2.82Å; F58-K61 HydrophobicContact CD2-CD 4.45Å; F58-K61 VanDerWaalsContact O-CB 3.32Å; F58-K61 WeakPolarHBondContact O-CB 3.41Å; F58-K61 PolarHBondContact O-N 2.76Å; F58-K61 VanDerWaalsContact O-N 3.14Å; F58-P71 HydrophobicContact CE2-CB 4.5Å; F58-H73 AromaticContact CD1-ND1 3.61Å; F58-H73 AromaticContact CD2-CE1 3.92Å; F58-H73 AromaticContact CD2-ND1 3.94Å; F58-H73 HydrophobicContact CE1-CB 4.4Å; F58-H73 AromaticContact CE1-ND1 3.12Å; F58-H73 WeakPolarHBondContact CE1-ND1 3.33Å; F58-H73 AromaticContact CE2-CE1 3.58Å; F58-H73 AromaticContact CE2-ND1 3.47Å; F58-H73 WeakPolarHBondContact CE2-ND1 3.36Å; F58-H73 AromaticContact CG-ND1 3.99Å; F58-H73 AromaticContact CZ-CE1 3.64Å; F58-H73 AromaticContact CZ-ND1 3.02Å; F58-H73 WeakPolarHBondContact CZ-ND1 3.45Å; F58-H73 PolarHBondContact O-CE1 3.26Å; F58-R83 VanDerWaalsContact CZ-NH2 3.32Å
59L96.2Very high97Very high37 Ų3795.7 Ų95.719%0.19445%0.445CS..Hα-helixtrans-68.6-28.5179.4-53.2-175.9000114.2Y55 L56 D57 K61 H73 R75 V146Y55-L59 HydrophobicContact CD1-CD1 4.43Å; Y55-L59 HydrophobicContact CD1-CD2 3.97Å; Y55-L59 HydrophobicContact CD1-CG 4.22Å; Y55-L59 HydrophobicContact CE1-CD2 3.77Å; Y55-L59 HydrophobicContact CE1-CG 4.49Å; Y55-L59 WeakPolarHBondContact O-CG 2.92Å; Y55-L59 PolarHBondContact O-N 3.42Å; Y55-L59 VanDerWaalsContact O-N 3.12Å; L56-L59 HydrophobicContact CD2-CD1 3.96Å; L56-L59 WeakPolarHBondContact O-CB 3.21Å; L56-L59 PolarHBondContact O-N 2.76Å; D57-L59 PolarHBondContact O-N 3.31Å; L59-K61 PolarHBondContact O-N 3.17Å; L59-H73 HydrophobicContact CD2-CB 3.66Å; L59-H73 PolarHBondContact O-NE2 2.96Å; L59-R75 VanDerWaalsContact CD2-CZ 3.45Å; L59-R75 VanDerWaalsContact CD2-NH2 3.34Å; L59-V146 HydrophobicContact CD1-CB 4.5Å
60R96.6Very high96.9Very high205 Ų20588.4 Ų88.477%0.77442%0.42SS*.Hα-helixtrans-67.2-21.5175.8-66.3177.1177.9179.2-3.6111.6L56 D57 F58 R62L56-R60 PolarHBondContact O-N 2.88Å; D57-R60 PolarHBondContact O-N 3.21Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 2.82Å; R60-R62 PolarHBondContact O-N 3Å
61K96.7Very high96.9Very high109 Ų10986.3 Ų86.347%0.47442%0.42SS..  trans-7496.5177.8-60.3171.6-175.7148.30109.6D57 F58 L59 H73D57-K61 WeakPolarHBondContact OD2-CE 3.47Å; D57-K61 IonicContact OD2-NZ 2.84Å; D57-K61 PolarHBondContact OD2-NZ 2.84Å; F58-K61 HydrophobicContact CD2-CD 4.45Å; F58-K61 VanDerWaalsContact O-CB 3.32Å; F58-K61 WeakPolarHBondContact O-CB 3.41Å; F58-K61 PolarHBondContact O-N 2.76Å; F58-K61 VanDerWaalsContact O-N 3.14Å; L59-K61 PolarHBondContact O-N 3.17Å; K61-H73 PolarHBondContact O-CE1 2.84Å; K61-H73 PolarHBondContact O-NE2 2.87Å
62R96Very high96.8Very high180 Ų18093.3 Ų93.368%0.67945%0.447SS*.  trans-127.8151174.464.9-178.6-175.91801.4110R60 N64R60-R62 PolarHBondContact O-N 3Å; R62-N64 PolarHBondContact O-N 3.36Å
63M97.3Very high96.7Very high78 Ų7892.5 Ų92.538%0.38444%0.444SS..  trans-69.4127168.5-175.6176.4-148.100108.1R69M63-R69 HydrophobicContact SD-CB 3.81Å
64N96Very high96.7Very high145 Ų14591.6 Ų91.678%0.77544%0.436SS*.SBendtrans-68.7-40.3-174.5-164.319.8000112.1R62R62-N64 PolarHBondContact O-N 3.36Å
65T97.2Very high96.7Very high123 Ų12389.6 Ų89.676%0.75543%0.426SS*.SBendtrans-74.7-49.3-176.251.90000113.2
66N96.4Very high96.7Very high68 Ų6889.3 Ų89.336%0.36443%0.429SS..  trans-140.596.4177-174-13.3000110.6S68 R69N66-S68 PolarHBondContact ND2-OG 3.44Å; N66-S68 PolarHBondContact O-N 3.34Å; N66-S68 WeakPolarHBondContact OD1-CB 3.37Å; N66-S68 PolarHBondContact OD1-N 3.08Å; N66-S68 VanDerWaalsContact OD1-N 3.14Å; N66-S68 PolarHBondContact OD1-OG 2.84Å; N66-R69 PolarHBondContact O-N 3.49Å
67P96.3Very high96.7Very high76 Ų7686.4 Ų86.449%0.49441%0.413SS..G310 helixtrans-56.1-27.3-177.9-28.435.8000114.6R69 G70P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.48Å; P67-G70 PolarHBondContact O-N 3.27Å; P67-G70 VanDerWaalsContact O-N 3.12Å
68S96.5Very high96.8Very high71 Ų7182.9 Ų82.950%0.49740%0.395SS..G310 helixtrans-67.4-28.8179.1710000113.2N66 G70 Y72N66-S68 PolarHBondContact ND2-OG 3.44Å; N66-S68 PolarHBondContact O-N 3.34Å; N66-S68 WeakPolarHBondContact OD1-CB 3.37Å; N66-S68 PolarHBondContact OD1-N 3.08Å; N66-S68 VanDerWaalsContact OD1-N 3.14Å; N66-S68 PolarHBondContact OD1-OG 2.84Å; S68-G70 VanDerWaalsContact C-N 3.3Å; S68-Y72 PolarHBondContact O-OH 3.47Å
69R96.1Very high96.8Very high195 Ų19586.3 Ų86.374%0.73641%0.41SS*.G310 helixtrans-85-7.1174.8-65-174.369.7175.22112.8M63 N66 P67M63-R69 HydrophobicContact SD-CB 3.81Å; N66-R69 PolarHBondContact O-N 3.49Å; P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.48Å
70G95.5Very high96.9Very high13 Ų1385 Ų8513%0.13440%0.403CS..SBendtrans-77.9-167.6-176.600000114.5P67 S68 Y72P67-G70 PolarHBondContact O-N 3.27Å; P67-G70 VanDerWaalsContact O-N 3.12Å; S68-G70 VanDerWaalsContact C-N 3.3Å; G70-Y72 PolarHBondContact O-N 3.42Å
71P96.5Very high97Very high61 Ų6175.2 Ų75.240%0.39637%0.366SS..  trans-63.7125.3175.2-20.433.1000111.9F58 H73F58-P71 HydrophobicContact CE2-CB 4.5Å; P71-H73 PolarHBondContact O-N 3.01Å
72Y96.4Very high97.1Very high156 Ų15672.6 Ų72.661%0.61235%0.353SS*.  trans-77.4124.4172.7-63.2-76000111.9S68 G70 F74S68-Y72 PolarHBondContact O-OH 3.47Å; G70-Y72 PolarHBondContact O-N 3.42Å; Y72-F74 PolarHBondContact O-N 3.44Å
73H97Very high97.2Very high42 Ų4268.5 Ų68.519%0.19434%0.338CS..  trans-96.785.6179.8-60.8-50.6000111.4F58 L59 K61 P71 R75F58-H73 AromaticContact CD1-ND1 3.61Å; F58-H73 AromaticContact CD2-CE1 3.92Å; F58-H73 AromaticContact CD2-ND1 3.94Å; F58-H73 HydrophobicContact CE1-CB 4.4Å; F58-H73 AromaticContact CE1-ND1 3.12Å; F58-H73 WeakPolarHBondContact CE1-ND1 3.33Å; F58-H73 AromaticContact CE2-CE1 3.58Å; F58-H73 AromaticContact CE2-ND1 3.47Å; F58-H73 WeakPolarHBondContact CE2-ND1 3.36Å; F58-H73 AromaticContact CG-ND1 3.99Å; F58-H73 AromaticContact CZ-CE1 3.64Å; F58-H73 AromaticContact CZ-ND1 3.02Å; F58-H73 WeakPolarHBondContact CZ-ND1 3.45Å; F58-H73 PolarHBondContact O-CE1 3.26Å; L59-H73 HydrophobicContact CD2-CB 3.66Å; L59-H73 PolarHBondContact O-NE2 2.96Å; K61-H73 PolarHBondContact O-CE1 2.84Å; K61-H73 PolarHBondContact O-NE2 2.87Å; P71-H73 PolarHBondContact O-N 3.01Å; H73-R75 PolarHBondContact O-NE 2.94Å
74F97.2Very high97.3Very high63 Ų6366.5 Ų66.528%0.27633%0.33SS..  trans-63.7139.2176.5-64.4-66.9000111.7Y55 Y72 K79 W82 R83Y55-F74 PolarHBondContact OH-O 2.97Å; Y72-F74 PolarHBondContact O-N 3.44Å; F74-K79 HydrophobicContact CB-CB 3.58Å; F74-K79 HydrophobicContact CD1-CB 3.93Å; F74-K79 HydrophobicContact CD1-CD 4.41Å; F74-K79 HydrophobicContact CD1-CG 4.14Å; F74-K79 HydrophobicContact CD2-CB 4.41Å; F74-K79 HydrophobicContact CG-CB 3.71Å; F74-K79 HydrophobicContact CG-CG 4.43Å; F74-W82 HydrophobicContact CE2-CE3 4.41Å; F74-W82 HydrophobicContact CE2-CZ3 4.01Å; F74-W82 HydrophobicContact CZ-CZ3 4.38Å; F74-R83 HydrophobicContact CD2-CB 4.41Å
75R97.2Very high97.4Very high74 Ų7459.6 Ų59.628%0.27929%0.293SS..  trans-100-30.9179-52.2-50.3-177.7174.6-11.4113.2L59 H73 S143 V146 W148L59-R75 VanDerWaalsContact CD2-CZ 3.45Å; L59-R75 VanDerWaalsContact CD2-NH2 3.34Å; H73-R75 PolarHBondContact O-NE 2.94Å; R75-S143 WeakPolarHBondContact O-CB 3.3Å; R75-S143 PolarHBondContact O-OG 2.99Å; R75-V146 WeakPolarHBondContact CD-O 3.49Å; R75-V146 PolarHBondContact NE-O 3.26Å; R75-V146 PolarHBondContact NH1-O 3.33Å; R75-V146 VanDerWaalsContact NH1-O 3.09Å; R75-W148 HydrophobicContact CB-CB 4.11Å
76A97.9Very high97.4Very high19 Ų1957.4 Ų57.416%0.15727%0.271CS..SBendtrans-73.4136.6-172.100000111.7A78 K79 I80 E107A76-A78 VanDerWaalsContact C-N 3.26Å; A76-A78 PolarHBondContact O-N 3.37Å; A76-K79 HydrophobicContact CB-CB 4.38Å; A76-K79 HydrophobicContact CB-CG 4.43Å; A76-K79 PolarHBondContact O-N 3.46Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 3.23Å; A76-E107 WeakPolarHBondContact CB-OE1 3.35Å
77P98.3Very high97.5Very high0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-51.8-40.9-179.8-25.229.3000113.9C39 E40 I80 F81 E107 L139 S143 W148C39-P77 HydrophobicContact CB-CB 4.26Å; E40-P77 HydrophobicContact CB-CB 4.24Å; E40-P77 HydrophobicContact CB-CG 3.96Å; P77-I80 PolarHBondContact O-N 2.97Å; P77-F81 PolarHBondContact O-N 3.44Å; P77-E107 HydrophobicContact CB-CG 4.25Å; P77-E107 HydrophobicContact CG-CG 4.19Å; P77-L139 HydrophobicContact CB-CD2 3.81Å; P77-L139 HydrophobicContact CB-CG 3.89Å; P77-L139 WeakPolarHBondContact O-CD2 3.37Å; P77-S143 WeakPolarHBondContact CG-OG 3.42Å; P77-W148 VanDerWaalsContact CD-CD2 3.4Å; P77-W148 VanDerWaalsContact CD-CE2 3.45Å; P77-W148 HydrophobicContact CG-CD2 4.09Å; P77-W148 HydrophobicContact CG-CE3 3.76Å; P77-W148 HydrophobicContact CG-CH2 3.81Å; P77-W148 HydrophobicContact CG-CZ2 4.13Å; P77-W148 HydrophobicContact CG-CZ3 3.61Å
78A98.2Very high97.6Very high3 Ų357.6 Ų57.63%0.02528%0.282CS..Hα-helixtrans-66.2-41179.300000111.2C39 A76 F81 W82 V105 E107C39-A78 HydrophobicContact CB-CB 3.93Å; A76-A78 VanDerWaalsContact C-N 3.26Å; A76-A78 PolarHBondContact O-N 3.37Å; A78-F81 PolarHBondContact O-N 3.37Å; A78-W82 WeakPolarHBondContact O-CB 3.36Å; A78-W82 PolarHBondContact O-N 3.47Å; A78-V105 HydrophobicContact CB-CB 4.03Å; A78-V105 HydrophobicContact CB-CG2 4Å; A78-E107 HydrophobicContact CB-CG 4.08Å; A78-E107 WeakPolarHBondContact CB-OE1 3.18Å; A78-E107 PolarHBondContact N-OE1 3.24Å
