G4VQR7_SCHMA Loading...

Nucleoside diphosphate kinase 5

AlphaFold DB , UniProt , Accession G4VQR7, 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
1M34.7Very low50.8Low243 Ų243123.6 Ų123.6100%1.19763%0.631SS**  0102.60-67.7178.4-135.600107.1R3M1-R3 PolarHBondContact O-N 3.05Å
2A33.3Very low54.2Low96 Ų96114.4 Ų114.479%0.79358%0.584SS**  trans-66.4125.6177.100000108E4A2-E4 PolarHBondContact O-N 2.71Å
3R41.7Very low57.2Low215 Ų215108.4 Ų108.481%0.81155%0.549SS*.  trans-65.2105164.9-73.6-175.7178.8-176.9-0.5105.8M1M1-R3 PolarHBondContact O-N 3.05Å
4E41.2Very low60.1Low181 Ų181100.6 Ų100.685%0.84651%0.51SS*.  trans-50.9140.3172.9-74.6174144.700109.8A2 S6A2-E4 PolarHBondContact O-N 2.71Å; E4-S6 VanDerWaalsContact C-N 3.25Å; E4-S6 PolarHBondContact O-N 3.38Å
5N42.1Very low62.6Low167 Ų16793.9 Ų93.989%0.89348%0.476SS*.  trans-54.985175.8-76.9-29.3000110.9P7N5-P7 WeakPolarHBondContact O-CD 3.44Å
6S45.7Very low64.9Low62 Ų6288.1 Ų88.143%0.43445%0.447SS..  trans-61.6121.6162.6-178.40000107E4 Y8E4-S6 VanDerWaalsContact C-N 3.25Å; E4-S6 PolarHBondContact O-N 3.38Å; S6-Y8 PolarHBondContact O-N 2.92Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.47Å
7P54Low66.9Low80 Ų8083.1 Ų83.152%0.51942%0.421SS..SBendtrans-69.4817830-35.5000112.8N5 R153N5-P7 WeakPolarHBondContact O-CD 3.44Å; P7-R153 PolarHBondContact O-NE 3.23Å
8Y49.4Very low68.6Low108 Ų10878.4 Ų78.442%0.42440%0.398SS..SBendtrans-100114.4179.8-59.2-82.9000108.8S6 H10 S151 R153S6-Y8 PolarHBondContact O-N 2.92Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.47Å; Y8-H10 PolarHBondContact O-CD2 3.4Å; Y8-H10 VanDerWaalsContact O-CD2 3.3Å; Y8-H10 PolarHBondContact O-N 3.06Å; Y8-S151 VanDerWaalsContact CD1-OG 3.28Å; Y8-S151 WeakPolarHBondContact CD1-OG 3.41Å; Y8-R153 HydrophobicContact CD1-CB 3.8Å; Y8-R153 HydrophobicContact CD1-CG 4.26Å; Y8-R153 HydrophobicContact CE1-CB 3.98Å
9I59.8Low70.2Confident85 Ų8574.9 Ų74.944%0.43638%0.379SS..  trans-67.5117.4162.9-59172.5000105.7I11 E86 V152I9-I11 HydrophobicContact CG2-CD1 4.26Å; I9-E86 HydrophobicContact CG2-CB 4.44Å; I9-E86 HydrophobicContact CG2-CG 4.36Å; I9-V152 HydrophobicContact CB-CB 4.24Å; I9-V152 HydrophobicContact CB-CG2 3.99Å; I9-V152 HydrophobicContact CG2-CG2 3.98Å; I9-V152 VanDerWaalsContact O-CG2 3.3Å; I9-V152 WeakPolarHBondContact O-CG2 3.38Å; I9-V152 PolarHBondContact O-N 2.89Å
10H72Confident71.5Confident81 Ų8172.2 Ų72.238%0.37537%0.367SS..EExtended strand (participates in β ladder)trans-95.7115.4175.1-74.4-80000108.1Y8 E12Y8-H10 PolarHBondContact O-CD2 3.4Å; Y8-H10 VanDerWaalsContact O-CD2 3.3Å; Y8-H10 PolarHBondContact O-N 3.06Å; H10-E12 PolarHBondContact O-N 3.34Å
11I84.9Confident72.7Confident42 Ų4271 Ų7122%0.21536%0.361CS..EExtended strand (participates in β ladder)trans-82.9110.2169.5-62-61.8000107I9 A84 E86 I150 V152I9-I11 HydrophobicContact CG2-CD1 4.26Å; I11-A84 HydrophobicContact CG2-CB 3.78Å; I11-E86 HydrophobicContact CD1-CB 4.49Å; I11-I150 PolarHBondContact N-O 2.85Å; I11-I150 PolarHBondContact O-N 3.21Å; I11-V152 HydrophobicContact CD1-CG2 4.16Å; I11-V152 HydrophobicContact CG1-CG2 3.45Å; I11-V152 VanDerWaalsContact CG1-CG2 3.45Å
12E91.6Very high75.6Confident13 Ų1359.7 Ų59.76%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-79.7144.7174.3-47.4-175174.100108.8H10 A84 R85 N87 A88 I89 F131H10-E12 PolarHBondContact O-N 3.34Å; E12-A84 WeakPolarHBondContact O-CA 3.43Å; E12-R85 PolarHBondContact N-O 3.39Å; E12-R85 PolarHBondContact O-N 3.2Å; E12-R85 VanDerWaalsContact O-N 3.08Å; E12-N87 VanDerWaalsContact CD-CA 3.44Å; E12-N87 WeakPolarHBondContact OE1-CA 3.44Å; E12-N87 VanDerWaalsContact OE2-C 3.25Å; E12-N87 WeakPolarHBondContact OE2-CA 3.15Å; E12-A88 HydrophobicContact CB-CB 3.83Å; E12-A88 PolarHBondContact OE2-N 2.96Å; E12-I89 PolarHBondContact OE2-N 2.89Å; E12-I89 VanDerWaalsContact OE2-N 3.11Å; E12-F131 HydrophobicContact CB-CE1 3.91Å; E12-F131 VanDerWaalsContact CD-CE1 3.48Å; E12-F131 HydrophobicContact CG-CE1 3.52Å; E12-F131 HydrophobicContact CG-CZ 3.74Å; E12-F131 WeakPolarHBondContact OE1-CZ 3.37Å
13R93.7Very high78.7Confident36 Ų3656 Ų5614%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-110137.5167.2-66171.7176.7145.9-27.5107.8V82 I83 A84 I138 D146 A148 I150R13-V82 HydrophobicContact CB-CG1 4.41Å; R13-I83 WeakPolarHBondContact CA-O 3.16Å; R13-A84 HydrophobicContact CG-CB 4.1Å; R13-I138 HydrophobicContact CB-CD1 4.1Å; R13-D146 PolarHBondContact NH1-O 3.02Å; R13-A148 PolarHBondContact NH1-O 3.32Å; R13-I150 VanDerWaalsContact NH2-CD1 3.29Å
14T97.2Very high81.3Confident0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-137159.1176.5-167.80000110.5I83 A88 L92T14-I83 HydrophobicContact CG2-CD1 4.1Å; T14-I83 HydrophobicContact CG2-CG1 3.57Å; T14-I83 PolarHBondContact N-O 2.82Å; T14-I83 PolarHBondContact O-N 2.91Å; T14-A88 HydrophobicContact CG2-CB 3.98Å; T14-L92 HydrophobicContact CG2-CB 4.39Å; T14-L92 HydrophobicContact CG2-CD2 3.65Å
15L98.1Very high84Confident0 Ų050 Ų500%025%0.254CS..EExtended strand (participates in β ladder)trans-94.1136.5174.4-159.790.7000110.1I17 F56 V80 V82 A127 S128 E137 I138 F141 F142L15-I17 HydrophobicContact CD2-CD1 3.65Å; L15-I17 HydrophobicContact CD2-CG1 3.54Å; L15-I17 HydrophobicContact CG-CG1 4.32Å; L15-F56 HydrophobicContact CD2-CE2 4.38Å; L15-F56 HydrophobicContact CD2-CZ 4.15Å; L15-V80 HydrophobicContact CD1-CG1 3.65Å; L15-V80 HydrophobicContact CD2-CG1 4.2Å; L15-V80 HydrophobicContact CG-CG1 4.1Å; L15-V82 HydrophobicContact CD1-CG2 4.43Å; L15-A127 WeakPolarHBondContact O-CA 3.32Å; L15-S128 WeakPolarHBondContact CB-OG 3.3Å; L15-S128 PolarHBondContact N-OG 2.93Å; L15-S128 PolarHBondContact O-N 2.92Å; L15-E137 HydrophobicContact CB-CB 4.32Å; L15-E137 HydrophobicContact CD2-CB 3.96Å; L15-I138 HydrophobicContact CB-CG1 4.14Å; L15-I138 HydrophobicContact CD1-CG1 3.82Å; L15-F141 HydrophobicContact CD1-CD2 4.11Å; L15-F141 HydrophobicContact CD2-CD2 3.83Å; L15-F141 HydrophobicContact CD2-CE2 3.76Å; L15-F142 HydrophobicContact CD1-CE2 4.49Å
16L98.5Very high86.7Confident1 Ų142 Ų421%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-120.9132.2163.1174.2130.8000108.6I18 I33 L81 I83 L92 I125L16-I18 HydrophobicContact CD2-CD1 4.22Å; L16-I18 HydrophobicContact CD2-CG1 3.66Å; L16-I33 HydrophobicContact CD1-CD1 4.07Å; L16-L81 HydrophobicContact CB-CB 4.48Å; L16-L81 HydrophobicContact CD2-CB 4.28Å; L16-L81 HydrophobicContact CD2-CD1 3.46Å; L16-L81 VanDerWaalsContact CD2-CD1 3.46Å; L16-L81 HydrophobicContact CD2-CG 4.42Å; L16-L81 PolarHBondContact N-O 2.98Å; L16-L81 PolarHBondContact O-N 2.66Å; L16-I83 HydrophobicContact CB-CD1 4.47Å; L16-L92 HydrophobicContact CB-CD2 4.05Å; L16-L92 HydrophobicContact CD1-CD1 3.64Å; L16-L92 HydrophobicContact CD1-CD2 4.21Å; L16-L92 HydrophobicContact CD1-CG 4.44Å; L16-I125 HydrophobicContact CD1-CD1 4.48Å; L16-I125 HydrophobicContact CD1-CG2 3.72Å; L16-I125 HydrophobicContact CG-CG2 4.02Å
17I98.6Very high89.2Confident2 Ų244.7 Ų44.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-117.9125170.5-54.7172000108.6L15 F56 I78 E79 V80 I125 H126 F141L15-I17 HydrophobicContact CD2-CD1 3.65Å; L15-I17 HydrophobicContact CD2-CG1 3.54Å; L15-I17 HydrophobicContact CG-CG1 4.32Å; I17-F56 HydrophobicContact CD1-CE1 3.75Å; I17-F56 HydrophobicContact CD1-CE2 4.46Å; I17-F56 HydrophobicContact CD1-CZ 3.61Å; I17-I78 HydrophobicContact CG2-CB 3.85Å; I17-I78 HydrophobicContact CG2-CD1 3.77Å; I17-I78 HydrophobicContact CG2-CG1 4.28Å; I17-I78 HydrophobicContact CG2-CG2 4.3Å; I17-E79 CarbonylContact C-O 3.6Å; I17-E79 VanDerWaalsContact CA-O 3.32Å; I17-E79 WeakPolarHBondContact CA-O 3.19Å; I17-V80 HydrophobicContact CG1-CG1 4.34Å; I17-V80 HydrophobicContact CG1-CG2 4.32Å; I17-I125 WeakPolarHBondContact O-CA 3.48Å; I17-H126 HydrophobicContact CB-CB 4.12Å; I17-H126 PolarHBondContact N-O 3.02Å; I17-H126 PolarHBondContact O-N 3.34Å; I17-F141 HydrophobicContact CD1-CE2 3.78Å; I17-F141 HydrophobicContact CD1-CZ 3.96Å; I17-F141 HydrophobicContact CG1-CE2 4.49Å