79K98Very high97.7Very high94 Ų9454.6 Ų54.641%0.40926%0.26SS..Hα-helixtrans-71.9-31.6177.5-70.1-65.9-171.6179.90112.9F74 A76 W82 R83F74-K79 HydrophobicContact CB-CB 3.58Å; F74-K79 HydrophobicContact CD1-CB 3.93Å; F74-K79 HydrophobicContact CD1-CD 4.41Å; F74-K79 HydrophobicContact CD1-CG 4.14Å; F74-K79 HydrophobicContact CD2-CB 4.41Å; F74-K79 HydrophobicContact CG-CB 3.71Å; F74-K79 HydrophobicContact CG-CG 4.43Å; A76-K79 HydrophobicContact CB-CB 4.38Å; A76-K79 HydrophobicContact CB-CG 4.43Å; A76-K79 PolarHBondContact O-N 3.46Å; K79-W82 PolarHBondContact O-N 3.05Å; K79-R83 WeakPolarHBondContact O-CB 3.38Å; K79-R83 PolarHBondContact O-N 3.4Å
80I98.1Very high97.7Very high10 Ų1048.1 Ų48.15%0.05124%0.243CC..Hα-helixtrans-61.8-50.2170.4-66.8172.5000109.5Y55 A76 P77 W82 R83 T84 L139 S143Y55-I80 HydrophobicContact CE2-CD1 3.94Å; Y55-I80 HydrophobicContact CE2-CG1 4.19Å; Y55-I80 HydrophobicContact CE2-CG2 4.41Å; Y55-I80 WeakPolarHBondContact OH-CG1 3.4Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 3.23Å; P77-I80 PolarHBondContact O-N 2.97Å; I80-W82 PolarHBondContact O-N 3.32Å; I80-R83 PolarHBondContact O-N 2.81Å; I80-T84 PolarHBondContact O-N 2.8Å; I80-T84 PolarHBondContact O-OG1 3.29Å; I80-T84 VanDerWaalsContact O-OG1 3.13Å; I80-L139 HydrophobicContact CB-CD1 4.48Å; I80-L139 HydrophobicContact CB-CD2 4.48Å; I80-L139 HydrophobicContact CD1-CD1 4.09Å; I80-L139 HydrophobicContact CG2-CD1 4.05Å; I80-L139 HydrophobicContact CG2-CD2 4.47Å; I80-S143 WeakPolarHBondContact CD1-OG 3.41Å
81F98.5Very high97.8Very high0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-60.9-44.5177178.3-105.4000112.2L17 L20 A21 V24 V36 I42 P77 A78 R83 T84 V85 V105L17-F81 HydrophobicContact CD1-CB 4.12Å; L17-F81 HydrophobicContact CD1-CD2 3.75Å; L17-F81 HydrophobicContact CD1-CG 4.43Å; L20-F81 HydrophobicContact CB-CE2 4.18Å; L20-F81 HydrophobicContact CD2-CE2 3.92Å; L20-F81 HydrophobicContact CD2-CZ 3.98Å; L20-F81 HydrophobicContact CG-CE2 3.88Å; L20-F81 HydrophobicContact CG-CZ 3.88Å; A21-F81 HydrophobicContact CB-CD2 4.44Å; A21-F81 HydrophobicContact CB-CE2 3.84Å; A21-F81 HydrophobicContact CB-CZ 4.47Å; V24-F81 HydrophobicContact CG2-CZ 4.25Å; V36-F81 HydrophobicContact CB-CD1 4.43Å; V36-F81 HydrophobicContact CB-CE1 3.88Å; V36-F81 HydrophobicContact CG1-CD1 4.24Å; V36-F81 HydrophobicContact CG1-CE1 3.82Å; V36-F81 HydrophobicContact CG1-CZ 4.29Å; V36-F81 HydrophobicContact CG2-CE1 3.68Å; V36-F81 HydrophobicContact CG2-CZ 4.18Å; I42-F81 HydrophobicContact CD1-CB 4.02Å; I42-F81 HydrophobicContact CD1-CD2 3.75Å; I42-F81 HydrophobicContact CD1-CE2 4.37Å; I42-F81 HydrophobicContact CD1-CG 3.85Å; P77-F81 PolarHBondContact O-N 3.44Å; A78-F81 PolarHBondContact O-N 3.37Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 2.91Å; F81-T84 WeakPolarHBondContact O-CB 3.3Å; F81-T84 PolarHBondContact O-N 2.94Å; F81-T84 VanDerWaalsContact O-N 3.14Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CE1-CG2 3.82Å; F81-V85 HydrophobicContact CE2-CG2 4.13Å; F81-V85 HydrophobicContact CZ-CG2 3.72Å; F81-V85 WeakPolarHBondContact O-CG2 3.39Å; F81-V85 PolarHBondContact O-N 2.9Å; F81-V105 HydrophobicContact CD1-CG1 3.62Å; F81-V105 HydrophobicContact CE1-CG1 4.01Å
82W98.6Very high97.8Very high53 Ų5354.3 Ų54.320%0.20126%0.26CS..Hα-helixtrans-59-41.1174.7178.591.6000112.5F74 A78 K79 I80 T84 V85 R86 L100 V105F74-W82 HydrophobicContact CE2-CE3 4.41Å; F74-W82 HydrophobicContact CE2-CZ3 4.01Å; F74-W82 HydrophobicContact CZ-CZ3 4.38Å; A78-W82 WeakPolarHBondContact O-CB 3.36Å; A78-W82 PolarHBondContact O-N 3.47Å; K79-W82 PolarHBondContact O-N 3.05Å; I80-W82 PolarHBondContact O-N 3.32Å; W82-T84 VanDerWaalsContact C-N 3.33Å; W82-T84 PolarHBondContact O-N 2.97Å; W82-V85 PolarHBondContact O-N 3.12Å; W82-R86 WeakPolarHBondContact O-CB 3.44Å; W82-R86 PolarHBondContact O-N 2.89Å; W82-L100 HydrophobicContact CH2-CD2 4.18Å; W82-L100 HydrophobicContact CZ2-CD1 4.25Å; W82-L100 HydrophobicContact CZ2-CD2 3.44Å; W82-L100 VanDerWaalsContact CZ2-CD2 3.44Å; W82-L100 HydrophobicContact CZ2-CG 3.94Å; W82-V105 HydrophobicContact CB-CG1 4.47Å; W82-V105 HydrophobicContact CB-CG2 3.84Å; W82-V105 HydrophobicContact CG-CG2 4.38Å
83R98.3Very high97.9Very high94 Ų9452.3 Ų52.336%0.35526%0.26SS..Hα-helixtrans-64.5-39175.8-174.5178.5-179.9-80.9-4.6111.3F58 F74 K79 I80 F81 R86 G87F58-R83 VanDerWaalsContact CZ-NH2 3.32Å; F74-R83 HydrophobicContact CD2-CB 4.41Å; K79-R83 WeakPolarHBondContact O-CB 3.38Å; K79-R83 PolarHBondContact O-N 3.4Å; I80-R83 PolarHBondContact O-N 2.81Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 2.91Å; R83-R86 PolarHBondContact O-N 2.77Å; R83-G87 PolarHBondContact O-N 2.94Å
84T98.2Very high97.9Very high37 Ų3756.7 Ų56.723%0.22728%0.28CS..Hα-helixtrans-62.4-46.9173.8-53.90000111.3A21 I80 F81 W82 G87 M88A21-T84 HydrophobicContact CB-CG2 3.7Å; I80-T84 PolarHBondContact O-N 2.8Å; I80-T84 PolarHBondContact O-OG1 3.29Å; I80-T84 VanDerWaalsContact O-OG1 3.13Å; F81-T84 WeakPolarHBondContact O-CB 3.3Å; F81-T84 PolarHBondContact O-N 2.94Å; F81-T84 VanDerWaalsContact O-N 3.14Å; W82-T84 VanDerWaalsContact C-N 3.33Å; W82-T84 PolarHBondContact O-N 2.97Å; T84-G87 PolarHBondContact O-N 2.89Å; T84-M88 HydrophobicContact CG2-CE 3.99Å; T84-M88 PolarHBondContact O-N 3.26Å
85V98.5Very high97.9Very high0 Ų061.5 Ų61.50%030%0.296CS..Hα-helixtrans-63.5-43.1176.8178.80000111.2A21 V24 A25 L28 F81 W82 G87 M88 L89 L103A21-V85 HydrophobicContact CB-CG2 3.74Å; V24-V85 HydrophobicContact CG1-CG1 4.38Å; V24-V85 HydrophobicContact CG1-CG2 4.33Å; A25-V85 HydrophobicContact CB-CG1 4.27Å; L28-V85 HydrophobicContact CD1-CG1 3.76Å; F81-V85 HydrophobicContact CD1-CG2 4.34Å; F81-V85 HydrophobicContact CE1-CG2 3.82Å; F81-V85 HydrophobicContact CE2-CG2 4.13Å; F81-V85 HydrophobicContact CZ-CG2 3.72Å; F81-V85 WeakPolarHBondContact O-CG2 3.39Å; F81-V85 PolarHBondContact O-N 2.9Å; W82-V85 PolarHBondContact O-N 3.12Å; V85-G87 VanDerWaalsContact C-N 3.26Å; V85-G87 PolarHBondContact O-N 3Å; V85-M88 CarbonylContact O-C 3.58Å; V85-M88 WeakPolarHBondContact O-CA 3.43Å; V85-M88 PolarHBondContact O-N 2.99Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 HydrophobicContact CG1-CG 4.4Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.36Å; V85-L103 HydrophobicContact CB-CD2 3.86Å; V85-L103 HydrophobicContact CG1-CD2 3.72Å; V85-L103 HydrophobicContact CG2-CD2 4.15Å
86R98.3Very high97.9Very high77 Ų7758 Ų5829%0.29128%0.283SS..Hα-helixtrans-56.7-39.5174.7177.4-172.7160.9-139.3-5.1112W82 R83 M88 L89 H91 L100W82-R86 WeakPolarHBondContact O-CB 3.44Å; W82-R86 PolarHBondContact O-N 2.89Å; R83-R86 PolarHBondContact O-N 2.77Å; R86-M88 PolarHBondContact O-N 3.11Å; R86-L89 PolarHBondContact O-N 3.26Å; R86-H91 HydrophobicContact CG-CB 3.9Å; R86-H91 PolarHBondContact NE-CD2 3.47Å; R86-H91 PolarHBondContact NE-NE2 3.27Å; R86-H91 PolarHBondContact NH2-CD2 2.94Å; R86-H91 PolarHBondContact NH2-NE2 3.08Å; R86-H91 PolarHBondContact O-ND1 3.34Å; R86-L100 HydrophobicContact CB-CD1 4.15Å; R86-L100 HydrophobicContact CB-CD2 4.2Å; R86-L100 HydrophobicContact CG-CD2 3.97Å
87G98.1Very high97.9Very high64 Ų6462.6 Ų62.666%0.6630%0.299SS*.Hα-helixtrans-67.1-23.1176.800000113.8R83 T84 V85R83-G87 PolarHBondContact O-N 2.94Å; T84-G87 PolarHBondContact O-N 2.89Å; V85-G87 VanDerWaalsContact C-N 3.26Å; V85-G87 PolarHBondContact O-N 3Å
88M98.4Very high97.9Very high84 Ų8466.9 Ų66.941%0.41432%0.32SS..THydrogen-bonded Turntrans-91.9-2.9175.7-63.9175.5176.900113.2A21 S22 A25 T84 V85 R86A21-M88 VanDerWaalsContact C-SD 3.52Å; A21-M88 HydrophobicContact CB-CE 4.07Å; A21-M88 HydrophobicContact CB-SD 3.68Å; S22-M88 VanDerWaalsContact CA-SD 3.56Å; S22-M88 PolarHBondContact N-SD 3.25Å; S22-M88 VanDerWaalsContact N-SD 3.37Å; A25-M88 HydrophobicContact CB-CB 3.84Å; T84-M88 HydrophobicContact CG2-CE 3.99Å; T84-M88 PolarHBondContact O-N 3.26Å; V85-M88 CarbonylContact O-C 3.58Å; V85-M88 WeakPolarHBondContact O-CA 3.43Å; V85-M88 PolarHBondContact O-N 2.99Å; R86-M88 PolarHBondContact O-N 3.11Å
89L97.7Very high97.8Very high8 Ų866.9 Ų66.94%0.04232%0.32CS..THydrogen-bonded Turntrans-109.1147.5177.5-68.6174.6000110.4A25 L28 L29 V85 R86 H91 A99 L100A25-L89 HydrophobicContact CB-CD2 4.01Å; A25-L89 HydrophobicContact CB-CG 4.28Å; L28-L89 HydrophobicContact CD1-CD1 4.11Å; L29-L89 HydrophobicContact CD1-CD2 3.94Å; L29-L89 HydrophobicContact CD2-CD2 3.91Å; L29-L89 HydrophobicContact CG-CD2 3.55Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 HydrophobicContact CG1-CG 4.4Å; V85-L89 WeakPolarHBondContact O-CG 3.46Å; V85-L89 PolarHBondContact O-N 3.36Å; R86-L89 PolarHBondContact O-N 3.26Å; L89-H91 PolarHBondContact O-N 3.38Å; L89-H91 PolarHBondContact O-ND1 3.3Å; L89-A99 HydrophobicContact CD1-CB 4.32Å; L89-A99 HydrophobicContact CD2-CB 4.32Å; L89-L100 HydrophobicContact CD1-CB 4.33Å; L89-L100 HydrophobicContact CD1-CD1 4.11Å
90P97.6Very high97.8Very high58 Ų5863.3 Ų63.338%0.37731%0.305SS..THydrogen-bonded Turntrans-73.959.4171.732.9-36.1000110.9L29 K92 L93 G96L29-P90 HydrophobicContact CD2-CG 4.46Å; P90-K92 PolarHBondContact O-N 3.37Å; P90-L93 HydrophobicContact CB-CD1 4.21Å; P90-L93 PolarHBondContact O-N 3.13Å; P90-G96 WeakPolarHBondContact O-CA 3.5Å