18I98.5Very high91.3Very high0 Ų047.1 Ų47.10%022%0.224CC..EExtended strand (participates in β ladder)trans-88.2116.8167-52-177000106.9L16 I22 A26 I29 I78 E79 L81L16-I18 HydrophobicContact CD2-CD1 4.22Å; L16-I18 HydrophobicContact CD2-CG1 3.66Å; I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 3.68Å; I18-A26 HydrophobicContact CD1-CB 3.97Å; I18-I29 HydrophobicContact CD1-CB 3.89Å; I18-I29 HydrophobicContact CD1-CD1 4.17Å; I18-I29 HydrophobicContact CD1-CG2 3.76Å; I18-I29 HydrophobicContact CG1-CG2 4.35Å; I18-I29 HydrophobicContact CG2-CD1 4.15Å; I18-I78 WeakPolarHBondContact O-CA 3.39Å; I18-I78 WeakPolarHBondContact O-CB 3.25Å; I18-E79 HydrophobicContact CB-CB 3.89Å; I18-E79 HydrophobicContact CD1-CB 4.2Å; I18-E79 HydrophobicContact CG1-CB 4.2Å; I18-E79 PolarHBondContact N-O 3.24Å; I18-E79 PolarHBondContact O-N 3.01Å; I18-L81 HydrophobicContact CD1-CD1 4.02Å; I18-L81 HydrophobicContact CG1-CD1 4.17Å
19K97.9Very high93.6Very high11 Ų1142 Ų425%0.04820%0.204CC..  trans-79.4166.6-172.5-65.8178.5167.6-175.30112.1D21 I22 I23 Y72 I73 Q121 N123 G124K19-D21 VanDerWaalsContact C-N 3.29Å; K19-D21 WeakPolarHBondContact CB-OD1 3.42Å; K19-D21 PolarHBondContact O-N 2.98Å; K19-I22 PolarHBondContact O-N 3.17Å; K19-I23 PolarHBondContact O-N 3.39Å; K19-Y72 VanDerWaalsContact CB-OH 3.3Å; K19-Y72 WeakPolarHBondContact CB-OH 3.27Å; K19-Y72 HydrophobicContact CD-CE1 3.87Å; K19-Y72 WeakPolarHBondContact CD-OH 3.38Å; K19-I73 HydrophobicContact CD-CD1 4.06Å; K19-I73 HydrophobicContact CG-CD1 3.92Å; K19-Q121 PolarHBondContact NZ-O 3.06Å; K19-N123 PolarHBondContact NZ-OD1 2.86Å; K19-G124 VanDerWaalsContact CB-O 3.24Å; K19-G124 WeakPolarHBondContact CB-O 3.33Å; K19-G124 WeakPolarHBondContact CG-O 3.29Å; K19-G124 PolarHBondContact N-O 3.3Å
20P97.8Very high95.4Very high20 Ų2039.2 Ų39.213%0.1319%0.189CC..G310 helixtrans-60.5-33-169.3-26.637.3000115.1I22 I23 P77 I78P20-I22 PolarHBondContact O-N 2.94Å; P20-I23 WeakPolarHBondContact O-CG2 3.3Å; P20-P77 WeakPolarHBondContact CA-O 3.5Å; P20-I78 HydrophobicContact CG-CG2 3.79Å
21D95.3Very high96.7Very high48 Ų4840.8 Ų40.826%0.25720%0.196SC..G310 helixtrans-60.3-29.8-18055.2-42.3000113.5K19 Y72 G124K19-D21 VanDerWaalsContact C-N 3.29Å; K19-D21 WeakPolarHBondContact CB-OD1 3.42Å; K19-D21 PolarHBondContact O-N 2.98Å; D21-Y72 HydrophobicContact CB-CE2 4.37Å; D21-Y72 PolarHBondContact OD1-OH 2.83Å; D21-Y72 PolarHBondContact OD2-OH 3.33Å; D21-G124 WeakPolarHBondContact OD2-CA 3.2Å; D21-G124 PolarHBondContact OD2-N 3.5Å
22I97.1Very high97.3Very high5 Ų541 Ų413%0.02620%0.198CC..G310 helixtrans-123.515.7-172.366.7156.4000112.5I18 K19 P20 N24 Y25 I29 Y116 G124 I125I18-I22 HydrophobicContact CG2-CD1 3.88Å; I18-I22 HydrophobicContact CG2-CG1 3.68Å; K19-I22 PolarHBondContact O-N 3.17Å; P20-I22 PolarHBondContact O-N 2.94Å; I22-N24 PolarHBondContact O-N 2.95Å; I22-N24 VanDerWaalsContact O-N 3.12Å; I22-Y25 HydrophobicContact CB-CD2 4.05Å; I22-Y25 WeakPolarHBondContact O-CB 3.38Å; I22-Y25 PolarHBondContact O-N 3.14Å; I22-I29 HydrophobicContact CD1-CD1 3.66Å; I22-Y116 HydrophobicContact CD1-CG 4.42Å; I22-Y116 HydrophobicContact CG2-CG 4.47Å; I22-G124 VanDerWaalsContact CD1-CA 3.48Å; I22-G124 VanDerWaalsContact CD1-O 3.22Å; I22-G124 WeakPolarHBondContact CD1-O 3.38Å; I22-G124 WeakPolarHBondContact CG1-O 3.4Å; I22-I125 HydrophobicContact CD1-CD1 4.36Å; I22-I125 HydrophobicContact CD1-CG1 3.75Å
23I96.8Very high97.6Very high18 Ų1840.4 Ų40.49%0.09220%0.195CC..G310 helixtrans-58.4-29.2-177.6-162.465.5000112.7K19 P20 Y25 A26 E79K19-I23 PolarHBondContact O-N 3.39Å; P20-I23 WeakPolarHBondContact O-CG2 3.3Å; I23-Y25 PolarHBondContact O-N 3.33Å; I23-A26 WeakPolarHBondContact O-CB 3.39Å; I23-A26 PolarHBondContact O-N 2.92Å; I23-A26 VanDerWaalsContact O-N 3.09Å; I23-E79 HydrophobicContact CD1-CB 3.77Å; I23-E79 VanDerWaalsContact CD1-N 3.34Å
24N97.1Very high97.8Very high153 Ų15343.3 Ų43.382%0.81821%0.212SC*.G310 helixtrans-67.5-14.5176-64.9-30000113.3I22I22-N24 PolarHBondContact O-N 2.95Å; I22-N24 VanDerWaalsContact O-N 3.12Å
25Y98Very high97.8Very high117 Ų11749.6 Ų49.646%0.45924%0.242SC..G310 helixtrans-100.17.5175.1-57-75000112.9I22 I23 D27 K28 I29 Y116I22-Y25 HydrophobicContact CB-CD2 4.05Å; I22-Y25 WeakPolarHBondContact O-CB 3.38Å; I22-Y25 PolarHBondContact O-N 3.14Å; I23-Y25 PolarHBondContact O-N 3.33Å; Y25-D27 PolarHBondContact O-N 3.47Å; Y25-K28 PolarHBondContact O-N 3.38Å; Y25-K28 VanDerWaalsContact O-N 3.16Å; Y25-I29 WeakPolarHBondContact O-CG1 3.35Å; Y25-I29 PolarHBondContact O-N 3.25Å; Y25-Y116 AromaticContact CD1-CE1 3.85Å; Y25-Y116 HydrophobicContact CD1-CE1 3.85Å; Y25-Y116 AromaticContact CD2-CD1 3.93Å; Y25-Y116 HydrophobicContact CD2-CD1 3.93Å; Y25-Y116 AromaticContact CD2-CE1 3.96Å; Y25-Y116 HydrophobicContact CD2-CE1 3.96Å; Y25-Y116 HydrophobicContact CE1-CE1 4.3Å; Y25-Y116 HydrophobicContact CE2-CD1 4.26Å; Y25-Y116 HydrophobicContact CE2-CE1 4.4Å; Y25-Y116 HydrophobicContact CG-CD1 4.11Å; Y25-Y116 AromaticContact CG-CE1 3.66Å; Y25-Y116 HydrophobicContact CG-CE1 3.66Å
26A98.1Very high97.8Very high1 Ų154.4 Ų54.41%0.00826%0.263CS..Hα-helixtrans-53.1-51.5-175.200000112.7I18 I23 K28 I29 E30 E79I18-A26 HydrophobicContact CD1-CB 3.97Å; I23-A26 WeakPolarHBondContact O-CB 3.39Å; I23-A26 PolarHBondContact O-N 2.92Å; I23-A26 VanDerWaalsContact O-N 3.09Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.39Å; A26-I29 PolarHBondContact O-N 3.14Å; A26-I29 VanDerWaalsContact O-N 3.08Å; A26-E30 WeakPolarHBondContact O-CG 3.41Å; A26-E30 PolarHBondContact O-N 3.42Å; A26-E79 HydrophobicContact CB-CB 4.45Å; A26-E79 HydrophobicContact CB-CG 4.42Å
27D98.1Very high97.6Very high118 Ų11856.6 Ų56.663%0.63129%0.286SS*.Hα-helixtrans-59.9-39.7-178.8-61.9-26000112.3Y25 E30 E31Y25-D27 PolarHBondContact O-N 3.47Å; D27-E30 PolarHBondContact O-N 3.48Å; D27-E31 PolarHBondContact O-N 3.46Å
28K98.2Very high97.6Very high131 Ų13156.7 Ų56.757%0.5729%0.286SS*.Hα-helixtrans-68.2-37.2177.5-174.4178.3178.7-1730112Y25 A26 L32Y25-K28 PolarHBondContact O-N 3.38Å; Y25-K28 VanDerWaalsContact O-N 3.16Å; A26-K28 VanDerWaalsContact C-N 3.29Å; A26-K28 PolarHBondContact O-N 3.39Å; K28-L32 PolarHBondContact O-N 3.01Å; K28-L32 VanDerWaalsContact O-N 3.12Å
29I98.2Very high97.4Very high1 Ų161.9 Ų61.91%0.00531%0.313CS..Hα-helixtrans-70.4-41.2176.8-67.7163.6000109.9I18 I22 Y25 A26 E31 L32 I33 L112 Y116 I125I18-I29 HydrophobicContact CD1-CB 3.89Å; I18-I29 HydrophobicContact CD1-CD1 4.17Å; I18-I29 HydrophobicContact CD1-CG2 3.76Å; I18-I29 HydrophobicContact CG1-CG2 4.35Å; I18-I29 HydrophobicContact CG2-CD1 4.15Å; I22-I29 HydrophobicContact CD1-CD1 3.66Å; Y25-I29 WeakPolarHBondContact O-CG1 3.35Å; Y25-I29 PolarHBondContact O-N 3.25Å; A26-I29 PolarHBondContact O-N 3.14Å; A26-I29 VanDerWaalsContact O-N 3.08Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.87Å; I29-L32 PolarHBondContact O-N 3.27Å; I29-I33 HydrophobicContact CG2-CG1 4.36Å; I29-I33 VanDerWaalsContact O-CG1 3.23Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.45Å; I29-L112 HydrophobicContact CG1-CD2 4.34Å; I29-L112 HydrophobicContact CG2-CD1 4.31Å; I29-Y116 HydrophobicContact CD1-CD2 4.41Å; I29-Y116 HydrophobicContact CD1-CE2 4.21Å; I29-Y116 HydrophobicContact CG1-CE2 4.05Å; I29-I125 HydrophobicContact CD1-CD1 4.29Å; I29-I125 HydrophobicContact CG2-CD1 4.15Å
30E98.2Very high97.3Very high25 Ų2563.8 Ų63.812%0.11732%0.324CS..Hα-helixtrans-59.5-44.8174.6-73.5176.8-14100111.9A26 D27 L32 I33 L34 I40 K43 L81A26-E30 WeakPolarHBondContact O-CG 3.41Å; A26-E30 PolarHBondContact O-N 3.42Å; D27-E30 PolarHBondContact O-N 3.48Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.97Å; E30-I33 WeakPolarHBondContact O-CB 3.49Å; E30-I33 PolarHBondContact O-N 3.43Å; E30-L34 WeakPolarHBondContact O-CG 3.24Å; E30-L34 PolarHBondContact O-N 3.29Å; E30-I40 HydrophobicContact CB-CD1 4.19Å; E30-I40 HydrophobicContact CG-CD1 4.29Å; E30-K43 VanDerWaalsContact OE1-CD 3.25Å; E30-K43 WeakPolarHBondContact OE1-CD 3.42Å; E30-K43 WeakPolarHBondContact OE1-CE 3.33Å; E30-K43 IonicContact OE1-NZ 2.72Å; E30-K43 PolarHBondContact OE1-NZ 3.3Å; E30-K43 WeakPolarHBondContact OE2-CD 3.14Å; E30-K43 IonicContact OE2-NZ 3.57Å; E30-K43 PolarHBondContact OE2-NZ 3.05Å; E30-L81 HydrophobicContact CG-CD1 4.48Å; E30-L81 HydrophobicContact CG-CD2 3.7Å
31E98.2Very high97.2Very high114 Ų11466 Ų6653%0.53333%0.334SS..Hα-helixtrans-59.3-45.8174.8-167.4-174.1176.600111.4D27 I29 I33 L34 Q35D27-E31 PolarHBondContact O-N 3.46Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.87Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.73Å; E31-L34 PolarHBondContact O-N 3.34Å; E31-Q35 WeakPolarHBondContact O-CB 3.48Å; E31-Q35 VanDerWaalsContact O-CG 3.28Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.02Å; E31-Q35 PolarHBondContact OE1-NE2 2.89Å
32L98.1Very high97.2Very high47 Ų4768.2 Ų68.225%0.24634%0.342CS..Hα-helixtrans-61.1-41.2176.317966000112.1K28 I29 E30 L34 Q35 K36 L95 L112K28-L32 PolarHBondContact O-N 3.01Å; K28-L32 VanDerWaalsContact O-N 3.12Å; I29-L32 PolarHBondContact O-N 3.27Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.97Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.91Å; L32-Q35 PolarHBondContact O-N 3.24Å; L32-K36 HydrophobicContact CD1-CG 4.21Å; L32-K36 HydrophobicContact CG-CG 4.39Å; L32-K36 WeakPolarHBondContact O-CB 3.4Å; L32-K36 VanDerWaalsContact O-CG 3.25Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 2.94Å; L32-L95 HydrophobicContact CD2-CD1 4.34Å; L32-L112 HydrophobicContact CD2-CD1 4.38Å; L32-L112 HydrophobicContact CD2-CD2 3.73Å; L32-L112 HydrophobicContact CD2-CG 4.28Å
33I98.2Very high97.2Very high1 Ų171.6 Ų71.61%0.00536%0.357CS..Hα-helixtrans-59.9-45.6177.4-71.8-69.5000110.3L16 I29 E30 E31 K36 G37 F38 I40 I83 L92 L95L16-I33 HydrophobicContact CD1-CD1 4.07Å; I29-I33 HydrophobicContact CG2-CG1 4.36Å; I29-I33 VanDerWaalsContact O-CG1 3.23Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.45Å; E30-I33 WeakPolarHBondContact O-CB 3.49Å; E30-I33 PolarHBondContact O-N 3.43Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.73Å; I33-K36 CarbonylContact O-C 3.56Å; I33-K36 PolarHBondContact O-N 3.44Å; I33-G37 PolarHBondContact O-N 3.1Å; I33-F38 HydrophobicContact CG2-CB 3.6Å; I33-F38 HydrophobicContact CG2-CD2 4.32Å; I33-F38 HydrophobicContact CG2-CG 4.13Å; I33-F38 WeakPolarHBondContact O-CB 3.41Å; I33-F38 PolarHBondContact O-N 2.83Å; I33-I40 HydrophobicContact CG2-CG1 4.38Å; I33-I83 HydrophobicContact CD1-CD1 4.18Å; I33-I83 HydrophobicContact CG2-CD1 4.17Å; I33-I83 HydrophobicContact CG2-CG2 4.03Å; I33-L92 HydrophobicContact CD1-CD1 3.9Å; I33-L95 HydrophobicContact CD1-CD2 3.72Å
34L98Very high97.3Very high96 Ų9676.1 Ų76.150%0.50337%0.373SS..Hα-helixtrans-63.6-44.4175.4-66.4171.7000111.9E30 E31 L32 K36 G37 I40E30-L34 WeakPolarHBondContact O-CG 3.24Å; E30-L34 PolarHBondContact O-N 3.29Å; E31-L34 PolarHBondContact O-N 3.34Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.91Å; L34-K36 PolarHBondContact O-N 3.11Å; L34-G37 WeakPolarHBondContact O-CA 3.21Å; L34-G37 PolarHBondContact O-N 2.92Å; L34-I40 HydrophobicContact CD1-CD1 4.34Å; L34-I40 HydrophobicContact CD2-CD1 4Å; L34-I40 HydrophobicContact CD2-CG1 4.01Å; L34-I40 HydrophobicContact CG-CD1 4.02Å; L34-I40 HydrophobicContact CG-CG1 4.5Å
35Q97.6Very high97.3Very high132 Ų13275.3 Ų75.362%0.61736%0.358SS*.Hα-helixtrans-61.5-31175.9-71.9174.25.700112.4E31 L32 G37E31-Q35 WeakPolarHBondContact O-CB 3.48Å; E31-Q35 VanDerWaalsContact O-CG 3.28Å; E31-Q35 WeakPolarHBondContact O-CG 3.46Å; E31-Q35 PolarHBondContact O-N 3.02Å; E31-Q35 PolarHBondContact OE1-NE2 2.89Å; L32-Q35 PolarHBondContact O-N 3.24Å; Q35-G37 PolarHBondContact O-N 3.2Å
36K97.1Very high97.3Very high102 Ų10270.8 Ų70.844%0.44334%0.343SS..THydrogen-bonded Turntrans-79.310.4172.8-67.2-69.5-179.6-179.30113L32 I33 L34 F38 R85 L95L32-K36 HydrophobicContact CD1-CG 4.21Å; L32-K36 HydrophobicContact CG-CG 4.39Å; L32-K36 WeakPolarHBondContact O-CB 3.4Å; L32-K36 VanDerWaalsContact O-CG 3.25Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 2.94Å; I33-K36 CarbonylContact O-C 3.56Å; I33-K36 PolarHBondContact O-N 3.44Å; L34-K36 PolarHBondContact O-N 3.11Å; K36-F38 VanDerWaalsContact C-N 3.33Å; K36-F38 HydrophobicContact CB-CD2 3.99Å; K36-F38 HydrophobicContact CB-CE2 4.15Å; K36-F38 PolarHBondContact O-N 2.95Å; K36-R85 PolarHBondContact O-NH1 2.99Å; K36-L95 HydrophobicContact CB-CD2 4.45Å; K36-L95 HydrophobicContact CD-CD1 4.23Å; K36-L95 HydrophobicContact CG-CD1 4.05Å; K36-L95 HydrophobicContact CG-CD2 4.08Å
37G95.3Very high97.3Very high47 Ų4775.9 Ų75.949%0.48537%0.366SS..THydrogen-bonded Turntrans75.918.617200000114.4I33 L34 Q35I33-G37 PolarHBondContact O-N 3.1Å; L34-G37 WeakPolarHBondContact O-CA 3.21Å; L34-G37 PolarHBondContact O-N 2.92Å; Q35-G37 PolarHBondContact O-N 3.2Å
38F97Very high97.3Very high3 Ų370.8 Ų70.81%0.01334%0.339CS..  trans-81.9148167.3-69.4-94000110.2I33 K36 I83 R85 A88 I91 L92I33-F38 HydrophobicContact CG2-CB 3.6Å; I33-F38 HydrophobicContact CG2-CD2 4.32Å; I33-F38 HydrophobicContact CG2-CG 4.13Å; I33-F38 WeakPolarHBondContact O-CB 3.41Å; I33-F38 PolarHBondContact O-N 2.83Å; K36-F38 VanDerWaalsContact C-N 3.33Å; K36-F38 HydrophobicContact CB-CD2 3.99Å; K36-F38 HydrophobicContact CB-CE2 4.15Å; K36-F38 PolarHBondContact O-N 2.95Å; F38-I83 HydrophobicContact CB-CB 4.34Å; F38-I83 HydrophobicContact CB-CD1 4.42Å; F38-I83 HydrophobicContact CD1-CB 4.18Å; F38-I83 HydrophobicContact CD1-CD1 3.47Å; F38-I83 VanDerWaalsContact CD1-CD1 3.47Å; F38-I83 HydrophobicContact CD1-CG1 3.78Å; F38-I83 HydrophobicContact CE1-CD1 3.73Å; F38-I83 HydrophobicContact CE1-CG1 4.23Å; F38-I83 HydrophobicContact CG-CD1 3.93Å; F38-I83 HydrophobicContact CG-CG1 4.5Å; F38-I83 HydrophobicContact CZ-CD1 4.41Å; F38-R85 HydrophobicContact CD1-CB 3.68Å; F38-R85 HydrophobicContact CE1-CB 3.94Å; F38-R85 HydrophobicContact CG-CB 4.32Å; F38-A88 HydrophobicContact CD1-CB 4.39Å; F38-A88 HydrophobicContact CE1-CB 3.88Å; F38-I91 HydrophobicContact CE2-CG2 3.81Å; F38-I91 HydrophobicContact CZ-CB 4Å; F38-I91 HydrophobicContact CZ-CG2 3.62Å; F38-L92 HydrophobicContact CE1-CB 4.31Å; F38-L92 HydrophobicContact CZ-CB 4.03Å
39L95.5Very high97.3Very high110 Ų11067.3 Ų67.358%0.57633%0.329SS*.EExtended strand (participates in β ladder)trans-92.4134.5163.8-60.3174.5000108.6I41 I83 A84L39-I41 HydrophobicContact CB-CD1 3.99Å; L39-I83 CarbonylContact O-C 3.55Å; L39-I83 WeakPolarHBondContact O-CA 3.32Å; L39-A84 HydrophobicContact CB-CB 4.46Å; L39-A84 PolarHBondContact N-O 2.73Å; L39-A84 PolarHBondContact O-N 2.84Å
40I96Very high97.3Very high51 Ų5170.3 Ų70.326%0.26235%0.348SS..EExtended strand (participates in β ladder)trans-87.1110.7166.3-62171.2000107E30 I33 L34 K43 L81 I83E30-I40 HydrophobicContact CB-CD1 4.19Å; E30-I40 HydrophobicContact CG-CD1 4.29Å; I33-I40 HydrophobicContact CG2-CG1 4.38Å; L34-I40 HydrophobicContact CD1-CD1 4.34Å; L34-I40 HydrophobicContact CD2-CD1 4Å; L34-I40 HydrophobicContact CD2-CG1 4.01Å; L34-I40 HydrophobicContact CG-CD1 4.02Å; L34-I40 HydrophobicContact CG-CG1 4.5Å; I40-K43 HydrophobicContact CG2-CB 4.36Å; I40-L81 HydrophobicContact CD1-CD2 3.79Å; I40-L81 HydrophobicContact CG1-CD2 4.07Å; I40-L81 HydrophobicContact CG2-CD2 3.93Å; I40-I83 HydrophobicContact CG1-CG2 4.2Å
41I95.1Very high97.3Very high67 Ų6775.4 Ų75.434%0.34437%0.372SS..EExtended strand (participates in β ladder)trans-84.1-43.6-178.6-56.3-55.9000110.4L39 V82 A84 M145L39-I41 HydrophobicContact CB-CD1 3.99Å; I41-V82 HydrophobicContact CB-CB 4.37Å; I41-V82 HydrophobicContact CB-CG1 4.1Å; I41-V82 PolarHBondContact N-O 3.41Å; I41-A84 HydrophobicContact CD1-CB 3.81Å; I41-A84 HydrophobicContact CG1-CB 3.62Å; I41-M145 HydrophobicContact CG2-SD 4.16Å
42Q95.9Very high97.3Very high94 Ų9473.9 Ų73.944%0.43937%0.365SS..EExtended strand (participates in β ladder)trans-148.4146.4-180-163.762.540.400109.5L81 V82 F142 M145Q42-L81 WeakPolarHBondContact O-CA 3.31Å; Q42-V82 HydrophobicContact CB-CB 4.13Å; Q42-V82 HydrophobicContact CB-CG2 4.1Å; Q42-V82 PolarHBondContact N-O 3.12Å; Q42-V82 PolarHBondContact O-N 3.47Å; Q42-F142 HydrophobicContact CB-CD1 4.36Å; Q42-F142 HydrophobicContact CB-CE1 4.09Å; Q42-F142 HydrophobicContact CB-CZ 4.27Å; Q42-F142 HydrophobicContact CG-CD1 3.5Å; Q42-F142 HydrophobicContact CG-CE1 3.22Å; Q42-F142 HydrophobicContact CG-CG 4.32Å; Q42-F142 HydrophobicContact CG-CZ 3.85Å; Q42-M145 HydrophobicContact CB-SD 4.37Å