91H96.7Very high97.7Very high42 Ų4268.8 Ų68.819%0.19433%0.334CS..THydrogen-bonded Turntrans-66.3-6-167.470-88.7000115R86 L89 K97R86-H91 HydrophobicContact CG-CB 3.9Å; R86-H91 PolarHBondContact NE-CD2 3.47Å; R86-H91 PolarHBondContact NE-NE2 3.27Å; R86-H91 PolarHBondContact NH2-CD2 2.94Å; R86-H91 PolarHBondContact NH2-NE2 3.08Å; R86-H91 PolarHBondContact O-ND1 3.34Å; L89-H91 PolarHBondContact O-N 3.38Å; L89-H91 PolarHBondContact O-ND1 3.3Å; H91-K97 WeakPolarHBondContact O-CG 3.39Å
92K97.4Very high97.6Very high162 Ų16272 Ų7270%0.70435%0.348SS*.THydrogen-bonded Turntrans-80.4-31.7172.5-61.5-62.5-171.8167.10111.6P90P90-K92 PolarHBondContact O-N 3.37Å
93L97.8Very high97.6Very high115 Ų11570 Ų7060%0.60234%0.342SS*.SBendtrans-80154.1176.6-56.9179.6000111.3P90 R95 G96 K97P90-L93 HydrophobicContact CB-CD1 4.21Å; P90-L93 PolarHBondContact O-N 3.13Å; L93-R95 VanDerWaalsContact C-N 3.34Å; L93-R95 PolarHBondContact O-N 3.48Å; L93-G96 PolarHBondContact O-N 2.96Å; L93-G96 VanDerWaalsContact O-N 3.08Å; L93-K97 PolarHBondContact O-N 2.96Å
94H97.6Very high97.6Very high133 Ų13371 Ų7162%0.61635%0.348SS*.Hα-helixtrans-56.3-46.1179-173.979.5000112.4G96 K97 Q98H94-G96 VanDerWaalsContact C-N 3.27Å; H94-G96 PolarHBondContact O-N 3.3Å; H94-K97 WeakPolarHBondContact O-CB 3.43Å; H94-K97 PolarHBondContact O-N 3.06Å; H94-K97 VanDerWaalsContact O-N 3.13Å; H94-Q98 PolarHBondContact CD2-NE2 2.88Å; H94-Q98 PolarHBondContact NE2-NE2 3.11Å; H94-Q98 PolarHBondContact O-N 2.98Å
95R97Very high97.6Very high165 Ų16570.2 Ų70.262%0.62334%0.344SS*.Hα-helixtrans-56.6-39.8176.2-176.6178.4178.9175.72.9112.8L93 A99L93-R95 VanDerWaalsContact C-N 3.34Å; L93-R95 PolarHBondContact O-N 3.48Å; R95-A99 WeakPolarHBondContact O-CB 3.39Å; R95-A99 PolarHBondContact O-N 3Å
96G97.5Very high97.6Very high0 Ų073.2 Ų73.20%036%0.357CS..Hα-helixtrans-70.3-37.6178.500000112.6P90 L93 H94 A99 L100P90-G96 WeakPolarHBondContact O-CA 3.5Å; L93-G96 PolarHBondContact O-N 2.96Å; L93-G96 VanDerWaalsContact O-N 3.08Å; H94-G96 VanDerWaalsContact C-N 3.27Å; H94-G96 PolarHBondContact O-N 3.3Å; G96-A99 PolarHBondContact O-N 3.04Å; G96-L100 WeakPolarHBondContact O-CB 3.47Å; G96-L100 PolarHBondContact O-N 3.34Å
97K97.4Very high97.5Very high115 Ų11571.7 Ų71.750%0.535%0.353SS..Hα-helixtrans-61.1-50.8172.4-67176.9-179.2177.80110.7H91 L93 H94 A99 L100 D101H91-K97 WeakPolarHBondContact O-CG 3.39Å; L93-K97 PolarHBondContact O-N 2.96Å; H94-K97 WeakPolarHBondContact O-CB 3.43Å; H94-K97 PolarHBondContact O-N 3.06Å; H94-K97 VanDerWaalsContact O-N 3.13Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.02Å; K97-L100 WeakPolarHBondContact O-CA 3.25Å; K97-L100 WeakPolarHBondContact O-CB 3.43Å; K97-L100 PolarHBondContact O-N 3.43Å; K97-D101 VanDerWaalsContact O-CG 3.31Å; K97-D101 PolarHBondContact O-N 3.35Å
98Q97.3Very high97.5Very high91 Ų9168.8 Ų68.843%0.42532%0.323SS..Hα-helixtrans-57.4-39175.6-70.2-174.8-19.300113H94 L100 D101 K102H94-Q98 PolarHBondContact CD2-NE2 2.88Å; H94-Q98 PolarHBondContact NE2-NE2 3.11Å; H94-Q98 PolarHBondContact O-N 2.98Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; Q98-D101 PolarHBondContact O-N 3.33Å; Q98-K102 WeakPolarHBondContact O-CG 3.48Å; Q98-K102 PolarHBondContact O-N 3.47Å
99A97.1Very high97.5Very high3 Ų365.2 Ų65.23%0.02531%0.306CS..Hα-helixtrans-65.9-37.3175.800000111.8L28 L29 L89 R95 G96 K97 K102L28-A99 HydrophobicContact CB-CB 4.21Å; L29-A99 HydrophobicContact CD2-CB 4.08Å; L89-A99 HydrophobicContact CD1-CB 4.32Å; L89-A99 HydrophobicContact CD2-CB 4.32Å; R95-A99 WeakPolarHBondContact O-CB 3.39Å; R95-A99 PolarHBondContact O-N 3Å; G96-A99 PolarHBondContact O-N 3.04Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.02Å; A99-K102 PolarHBondContact O-N 3.41Å
100L97.5Very high97.4Very high18 Ų1866.7 Ų66.79%0.09432%0.316CS..Hα-helixtrans-70.6-34.7177.3-166.460.5000112.1W82 R86 L89 G96 K97 Q98 K102 L103W82-L100 HydrophobicContact CH2-CD2 4.18Å; W82-L100 HydrophobicContact CZ2-CD1 4.25Å; W82-L100 HydrophobicContact CZ2-CD2 3.44Å; W82-L100 VanDerWaalsContact CZ2-CD2 3.44Å; W82-L100 HydrophobicContact CZ2-CG 3.94Å; R86-L100 HydrophobicContact CB-CD1 4.15Å; R86-L100 HydrophobicContact CB-CD2 4.2Å; R86-L100 HydrophobicContact CG-CD2 3.97Å; L89-L100 HydrophobicContact CD1-CB 4.33Å; L89-L100 HydrophobicContact CD1-CD1 4.11Å; G96-L100 WeakPolarHBondContact O-CB 3.47Å; G96-L100 PolarHBondContact O-N 3.34Å; K97-L100 WeakPolarHBondContact O-CA 3.25Å; K97-L100 WeakPolarHBondContact O-CB 3.43Å; K97-L100 PolarHBondContact O-N 3.43Å; Q98-L100 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 2.8Å; L100-L103 HydrophobicContact CD1-CD2 4.32Å; L100-L103 WeakPolarHBondContact O-CB 3.36Å; L100-L103 PolarHBondContact O-N 3.37Å
101D96.8Very high97.4Very high126 Ų12668.9 Ų68.967%0.67433%0.33SS*.Hα-helixtrans-65.7-25.4175.9-62.9-26.9000112.6K97 Q98 L103K97-D101 VanDerWaalsContact O-CG 3.31Å; K97-D101 PolarHBondContact O-N 3.35Å; Q98-D101 PolarHBondContact O-N 3.33Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 3.46Å
102K96.4Very high97.3Very high68 Ų6870.5 Ų70.530%0.29634%0.344SS..THydrogen-bonded Turntrans-75.1-12.1174-67.8172.1-170.2-175.30113.3L28 G31 K33 V34 Q98 A99 L100L28-K102 HydrophobicContact CD2-CB 3.9Å; G31-K102 PolarHBondContact O-NZ 2.72Å; K33-K102 HydrophobicContact CG-CB 4.32Å; K33-K102 HydrophobicContact CG-CG 4.26Å; V34-K102 PolarHBondContact N-O 2.94Å; V34-K102 VanDerWaalsContact N-O 3.12Å; Q98-K102 WeakPolarHBondContact O-CG 3.48Å; Q98-K102 PolarHBondContact O-N 3.47Å; A99-K102 PolarHBondContact O-N 3.41Å; L100-K102 PolarHBondContact O-N 2.8Å
103L97.9Very high97.3Very high11 Ų1164 Ų646%0.05832%0.315CS..EExtended strand (participates in β ladder)trans-93125179.4179.363.4000111.2V24 L28 V34 V36 V85 L100 D101 V105V24-L103 HydrophobicContact CG1-CD1 3.8Å; L28-L103 HydrophobicContact CD1-CB 3.78Å; L28-L103 HydrophobicContact CD1-CD1 4.27Å; L28-L103 HydrophobicContact CD1-CD2 4.17Å; L28-L103 HydrophobicContact CD1-CG 4.28Å; L28-L103 HydrophobicContact CD2-CB 3.94Å; V34-L103 HydrophobicContact CB-CD1 4.45Å; V34-L103 WeakPolarHBondContact O-CA 3.25Å; V36-L103 HydrophobicContact CG2-CD1 4.25Å; V85-L103 HydrophobicContact CB-CD2 3.86Å; V85-L103 HydrophobicContact CG1-CD2 3.72Å; V85-L103 HydrophobicContact CG2-CD2 4.15Å; L100-L103 HydrophobicContact CD1-CD2 4.32Å; L100-L103 WeakPolarHBondContact O-CB 3.36Å; L100-L103 PolarHBondContact O-N 3.37Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 3.46Å; L103-V105 HydrophobicContact CD1-CG1 3.99Å; L103-V105 HydrophobicContact CD2-CG1 4.11Å; L103-V105 HydrophobicContact CG-CG1 3.94Å
104K97.8Very high97.1Very high113 Ų11360.9 Ų60.949%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-115.3137.3165.8-64-176.8175.5-172.10109.7V34 V35 V36 F106V34-K104 PolarHBondContact O-N 2.84Å; V35-K104 CarbonylContact C-O 3.57Å; V35-K104 VanDerWaalsContact CA-O 3.3Å; V35-K104 WeakPolarHBondContact CA-O 3.41Å; V35-K104 HydrophobicContact CB-CB 4.47Å; V35-K104 HydrophobicContact CG1-CB 4.24Å; V35-K104 HydrophobicContact CG2-CB 4.1Å; V35-K104 HydrophobicContact CG2-CD 4.48Å; V36-K104 PolarHBondContact N-O 3.47Å; K104-F106 HydrophobicContact CB-CE2 3.81Å; K104-F106 HydrophobicContact CB-CZ 4.2Å
105V98.3Very high97Very high22 Ų2263.6 Ų63.613%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-132137.6-178.6-68.90000109.3V36 A78 F81 W82 L103V36-V105 HydrophobicContact CB-CG1 4.3Å; V36-V105 CarbonylContact O-C 3.55Å; V36-V105 WeakPolarHBondContact O-CA 3.45Å; A78-V105 HydrophobicContact CB-CB 4.03Å; A78-V105 HydrophobicContact CB-CG2 4Å; F81-V105 HydrophobicContact CD1-CG1 3.62Å; F81-V105 HydrophobicContact CE1-CG1 4.01Å; W82-V105 HydrophobicContact CB-CG1 4.47Å; W82-V105 HydrophobicContact CB-CG2 3.84Å; W82-V105 HydrophobicContact CG-CG2 4.38Å; L103-V105 HydrophobicContact CD1-CG1 3.99Å; L103-V105 HydrophobicContact CD2-CG1 4.11Å; L103-V105 HydrophobicContact CG-CG1 3.94Å
106F98.4Very high96.9Very high63 Ų6360.4 Ų60.428%0.27630%0.3SS..  trans-139.8143.7-178.7-59.8-74.4000111.6V35 V36 V37 R38 C39 K104 P110 Y113V35-F106 HydrophobicContact CG1-CD2 3.92Å; V35-F106 HydrophobicContact CG1-CE2 3.83Å; V36-F106 PolarHBondContact O-N 3.49Å; V37-F106 HydrophobicContact CG1-CD2 4.36Å; R38-F106 PolarHBondContact N-O 3.02Å; C39-F106 PolarHBondContact N-O 3.37Å; C39-F106 VanDerWaalsContact N-O 3.11Å; C39-F106 PolarHBondContact SG-O 3.02Å; K104-F106 HydrophobicContact CB-CE2 3.81Å; K104-F106 HydrophobicContact CB-CZ 4.2Å; F106-P110 HydrophobicContact CB-CG 3.94Å; F106-P110 HydrophobicContact CD1-CG 3.81Å; F106-P110 HydrophobicContact CD2-CG 4.11Å; F106-P110 HydrophobicContact CE1-CG 4.33Å; F106-P110 HydrophobicContact CG-CG 3.68Å; F106-Y113 HydrophobicContact CD2-CD2 4.33Å; F106-Y113 HydrophobicContact CD2-CE2 4.12Å; F106-Y113 HydrophobicContact CE2-CD2 4.08Å; F106-Y113 AromaticContact CE2-CE2 3.43Å; F106-Y113 HydrophobicContact CE2-CE2 3.43Å; F106-Y113 VanDerWaalsContact CE2-CE2 3.43Å; F106-Y113 HydrophobicContact CZ-CE2 4.04Å
107E97.6Very high96.7Very high45 Ų4569.1 Ų69.121%0.2134%0.338CS..SBendtrans-77.6140.4156.8-59.489.817900110.3E40 A76 P77 A78 W148 I154E40-E107 WeakPolarHBondContact OE2-CA 3.38Å; A76-E107 WeakPolarHBondContact CB-OE1 3.35Å; P77-E107 HydrophobicContact CB-CG 4.25Å; P77-E107 HydrophobicContact CG-CG 4.19Å; A78-E107 HydrophobicContact CB-CG 4.08Å; A78-E107 WeakPolarHBondContact CB-OE1 3.18Å; A78-E107 PolarHBondContact N-OE1 3.24Å; E107-W148 HydrophobicContact CB-CZ2 4.19Å; E107-W148 HydrophobicContact CG-CH2 4.19Å; E107-W148 HydrophobicContact CG-CZ2 3.73Å; E107-I154 HydrophobicContact CB-CD1 3.85Å; E107-I154 HydrophobicContact CB-CG1 4.06Å; E107-I154 HydrophobicContact CB-CG2 4.27Å