43K97.4Very high97.3Very high75 Ų7571.7 Ų71.733%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-135.8145.5174.3176.9170.2109.9166.10109.9E30 I40 E79 V80 L81E30-K43 VanDerWaalsContact OE1-CD 3.25Å; E30-K43 WeakPolarHBondContact OE1-CD 3.42Å; E30-K43 WeakPolarHBondContact OE1-CE 3.33Å; E30-K43 IonicContact OE1-NZ 2.72Å; E30-K43 PolarHBondContact OE1-NZ 3.3Å; E30-K43 WeakPolarHBondContact OE2-CD 3.14Å; E30-K43 IonicContact OE2-NZ 3.57Å; E30-K43 PolarHBondContact OE2-NZ 3.05Å; I40-K43 HydrophobicContact CG2-CB 4.36Å; K43-E79 HydrophobicContact CD-CG 4.06Å; K43-E79 VanDerWaalsContact CD-OE1 3.25Å; K43-E79 WeakPolarHBondContact CD-OE1 3.47Å; K43-E79 WeakPolarHBondContact CE-OE1 3.48Å; K43-E79 HydrophobicContact CG-CG 4.23Å; K43-E79 WeakPolarHBondContact CG-OE1 3.32Å; K43-E79 IonicContact NZ-OE1 3.68Å; K43-V80 CarbonylContact C-O 3.57Å; K43-V80 VanDerWaalsContact CA-O 3.32Å; K43-V80 WeakPolarHBondContact CA-O 3.45Å; K43-L81 HydrophobicContact CB-CD2 4.42Å; K43-L81 HydrophobicContact CB-CG 4.46Å; K43-L81 HydrophobicContact CD-CD2 4.01Å; K43-L81 HydrophobicContact CD-CG 4.34Å; K43-L81 HydrophobicContact CG-CD2 4.3Å; K43-L81 HydrophobicContact CG-CG 4.2Å
44R97.1Very high97.3Very high113 Ų11373.3 Ų73.343%0.42637%0.365SS..EExtended strand (participates in β ladder)trans-150.7143.4164.568.2-174.7-61.2179.7-1.2111.4V46 V80 F141 F142R44-V46 HydrophobicContact CG-CG1 3.94Å; R44-V80 HydrophobicContact CG-CB 4.11Å; R44-V80 PolarHBondContact N-O 2.72Å; R44-V80 PolarHBondContact O-N 2.91Å; R44-F141 PolarHBondContact NH1-O 3.11Å; R44-F142 HydrophobicContact CB-CE1 4.13Å; R44-F142 HydrophobicContact CB-CZ 4.24Å; R44-F142 VanDerWaalsContact CD-CE1 3.48Å; R44-F142 HydrophobicContact CG-CE1 3.74Å; R44-F142 HydrophobicContact CG-CZ 3.57Å
45R98.2Very high97.3Very high136 Ų13675 Ų7551%0.51337%0.37SS..EExtended strand (participates in β ladder)trans-94129.5165-171171-71.9-171.4-4109.3P77 I78 E79R45-P77 HydrophobicContact CG-CB 4.13Å; R45-I78 WeakPolarHBondContact CA-O 3.3Å; R45-I78 WeakPolarHBondContact CG-O 3.3Å; R45-E79 IonicContact CZ-OE2 4Å; R45-E79 IonicContact NE-OE2 3.8Å; R45-E79 PolarHBondContact NE-OE2 3.23Å; R45-E79 IonicContact NH2-OE2 3.81Å; R45-E79 PolarHBondContact NH2-OE2 3.3Å
46V97.7Very high97.3Very high22 Ų2270 Ų7013%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-139.4155.9-179.4-650000110.5R44 L48 P77 I78 V80 F141R44-V46 HydrophobicContact CG-CG1 3.94Å; V46-L48 HydrophobicContact CG2-CD2 4.29Å; V46-P77 CarbonylContact O-C 3.5Å; V46-P77 VanDerWaalsContact O-CA 3.32Å; V46-P77 WeakPolarHBondContact O-CA 3.25Å; V46-I78 HydrophobicContact CG2-CD1 3.83Å; V46-I78 HydrophobicContact CG2-CG1 3.54Å; V46-I78 PolarHBondContact N-O 3.45Å; V46-I78 WeakPolarHBondContact O-CG1 3.45Å; V46-I78 PolarHBondContact O-N 2.85Å; V46-V80 HydrophobicContact CG2-CG2 3.95Å; V46-F141 HydrophobicContact CG2-CD1 4.41Å; V46-F141 HydrophobicContact CG2-CE1 4.07Å
47H98.4Very high97.3Very high109 Ų10965.6 Ų65.651%0.50533%0.327SS..  trans-117.9109.9168.4-171.1163.8000106.8S74 G76H47-S74 PolarHBondContact NE2-O 2.94Å; H47-G76 PolarHBondContact CD2-O 3.41Å; H47-G76 PolarHBondContact NE2-N 3.3Å
48L98.3Very high97.3Very high10 Ų1066 Ų665%0.05233%0.326CS..  trans-74.7136.7-179-65-177.4000110.9V46 Q52 A53 I73 S74 I78 F140 F141V46-L48 HydrophobicContact CG2-CD2 4.29Å; L48-Q52 HydrophobicContact CB-CB 4.3Å; L48-Q52 HydrophobicContact CD2-CB 4.02Å; L48-A53 HydrophobicContact CB-CB 4.26Å; L48-A53 HydrophobicContact CD1-CB 4.4Å; L48-I73 HydrophobicContact CD1-CG2 4.01Å; L48-S74 WeakPolarHBondContact O-CA 3.3Å; L48-S74 VanDerWaalsContact O-CB 3.24Å; L48-S74 WeakPolarHBondContact O-CB 3.45Å; L48-I78 HydrophobicContact CD1-CD1 3.87Å; L48-I78 HydrophobicContact CG-CD1 4.02Å; L48-F140 HydrophobicContact CD2-CE1 4.48Å; L48-F141 HydrophobicContact CD1-CE1 4.3Å; L48-F141 HydrophobicContact CD1-CZ 4.22Å; L48-F141 HydrophobicContact CD2-CE1 4.01Å
49T98.5Very high97.1Very high59 Ų5972.3 Ų72.336%0.36236%0.355SS..  trans-68.9159.4164.3810000110E51 Q52 A53T49-E51 WeakPolarHBondContact CB-OE2 3.43Å; T49-E51 PolarHBondContact O-N 3.28Å; T49-E51 PolarHBondContact OG1-N 2.89Å; T49-E51 PolarHBondContact OG1-OE2 3Å; T49-Q52 VanDerWaalsContact N-OE1 3.08Å; T49-Q52 PolarHBondContact O-N 2.84Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; T49-Q52 PolarHBondContact OG1-N 3.36Å; T49-A53 WeakPolarHBondContact O-CB 3.34Å; T49-A53 PolarHBondContact O-N 2.86Å
50P98.2Very high97Very high64 Ų6470.1 Ų70.142%0.41634%0.342SS..Hα-helixtrans-54.1-34.7173.8-27.336.4000113.1S54 I70P50-S54 VanDerWaalsContact O-CB 3.3Å; P50-S54 WeakPolarHBondContact O-CB 3.18Å; P50-S54 PolarHBondContact O-N 3.32Å; P50-S54 PolarHBondContact O-OG 2.73Å; P50-I70 HydrophobicContact CB-CG2 4.09Å; P50-I70 VanDerWaalsContact O-CG2 3.3Å; P50-I70 WeakPolarHBondContact O-CG2 3.4Å
51E98.2Very high96.9Very high131 Ų13176.5 Ų76.561%0.61236%0.364SS*.Hα-helixtrans-66.7-48.3177.1-58.370.7-151.400111.1T49 A53 S54 E55T49-E51 WeakPolarHBondContact CB-OE2 3.43Å; T49-E51 PolarHBondContact O-N 3.28Å; T49-E51 PolarHBondContact OG1-N 2.89Å; T49-E51 PolarHBondContact OG1-OE2 3Å; E51-A53 PolarHBondContact O-N 3.35Å; E51-S54 WeakPolarHBondContact O-CB 3.33Å; E51-S54 PolarHBondContact O-N 3.42Å; E51-E55 PolarHBondContact O-N 3.42Å
52Q98.2Very high96.9Very high83 Ų8376.5 Ų76.539%0.38838%0.381SS..Hα-helixtrans-64.3-41.2177.3-66.7175.1-36.100111.8L48 T49 S54 E55 F56 F140L48-Q52 HydrophobicContact CB-CB 4.3Å; L48-Q52 HydrophobicContact CD2-CB 4.02Å; T49-Q52 VanDerWaalsContact N-OE1 3.08Å; T49-Q52 PolarHBondContact O-N 2.84Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; T49-Q52 PolarHBondContact OG1-N 3.36Å; Q52-S54 VanDerWaalsContact C-N 3.3Å; Q52-S54 PolarHBondContact O-N 3.45Å; Q52-E55 PolarHBondContact O-N 2.8Å; Q52-F56 WeakPolarHBondContact O-CB 3.22Å; Q52-F56 PolarHBondContact O-N 3.41Å; Q52-F140 HydrophobicContact CB-CZ 4.42Å; Q52-F140 WeakPolarHBondContact O-CZ 3.28Å
53A98.3Very high96.9Very high0 Ų077.7 Ų77.70%039%0.385CS..Hα-helixtrans-63.4-38.3175.100000111.4L48 T49 E51 F56 Y57 I70 I73L48-A53 HydrophobicContact CB-CB 4.26Å; L48-A53 HydrophobicContact CD1-CB 4.4Å; T49-A53 WeakPolarHBondContact O-CB 3.34Å; T49-A53 PolarHBondContact O-N 2.86Å; E51-A53 PolarHBondContact O-N 3.35Å; A53-F56 PolarHBondContact O-N 3.25Å; A53-Y57 PolarHBondContact O-N 2.85Å; A53-I70 HydrophobicContact CB-CD1 4.33Å; A53-I70 HydrophobicContact CB-CG2 4.09Å; A53-I70 WeakPolarHBondContact O-CD1 3.5Å; A53-I73 HydrophobicContact CB-CG2 4.11Å
54S97.9Very high96.8Very high36 Ų3682.4 Ų82.425%0.25241%0.411SS..Hα-helixtrans-64.3-43.5176.4-61.50000112P50 E51 Q52 Y57 A58 Y66 I70P50-S54 VanDerWaalsContact O-CB 3.3Å; P50-S54 WeakPolarHBondContact O-CB 3.18Å; P50-S54 PolarHBondContact O-N 3.32Å; P50-S54 PolarHBondContact O-OG 2.73Å; E51-S54 WeakPolarHBondContact O-CB 3.33Å; E51-S54 PolarHBondContact O-N 3.42Å; Q52-S54 VanDerWaalsContact C-N 3.3Å; Q52-S54 PolarHBondContact O-N 3.45Å; S54-Y57 CarbonylContact O-C 3.46Å; S54-A58 WeakPolarHBondContact O-CA 3.18Å; S54-A58 PolarHBondContact O-N 3.44Å; S54-A58 VanDerWaalsContact O-N 3.08Å; S54-Y66 VanDerWaalsContact CA-OH 3.26Å; S54-Y66 WeakPolarHBondContact CA-OH 3.32Å; S54-Y66 WeakPolarHBondContact CB-OH 3.24Å; S54-Y66 PolarHBondContact O-OH 2.88Å; S54-I70 WeakPolarHBondContact OG-CG2 3.39Å
55E97.6Very high96.6Very high131 Ų13180.7 Ų80.761%0.61241%0.407SS*.Hα-helixtrans-61.7-47.1175-173.6178.5-16900111.4E51 Q52 Y57 A58 F140E51-E55 PolarHBondContact O-N 3.42Å; Q52-E55 PolarHBondContact O-N 2.8Å; E55-Y57 PolarHBondContact O-N 2.93Å; E55-A58 VanDerWaalsContact O-CB 3.3Å; E55-A58 WeakPolarHBondContact O-CB 3.32Å; E55-A58 PolarHBondContact O-N 2.75Å; E55-F140 HydrophobicContact CB-CE2 4.14Å; E55-F140 HydrophobicContact CG-CE2 3.87Å
56F97.7Very high96.5Very high26 Ų2675.6 Ų75.611%0.11439%0.388CS..Hα-helixtrans-61.2-43.5179.1-176.8-101.6000112.6L15 I17 Q52 A53 A58 H126 E137 F140 F141L15-F56 HydrophobicContact CD2-CE2 4.38Å; L15-F56 HydrophobicContact CD2-CZ 4.15Å; I17-F56 HydrophobicContact CD1-CE1 3.75Å; I17-F56 HydrophobicContact CD1-CE2 4.46Å; I17-F56 HydrophobicContact CD1-CZ 3.61Å; Q52-F56 WeakPolarHBondContact O-CB 3.22Å; Q52-F56 PolarHBondContact O-N 3.41Å; A53-F56 PolarHBondContact O-N 3.25Å; F56-A58 VanDerWaalsContact C-N 3.35Å; F56-A58 PolarHBondContact O-N 2.85Å; F56-H126 AromaticContact CZ-NE2 3.84Å; F56-E137 HydrophobicContact CE2-CB 3.83Å; F56-E137 HydrophobicContact CE2-CG 3.69Å; F56-E137 HydrophobicContact CZ-CB 4.21Å; F56-E137 HydrophobicContact CZ-CG 3.82Å; F56-F140 HydrophobicContact CB-CD1 4.47Å; F56-F140 HydrophobicContact CB-CE1 4Å; F56-F140 HydrophobicContact CB-CE2 4.35Å; F56-F140 HydrophobicContact CB-CZ 3.94Å; F56-F140 HydrophobicContact CD2-CB 4.42Å; F56-F140 AromaticContact CD2-CD1 3.65Å; F56-F140 HydrophobicContact CD2-CD1 3.65Å; F56-F140 AromaticContact CD2-CE1 3.99Å; F56-F140 HydrophobicContact CD2-CE1 3.99Å; F56-F140 AromaticContact CD2-CG 3.96Å; F56-F140 HydrophobicContact CD2-CG 3.96Å; F56-F140 HydrophobicContact CE2-CD1 4.42Å; F56-F140 HydrophobicContact CG-CD1 4.45Å; F56-F140 HydrophobicContact CG-CE1 4.36Å; F56-F141 AromaticContact CD2-CE2 3.7Å; F56-F141 HydrophobicContact CD2-CE2 3.7Å; F56-F141 HydrophobicContact CD2-CZ 4.07Å; F56-F141 HydrophobicContact CE2-CD2 4.15Å; F56-F141 AromaticContact CE2-CE2 3.32Å; F56-F141 HydrophobicContact CE2-CE2 3.32Å; F56-F141 HydrophobicContact CE2-CZ 4.08Å; F56-F141 HydrophobicContact CG-CE2 4.49Å; F56-F141 HydrophobicContact CG-CZ 4.49Å; F56-F141 AromaticContact CZ-CE2 3.85Å; F56-F141 HydrophobicContact CZ-CE2 3.85Å; F56-F141 HydrophobicContact CZ-CZ 4.49Å
57Y96.1Very high96.5Very high11 Ų1178.1 Ų78.14%0.04341%0.411CS..THydrogen-bonded Turntrans-93.420.8-180-73.2-67.5000113.9A53 S54 E55 E59 H60 Y66 L69 I70 I73 H126A53-Y57 PolarHBondContact O-N 2.85Å; S54-Y57 CarbonylContact O-C 3.46Å; E55-Y57 PolarHBondContact O-N 2.93Å; Y57-E59 PolarHBondContact O-N 3.19Å; Y57-H60 AromaticContact CD1-CD2 3.78Å; Y57-H60 WeakPolarHBondContact O-CB 3.27Å; Y57-H60 PolarHBondContact O-N 3.11Å; Y57-Y66 VanDerWaalsContact O-CE2 3.27Å; Y57-Y66 WeakPolarHBondContact O-CE2 3.26Å; Y57-L69 HydrophobicContact CD1-CD2 3.86Å; Y57-L69 HydrophobicContact CD2-CD2 4.16Å; Y57-L69 HydrophobicContact CD2-CG 4.27Å; Y57-L69 HydrophobicContact CE1-CD2 4.31Å; Y57-L69 HydrophobicContact CE2-CD1 4.44Å; Y57-L69 HydrophobicContact CG-CD2 3.77Å; Y57-L69 HydrophobicContact CG-CG 4.38Å; Y57-I70 HydrophobicContact CD2-CD1 4.29Å; Y57-I73 HydrophobicContact CE2-CB 4.27Å; Y57-I73 HydrophobicContact CE2-CD1 4.27Å; Y57-I73 HydrophobicContact CE2-CG1 3.71Å; Y57-I73 HydrophobicContact CE2-CG2 4.09Å; Y57-H126 AromaticContact CE1-ND1 3.71Å; Y57-H126 PolarHBondContact OH-ND1 2.95Å
58A96Very high96.4Very high55 Ų5576.2 Ų76.246%0.45541%0.408SS..G310 helixtrans-54.4-29.4-174.100000114.2S54 E55 F56 H60 Y61S54-A58 WeakPolarHBondContact O-CA 3.18Å; S54-A58 PolarHBondContact O-N 3.44Å; S54-A58 VanDerWaalsContact O-N 3.08Å; E55-A58 VanDerWaalsContact O-CB 3.3Å; E55-A58 WeakPolarHBondContact O-CB 3.32Å; E55-A58 PolarHBondContact O-N 2.75Å; F56-A58 VanDerWaalsContact C-N 3.35Å; F56-A58 PolarHBondContact O-N 2.85Å; A58-H60 PolarHBondContact O-N 3.48Å; A58-H60 VanDerWaalsContact O-N 3.12Å; A58-Y61 WeakPolarHBondContact O-CB 3.45Å; A58-Y61 PolarHBondContact O-N 3.37Å
59E93.4Very high96.2Very high135 Ų13576.3 Ų76.363%0.63141%0.408SS*.G310 helixtrans-63.8-15.5176.1-61.7-170.3165.100113.7Y57 K136Y57-E59 PolarHBondContact O-N 3.19Å; E59-K136 IonicContact OE1-NZ 2.66Å
60H93.5Very high96.2Very high65 Ų6574 Ų7430%0.30139%0.393SS..G310 helixtrans-995.3175.4-59.9-27.2000113.4Y57 A58 G62 K63 F65 Y66Y57-H60 AromaticContact CD1-CD2 3.78Å; Y57-H60 WeakPolarHBondContact O-CB 3.27Å; Y57-H60 PolarHBondContact O-N 3.11Å; A58-H60 PolarHBondContact O-N 3.48Å; A58-H60 VanDerWaalsContact O-N 3.12Å; H60-G62 PolarHBondContact O-N 2.73Å; H60-K63 HydrophobicContact CB-CG 4.42Å; H60-K63 VanDerWaalsContact O-CB 3.28Å; H60-K63 WeakPolarHBondContact O-CB 3.18Å; H60-K63 VanDerWaalsContact O-CG 3.24Å; H60-K63 WeakPolarHBondContact O-CG 3.34Å; H60-K63 PolarHBondContact O-N 2.95Å; H60-F65 HydrophobicContact CB-CE2 4.31Å; H60-Y66 HydrophobicContact CB-CD2 3.81Å; H60-Y66 HydrophobicContact CB-CE2 4.33Å; H60-Y66 WeakPolarHBondContact O-CD2 3.47Å
61Y94.1Very high96.1Very high185 Ų18573.8 Ų73.873%0.72540%0.397SS*.THydrogen-bonded Turntrans-55.2135.3178-174.5-99000111.5A58 K63 Y66A58-Y61 WeakPolarHBondContact O-CB 3.45Å; A58-Y61 PolarHBondContact O-N 3.37Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 2.68Å; Y61-Y66 HydrophobicContact CD2-CD1 4.29Å; Y61-Y66 AromaticContact CD2-CE1 3.76Å; Y61-Y66 HydrophobicContact CD2-CE1 3.76Å; Y61-Y66 HydrophobicContact CE2-CE1 4.46Å
62G95Very high96.1Very high67 Ų6768.8 Ų68.869%0.69137%0.372SS*.THydrogen-bonded Turntrans80.6-4.2-176.700000115.6H60H60-G62 PolarHBondContact O-N 2.73Å
63K95.5Very high96.1Very high119 Ų11964.9 Ų64.952%0.51735%0.354SS..  trans-74.4145.3170.4-59.6-63.8-178.9-177.60110.5H60 Y61 F65 Y66H60-K63 HydrophobicContact CB-CG 4.42Å; H60-K63 VanDerWaalsContact O-CB 3.28Å; H60-K63 WeakPolarHBondContact O-CB 3.18Å; H60-K63 VanDerWaalsContact O-CG 3.24Å; H60-K63 WeakPolarHBondContact O-CG 3.34Å; H60-K63 PolarHBondContact O-N 2.95Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 2.68Å; K63-F65 HydrophobicContact CB-CD1 4.13Å; K63-F65 HydrophobicContact CB-CD2 4.48Å; K63-F65 HydrophobicContact CB-CE1 3.75Å; K63-F65 HydrophobicContact CB-CE2 4.12Å; K63-F65 HydrophobicContact CB-CG 4.49Å; K63-F65 HydrophobicContact CB-CZ 3.73Å; K63-F65 HydrophobicContact CG-CE1 4.22Å; K63-F65 HydrophobicContact CG-CZ 3.96Å; K63-F65 PolarHBondContact O-N 2.83Å; K63-F65 VanDerWaalsContact O-N 3.11Å; K63-Y66 WeakPolarHBondContact O-CB 3.1Å; K63-Y66 PolarHBondContact O-N 3.19Å
64I95.4Very high96Very high174 Ų17465.8 Ų65.889%0.89236%0.361SS*.THydrogen-bonded Turntrans-58.6-29.3-175.9-161166.2000113.5
65F93.3Very high96Very high77 Ų7767.8 Ų67.834%0.33838%0.375SS..THydrogen-bonded Turntrans-90.70.2179.459.2-100.8000113.8H60 K63 T68 L69H60-F65 HydrophobicContact CB-CE2 4.31Å; K63-F65 HydrophobicContact CB-CD1 4.13Å; K63-F65 HydrophobicContact CB-CD2 4.48Å; K63-F65 HydrophobicContact CB-CE1 3.75Å; K63-F65 HydrophobicContact CB-CE2 4.12Å; K63-F65 HydrophobicContact CB-CG 4.49Å; K63-F65 HydrophobicContact CB-CZ 3.73Å; K63-F65 HydrophobicContact CG-CE1 4.22Å; K63-F65 HydrophobicContact CG-CZ 3.96Å; K63-F65 PolarHBondContact O-N 2.83Å; K63-F65 VanDerWaalsContact O-N 3.11Å; F65-T68 PolarHBondContact O-N 3.13Å; F65-T68 PolarHBondContact O-OG1 2.95Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.18Å
66Y95.6Very high96Very high29 Ų2962 Ų6211%0.11435%0.35CS..Hα-helixtrans-62.3-49.7-171.7-178.8-109.2000112S54 Y57 H60 Y61 K63 T68 L69 I70S54-Y66 VanDerWaalsContact CA-OH 3.26Å; S54-Y66 WeakPolarHBondContact CA-OH 3.32Å; S54-Y66 WeakPolarHBondContact CB-OH 3.24Å; S54-Y66 PolarHBondContact O-OH 2.88Å; Y57-Y66 VanDerWaalsContact O-CE2 3.27Å; Y57-Y66 WeakPolarHBondContact O-CE2 3.26Å; H60-Y66 HydrophobicContact CB-CD2 3.81Å; H60-Y66 HydrophobicContact CB-CE2 4.33Å; H60-Y66 WeakPolarHBondContact O-CD2 3.47Å; Y61-Y66 HydrophobicContact CD2-CD1 4.29Å; Y61-Y66 AromaticContact CD2-CE1 3.76Å; Y61-Y66 HydrophobicContact CD2-CE1 3.76Å; Y61-Y66 HydrophobicContact CE2-CE1 4.46Å; K63-Y66 WeakPolarHBondContact O-CB 3.1Å; K63-Y66 PolarHBondContact O-N 3.19Å; Y66-T68 VanDerWaalsContact C-N 3.33Å; Y66-T68 PolarHBondContact O-N 3.1Å; Y66-L69 WeakPolarHBondContact O-CB 3.28Å; Y66-L69 PolarHBondContact O-N 3.16Å; Y66-L69 VanDerWaalsContact O-N 3.16Å; Y66-I70 HydrophobicContact CD1-CG1 4.37Å; Y66-I70 HydrophobicContact CD2-CD1 4.34Å; Y66-I70 HydrophobicContact CD2-CG1 4.41Å; Y66-I70 HydrophobicContact CE1-CG1 4.04Å; Y66-I70 HydrophobicContact CE2-CD1 3.8Å; Y66-I70 HydrophobicContact CE2-CG1 4.08Å; Y66-I70 WeakPolarHBondContact O-CG1 3.48Å; Y66-I70 PolarHBondContact O-N 2.81Å
67A96.6Very high96Very high75 Ų7563.3 Ų63.362%0.6236%0.361SS*.Hα-helixtrans-60.5-41.3-178.900000112.6I70 A71A67-I70 PolarHBondContact O-N 2.88Å; A67-A71 PolarHBondContact O-N 3.15Å
68T96.3Very high96.2Very high69 Ų6962.9 Ų62.942%0.42336%0.359SS..Hα-helixtrans-70-35.7177.855.70000111.8F65 Y66 A71 Y72 Q121F65-T68 PolarHBondContact O-N 3.13Å; F65-T68 PolarHBondContact O-OG1 2.95Å; Y66-T68 VanDerWaalsContact C-N 3.33Å; Y66-T68 PolarHBondContact O-N 3.1Å; T68-A71 PolarHBondContact O-N 2.8Å; T68-Y72 VanDerWaalsContact O-CB 3.26Å; T68-Y72 WeakPolarHBondContact O-CB 3.13Å; T68-Y72 PolarHBondContact O-N 3.39Å; T68-Q121 VanDerWaalsContact CB-OE1 3.27Å; T68-Q121 VanDerWaalsContact OG1-CD 3.32Å; T68-Q121 PolarHBondContact OG1-NE2 2.9Å; T68-Q121 PolarHBondContact OG1-OE1 2.68Å
69L95.6Very high96.3Very high12 Ų1260.5 Ų60.56%0.06334%0.339CS..Hα-helixtrans-60.7-46.5173173.664.5000111.6Y57 F65 Y66 Y72 I73Y57-L69 HydrophobicContact CD1-CD2 3.86Å; Y57-L69 HydrophobicContact CD2-CD2 4.16Å; Y57-L69 HydrophobicContact CD2-CG 4.27Å; Y57-L69 HydrophobicContact CE1-CD2 4.31Å; Y57-L69 HydrophobicContact CE2-CD1 4.44Å; Y57-L69 HydrophobicContact CG-CD2 3.77Å; Y57-L69 HydrophobicContact CG-CG 4.38Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.18Å; Y66-L69 WeakPolarHBondContact O-CB 3.28Å; Y66-L69 PolarHBondContact O-N 3.16Å; Y66-L69 VanDerWaalsContact O-N 3.16Å; L69-Y72 PolarHBondContact O-N 3.49Å; L69-I73 HydrophobicContact CD1-CG1 3.87Å; L69-I73 WeakPolarHBondContact O-CG1 3.32Å; L69-I73 PolarHBondContact O-N 2.97Å