108G97.8Very high96.7Very high3 Ų367 Ų673%0.03133%0.326CS..SBendtrans59.1-158.6-169.500000112.4R38 E40 E158R38-G108 PolarHBondContact N-O 2.98Å; E40-G108 PolarHBondContact OE2-N 3.36Å; G108-E158 WeakPolarHBondContact CA-OE1 3.2Å
109I97.8Very high96.7Very high9 Ų967.4 Ų67.45%0.04633%0.329CS..  trans-126.194.5176.3-43.5-178.6000109.8V37 R38 D114 E158V37-I109 HydrophobicContact CB-CG1 4.17Å; V37-I109 HydrophobicContact CB-CG2 4.32Å; V37-I109 HydrophobicContact CG1-CG2 4.29Å; V37-I109 HydrophobicContact CG2-CD1 4.32Å; V37-I109 HydrophobicContact CG2-CG1 4.07Å; V37-I109 HydrophobicContact CG2-CG2 4.31Å; R38-I109 HydrophobicContact CG-CD1 3.95Å; R38-I109 HydrophobicContact CG-CG1 3.43Å; R38-I109 VanDerWaalsContact CG-CG1 3.43Å; I109-D114 HydrophobicContact CG2-CB 4.2Å; I109-E158 PolarHBondContact N-OE1 2.87Å
110P96.9Very high96.7Very high39 Ų3971.1 Ų71.125%0.25335%0.352SS..  trans-73.1154178.528.1-31.9000111.7F106 Y113 D114F106-P110 HydrophobicContact CB-CG 3.94Å; F106-P110 HydrophobicContact CD1-CG 3.81Å; F106-P110 HydrophobicContact CD2-CG 4.11Å; F106-P110 HydrophobicContact CE1-CG 4.33Å; F106-P110 HydrophobicContact CG-CG 3.68Å; P110-Y113 HydrophobicContact CG-CD2 4.27Å; P110-Y113 WeakPolarHBondContact O-CB 3.18Å; P110-Y113 PolarHBondContact O-N 3Å; P110-D114 PolarHBondContact O-N 3.06Å
111P95.6Very high96.7Very high104 Ų10471.2 Ų71.268%0.67535%0.353SS*.THydrogen-bonded Turntrans-56139.3163.9-22.634.2000110.5
112P95.4Very high96.7Very high75 Ų7568.8 Ų68.849%0.48734%0.344SS..THydrogen-bonded Turncis-94.914.66.538.1-37000114.5K116P112-K116 WeakPolarHBondContact O-CG 3.08Å
113Y96.8Very high96.7Very high25 Ų2568.4 Ų68.410%0.09835%0.35CS..THydrogen-bonded Turntrans-82-16.3-174.8-56.3-68.8000113.5I9 V35 V37 F106 P110 K115 K116I9-Y113 HydrophobicContact CD1-CD1 3.73Å; I9-Y113 HydrophobicContact CD1-CE1 4.36Å; I9-Y113 HydrophobicContact CG1-CD1 3.92Å; I9-Y113 HydrophobicContact CG1-CE1 4.31Å; I9-Y113 HydrophobicContact CG2-CD1 4.39Å; V35-Y113 HydrophobicContact CB-CE1 4.07Å; V35-Y113 HydrophobicContact CG1-CD1 4.03Å; V35-Y113 HydrophobicContact CG1-CD2 4.25Å; V35-Y113 HydrophobicContact CG1-CE1 3.73Å; V35-Y113 HydrophobicContact CG1-CE2 3.94Å; V35-Y113 HydrophobicContact CG1-CG 4.28Å; V35-Y113 HydrophobicContact CG2-CE1 3.69Å; V37-Y113 HydrophobicContact CG1-CG 4.44Å; F106-Y113 HydrophobicContact CD2-CD2 4.33Å; F106-Y113 HydrophobicContact CD2-CE2 4.12Å; F106-Y113 HydrophobicContact CE2-CD2 4.08Å; F106-Y113 AromaticContact CE2-CE2 3.43Å; F106-Y113 HydrophobicContact CE2-CE2 3.43Å; F106-Y113 VanDerWaalsContact CE2-CE2 3.43Å; F106-Y113 HydrophobicContact CZ-CE2 4.04Å; P110-Y113 HydrophobicContact CG-CD2 4.27Å; P110-Y113 WeakPolarHBondContact O-CB 3.18Å; P110-Y113 PolarHBondContact O-N 3Å; Y113-K115 VanDerWaalsContact C-N 3.33Å; Y113-K115 PolarHBondContact O-N 3.46Å; Y113-K116 HydrophobicContact CD1-CD 4.49Å; Y113-K116 PolarHBondContact O-N 3.44Å
114D95Very high96.7Very high50 Ų5067.9 Ų67.927%0.26735%0.347SS..THydrogen-bonded Turntrans-62.1-38.1178.865-33.5000112.9I109 P110 R118 R161I109-D114 HydrophobicContact CG2-CB 4.2Å; P110-D114 PolarHBondContact O-N 3.06Å; D114-R118 PolarHBondContact O-NH1 3.42Å; D114-R161 HydrophobicContact CB-CG 4.3Å
115K94.4Very high96.7Very high190 Ų19064.3 Ų64.383%0.82633%0.333SS*.THydrogen-bonded Turntrans-87.8-6178.9-62.5176.7-173.4178.40114Y113Y113-K115 VanDerWaalsContact C-N 3.33Å; Y113-K115 PolarHBondContact O-N 3.46Å
116K94.6Very high96.7Very high98 Ų9866.6 Ų66.643%0.42634%0.34SS..SBendtrans-94.9146.7-177.2-67.1-178.9-176.1-176.90111.1I9 P112 Y113 R118I9-K116 HydrophobicContact CD1-CB 3.5Å; I9-K116 VanDerWaalsContact CD1-CB 3.5Å; I9-K116 HydrophobicContact CD1-CD 3.45Å; I9-K116 VanDerWaalsContact CD1-CD 3.45Å; I9-K116 HydrophobicContact CD1-CG 4.08Å; P112-K116 WeakPolarHBondContact O-CG 3.08Å; Y113-K116 HydrophobicContact CD1-CD 4.49Å; Y113-K116 PolarHBondContact O-N 3.44Å; K116-R118 PolarHBondContact O-N 3.24Å
117K94.8Very high96.5Very high183 Ų18367.2 Ų67.280%0.79636%0.356SS*.PPolyproline II helixtrans-64.5129.1172-176.3170.3179.7175.70108.7
118R96.4Very high96.5Very high71 Ų7170.3 Ų70.327%0.26837%0.373SS..PPolyproline II helixtrans-101.5140.6177.3-58.4175.1-72.1-92.7-0.9108.9I9 D11 V37 D114 K116I9-R118 HydrophobicContact CG2-CG 3.89Å; D11-R118 HydrophobicContact CB-CB 3.95Å; D11-R118 IonicContact OD2-NE 2.66Å; V37-R118 HydrophobicContact CG2-CG 4.32Å; D114-R118 PolarHBondContact O-NH1 3.42Å; K116-R118 PolarHBondContact O-N 3.24Å
119M96.9Very high96.5Very high99 Ų9976 Ų7649%0.48839%0.394SS..BIsolated β-bridgetrans-94.4155.3179-54.2-53.6-71.300109.7I9 I10 D11I9-M119 WeakPolarHBondContact O-CB 3.13Å; I9-M119 PolarHBondContact O-N 2.97Å; I10-M119 WeakPolarHBondContact CA-O 3.37Å; D11-M119 PolarHBondContact N-O 2.9Å
120V97.1Very high96.4Very high82 Ų8277.2 Ų77.250%0.49740%0.4SS..  trans-113.4149.7175.270.80000107.9P122 L125V120-P122 HydrophobicContact CG1-CG 4.45Å; V120-P122 WeakPolarHBondContact O-CD 3.44Å; V120-L125 HydrophobicContact CG2-CD1 3.1Å
121V97.2Very high96.4Very high19 Ų1982.8 Ų82.812%0.11542%0.421CS..  trans-110.694.4174.6-177.80000108.3I10 H15 L20 V23 S123 A124 L125I10-V121 HydrophobicContact CD1-CG2 4.08Å; I10-V121 HydrophobicContact CG2-CG2 4.03Å; H15-V121 PolarHBondContact CD2-O 3.48Å; H15-V121 PolarHBondContact NE2-N 3.21Å; H15-V121 PolarHBondContact NE2-O 3.12Å; L20-V121 HydrophobicContact CD1-CB 4.21Å; L20-V121 HydrophobicContact CD1-CG2 3.93Å; V23-V121 HydrophobicContact CB-CG1 4.29Å; V23-V121 HydrophobicContact CG1-CG1 3.94Å; V23-V121 HydrophobicContact CG2-CG1 4.2Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 WeakPolarHBondContact CG1-OG 3.45Å; V121-S123 PolarHBondContact O-N 3.29Å; V121-A124 HydrophobicContact CB-CB 4.29Å; V121-A124 HydrophobicContact CG1-CB 3.96Å; V121-A124 PolarHBondContact O-N 3.21Å; V121-L125 PolarHBondContact O-N 3.17Å
122P97.3Very high96.4Very high75 Ų7584 Ų8449%0.48743%0.429SS..G310 helixtrans-56.9-38.1-173.6-26.835.5000113.4V120 A124 L125 I128V120-P122 HydrophobicContact CG1-CG 4.45Å; V120-P122 WeakPolarHBondContact O-CD 3.44Å; P122-A124 PolarHBondContact O-N 3.13Å; P122-A124 VanDerWaalsContact O-N 3.09Å; P122-L125 WeakPolarHBondContact O-CB 3.13Å; P122-L125 PolarHBondContact O-N 3.14Å; P122-L125 VanDerWaalsContact O-N 3.1Å; P122-I128 HydrophobicContact CB-CD1 4.08Å
123S97Very high96.3Very high60 Ų6084.6 Ų84.642%0.4245%0.448SS..G310 helixtrans-64.9-13.6178.961.20000114.4R19 V121 R129R19-S123 PolarHBondContact NE-O 3.25Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 WeakPolarHBondContact CG1-OG 3.45Å; V121-S123 PolarHBondContact O-N 3.29Å; S123-R129 WeakPolarHBondContact O-CD 3.38Å; S123-R129 VanDerWaalsContact O-CG 3.24Å; S123-R129 WeakPolarHBondContact O-CG 3.38Å
124A97.7Very high96.4Very high0 Ų091.5 Ų91.50%047%0.474CS..G310 helixtrans-114.1-0.5177.400000113.1H15 L16 R19 L20 V121 P122H15-A124 CarbonylContact C-O 3.52Å; H15-A124 WeakPolarHBondContact CA-O 3.47Å; L16-A124 PolarHBondContact N-O 2.96Å; R19-A124 HydrophobicContact CB-CB 3.76Å; L20-A124 HydrophobicContact CB-CB 4.07Å; V121-A124 HydrophobicContact CB-CB 4.29Å; V121-A124 HydrophobicContact CG1-CB 3.96Å; V121-A124 PolarHBondContact O-N 3.21Å; P122-A124 PolarHBondContact O-N 3.13Å; P122-A124 VanDerWaalsContact O-N 3.09Å
125L97.7Very high96.5Very high38 Ų3896.8 Ų96.820%0.19949%0.494CS..BIsolated β-bridgetrans-73.5129.3-176.2-149.1122.2000111V120 V121 P122 A127 I128 R129V120-L125 HydrophobicContact CG2-CD1 3.1Å; V121-L125 PolarHBondContact O-N 3.17Å; P122-L125 WeakPolarHBondContact O-CB 3.13Å; P122-L125 PolarHBondContact O-N 3.14Å; P122-L125 VanDerWaalsContact O-N 3.1Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 HydrophobicContact CD2-CB 3.75Å; L125-A127 PolarHBondContact O-N 3.26Å; L125-I128 HydrophobicContact CB-CD1 4.18Å; L125-I128 HydrophobicContact CB-CG1 4.34Å; L125-I128 HydrophobicContact CD2-CD1 4.47Å; L125-I128 HydrophobicContact CD2-CG1 4.3Å; L125-I128 PolarHBondContact O-N 3.19Å; L125-R129 WeakPolarHBondContact O-CB 3.21Å; L125-R129 WeakPolarHBondContact O-CG 3.35Å; L125-R129 PolarHBondContact O-N 3.47Å
126R97.7Very high96.6Very high70 Ų7091.7 Ų91.726%0.26447%0.472SS..Hα-helixtrans-57-45.2-177.9179-160.663.7-154-0.6111.7G14 L16 N43 I128 R129 L130G14-R126 WeakPolarHBondContact O-CA 3.35Å; G14-R126 WeakPolarHBondContact O-CB 2.97Å; G14-R126 PolarHBondContact O-N 3.32Å; L16-R126 HydrophobicContact CD2-CB 4.23Å; L16-R126 HydrophobicContact CD2-CG 4.2Å; L16-R126 HydrophobicContact CG-CB 4.22Å; N43-R126 WeakPolarHBondContact ND2-CD 3.5Å; N43-R126 PolarHBondContact ND2-NH1 3.33Å; R126-I128 PolarHBondContact O-N 2.9Å; R126-R129 PolarHBondContact O-N 3Å; R126-L130 HydrophobicContact CG-CB 3.98Å; R126-L130 HydrophobicContact CG-CD2 3.87Å; R126-L130 VanDerWaalsContact O-CB 3.23Å; R126-L130 WeakPolarHBondContact O-CB 3.32Å; R126-L130 PolarHBondContact O-N 2.98Å