70I97.6Very high96.5Very high11 Ų1154.1 Ų54.16%0.05631%0.309CS..Hα-helixtrans-63-47.6178.9-60.8-38.6000110.7P50 A53 S54 Y57 Y66 A67 Y72 I73 S74P50-I70 HydrophobicContact CB-CG2 4.09Å; P50-I70 VanDerWaalsContact O-CG2 3.3Å; P50-I70 WeakPolarHBondContact O-CG2 3.4Å; A53-I70 HydrophobicContact CB-CD1 4.33Å; A53-I70 HydrophobicContact CB-CG2 4.09Å; A53-I70 WeakPolarHBondContact O-CD1 3.5Å; S54-I70 WeakPolarHBondContact OG-CG2 3.39Å; Y57-I70 HydrophobicContact CD2-CD1 4.29Å; Y66-I70 HydrophobicContact CD1-CG1 4.37Å; Y66-I70 HydrophobicContact CD2-CD1 4.34Å; Y66-I70 HydrophobicContact CD2-CG1 4.41Å; Y66-I70 HydrophobicContact CE1-CG1 4.04Å; Y66-I70 HydrophobicContact CE2-CD1 3.8Å; Y66-I70 HydrophobicContact CE2-CG1 4.08Å; Y66-I70 WeakPolarHBondContact O-CG1 3.48Å; Y66-I70 PolarHBondContact O-N 2.81Å; A67-I70 PolarHBondContact O-N 2.88Å; I70-Y72 VanDerWaalsContact C-N 3.29Å; I70-Y72 PolarHBondContact O-N 3.19Å; I70-I73 PolarHBondContact O-N 3.39Å; I70-S74 WeakPolarHBondContact O-CB 3.32Å; I70-S74 PolarHBondContact O-N 2.99Å; I70-S74 PolarHBondContact O-OG 3.27Å
71A97.3Very high96.8Very high59 Ų5951 Ų5149%0.48830%0.295SS..Hα-helixtrans-59.5-41.3177.700000111.9A67 T68 S74 S75A67-A71 PolarHBondContact O-N 3.15Å; T68-A71 PolarHBondContact O-N 2.8Å; A71-S74 PolarHBondContact O-OG 3.08Å; A71-S75 WeakPolarHBondContact O-CB 3.37Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 VanDerWaalsContact O-N 3.13Å
72Y96.9Very high97Very high25 Ų2542.2 Ų42.210%0.09826%0.26CS..Hα-helixtrans-68.9-47.7178.9161.4-118.9000112.6K19 D21 T68 L69 I70 S74 S75 Q121 Q122K19-Y72 VanDerWaalsContact CB-OH 3.3Å; K19-Y72 WeakPolarHBondContact CB-OH 3.27Å; K19-Y72 HydrophobicContact CD-CE1 3.87Å; K19-Y72 WeakPolarHBondContact CD-OH 3.38Å; D21-Y72 HydrophobicContact CB-CE2 4.37Å; D21-Y72 PolarHBondContact OD1-OH 2.83Å; D21-Y72 PolarHBondContact OD2-OH 3.33Å; T68-Y72 VanDerWaalsContact O-CB 3.26Å; T68-Y72 WeakPolarHBondContact O-CB 3.13Å; T68-Y72 PolarHBondContact O-N 3.39Å; L69-Y72 PolarHBondContact O-N 3.49Å; I70-Y72 VanDerWaalsContact C-N 3.29Å; I70-Y72 PolarHBondContact O-N 3.19Å; Y72-S74 VanDerWaalsContact C-N 3.27Å; Y72-S74 PolarHBondContact O-N 3.36Å; Y72-S75 VanDerWaalsContact O-CB 3.26Å; Y72-S75 WeakPolarHBondContact O-CB 3.02Å; Y72-S75 PolarHBondContact O-N 3.23Å; Y72-S75 VanDerWaalsContact O-N 3.08Å; Y72-S75 PolarHBondContact O-OG 3.18Å; Y72-Q121 WeakPolarHBondContact CE1-O 3.37Å; Y72-Q122 HydrophobicContact CD2-CG 4.16Å; Y72-Q122 HydrophobicContact CE1-CG 4.47Å; Y72-Q122 HydrophobicContact CE2-CG 3.71Å
73I97.5Very high97.1Very high2 Ų239 Ų391%0.0123%0.228CC..Hα-helixtrans-66.9-31.6-179.1-69.2-69.7000112K19 L48 A53 Y57 L69 I70 S75K19-I73 HydrophobicContact CD-CD1 4.06Å; K19-I73 HydrophobicContact CG-CD1 3.92Å; L48-I73 HydrophobicContact CD1-CG2 4.01Å; A53-I73 HydrophobicContact CB-CG2 4.11Å; Y57-I73 HydrophobicContact CE2-CB 4.27Å; Y57-I73 HydrophobicContact CE2-CD1 4.27Å; Y57-I73 HydrophobicContact CE2-CG1 3.71Å; Y57-I73 HydrophobicContact CE2-CG2 4.09Å; L69-I73 HydrophobicContact CD1-CG1 3.87Å; L69-I73 WeakPolarHBondContact O-CG1 3.32Å; L69-I73 PolarHBondContact O-N 2.97Å; I70-I73 PolarHBondContact O-N 3.39Å; I73-S75 VanDerWaalsContact C-N 3.32Å
74S97.8Very high97Very high19 Ų1933.5 Ų33.513%0.13320%0.204CC..THydrogen-bonded Turntrans-85.51.3174.7600000113.9H47 L48 I70 A71 Y72 G76H47-S74 PolarHBondContact NE2-O 2.94Å; L48-S74 WeakPolarHBondContact O-CA 3.3Å; L48-S74 VanDerWaalsContact O-CB 3.24Å; L48-S74 WeakPolarHBondContact O-CB 3.45Å; I70-S74 WeakPolarHBondContact O-CB 3.32Å; I70-S74 PolarHBondContact O-N 2.99Å; I70-S74 PolarHBondContact O-OG 3.27Å; A71-S74 PolarHBondContact O-OG 3.08Å; Y72-S74 VanDerWaalsContact C-N 3.27Å; Y72-S74 PolarHBondContact O-N 3.36Å; S74-G76 VanDerWaalsContact C-N 3.28Å; S74-G76 PolarHBondContact O-N 3.26Å
75S97.7Very high96.8Very high78 Ų7829.3 Ų29.355%0.54518%0.177SC..THydrogen-bonded Turntrans-73.2-18.1-178.269.40000114.1A71 Y72 I73A71-S75 WeakPolarHBondContact O-CB 3.37Å; A71-S75 PolarHBondContact O-N 3.47Å; A71-S75 VanDerWaalsContact O-N 3.13Å; Y72-S75 VanDerWaalsContact O-CB 3.26Å; Y72-S75 WeakPolarHBondContact O-CB 3.02Å; Y72-S75 PolarHBondContact O-N 3.23Å; Y72-S75 VanDerWaalsContact O-N 3.08Å; Y72-S75 PolarHBondContact O-OG 3.18Å; I73-S75 VanDerWaalsContact C-N 3.32Å
76G97.6Very high96.7Very high9 Ų930.3 Ų30.39%0.09318%0.183CC..SBendtrans-170-176.3-177.500000113.2H47 S74H47-G76 PolarHBondContact CD2-O 3.41Å; H47-G76 PolarHBondContact NE2-N 3.3Å; S74-G76 VanDerWaalsContact C-N 3.28Å; S74-G76 PolarHBondContact O-N 3.26Å
77P98.4Very high96.6Very high53 Ų5332.3 Ų32.334%0.34420%0.195SC..  trans-69.5147.3179.229.3-34.6000111.9P20 R45 V46P20-P77 WeakPolarHBondContact CA-O 3.5Å; R45-P77 HydrophobicContact CG-CB 4.13Å; V46-P77 CarbonylContact O-C 3.5Å; V46-P77 VanDerWaalsContact O-CA 3.32Å; V46-P77 WeakPolarHBondContact O-CA 3.25Å
78I98.5Very high96.5Very high2 Ų228.8 Ų28.81%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-118.4150.8171.461.8171.4000109.9I17 I18 P20 R45 V46 L48 V80 F141I17-I78 HydrophobicContact CG2-CB 3.85Å; I17-I78 HydrophobicContact CG2-CD1 3.77Å; I17-I78 HydrophobicContact CG2-CG1 4.28Å; I17-I78 HydrophobicContact CG2-CG2 4.3Å; I18-I78 WeakPolarHBondContact O-CA 3.39Å; I18-I78 WeakPolarHBondContact O-CB 3.25Å; P20-I78 HydrophobicContact CG-CG2 3.79Å; R45-I78 WeakPolarHBondContact CA-O 3.3Å; R45-I78 WeakPolarHBondContact CG-O 3.3Å; V46-I78 HydrophobicContact CG2-CD1 3.83Å; V46-I78 HydrophobicContact CG2-CG1 3.54Å; V46-I78 PolarHBondContact N-O 3.45Å; V46-I78 WeakPolarHBondContact O-CG1 3.45Å; V46-I78 PolarHBondContact O-N 2.85Å; L48-I78 HydrophobicContact CD1-CD1 3.87Å; L48-I78 HydrophobicContact CG-CD1 4.02Å; I78-V80 HydrophobicContact CD1-CG2 3.78Å; I78-V80 HydrophobicContact CG1-CG2 4.03Å; I78-F141 HydrophobicContact CD1-CE1 4.21Å; I78-F141 HydrophobicContact CD1-CZ 4.18Å
79E98.7Very high96.5Very high6 Ų626 Ų263%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-100.1122.8168.6-158.886.6-136.300108.2I17 I18 I23 A26 K43 R45 L81I17-E79 CarbonylContact C-O 3.6Å; I17-E79 VanDerWaalsContact CA-O 3.32Å; I17-E79 WeakPolarHBondContact CA-O 3.19Å; I18-E79 HydrophobicContact CB-CB 3.89Å; I18-E79 HydrophobicContact CD1-CB 4.2Å; I18-E79 HydrophobicContact CG1-CB 4.2Å; I18-E79 PolarHBondContact N-O 3.24Å; I18-E79 PolarHBondContact O-N 3.01Å; I23-E79 HydrophobicContact CD1-CB 3.77Å; I23-E79 VanDerWaalsContact CD1-N 3.34Å; A26-E79 HydrophobicContact CB-CB 4.45Å; A26-E79 HydrophobicContact CB-CG 4.42Å; K43-E79 HydrophobicContact CD-CG 4.06Å; K43-E79 VanDerWaalsContact CD-OE1 3.25Å; K43-E79 WeakPolarHBondContact CD-OE1 3.47Å; K43-E79 WeakPolarHBondContact CE-OE1 3.48Å; K43-E79 HydrophobicContact CG-CG 4.23Å; K43-E79 WeakPolarHBondContact CG-OE1 3.32Å; K43-E79 IonicContact NZ-OE1 3.68Å; R45-E79 IonicContact CZ-OE2 4Å; R45-E79 IonicContact NE-OE2 3.8Å; R45-E79 PolarHBondContact NE-OE2 3.23Å; R45-E79 IonicContact NH2-OE2 3.81Å; R45-E79 PolarHBondContact NH2-OE2 3.3Å; E79-L81 HydrophobicContact CB-CD1 4.32Å; E79-L81 HydrophobicContact CG-CD1 3.85Å
80V98.6Very high96.6Very high0 Ų028.7 Ų28.70%017%0.168CC..EExtended strand (participates in β ladder)trans-110.3124.4179-173.60000108.7L15 I17 K43 R44 V46 I78 F141 F142L15-V80 HydrophobicContact CD1-CG1 3.65Å; L15-V80 HydrophobicContact CD2-CG1 4.2Å; L15-V80 HydrophobicContact CG-CG1 4.1Å; I17-V80 HydrophobicContact CG1-CG1 4.34Å; I17-V80 HydrophobicContact CG1-CG2 4.32Å; K43-V80 CarbonylContact C-O 3.57Å; K43-V80 VanDerWaalsContact CA-O 3.32Å; K43-V80 WeakPolarHBondContact CA-O 3.45Å; R44-V80 HydrophobicContact CG-CB 4.11Å; R44-V80 PolarHBondContact N-O 2.72Å; R44-V80 PolarHBondContact O-N 2.91Å; V46-V80 HydrophobicContact CG2-CG2 3.95Å; I78-V80 HydrophobicContact CD1-CG2 3.78Å; I78-V80 HydrophobicContact CG1-CG2 4.03Å; V80-F141 HydrophobicContact CG1-CB 4.09Å; V80-F141 HydrophobicContact CG1-CD1 4.23Å; V80-F141 HydrophobicContact CG1-CD2 3.76Å; V80-F141 HydrophobicContact CG1-CE2 4.21Å; V80-F141 HydrophobicContact CG1-CG 3.78Å; V80-F141 HydrophobicContact CG2-CD1 3.91Å; V80-F141 HydrophobicContact CG2-CE1 3.76Å; V80-F141 HydrophobicContact CG2-CE2 4.41Å; V80-F141 HydrophobicContact CG2-CG 4.3Å; V80-F141 HydrophobicContact CG2-CZ 4.04Å; V80-F142 HydrophobicContact CG1-CE2 3.86Å; V80-F142 HydrophobicContact CG1-CZ 4.34Å