127A95.8Very high96.8Very high76 Ų7687.1 Ų87.163%0.62845%0.453SS*.Hα-helixtrans-61.1-29.4-176.200000112.9L125L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 HydrophobicContact CD2-CB 3.75Å; L125-A127 PolarHBondContact O-N 3.26Å
128I96.6Very high96.9Very high111 Ų11181 Ų8157%0.56943%0.43SS*.Hα-helixtrans-88.9-38.4178.3-57.3174.8000110.6P122 L125 R126P122-I128 HydrophobicContact CB-CD1 4.08Å; L125-I128 HydrophobicContact CB-CD1 4.18Å; L125-I128 HydrophobicContact CB-CG1 4.34Å; L125-I128 HydrophobicContact CD2-CD1 4.47Å; L125-I128 HydrophobicContact CD2-CG1 4.3Å; L125-I128 PolarHBondContact O-N 3.19Å; R126-I128 PolarHBondContact O-N 2.9Å
129R96.9Very high96.9Very high121 Ų12177.6 Ų77.646%0.45742%0.418SS..Hα-helixtrans-95.6-13.9-168.8-64.4-48.2-49.2-157.5-0.5115.4L16 R19 S123 L125 R126L16-R129 HydrophobicContact CD1-CB 3.93Å; R19-R129 VanDerWaalsContact CZ-CZ 3.45Å; R19-R129 VanDerWaalsContact NH2-NE 3.14Å; S123-R129 WeakPolarHBondContact O-CD 3.38Å; S123-R129 VanDerWaalsContact O-CG 3.24Å; S123-R129 WeakPolarHBondContact O-CG 3.38Å; L125-R129 WeakPolarHBondContact O-CB 3.21Å; L125-R129 WeakPolarHBondContact O-CG 3.35Å; L125-R129 PolarHBondContact O-N 3.47Å; R126-R129 PolarHBondContact O-N 3Å
130L96.2Very high97Very high35 Ų3573.4 Ų73.418%0.18340%0.398CS..SBendtrans-111131.4179.9-168.568.1000109.2R126 R134 F136R126-L130 HydrophobicContact CG-CB 3.98Å; R126-L130 HydrophobicContact CG-CD2 3.87Å; R126-L130 VanDerWaalsContact O-CB 3.23Å; R126-L130 WeakPolarHBondContact O-CB 3.32Å; R126-L130 PolarHBondContact O-N 2.98Å; L130-R134 HydrophobicContact CD1-CB 4.09Å; L130-R134 HydrophobicContact CD2-CB 4.17Å; L130-R134 HydrophobicContact CG-CB 3.96Å; L130-F136 HydrophobicContact CD2-CB 4.12Å; L130-F136 HydrophobicContact CD2-CD1 4.41Å
131K96.6Very high97Very high157 Ų15776.3 Ų76.368%0.68340%0.4SS*.  trans-57141.1175.1-68-173.6177.5-172.80110.2R134K131-R134 HydrophobicContact CB-CG 4.04Å; K131-R134 WeakPolarHBondContact O-CB 3.45Å; K131-R134 PolarHBondContact O-N 3.45Å
132P96.1Very high97Very high130 Ų13075.6 Ų75.684%0.84440%0.396SS*.THydrogen-bonded Turntrans-50.9149.5171.5-2634.8000112R134P132-R134 PolarHBondContact O-N 3.24Å; P132-R134 VanDerWaalsContact O-N 3.13Å
133G94.6Very high97Very high86 Ų8672 Ų7289%0.88737%0.372SS*.THydrogen-bonded Turntrans75.9-13.1-179.400000116.1K135G133-K135 PolarHBondContact O-N 2.76Å
134R97.1Very high97Very high170 Ų17072 Ų7264%0.64237%0.368SS*.  trans-74.9126.2178.1-65.5-65.5-178.4154.4-2.4111.6L130 K131 P132L130-R134 HydrophobicContact CD1-CB 4.09Å; L130-R134 HydrophobicContact CD2-CB 4.17Å; L130-R134 HydrophobicContact CG-CB 3.96Å; K131-R134 HydrophobicContact CB-CG 4.04Å; K131-R134 WeakPolarHBondContact O-CB 3.45Å; K131-R134 PolarHBondContact O-N 3.45Å; P132-R134 PolarHBondContact O-N 3.24Å; P132-R134 VanDerWaalsContact O-N 3.13Å
135K97.5Very high96.9Very high162 Ų16275 Ų7570%0.70438%0.383SS*.  trans-59.1140.1174.7-64.3-178.8177.6175.10110.8G46 G133G46-K135 CarbonylContact C-O 3.32Å; G46-K135 VanDerWaalsContact C-O 3.32Å; G46-K135 VanDerWaalsContact CA-O 3.28Å; G46-K135 WeakPolarHBondContact CA-O 3.33Å; G46-K135 PolarHBondContact N-O 3.17Å; G133-K135 PolarHBondContact O-N 2.76Å
136F97.9Very high96.9Very high82 Ų8273.7 Ų73.736%0.3638%0.377SS..EExtended strand (participates in β ladder)trans-133.6163.6172.662.4-89.6000109.1N43 I44 G46 L130 V138N43-F136 HydrophobicContact CB-CD2 4.27Å; I44-F136 CarbonylContact O-C 3.59Å; I44-F136 WeakPolarHBondContact O-CA 3.31Å; I44-F136 WeakPolarHBondContact O-CB 3.46Å; G46-F136 CarbonylContact O-C 3.25Å; G46-F136 VanDerWaalsContact O-C 3.25Å; G46-F136 WeakPolarHBondContact O-CA 3.5Å; L130-F136 HydrophobicContact CD2-CB 4.12Å; L130-F136 HydrophobicContact CD2-CD1 4.41Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å
137S97.4Very high96.8Very high3 Ų372.5 Ų72.52%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-118.6142.417464.50000110.9N43 I44 G46 N51N43-S137 CarbonylContact C-O 3.54Å; N43-S137 VanDerWaalsContact CA-O 3.31Å; N43-S137 WeakPolarHBondContact CA-O 3.41Å; I44-S137 PolarHBondContact N-O 2.94Å; I44-S137 PolarHBondContact O-N 3.48Å; G46-S137 PolarHBondContact O-N 3.4Å; N51-S137 PolarHBondContact ND2-OG 3.19Å
138V97.6Very high96.9Very high53 Ų5369.4 Ų69.432%0.32136%0.359SS..EExtended strand (participates in β ladder)trans-88135173.6-175.70000109.5E40 F136 S140 R141 L142E40-V138 WeakPolarHBondContact O-CG1 3.46Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.88Å; V138-R141 PolarHBondContact O-N 3.23Å; V138-L142 PolarHBondContact O-N 3.31Å
139L96.9Very high96.9Very high0 Ų072.9 Ų72.90%037%0.37CS..Hα-helixtrans-64-32.8-175.8-169.960.3000112.4L17 I42 I44 P77 I80 R141 L142 S143L17-L139 HydrophobicContact CD1-CD2 4.09Å; I42-L139 HydrophobicContact CB-CB 4.19Å; I42-L139 HydrophobicContact CB-CD2 4.12Å; I42-L139 HydrophobicContact CD1-CD2 4.46Å; I42-L139 HydrophobicContact CG2-CD2 4.42Å; I42-L139 WeakPolarHBondContact O-CB 3.28Å; I42-L139 PolarHBondContact O-N 3.22Å; I44-L139 HydrophobicContact CD1-CD1 4.13Å; P77-L139 HydrophobicContact CB-CD2 3.81Å; P77-L139 HydrophobicContact CB-CG 3.89Å; P77-L139 WeakPolarHBondContact O-CD2 3.37Å; I80-L139 HydrophobicContact CB-CD1 4.48Å; I80-L139 HydrophobicContact CB-CD2 4.48Å; I80-L139 HydrophobicContact CD1-CD1 4.09Å; I80-L139 HydrophobicContact CG2-CD1 4.05Å; I80-L139 HydrophobicContact CG2-CD2 4.47Å; L139-R141 PolarHBondContact O-N 2.99Å; L139-L142 HydrophobicContact CD1-CD2 4.15Å; L139-L142 PolarHBondContact O-N 3.23Å; L139-S143 VanDerWaalsContact O-CB 3.23Å; L139-S143 WeakPolarHBondContact O-CB 3.33Å; L139-S143 PolarHBondContact O-N 3.46Å; L139-S143 PolarHBondContact O-OG 3.29Å
140S97.4Very high96.9Very high12 Ų1273.9 Ų73.98%0.08438%0.375CS..Hα-helixtrans-53.2-52.2172.2179.20000112.3E40 V138 L142 S143 N144E40-S140 WeakPolarHBondContact O-CB 3.45Å; E40-S140 PolarHBondContact O-N 2.91Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.88Å; S140-L142 PolarHBondContact O-N 3.35Å; S140-S143 PolarHBondContact O-N 2.81Å; S140-N144 WeakPolarHBondContact O-CB 3.45Å; S140-N144 PolarHBondContact O-N 3.37Å
141R97.1Very high96.9Very high143 Ų14374.5 Ų74.554%0.5438%0.376SS..Hα-helixtrans-63.2-44.3-180-172-174.8172.4170.70.5111.1F48 V138 L139 N144 D145F48-R141 HydrophobicContact CD2-CB 4.46Å; F48-R141 HydrophobicContact CD2-CG 4.09Å; F48-R141 HydrophobicContact CE1-CG 4.48Å; F48-R141 HydrophobicContact CE2-CB 3.95Å; F48-R141 HydrophobicContact CE2-CG 3.49Å; F48-R141 VanDerWaalsContact CE2-CG 3.49Å; F48-R141 HydrophobicContact CZ-CG 3.72Å; V138-R141 PolarHBondContact O-N 3.23Å; L139-R141 PolarHBondContact O-N 2.99Å; R141-N144 PolarHBondContact O-N 3.11Å; R141-D145 PolarHBondContact O-N 3.23Å; R141-D145 VanDerWaalsContact O-N 3.17Å
142L97.2Very high97Very high3 Ų372.4 Ų72.42%0.01637%0.372CS..Hα-helixtrans-60.7-48.1178.3177.262.8000110.9I44 F48 K52 Y55 V138 L139 S140 N144 D145 V146I44-L142 HydrophobicContact CD1-CD2 3.94Å; F48-L142 HydrophobicContact CE2-CB 4.25Å; K52-L142 HydrophobicContact CB-CD1 4.14Å; Y55-L142 HydrophobicContact CD2-CD2 4.38Å; V138-L142 PolarHBondContact O-N 3.31Å; L139-L142 HydrophobicContact CD1-CD2 4.15Å; L139-L142 PolarHBondContact O-N 3.23Å; S140-L142 PolarHBondContact O-N 3.35Å; L142-N144 PolarHBondContact O-N 3.3Å; L142-D145 PolarHBondContact O-N 3.4Å; L142-V146 HydrophobicContact CD1-CG1 4.27Å; L142-V146 WeakPolarHBondContact O-CG1 3.47Å; L142-V146 WeakPolarHBondContact O-CG2 3.24Å; L142-V146 PolarHBondContact O-N 2.6Å
143S97.7Very high97Very high0 Ų070.7 Ų70.70%036%0.355CS..Hα-helixtrans-61.7-43.6-177.8-60.30000111.5R75 P77 I80 L139 S140 V146 G147 W148R75-S143 WeakPolarHBondContact O-CB 3.3Å; R75-S143 PolarHBondContact O-OG 2.99Å; P77-S143 WeakPolarHBondContact CG-OG 3.42Å; I80-S143 WeakPolarHBondContact CD1-OG 3.41Å; L139-S143 VanDerWaalsContact O-CB 3.23Å; L139-S143 WeakPolarHBondContact O-CB 3.33Å; L139-S143 PolarHBondContact O-N 3.46Å; L139-S143 PolarHBondContact O-OG 3.29Å; S140-S143 PolarHBondContact O-N 2.81Å; S143-V146 VanDerWaalsContact O-CG2 3.27Å; S143-V146 WeakPolarHBondContact O-CG2 3.41Å; S143-V146 PolarHBondContact O-N 3.21Å; S143-G147 PolarHBondContact O-N 3Å; S143-W148 VanDerWaalsContact C-CB 3.45Å; S143-W148 WeakPolarHBondContact O-CB 3.31Å; S143-W148 PolarHBondContact O-N 3.05Å
144N97.6Very high97.2Very high61 Ų6167.6 Ų67.633%0.32632%0.318SS..Hα-helixtrans-59.3-50.2176.8-177.181.4000112S140 R141 L142 V146 G147 K151S140-N144 WeakPolarHBondContact O-CB 3.45Å; S140-N144 PolarHBondContact O-N 3.37Å; R141-N144 PolarHBondContact O-N 3.11Å; L142-N144 PolarHBondContact O-N 3.3Å; N144-V146 PolarHBondContact O-N 3.47Å; N144-G147 PolarHBondContact O-N 3.42Å; N144-G147 VanDerWaalsContact O-N 3.08Å; N144-K151 HydrophobicContact CB-CB 4.4Å; N144-K151 HydrophobicContact CB-CD 3.73Å
145D96.5Very high97.2Very high61 Ų6163.5 Ų63.533%0.32631%0.306SS..Hα-helixtrans-63.2-23.3179.8-84.237.3000113.7F48 K52 R141 L142F48-D145 WeakPolarHBondContact CE1-OD2 3.27Å; F48-D145 HydrophobicContact CZ-CB 4.22Å; F48-D145 VanDerWaalsContact CZ-OD2 3.26Å; F48-D145 WeakPolarHBondContact CZ-OD2 3.48Å; K52-D145 HydrophobicContact CD-CB 4.39Å; K52-D145 IonicContact NZ-OD2 2.74Å; K52-D145 PolarHBondContact NZ-OD2 3.33Å; R141-D145 PolarHBondContact O-N 3.23Å; R141-D145 VanDerWaalsContact O-N 3.17Å; L142-D145 PolarHBondContact O-N 3.4Å