81L98.6Very high96.6Very high1 Ų129.9 Ų29.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-120.9132.3178.5-63.8105.7000110.8L16 I18 E30 I40 Q42 K43 E79 I83L16-L81 HydrophobicContact CB-CB 4.48Å; L16-L81 HydrophobicContact CD2-CB 4.28Å; L16-L81 HydrophobicContact CD2-CD1 3.46Å; L16-L81 VanDerWaalsContact CD2-CD1 3.46Å; L16-L81 HydrophobicContact CD2-CG 4.42Å; L16-L81 PolarHBondContact N-O 2.98Å; L16-L81 PolarHBondContact O-N 2.66Å; I18-L81 HydrophobicContact CD1-CD1 4.02Å; I18-L81 HydrophobicContact CG1-CD1 4.17Å; E30-L81 HydrophobicContact CG-CD1 4.48Å; E30-L81 HydrophobicContact CG-CD2 3.7Å; I40-L81 HydrophobicContact CD1-CD2 3.79Å; I40-L81 HydrophobicContact CG1-CD2 4.07Å; I40-L81 HydrophobicContact CG2-CD2 3.93Å; Q42-L81 WeakPolarHBondContact O-CA 3.31Å; K43-L81 HydrophobicContact CB-CD2 4.42Å; K43-L81 HydrophobicContact CB-CG 4.46Å; K43-L81 HydrophobicContact CD-CD2 4.01Å; K43-L81 HydrophobicContact CD-CG 4.34Å; K43-L81 HydrophobicContact CG-CD2 4.3Å; K43-L81 HydrophobicContact CG-CG 4.2Å; E79-L81 HydrophobicContact CB-CD1 4.32Å; E79-L81 HydrophobicContact CG-CD1 3.85Å; L81-I83 HydrophobicContact CB-CG2 3.9Å
82V97.9Very high96.6Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-93.5116.2161.2-178.70000106.5R13 L15 I41 Q42 I138 F142 M145R13-V82 HydrophobicContact CB-CG1 4.41Å; L15-V82 HydrophobicContact CD1-CG2 4.43Å; I41-V82 HydrophobicContact CB-CB 4.37Å; I41-V82 HydrophobicContact CB-CG1 4.1Å; I41-V82 PolarHBondContact N-O 3.41Å; Q42-V82 HydrophobicContact CB-CB 4.13Å; Q42-V82 HydrophobicContact CB-CG2 4.1Å; Q42-V82 PolarHBondContact N-O 3.12Å; Q42-V82 PolarHBondContact O-N 3.47Å; V82-I138 HydrophobicContact CG1-CD1 4.12Å; V82-I138 HydrophobicContact CG2-CG1 4.32Å; V82-I138 HydrophobicContact CG2-CG2 4.29Å; V82-F142 HydrophobicContact CG2-CD2 3.42Å; V82-F142 VanDerWaalsContact CG2-CD2 3.42Å; V82-F142 HydrophobicContact CG2-CE2 3.38Å; V82-F142 HydrophobicContact CG2-CG 4.27Å; V82-F142 HydrophobicContact CG2-CZ 4.19Å; V82-M145 HydrophobicContact CB-CE 4.16Å; V82-M145 HydrophobicContact CB-SD 4.49Å; V82-M145 HydrophobicContact CG1-CE 3.62Å; V82-M145 HydrophobicContact CG1-SD 4.13Å; V82-M145 HydrophobicContact CG2-CE 3.67Å; V82-M145 HydrophobicContact CG2-SD 4.28Å
83I97.3Very high96.7Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-118.7149.8179.970.3177.8000110.9R13 T14 L16 I33 F38 L39 I40 L81 L92R13-I83 WeakPolarHBondContact CA-O 3.16Å; T14-I83 HydrophobicContact CG2-CD1 4.1Å; T14-I83 HydrophobicContact CG2-CG1 3.57Å; T14-I83 PolarHBondContact N-O 2.82Å; T14-I83 PolarHBondContact O-N 2.91Å; L16-I83 HydrophobicContact CB-CD1 4.47Å; I33-I83 HydrophobicContact CD1-CD1 4.18Å; I33-I83 HydrophobicContact CG2-CD1 4.17Å; I33-I83 HydrophobicContact CG2-CG2 4.03Å; F38-I83 HydrophobicContact CB-CB 4.34Å; F38-I83 HydrophobicContact CB-CD1 4.42Å; F38-I83 HydrophobicContact CD1-CB 4.18Å; F38-I83 HydrophobicContact CD1-CD1 3.47Å; F38-I83 VanDerWaalsContact CD1-CD1 3.47Å; F38-I83 HydrophobicContact CD1-CG1 3.78Å; F38-I83 HydrophobicContact CE1-CD1 3.73Å; F38-I83 HydrophobicContact CE1-CG1 4.23Å; F38-I83 HydrophobicContact CG-CD1 3.93Å; F38-I83 HydrophobicContact CG-CG1 4.5Å; F38-I83 HydrophobicContact CZ-CD1 4.41Å; L39-I83 CarbonylContact O-C 3.55Å; L39-I83 WeakPolarHBondContact O-CA 3.32Å; I40-I83 HydrophobicContact CG1-CG2 4.2Å; L81-I83 HydrophobicContact CB-CG2 3.9Å; I83-L92 HydrophobicContact CD1-CD1 3.97Å; I83-L92 HydrophobicContact CD1-CD2 3.88Å; I83-L92 HydrophobicContact CD1-CG 4.38Å
84A94.4Very high96.7Very high2 Ų238.9 Ų38.92%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-132.2137.9-175.500000112.5I11 E12 R13 L39 I41I11-A84 HydrophobicContact CG2-CB 3.78Å; E12-A84 WeakPolarHBondContact O-CA 3.43Å; R13-A84 HydrophobicContact CG-CB 4.1Å; L39-A84 HydrophobicContact CB-CB 4.46Å; L39-A84 PolarHBondContact N-O 2.73Å; L39-A84 PolarHBondContact O-N 2.84Å; I41-A84 HydrophobicContact CD1-CB 3.81Å; I41-A84 HydrophobicContact CG1-CB 3.62Å
85R91.9Very high96.7Very high87 Ų8739.1 Ų39.133%0.32820%0.202SC..EExtended strand (participates in β ladder)trans-165.4161.8175.4-165.6-179.4163.8-179.5-8.7109.3E12 K36 F38 N87 A88 I91E12-R85 PolarHBondContact N-O 3.39Å; E12-R85 PolarHBondContact O-N 3.2Å; E12-R85 VanDerWaalsContact O-N 3.08Å; K36-R85 PolarHBondContact O-NH1 2.99Å; F38-R85 HydrophobicContact CD1-CB 3.68Å; F38-R85 HydrophobicContact CE1-CB 3.94Å; F38-R85 HydrophobicContact CG-CB 4.32Å; R85-N87 PolarHBondContact O-N 2.88Å; R85-A88 HydrophobicContact CB-CB 4Å; R85-A88 WeakPolarHBondContact O-CB 3.3Å; R85-A88 PolarHBondContact O-N 3.5Å; R85-I91 VanDerWaalsContact CZ-CD1 3.48Å
86E90.7Very high96.7Very high98 Ų9835.5 Ų35.546%0.45818%0.176SC..EExtended strand (participates in β ladder)trans-59.1130.9157.8-173.3-179.7-16200110I9 I11 A88 I91I9-E86 HydrophobicContact CG2-CB 4.44Å; I9-E86 HydrophobicContact CG2-CG 4.36Å; I11-E86 HydrophobicContact CD1-CB 4.49Å; E86-A88 PolarHBondContact O-N 3.26Å; E86-I91 WeakPolarHBondContact O-CD1 3.34Å
87N92.5Very high96.7Very high71 Ų7135.5 Ų35.538%0.3818%0.176SC..THydrogen-bonded Turntrans55.233.8-176.1-57.5-55.9000113.6E12 R85 I89 S90 I91E12-N87 VanDerWaalsContact CD-CA 3.44Å; E12-N87 WeakPolarHBondContact OE1-CA 3.44Å; E12-N87 VanDerWaalsContact OE2-C 3.25Å; E12-N87 WeakPolarHBondContact OE2-CA 3.15Å; R85-N87 PolarHBondContact O-N 2.88Å; N87-I89 PolarHBondContact O-N 2.82Å; N87-S90 PolarHBondContact O-N 2.99Å; N87-S90 PolarHBondContact O-OG 3.47Å; N87-I91 HydrophobicContact CB-CD1 4Å; N87-I91 HydrophobicContact CB-CG1 4.21Å; N87-I91 WeakPolarHBondContact O-CB 3.06Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.24Å; N87-I91 PolarHBondContact O-N 3.38Å; N87-I91 VanDerWaalsContact O-N 3.08Å
88A95.7Very high96.6Very high0 Ų034.8 Ų34.80%017%0.172CC..Hα-helixtrans-53.3-40.6-173.600000113.1E12 T14 F38 R85 E86 L92E12-A88 HydrophobicContact CB-CB 3.83Å; E12-A88 PolarHBondContact OE2-N 2.96Å; T14-A88 HydrophobicContact CG2-CB 3.98Å; F38-A88 HydrophobicContact CD1-CB 4.39Å; F38-A88 HydrophobicContact CE1-CB 3.88Å; R85-A88 HydrophobicContact CB-CB 4Å; R85-A88 WeakPolarHBondContact O-CB 3.3Å; R85-A88 PolarHBondContact O-N 3.5Å; E86-A88 PolarHBondContact O-N 3.26Å; A88-L92 WeakPolarHBondContact O-CB 3.36Å; A88-L92 PolarHBondContact O-N 3.16Å
89I96.3Very high96.4Very high12 Ų1240.5 Ų40.56%0.06220%0.198CC..Hα-helixtrans-67.3-50.8-175.2-63170000110.7E12 N87 L92 R93 F131 A134E12-I89 PolarHBondContact OE2-N 2.89Å; E12-I89 VanDerWaalsContact OE2-N 3.11Å; N87-I89 PolarHBondContact O-N 2.82Å; I89-L92 PolarHBondContact O-N 2.82Å; I89-R93 WeakPolarHBondContact O-CB 3.47Å; I89-R93 VanDerWaalsContact O-CG 3.3Å; I89-R93 WeakPolarHBondContact O-CG 3.2Å; I89-R93 PolarHBondContact O-N 3.28Å; I89-F131 HydrophobicContact CD1-CB 4.38Å; I89-F131 HydrophobicContact CD1-CD1 3.78Å; I89-F131 HydrophobicContact CD1-CD2 4.22Å; I89-F131 HydrophobicContact CD1-CE1 4.16Å; I89-F131 HydrophobicContact CD1-CG 3.86Å; I89-A134 HydrophobicContact CD1-CB 4.27Å
90S96.6Very high96.2Very high67 Ų6742.6 Ų42.647%0.46921%0.209SC..Hα-helixtrans-66.8-43.9-177.657.80000111.6N87 L92 R93 E94N87-S90 PolarHBondContact O-N 2.99Å; N87-S90 PolarHBondContact O-OG 3.47Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 2.97Å; S90-R93 PolarHBondContact O-N 2.88Å; S90-E94 PolarHBondContact O-N 3.5Å
91I97.4Very high96Very high37 Ų3742.6 Ų42.619%0.1921%0.209CC..Hα-helixtrans-64.1-40.8178.9-64.4176.5000110.7F38 R85 E86 N87 E94 L95F38-I91 HydrophobicContact CE2-CG2 3.81Å; F38-I91 HydrophobicContact CZ-CB 4Å; F38-I91 HydrophobicContact CZ-CG2 3.62Å; R85-I91 VanDerWaalsContact CZ-CD1 3.48Å; E86-I91 WeakPolarHBondContact O-CD1 3.34Å; N87-I91 HydrophobicContact CB-CD1 4Å; N87-I91 HydrophobicContact CB-CG1 4.21Å; N87-I91 WeakPolarHBondContact O-CB 3.06Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.24Å; N87-I91 PolarHBondContact O-N 3.38Å; N87-I91 VanDerWaalsContact O-N 3.08Å; I91-E94 PolarHBondContact O-N 3.39Å; I91-L95 WeakPolarHBondContact O-CB 3.33Å; I91-L95 PolarHBondContact O-N 2.87Å