146V95.7Very high97.2Very high12 Ų1263 Ų637%0.07330%0.304CS..THydrogen-bonded Turntrans-98.66.4178.6-55.70000113.1Y55 L59 R75 L142 S143 N144Y55-V146 HydrophobicContact CD1-CB 3.9Å; Y55-V146 HydrophobicContact CD1-CG1 3.63Å; Y55-V146 HydrophobicContact CD1-CG2 3.85Å; Y55-V146 HydrophobicContact CE1-CB 4.19Å; Y55-V146 HydrophobicContact CE1-CG1 4.39Å; Y55-V146 HydrophobicContact CE1-CG2 3.76Å; Y55-V146 HydrophobicContact CG-CG1 4.25Å; L59-V146 HydrophobicContact CD1-CB 4.5Å; R75-V146 WeakPolarHBondContact CD-O 3.49Å; R75-V146 PolarHBondContact NE-O 3.26Å; R75-V146 PolarHBondContact NH1-O 3.33Å; R75-V146 VanDerWaalsContact NH1-O 3.09Å; L142-V146 HydrophobicContact CD1-CG1 4.27Å; L142-V146 WeakPolarHBondContact O-CG1 3.47Å; L142-V146 WeakPolarHBondContact O-CG2 3.24Å; L142-V146 PolarHBondContact O-N 2.6Å; S143-V146 VanDerWaalsContact O-CG2 3.27Å; S143-V146 WeakPolarHBondContact O-CG2 3.41Å; S143-V146 PolarHBondContact O-N 3.21Å; N144-V146 PolarHBondContact O-N 3.47Å
147G96.2Very high97.2Very high45 Ų4564 Ų6446%0.46431%0.311SS..THydrogen-bonded Turntrans111.816.717100000116.3S143 N144 K149S143-G147 PolarHBondContact O-N 3Å; N144-G147 PolarHBondContact O-N 3.42Å; N144-G147 VanDerWaalsContact O-N 3.08Å; G147-K149 PolarHBondContact O-N 3.34Å
148W97.9Very high97.2Very high10 Ų1064.4 Ų64.44%0.03831%0.312CS..  trans-77110.3172.1-178.648.4000111.4E40 R75 P77 E107 S143 Y150 K151 I154E40-W148 HydrophobicContact CB-CH2 4.1Å; E40-W148 HydrophobicContact CB-CZ3 4.34Å; R75-W148 HydrophobicContact CB-CB 4.11Å; P77-W148 VanDerWaalsContact CD-CD2 3.4Å; P77-W148 VanDerWaalsContact CD-CE2 3.45Å; P77-W148 HydrophobicContact CG-CD2 4.09Å; P77-W148 HydrophobicContact CG-CE3 3.76Å; P77-W148 HydrophobicContact CG-CH2 3.81Å; P77-W148 HydrophobicContact CG-CZ2 4.13Å; P77-W148 HydrophobicContact CG-CZ3 3.61Å; E107-W148 HydrophobicContact CB-CZ2 4.19Å; E107-W148 HydrophobicContact CG-CH2 4.19Å; E107-W148 HydrophobicContact CG-CZ2 3.73Å; S143-W148 VanDerWaalsContact C-CB 3.45Å; S143-W148 WeakPolarHBondContact O-CB 3.31Å; S143-W148 PolarHBondContact O-N 3.05Å; W148-Y150 AromaticContact NE1-CD2 3.73Å; W148-Y150 PolarHBondContact O-N 3.49Å; W148-K151 HydrophobicContact CE3-CB 3.95Å; W148-K151 HydrophobicContact CZ3-CB 3.84Å; W148-K151 HydrophobicContact CZ3-CG 4.25Å; W148-I154 HydrophobicContact CH2-CB 4.23Å; W148-I154 HydrophobicContact CH2-CG1 4.05Å; W148-I154 HydrophobicContact CZ2-CB 4.49Å; W148-I154 HydrophobicContact CZ2-CG1 3.81Å
149K97.1Very high97.2Very high184 Ų18466.5 Ų66.580%0.832%0.322SS*.THydrogen-bonded Turntrans-77.2-16.4-172.4-58.3-176.7179.4-175.80115.2G147G147-K149 PolarHBondContact O-N 3.34Å
150Y97Very high97.2Very high142 Ų14274.4 Ų74.456%0.55735%0.352SS*.THydrogen-bonded Turntrans-97.78.8-166.5-54.2-63.2000115W148 N152 I153 I154W148-Y150 AromaticContact NE1-CD2 3.73Å; W148-Y150 PolarHBondContact O-N 3.49Å; Y150-N152 PolarHBondContact O-N 2.99Å; Y150-I153 HydrophobicContact CD1-CD1 3.98Å; Y150-I153 PolarHBondContact O-N 3.14Å; Y150-I154 WeakPolarHBondContact O-CG1 3.43Å; Y150-I154 PolarHBondContact O-N 3.21Å
151K96.7Very high97.2Very high49 Ų4975.4 Ų75.421%0.21335%0.354CS..Hα-helixtrans-51.5-54.2-178.7179.8-174.9166-1600112N144 W148 I153 I154 E155N144-K151 HydrophobicContact CB-CB 4.4Å; N144-K151 HydrophobicContact CB-CD 3.73Å; W148-K151 HydrophobicContact CE3-CB 3.95Å; W148-K151 HydrophobicContact CZ3-CB 3.84Å; W148-K151 HydrophobicContact CZ3-CG 4.25Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 3.31Å; K151-I154 PolarHBondContact O-N 2.98Å; K151-E155 WeakPolarHBondContact CE-OE1 3.45Å; K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 2.87Å
152N97.4Very high97.2Very high113 Ų11373.3 Ų73.360%0.60435%0.349SS*.Hα-helixtrans-64.8-37-175.7-61.5-10.4000112.2Y150 E155 K156Y150-N152 PolarHBondContact O-N 2.99Å; N152-E155 PolarHBondContact O-N 3.4Å; N152-K156 WeakPolarHBondContact O-CB 3.19Å; N152-K156 PolarHBondContact O-N 3.44Å
153I97.5Very high97.2Very high93 Ų9376 Ų7648%0.47737%0.371SS..Hα-helixtrans-66.2-46.4178.3-59.3-179.1000110.3Y150 K151 K156 M157Y150-I153 HydrophobicContact CD1-CD1 3.98Å; Y150-I153 PolarHBondContact O-N 3.14Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 3.31Å; I153-K156 PolarHBondContact O-N 2.93Å; I153-M157 HydrophobicContact CG2-CE 3.88Å; I153-M157 HydrophobicContact CG2-SD 4.49Å; I153-M157 WeakPolarHBondContact O-CG 3.45Å; I153-M157 PolarHBondContact O-N 3.35Å
154I97.5Very high97.2Very high21 Ų2183 Ų8311%0.10840%0.402CS..Hα-helixtrans-63.8-42.1177.4-65.6-66.3000111E40 E107 W148 Y150 K151 K156 M157 E158E40-I154 HydrophobicContact CG-CG2 4.32Å; E107-I154 HydrophobicContact CB-CD1 3.85Å; E107-I154 HydrophobicContact CB-CG1 4.06Å; E107-I154 HydrophobicContact CB-CG2 4.27Å; W148-I154 HydrophobicContact CH2-CB 4.23Å; W148-I154 HydrophobicContact CH2-CG1 4.05Å; W148-I154 HydrophobicContact CZ2-CB 4.49Å; W148-I154 HydrophobicContact CZ2-CG1 3.81Å; Y150-I154 WeakPolarHBondContact O-CG1 3.43Å; Y150-I154 PolarHBondContact O-N 3.21Å; K151-I154 PolarHBondContact O-N 2.98Å; I154-K156 PolarHBondContact O-N 2.98Å; I154-M157 HydrophobicContact CD1-CE 3.65Å; I154-M157 PolarHBondContact O-N 3.22Å; I154-E158 HydrophobicContact CG2-CG 4.39Å; I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 PolarHBondContact O-N 3.47Å
155E97.3Very high97.1Very high85 Ų8582 Ų8240%0.39740%0.402SS..Hα-helixtrans-59.9-45176.4-76.5176.8179.300111.8K151 N152 M157 E158 N159K151-E155 WeakPolarHBondContact CE-OE1 3.45Å; K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 2.87Å; N152-E155 PolarHBondContact O-N 3.4Å; E155-M157 PolarHBondContact O-N 3.2Å; E155-E158 PolarHBondContact O-N 3.01Å; E155-N159 WeakPolarHBondContact O-CB 3.37Å; E155-N159 PolarHBondContact O-N 3.13Å; E155-N159 PolarHBondContact O-ND2 3.48Å
156K98Very high97.1Very high150 Ų15082 Ų8265%0.65241%0.41SS*.Hα-helixtrans-59.5-46.2174.6-175177.8-178.4175.20112N152 I153 I154 N159 R160N152-K156 WeakPolarHBondContact O-CB 3.19Å; N152-K156 PolarHBondContact O-N 3.44Å; I153-K156 PolarHBondContact O-N 2.93Å; I154-K156 PolarHBondContact O-N 2.98Å; K156-N159 PolarHBondContact O-N 2.92Å; K156-R160 PolarHBondContact O-N 3.39Å; K156-R160 VanDerWaalsContact O-N 3.08Å
157M97.4Very high97.2Very high103 Ų10386.5 Ų86.551%0.50744%0.437SS..Hα-helixtrans-67.1-41.5-179.9-70.7-167.6-62.300112.5I153 I154 E155 N159 R160 R161I153-M157 HydrophobicContact CG2-CE 3.88Å; I153-M157 HydrophobicContact CG2-SD 4.49Å; I153-M157 WeakPolarHBondContact O-CG 3.45Å; I153-M157 PolarHBondContact O-N 3.35Å; I154-M157 HydrophobicContact CD1-CE 3.65Å; I154-M157 PolarHBondContact O-N 3.22Å; E155-M157 PolarHBondContact O-N 3.2Å; M157-N159 VanDerWaalsContact C-N 3.35Å; M157-N159 PolarHBondContact O-N 3.5Å; M157-R160 PolarHBondContact O-N 2.89Å; M157-R161 WeakPolarHBondContact O-CB 3.32Å; M157-R161 PolarHBondContact O-N 2.86Å
158E97.5Very high97.2Very high12 Ų1291.8 Ų91.86%0.05644%0.443CS..Hα-helixtrans-65.1-37.3175.9-84.7-65.6105.800112R38 G108 I109 I154 E155 R161 K162R38-E158 IonicContact NE-OE2 3.99Å; G108-E158 WeakPolarHBondContact CA-OE1 3.2Å; I109-E158 PolarHBondContact N-OE1 2.87Å; I154-E158 HydrophobicContact CG2-CG 4.39Å; I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 PolarHBondContact O-N 3.47Å; E155-E158 PolarHBondContact O-N 3.01Å; E158-R161 PolarHBondContact O-N 3.28Å; E158-R161 WeakPolarHBondContact OE1-CD 3.5Å; E158-R161 IonicContact OE1-CZ 3.39Å; E158-R161 IonicContact OE1-NE 3.17Å; E158-R161 PolarHBondContact OE1-NE 3.2Å; E158-R161 IonicContact OE1-NH2 2.76Å; E158-R161 IonicContact OE2-CZ 3.7Å; E158-R161 IonicContact OE2-NE 3.93Å; E158-R161 PolarHBondContact OE2-NE 3.34Å; E158-R161 VanDerWaalsContact OE2-NE 3.17Å; E158-R161 IonicContact OE2-NH2 3.83Å; E158-R161 PolarHBondContact OE2-NH2 3.1Å; E158-K162 WeakPolarHBondContact O-CB 3.31Å; E158-K162 VanDerWaalsContact O-CG 3.26Å; E158-K162 WeakPolarHBondContact O-CG 2.99Å; E158-K162 PolarHBondContact O-N 3.09Å
159N97.8Very high97.2Very high97 Ų9798.3 Ų98.352%0.51947%0.469SS..Hα-helixtrans-64.2-44.9174.8-71.7-16.8000111.4E155 K156 M157 R161 K162 A163E155-N159 WeakPolarHBondContact O-CB 3.37Å; E155-N159 PolarHBondContact O-N 3.13Å; E155-N159 PolarHBondContact O-ND2 3.48Å; K156-N159 PolarHBondContact O-N 2.92Å; M157-N159 VanDerWaalsContact C-N 3.35Å; M157-N159 PolarHBondContact O-N 3.5Å; N159-R161 VanDerWaalsContact C-N 3.31Å; N159-R161 PolarHBondContact O-N 2.83Å; N159-K162 PolarHBondContact O-N 3.42Å; N159-A163 PolarHBondContact O-N 3.31Å
160R97.7Very high97.2Very high167 Ų16796.7 Ų96.763%0.6346%0.462SS*.Hα-helixtrans-59.1-41.9172.7-176.6-178-76.8-178-6.7111.7K156 M157 A163 K164K156-R160 PolarHBondContact O-N 3.39Å; K156-R160 VanDerWaalsContact O-N 3.08Å; M157-R160 PolarHBondContact O-N 2.89Å; R160-A163 PolarHBondContact O-N 2.56Å; R160-K164 PolarHBondContact O-N 3.42Å
161R97.2Very high97.2Very high32 Ų3298.3 Ų98.312%0.12147%0.467CS..Hα-helixtrans-64.2-44.5176.7-173-162.661.469.3-0.2111.9D114 M157 E158 N159 A163 K164 A165D114-R161 HydrophobicContact CB-CG 4.3Å; M157-R161 WeakPolarHBondContact O-CB 3.32Å; M157-R161 PolarHBondContact O-N 2.86Å; E158-R161 PolarHBondContact O-N 3.28Å; E158-R161 WeakPolarHBondContact OE1-CD 3.5Å; E158-R161 IonicContact OE1-CZ 3.39Å; E158-R161 IonicContact OE1-NE 3.17Å; E158-R161 PolarHBondContact OE1-NE 3.2Å; E158-R161 IonicContact OE1-NH2 2.76Å; E158-R161 IonicContact OE2-CZ 3.7Å; E158-R161 IonicContact OE2-NE 3.93Å; E158-R161 PolarHBondContact OE2-NE 3.34Å; E158-R161 VanDerWaalsContact OE2-NE 3.17Å; E158-R161 IonicContact OE2-NH2 3.83Å; E158-R161 PolarHBondContact OE2-NH2 3.1Å; N159-R161 VanDerWaalsContact C-N 3.31Å; N159-R161 PolarHBondContact O-N 2.83Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-K164 PolarHBondContact O-N 2.72Å; R161-A165 WeakPolarHBondContact O-CB 3.48Å; R161-A165 PolarHBondContact O-N 2.92Å
162K96.9Very high97.1Very high100 Ų100101.5 Ų101.544%0.43548%0.481SS..Hα-helixtrans-62.2-41177.8-73.3170.1-171.4170.20111.6E158 N159 A165 A166E158-K162 WeakPolarHBondContact O-CB 3.31Å; E158-K162 VanDerWaalsContact O-CG 3.26Å; E158-K162 WeakPolarHBondContact O-CG 2.99Å; E158-K162 PolarHBondContact O-N 3.09Å; N159-K162 PolarHBondContact O-N 3.42Å; K162-A165 PolarHBondContact O-N 2.8Å; K162-A166 WeakPolarHBondContact O-CB 3.27Å; K162-A166 PolarHBondContact O-N 3.25Å
163A97.6Very high97Very high60 Ų60102.7 Ų102.750%0.49648%0.481SS..Hα-helixtrans-58.7-49.2174.900000111.7N159 R160 R161 A165 A166 V167N159-A163 PolarHBondContact O-N 3.31Å; R160-A163 PolarHBondContact O-N 2.56Å; R161-A163 VanDerWaalsContact C-N 3.34Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.22Å; A163-A166 PolarHBondContact O-N 3.08Å; A163-V167 PolarHBondContact O-N 3.28Å
164K96.7Very high96.9Very high147 Ų147103 Ų10364%0.63948%0.483SS*.Hα-helixtrans-60.2-41.4174.7-68.9-178.2178.3-1730112.5R160 R161 A166 V167 W168R160-K164 PolarHBondContact O-N 3.42Å; R161-K164 PolarHBondContact O-N 2.72Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-A166 PolarHBondContact O-N 2.8Å; K164-V167 PolarHBondContact O-N 2.81Å; K164-W168 PolarHBondContact O-N 3.48Å
165A95.9Very high96.8Very high40 Ų40106.9 Ų106.933%0.33150%0.503SS..Hα-helixtrans-65.4-35.6178.300000112.5R161 K162 A163 W168 Y169R161-A165 WeakPolarHBondContact O-CB 3.48Å; R161-A165 PolarHBondContact O-N 2.92Å; K162-A165 PolarHBondContact O-N 2.8Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.22Å; A165-W168 PolarHBondContact O-N 2.85Å; A165-Y169 WeakPolarHBondContact O-CB 3.37Å; A165-Y169 PolarHBondContact O-N 3.35Å
166A97.1Very high96.6Very high60 Ų60108.8 Ų108.850%0.49651%0.51SS..Hα-helixtrans-65.5-44.1176.200000111.6K162 A163 K164 Y169 K170K162-A166 WeakPolarHBondContact O-CB 3.27Å; K162-A166 PolarHBondContact O-N 3.25Å; A163-A166 PolarHBondContact O-N 3.08Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-A166 PolarHBondContact O-N 2.8Å; A166-Y169 PolarHBondContact O-N 2.84Å; A166-K170 PolarHBondContact O-N 3.47Å
167V97.6Very high96.4Very high106 Ų106108.1 Ų108.164%0.64251%0.507SS*.Hα-helixtrans-59.6-48174.3175.50000110.8A163 K164 Y169 K170 R171A163-V167 PolarHBondContact O-N 3.28Å; K164-V167 PolarHBondContact O-N 2.81Å; V167-Y169 VanDerWaalsContact C-N 3.33Å; V167-Y169 PolarHBondContact O-N 3.17Å; V167-K170 PolarHBondContact O-N 3.34Å; V167-R171 PolarHBondContact O-N 3.27Å
168W96.3Very high96.3Very high156 Ų156106.8 Ų106.859%0.59151%0.506SS*.Hα-helixtrans-59.7-43176.5173.284.5000112.2K164 A165 R171 K172K164-W168 PolarHBondContact O-N 3.48Å; A165-W168 PolarHBondContact O-N 2.85Å; W168-R171 PolarHBondContact O-N 2.98Å; W168-K172 HydrophobicContact CH2-CD 3.54Å; W168-K172 HydrophobicContact CZ2-CD 3.71Å; W168-K172 HydrophobicContact CZ3-CD 4.08Å; W168-K172 WeakPolarHBondContact O-CB 3.37Å; W168-K172 PolarHBondContact O-N 3.47Å
169Y96.3Very high96Very high147 Ų147109 Ų10958%0.57652%0.523SS*.Hα-helixtrans-66.8-40.5179.9-176.4-111.5000112.2A165 A166 V167 K172 K173A165-Y169 WeakPolarHBondContact O-CB 3.37Å; A165-Y169 PolarHBondContact O-N 3.35Å; A166-Y169 PolarHBondContact O-N 2.84Å; V167-Y169 VanDerWaalsContact C-N 3.33Å; V167-Y169 PolarHBondContact O-N 3.17Å; Y169-K172 PolarHBondContact O-N 3.35Å; Y169-K173 PolarHBondContact O-N 3.14Å
170K97.3Very high95.7Very high151 Ų151108.9 Ų108.966%0.65752%0.52SS*.Hα-helixtrans-59.1-48.8173.7-172.6177-180-179.50110.6A166 V167 K172 K173 L174A166-K170 PolarHBondContact O-N 3.47Å; V167-K170 PolarHBondContact O-N 3.34Å; K170-K172 PolarHBondContact O-N 2.86Å; K170-K173 PolarHBondContact O-N 3.07Å; K170-L174 WeakPolarHBondContact O-CG 3.23Å; K170-L174 PolarHBondContact O-N 3.12Å
171R96.8Very high95.5Very high176 Ų176103.3 Ų103.366%0.66451%0.509SS*.Hα-helixtrans-58.5-45.6174.7-176.5177.3178.6-179.9-0.7111.7V167 W168 K173 L174 L175V167-R171 PolarHBondContact O-N 3.27Å; W168-R171 PolarHBondContact O-N 2.98Å; R171-K173 PolarHBondContact O-N 3.5Å; R171-L174 PolarHBondContact O-N 3.24Å; R171-L175 HydrophobicContact CG-CD1 4.03Å; R171-L175 HydrophobicContact CG-CG 4.44Å; R171-L175 WeakPolarHBondContact O-CG 3.42Å; R171-L175 PolarHBondContact O-N 3.1Å
172K95.5Very high95.3Very high116 Ų116104.5 Ų104.550%0.50453%0.526SS..Hα-helixtrans-61.1-41.4178.6-176.2176.4179.1179.30112.4W168 Y169 K170 L175 K176W168-K172 HydrophobicContact CH2-CD 3.54Å; W168-K172 HydrophobicContact CZ2-CD 3.71Å; W168-K172 HydrophobicContact CZ3-CD 4.08Å; W168-K172 WeakPolarHBondContact O-CB 3.37Å; W168-K172 PolarHBondContact O-N 3.47Å; Y169-K172 PolarHBondContact O-N 3.35Å; K170-K172 PolarHBondContact O-N 2.86Å; K172-L175 PolarHBondContact O-N 2.87Å; K172-K176 PolarHBondContact O-N 3.4Å; K172-K176 VanDerWaalsContact O-N 3.17Å
173K95.8Very high94.9Very high138 Ų138107.9 Ų107.960%0.654%0.536SS*.Hα-helixtrans-65.2-40.6177.2-171178.9179.5-177.20111.3Y169 K170 R171 K176Y169-K173 PolarHBondContact O-N 3.14Å; K170-K173 PolarHBondContact O-N 3.07Å; R171-K173 PolarHBondContact O-N 3.5Å; K173-K176 PolarHBondContact O-N 3.2Å
174L95.5Very high94.6Very high99 Ų99107.4 Ų107.452%0.51854%0.537SS..Hα-helixtrans-64-43.8175.9-69.3172.6000111.9K170 R171 K176 K177 P178K170-L174 WeakPolarHBondContact O-CG 3.23Å; K170-L174 PolarHBondContact O-N 3.12Å; R171-L174 PolarHBondContact O-N 3.24Å; L174-K176 PolarHBondContact O-N 2.91Å; L174-K177 PolarHBondContact O-N 3.09Å; L174-P178 WeakPolarHBondContact O-CD 3.34Å
175L94.3Very high94.4Very high103 Ų103111 Ų11154%0.53955%0.546SS..Hα-helixtrans-66.9-21.7178-70.1172.5000113.9R171 K172 P178R171-L175 HydrophobicContact CG-CD1 4.03Å; R171-L175 HydrophobicContact CG-CG 4.44Å; R171-L175 WeakPolarHBondContact O-CG 3.42Å; R171-L175 PolarHBondContact O-N 3.1Å; K172-L175 PolarHBondContact O-N 2.87Å; L175-P178 WeakPolarHBondContact O-CD 3.35Å; L175-P178 WeakPolarHBondContact O-CG 3.12Å
176K94.2Very high94.3Very high125 Ų125110.9 Ų110.954%0.54355%0.545SS..Hα-helixtrans-68.3-36.8176.4-160.2-174.7-174-127.60112K172 K173 L174 S179 E180K172-K176 PolarHBondContact O-N 3.4Å; K172-K176 VanDerWaalsContact O-N 3.17Å; K173-K176 PolarHBondContact O-N 3.2Å; L174-K176 PolarHBondContact O-N 2.91Å; K176-S179 WeakPolarHBondContact O-CB 3.42Å; K176-S179 PolarHBondContact O-N 2.87Å; K176-E180 WeakPolarHBondContact CD-OE1 3.02Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 HydrophobicContact CG-CG 4.39Å; K176-E180 IonicContact NZ-OE1 3.98Å; K176-E180 PolarHBondContact NZ-OE1 3.19Å; K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 3.25Å
177K93.9Very high93.9Very high135 Ų135114.8 Ų114.859%0.58755%0.551SS**Hα-helixtrans-57.9-53.6-178.7-65.6-174.1174-169.60114.1L174 S179 E180 A181L174-K177 PolarHBondContact O-N 3.09Å; K177-S179 VanDerWaalsContact C-N 3.27Å; K177-S179 PolarHBondContact O-N 2.85Å; K177-E180 PolarHBondContact O-N 2.86Å; K177-A181 PolarHBondContact O-N 3.18Å
178P93.9Very high93.6Very high75 Ų75118.1 Ų118.149%0.48756%0.56SS.*Hα-helixtrans-65.6-32.2178.825.6-34.1000111.9L174 L175 A181 A182L174-P178 WeakPolarHBondContact O-CD 3.34Å; L175-P178 WeakPolarHBondContact O-CD 3.35Å; L175-P178 WeakPolarHBondContact O-CG 3.12Å; P178-A181 PolarHBondContact O-N 3.36Å; P178-A182 VanDerWaalsContact O-CB 3.26Å; P178-A182 WeakPolarHBondContact O-CB 3.23Å; P178-A182 PolarHBondContact O-N 3.37Å
179S91.2Very high93.5Very high59 Ų59114.1 Ų114.141%0.41356%0.56SS.*Hα-helixtrans-65.3-39.6174.2179.40000112.3K176 K177 R183K176-S179 WeakPolarHBondContact O-CB 3.42Å; K176-S179 PolarHBondContact O-N 2.87Å; K177-S179 VanDerWaalsContact C-N 3.27Å; K177-S179 PolarHBondContact O-N 2.85Å; S179-R183 WeakPolarHBondContact O-CG 3.41Å; S179-R183 PolarHBondContact O-N 3.04Å; S179-R183 VanDerWaalsContact O-N 3.07Å
180E91.8Very high93.3Very high95 Ų95109.5 Ų109.544%0.44455%0.545SS..Hα-helixtrans-68.2-42.8174.4-73.7170.2171.700111.3K176 K177 A182 R183 G184K176-E180 WeakPolarHBondContact CD-OE1 3.02Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 HydrophobicContact CG-CG 4.39Å; K176-E180 IonicContact NZ-OE1 3.98Å; K176-E180 PolarHBondContact NZ-OE1 3.19Å; K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 3.25Å; K177-E180 PolarHBondContact O-N 2.86Å; E180-A182 PolarHBondContact O-N 2.77Å; E180-R183 PolarHBondContact O-N 3.34Å; E180-G184 PolarHBondContact O-N 3.14Å
181A93.2Very high93Very high49 Ų49104.5 Ų104.541%0.40553%0.532SS..Hα-helixtrans-62.2-42.1175.400000112.2K177 P178 G184 R185K177-A181 PolarHBondContact O-N 3.18Å; P178-A181 PolarHBondContact O-N 3.36Å; A181-G184 PolarHBondContact O-N 3.4Å; A181-R185 WeakPolarHBondContact O-CG 3.17Å; A181-R185 PolarHBondContact O-N 3.46Å
182A92.7Very high92.9Very high57 Ų5799.8 Ų99.847%0.47152%0.524SS..Hα-helixtrans-63.2-42.117600000111.8P178 E180 G184 R185 A186P178-A182 VanDerWaalsContact O-CB 3.26Å; P178-A182 WeakPolarHBondContact O-CB 3.23Å; P178-A182 PolarHBondContact O-N 3.37Å; E180-A182 PolarHBondContact O-N 2.77Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.45Å; A182-R185 PolarHBondContact O-N 3.08Å; A182-A186 WeakPolarHBondContact O-CB 3.26Å; A182-A186 PolarHBondContact O-N 3.33Å
183R89.4Confident92.8Very high172 Ų172101.8 Ų101.865%0.64953%0.529SS*.Hα-helixtrans-62.8-37.7173-75.3176179.3-170.1-2.9112.4S179 E180 K187S179-R183 WeakPolarHBondContact O-CG 3.41Å; S179-R183 PolarHBondContact O-N 3.04Å; S179-R183 VanDerWaalsContact O-N 3.07Å; E180-R183 PolarHBondContact O-N 3.34Å; R183-K187 PolarHBondContact O-N 3.26Å
184G91Very high92.5Very high50 Ų5098.8 Ų98.852%0.51552%0.517SS..Hα-helixtrans-64.6-43175.100000112.8E180 A181 A182 K187E180-G184 PolarHBondContact O-N 3.14Å; A181-G184 PolarHBondContact O-N 3.4Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.45Å; G184-K187 VanDerWaalsContact O-CB 3.26Å; G184-K187 WeakPolarHBondContact O-CB 3.32Å; G184-K187 PolarHBondContact O-N 3.07Å
185R93.5Very high92.4Very high222 Ų22296.4 Ų96.484%0.83851%0.512SS*.Hα-helixtrans-68.1-38.1176.3-69.1177.3-171.6174.80.1112.6A181 A182 K187A181-R185 WeakPolarHBondContact O-CG 3.17Å; A181-R185 PolarHBondContact O-N 3.46Å; A182-R185 PolarHBondContact O-N 3.08Å; R185-K187 PolarHBondContact O-N 3.12Å
186A92.5Very high92.5Very high38 Ų3895.6 Ų95.631%0.31451%0.507SS..THydrogen-bonded Turntrans-82.412.2179.200000113.7A182 E188 A189 I190A182-A186 WeakPolarHBondContact O-CB 3.26Å; A182-A186 PolarHBondContact O-N 3.33Å; A186-E188 VanDerWaalsContact C-N 3.32Å; A186-E188 PolarHBondContact O-N 3.28Å; A186-A189 PolarHBondContact O-N 3.19Å; A186-A189 VanDerWaalsContact O-N 3.11Å; A186-I190 HydrophobicContact CB-CG2 4.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.49Å; A186-I190 PolarHBondContact O-N 2.92Å
187K89.9Confident92.4Very high141 Ų14193.7 Ų93.761%0.61350%0.503SS*.Hα-helixtrans-55.7-42.7-170.5-173.3-179178.1-169.50113.1R183 G184 R185 I190 A191R183-K187 PolarHBondContact O-N 3.26Å; G184-K187 VanDerWaalsContact O-CB 3.26Å; G184-K187 WeakPolarHBondContact O-CB 3.32Å; G184-K187 PolarHBondContact O-N 3.07Å; R185-K187 PolarHBondContact O-N 3.12Å; K187-I190 WeakPolarHBondContact O-CG1 3.48Å; K187-I190 PolarHBondContact O-N 2.87Å; K187-A191 PolarHBondContact O-N 3.13Å
188E91.6Very high92.5Very high177 Ų17794.2 Ų94.283%0.82751%0.505SS*.Hα-helixtrans-67.1-45.6177.9-66.9178.9177.800111.3A186 I190 A191A186-E188 VanDerWaalsContact C-N 3.32Å; A186-E188 PolarHBondContact O-N 3.28Å; E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.23Å; E188-A191 VanDerWaalsContact O-CB 3.29Å; E188-A191 WeakPolarHBondContact O-CB 3.33Å; E188-A191 PolarHBondContact O-N 3.44Å
189A92.8Very high92.5Very high72 Ų7298.1 Ų98.160%0.59552%0.517SS*.Hα-helixtrans-63.4-32.517800000113A186A186-A189 PolarHBondContact O-N 3.19Å; A186-A189 VanDerWaalsContact O-N 3.11Å
190I92.2Very high92.7Very high49 Ų49103.7 Ų103.725%0.25153%0.53SS..Hα-helixtrans-90.6-9178.770-178.3000114.1A186 K187 E188 Y193 Q194A186-I190 HydrophobicContact CB-CG2 4.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.49Å; A186-I190 PolarHBondContact O-N 2.92Å; K187-I190 WeakPolarHBondContact O-CG1 3.48Å; K187-I190 PolarHBondContact O-N 2.87Å; E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.23Å; I190-Y193 PolarHBondContact O-N 3.34Å; I190-Y193 VanDerWaalsContact O-N 3.12Å; I190-Q194 HydrophobicContact CG1-CG 4.34Å; I190-Q194 PolarHBondContact O-N 3.46Å
191A91.7Very high92.7Very high47 Ų47102.4 Ų102.439%0.38854%0.542SS..Hα-helixtrans-51.4-46-178.300000114.2K187 E188 Y193 Q194 A195K187-A191 PolarHBondContact O-N 3.13Å; E188-A191 VanDerWaalsContact O-CB 3.29Å; E188-A191 WeakPolarHBondContact O-CB 3.33Å; E188-A191 PolarHBondContact O-N 3.44Å; A191-Y193 VanDerWaalsContact C-N 3.34Å; A191-Y193 PolarHBondContact O-N 2.84Å; A191-Q194 PolarHBondContact O-N 3.03Å; A191-A195 PolarHBondContact O-N 3.05Å
192P94Very high92.5Very high77 Ų77107.2 Ų107.250%0.555%0.551SS.*Hα-helixtrans-61.4-40.917820.8-32.1000112.4A195 I196P192-A195 PolarHBondContact O-N 3.37Å; P192-I196 WeakPolarHBondContact O-CG1 3.28Å; P192-I196 PolarHBondContact O-N 3.08Å
193Y93Very high91.7Very high158 Ų158113 Ų11362%0.6259%0.588SS**Hα-helixtrans-69.2-35.3177-53.3-69.1000112.3I190 A191 A195 I196 L197I190-Y193 PolarHBondContact O-N 3.34Å; I190-Y193 VanDerWaalsContact O-N 3.12Å; A191-Y193 VanDerWaalsContact C-N 3.34Å; A191-Y193 PolarHBondContact O-N 2.84Å; Y193-A195 VanDerWaalsContact C-N 3.35Å; Y193-I196 PolarHBondContact O-N 2.95Å; Y193-L197 WeakPolarHBondContact O-CB 3.4Å; Y193-L197 WeakPolarHBondContact O-CG 3.37Å; Y193-L197 PolarHBondContact O-N 3.44Å
194Q91.4Very high91.8Very high74 Ų74110.1 Ų110.135%0.34659%0.585SS.*Hα-helixtrans-67.1-34.8174.1-77.4-175.3-21.900112.4I190 A191 L197 K198I190-Q194 HydrophobicContact CG1-CG 4.34Å; I190-Q194 PolarHBondContact O-N 3.46Å; A191-Q194 PolarHBondContact O-N 3.03Å; Q194-L197 PolarHBondContact O-N 3.16Å; Q194-K198 WeakPolarHBondContact O-CB 3.36Å; Q194-K198 WeakPolarHBondContact O-CG 3.48Å; Q194-K198 PolarHBondContact O-N 3.35Å
195A93Very high91.9Very high50 Ų50113.2 Ų113.241%0.41359%0.588SS.*Hα-helixtrans-63-44.8174.800000111.2A191 P192 Y193 K198 Q199A191-A195 PolarHBondContact O-N 3.05Å; P192-A195 PolarHBondContact O-N 3.37Å; Y193-A195 VanDerWaalsContact C-N 3.35Å; A195-K198 PolarHBondContact O-N 3.45Å; A195-Q199 WeakPolarHBondContact O-CG 3.43Å; A195-Q199 PolarHBondContact O-N 3.04Å
196I95Very high91.8Very high85 Ų85107.2 Ų107.244%0.43657%0.574SS.*Hα-helixtrans-60.6-48.5174.5-62.9168.2000110.3P192 Y193 K198 Q199 Y200P192-I196 WeakPolarHBondContact O-CG1 3.28Å; P192-I196 PolarHBondContact O-N 3.08Å; Y193-I196 PolarHBondContact O-N 2.95Å; I196-K198 VanDerWaalsContact C-N 3.29Å; I196-K198 PolarHBondContact O-N 2.94Å; I196-Q199 WeakPolarHBondContact O-CB 3.46Å; I196-Q199 PolarHBondContact O-N 3.24Å; I196-Q199 VanDerWaalsContact O-N 3.15Å; I196-Y200 HydrophobicContact CG2-CD2 3.97Å; I196-Y200 HydrophobicContact CG2-CE2 3.64Å; I196-Y200 WeakPolarHBondContact O-CD2 3.48Å; I196-Y200 PolarHBondContact O-N 2.84Å
197L93.8Very high91.7Very high86 Ų86111.2 Ų111.245%0.4559%0.59SS.*Hα-helixtrans-58.2-41.3178-77.3172.2000112.4Y193 Q194 Y200 G201 Y202Y193-L197 WeakPolarHBondContact O-CB 3.4Å; Y193-L197 WeakPolarHBondContact O-CG 3.37Å; Y193-L197 PolarHBondContact O-N 3.44Å; Q194-L197 PolarHBondContact O-N 3.16Å; L197-Y200 CarbonylContact O-C 3.59Å; L197-Y200 PolarHBondContact O-N 3.31Å; L197-G201 PolarHBondContact O-N 3.13Å; L197-Y202 HydrophobicContact CD2-CD2 3.97Å; L197-Y202 HydrophobicContact CD2-CG 4.16Å; L197-Y202 WeakPolarHBondContact O-CB 3.46Å; L197-Y202 PolarHBondContact O-N 3.17Å
198K94.5Very high91.9Very high145 Ų145109.4 Ų109.463%0.6359%0.588SS**Hα-helixtrans-65.2-37.3176.5-80179.8177.7-177.90113Q194 A195 I196 Y200 G201Q194-K198 WeakPolarHBondContact O-CB 3.36Å; Q194-K198 WeakPolarHBondContact O-CG 3.48Å; Q194-K198 PolarHBondContact O-N 3.35Å; A195-K198 PolarHBondContact O-N 3.45Å; I196-K198 VanDerWaalsContact C-N 3.29Å; I196-K198 PolarHBondContact O-N 2.94Å; K198-Y200 PolarHBondContact O-N 3.4Å; K198-G201 PolarHBondContact O-N 3.35Å
199Q95Very high91.9Very high158 Ų158104.9 Ų104.974%0.73857%0.572SS**Hα-helixtrans-59.3-35.8173.7-73.3176.2-10.400111.5A195 I196 G201A195-Q199 WeakPolarHBondContact O-CG 3.43Å; A195-Q199 PolarHBondContact O-N 3.04Å; I196-Q199 WeakPolarHBondContact O-CB 3.46Å; I196-Q199 PolarHBondContact O-N 3.24Å; I196-Q199 VanDerWaalsContact O-N 3.15Å; Q199-G201 VanDerWaalsContact C-N 3.27Å; Q199-G201 PolarHBondContact O-N 2.74Å
200Y94.1Very high91.8Very high176 Ų176107.2 Ų107.269%0.6957%0.571SS**THydrogen-bonded Turntrans-85.48.5174.3-63.8-68.1000114.1I196 L197 K198 Y202I196-Y200 HydrophobicContact CG2-CD2 3.97Å; I196-Y200 HydrophobicContact CG2-CE2 3.64Å; I196-Y200 WeakPolarHBondContact O-CD2 3.48Å; I196-Y200 PolarHBondContact O-N 2.84Å; L197-Y200 CarbonylContact O-C 3.59Å; L197-Y200 PolarHBondContact O-N 3.31Å; K198-Y200 PolarHBondContact O-N 3.4Å; Y200-Y202 VanDerWaalsContact C-N 3.35Å; Y200-Y202 PolarHBondContact O-N 3.42Å
201G91.8Very high91.8Very high67 Ų67111.7 Ų111.769%0.69160%0.595SS**THydrogen-bonded Turntrans7811.9176.600000115.3L197 K198 Q199L197-G201 PolarHBondContact O-N 3.13Å; K198-G201 PolarHBondContact O-N 3.35Å; Q199-G201 VanDerWaalsContact C-N 3.27Å; Q199-G201 PolarHBondContact O-N 2.74Å
202Y89.3Confident91.8Very high151 Ų151117.1 Ų117.159%0.59261%0.613SS**  trans-81.5135.6172-63.6-82.1000110.4L197 Y200L197-Y202 HydrophobicContact CD2-CD2 3.97Å; L197-Y202 HydrophobicContact CD2-CG 4.16Å; L197-Y202 WeakPolarHBondContact O-CB 3.46Å; L197-Y202 PolarHBondContact O-N 3.17Å; Y200-Y202 VanDerWaalsContact C-N 3.35Å; Y200-Y202 PolarHBondContact O-N 3.42Å
203S76.6Confident91.6Very high178 Ų178120.7 Ų120.7100%1.24562%0.623SS**  trans-99.30175.950.10000114.1

Retrieved 203 of 203 residues in 85.6 ms (Link to these results)

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