92L98.3Very high95.9Very high0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-65-43177.3-179.561.2000111T14 L16 I33 F38 I83 A88 I89 S90 E94 L95 I96 A127T14-L92 HydrophobicContact CG2-CB 4.39Å; T14-L92 HydrophobicContact CG2-CD2 3.65Å; L16-L92 HydrophobicContact CB-CD2 4.05Å; L16-L92 HydrophobicContact CD1-CD1 3.64Å; L16-L92 HydrophobicContact CD1-CD2 4.21Å; L16-L92 HydrophobicContact CD1-CG 4.44Å; I33-L92 HydrophobicContact CD1-CD1 3.9Å; F38-L92 HydrophobicContact CE1-CB 4.31Å; F38-L92 HydrophobicContact CZ-CB 4.03Å; I83-L92 HydrophobicContact CD1-CD1 3.97Å; I83-L92 HydrophobicContact CD1-CD2 3.88Å; I83-L92 HydrophobicContact CD1-CG 4.38Å; A88-L92 WeakPolarHBondContact O-CB 3.36Å; A88-L92 PolarHBondContact O-N 3.16Å; I89-L92 PolarHBondContact O-N 2.82Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 2.97Å; L92-E94 VanDerWaalsContact C-N 3.29Å; L92-E94 PolarHBondContact O-N 3.2Å; L92-L95 HydrophobicContact CD1-CD2 4.43Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-I96 HydrophobicContact CD1-CG2 3.94Å; L92-I96 HydrophobicContact CG-CG2 4.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.36Å; L92-I96 WeakPolarHBondContact O-CG2 3.32Å; L92-I96 PolarHBondContact O-N 3.44Å; L92-A127 HydrophobicContact CD2-CB 3.57Å; L92-A127 HydrophobicContact CG-CB 3.97Å
93R97.8Very high95.9Very high117 Ų11754.8 Ų54.844%0.44226%0.263SS..Hα-helixtrans-62-36.9177.5-74.2-177.770.294.9-4.8112.7I89 S90 I96 G97 D129I89-R93 WeakPolarHBondContact O-CB 3.47Å; I89-R93 VanDerWaalsContact O-CG 3.3Å; I89-R93 WeakPolarHBondContact O-CG 3.2Å; I89-R93 PolarHBondContact O-N 3.28Å; S90-R93 PolarHBondContact O-N 2.88Å; R93-I96 WeakPolarHBondContact O-CG1 3.05Å; R93-G97 PolarHBondContact O-N 3.36Å; R93-G97 VanDerWaalsContact O-N 3.12Å; R93-D129 VanDerWaalsContact NH1-CA 3.32Å
94E97.6Very high95.9Very high158 Ų15854.8 Ų54.874%0.73826%0.263SS*.Hα-helixtrans-64.8-47.9172.7-173.3-178.6171.100111.1S90 I91 L92 I96 G97S90-E94 PolarHBondContact O-N 3.5Å; I91-E94 PolarHBondContact O-N 3.39Å; L92-E94 VanDerWaalsContact C-N 3.29Å; L92-E94 PolarHBondContact O-N 3.2Å; E94-I96 PolarHBondContact O-N 2.91Å; E94-G97 PolarHBondContact O-N 2.93Å
95L98Very high96Very high24 Ų2459.1 Ų59.113%0.12628%0.281CS..Hα-helixtrans-59.9-41.7-179.8-179.164.5000112.9L32 I33 K36 I91 L92 S111 L112L32-L95 HydrophobicContact CD2-CD1 4.34Å; I33-L95 HydrophobicContact CD1-CD2 3.72Å; K36-L95 HydrophobicContact CB-CD2 4.45Å; K36-L95 HydrophobicContact CD-CD1 4.23Å; K36-L95 HydrophobicContact CG-CD1 4.05Å; K36-L95 HydrophobicContact CG-CD2 4.08Å; I91-L95 WeakPolarHBondContact O-CB 3.33Å; I91-L95 PolarHBondContact O-N 2.87Å; L92-L95 HydrophobicContact CD1-CD2 4.43Å; L92-L95 PolarHBondContact O-N 3.44Å; L95-S111 WeakPolarHBondContact O-CA 3.46Å; L95-L112 HydrophobicContact CD2-CD1 4.35Å; L95-L112 HydrophobicContact CG-CD1 4.15Å; L95-L112 PolarHBondContact O-N 3.36Å
96I97.8Very high96.3Very high1 Ų158.9 Ų58.91%0.00530%0.298CS..Hα-helixtrans-80-24.9-179.171.9-177.8000112.6L92 R93 E94 L112 R113 I125 A127L92-I96 HydrophobicContact CD1-CG2 3.94Å; L92-I96 HydrophobicContact CG-CG2 4.33Å; L92-I96 WeakPolarHBondContact O-CG1 3.36Å; L92-I96 WeakPolarHBondContact O-CG2 3.32Å; L92-I96 PolarHBondContact O-N 3.44Å; R93-I96 WeakPolarHBondContact O-CG1 3.05Å; E94-I96 PolarHBondContact O-N 2.91Å; I96-L112 HydrophobicContact CG2-CD1 4.15Å; I96-R113 WeakPolarHBondContact O-CB 3.39Å; I96-R113 WeakPolarHBondContact O-CG 3.43Å; I96-R113 PolarHBondContact O-N 3.41Å; I96-I125 HydrophobicContact CG2-CB 4.41Å; I96-I125 HydrophobicContact CG2-CD1 4.49Å; I96-I125 HydrophobicContact CG2-CG2 3.78Å; I96-A127 HydrophobicContact CD1-CB 3.44Å; I96-A127 VanDerWaalsContact CD1-CB 3.44Å
97G97.6Very high96.6Very high9 Ų958.5 Ų58.59%0.09330%0.302CS..  trans77.9-176.5-179.800000115.5R93 E94 R113R93-G97 PolarHBondContact O-N 3.36Å; R93-G97 VanDerWaalsContact O-N 3.12Å; E94-G97 PolarHBondContact O-N 2.93Å; G97-R113 PolarHBondContact O-NH1 3.04Å
98P96.2Very high96.9Very high39 Ų3956.4 Ų56.425%0.25330%0.295SS..  trans-57.7147.3-178.4-21.630.5000113.5N100 K103 A104 R113P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.44Å; P98-K103 HydrophobicContact CB-CB 4.4Å; P98-K103 HydrophobicContact CB-CD 4.2Å; P98-K103 HydrophobicContact CB-CG 4.16Å; P98-K103 HydrophobicContact CG-CG 4.31Å; P98-A104 HydrophobicContact CB-CB 4.5Å; P98-A104 HydrophobicContact CG-CB 4.41Å; P98-R113 WeakPolarHBondContact O-CD 3.35Å
99Q94.3Very high97Very high121 Ų12160 Ų6057%0.56532%0.318SS*.SBendtrans-58.5-38.1-177.8-176.9174.8-19.600113.8N123Q99-N123 WeakPolarHBondContact O-CB 3.27Å; Q99-N123 PolarHBondContact O-ND2 3.29Å
100N95.2Very high97Very high50 Ų5067.1 Ų67.127%0.26735%0.351SS..SBendtrans-80.1120.9177173.5-67.2000110P98 F102 K103 A104 D120P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.44Å; N100-F102 VanDerWaalsContact C-N 3.33Å; N100-F102 PolarHBondContact O-N 3.08Å; N100-F102 WeakPolarHBondContact OD1-CA 3.47Å; N100-F102 WeakPolarHBondContact OD1-CB 3.49Å; N100-F102 PolarHBondContact OD1-N 3.32Å; N100-K103 HydrophobicContact CB-CB 4.06Å; N100-K103 PolarHBondContact O-N 2.83Å; N100-K103 PolarHBondContact OD1-N 2.87Å; N100-A104 PolarHBondContact O-N 3.02Å; N100-D120 WeakPolarHBondContact CA-OD1 3.39Å; N100-D120 WeakPolarHBondContact CB-OD1 3.4Å; N100-D120 VanDerWaalsContact ND2-CG 3.34Å; N100-D120 PolarHBondContact ND2-OD1 3.29Å; N100-D120 PolarHBondContact ND2-OD2 2.9Å
101A94.7Very high97.1Very high0 Ų064.3 Ų64.30%033%0.331CS..Hα-helixtrans-63-36.1-174.700000112.9A104 K105 D119A101-A104 WeakPolarHBondContact O-CB 3.21Å; A101-A104 PolarHBondContact O-N 3.37Å; A101-K105 WeakPolarHBondContact O-CG 3.24Å; A101-K105 PolarHBondContact O-N 3.43Å; A101-D119 WeakPolarHBondContact CB-O 3.42Å
102F96.1Very high97.1Very high134 Ų13462.6 Ų62.659%0.58832%0.323SS*.Hα-helixtrans-66.6-41.9176.8-60.2-78.4000111.7N100 K105 A106N100-F102 VanDerWaalsContact C-N 3.33Å; N100-F102 PolarHBondContact O-N 3.08Å; N100-F102 WeakPolarHBondContact OD1-CA 3.47Å; N100-F102 WeakPolarHBondContact OD1-CB 3.49Å; N100-F102 PolarHBondContact OD1-N 3.32Å; F102-K105 PolarHBondContact O-N 2.89Å; F102-A106 PolarHBondContact O-N 3.36Å
103K97.2Very high97.1Very high124 Ų12463.7 Ų63.754%0.53933%0.327SS..Hα-helixtrans-63.9-42.3173.4-173.5175.4-179176.50110.8P98 N100 K105 A106 T107P98-K103 HydrophobicContact CB-CB 4.4Å; P98-K103 HydrophobicContact CB-CD 4.2Å; P98-K103 HydrophobicContact CB-CG 4.16Å; P98-K103 HydrophobicContact CG-CG 4.31Å; N100-K103 HydrophobicContact CB-CB 4.06Å; N100-K103 PolarHBondContact O-N 2.83Å; N100-K103 PolarHBondContact OD1-N 2.87Å; K103-K105 PolarHBondContact O-N 3.36Å; K103-A106 PolarHBondContact O-N 2.73Å; K103-T107 HydrophobicContact CG-CG2 4.26Å; K103-T107 PolarHBondContact O-N 2.77Å; K103-T107 PolarHBondContact O-OG1 3.22Å
104A97.7Very high97.1Very high0 Ų058.5 Ų58.50%031%0.309CS..Hα-helixtrans-58-47.4175.200000111.4P98 N100 A101 A106 T107 A108 R113 A114P98-A104 HydrophobicContact CB-CB 4.5Å; P98-A104 HydrophobicContact CG-CB 4.41Å; N100-A104 PolarHBondContact O-N 3.02Å; A101-A104 WeakPolarHBondContact O-CB 3.21Å; A101-A104 PolarHBondContact O-N 3.37Å; A104-A106 VanDerWaalsContact C-N 3.27Å; A104-A106 PolarHBondContact O-N 3.01Å; A104-T107 PolarHBondContact O-N 3.49Å; A104-A108 CarbonylContact O-C 3.02Å; A104-A108 WeakPolarHBondContact O-CA 3.39Å; A104-A108 PolarHBondContact O-N 2.86Å; A104-A108 VanDerWaalsContact O-O 3.06Å; A104-R113 HydrophobicContact CB-CB 3.95Å; A104-A114 HydrophobicContact CB-CB 4.04Å
105K97.2Very high97.1Very high92 Ų9255.2 Ų55.240%0.430%0.296SS..Hα-helixtrans-58.2-38.4175.5-71.4168.8-172.7168.10112.7A101 F102 K103 A114 G117A101-K105 WeakPolarHBondContact O-CG 3.24Å; A101-K105 PolarHBondContact O-N 3.43Å; F102-K105 PolarHBondContact O-N 2.89Å; K103-K105 PolarHBondContact O-N 3.36Å; K105-A114 WeakPolarHBondContact CE-O 3.44Å; K105-A114 HydrophobicContact CG-CB 4.04Å; K105-G117 WeakPolarHBondContact CE-O 3.26Å; K105-G117 PolarHBondContact NZ-O 3.45Å
106A97.7Very high97Very high82 Ų8255.6 Ų55.668%0.67830%0.296SS*.Hα-helixtrans-76.3-38-179.500000113.8F102 K103 A104F102-A106 PolarHBondContact O-N 3.36Å; K103-A106 PolarHBondContact O-N 2.73Å; A104-A106 VanDerWaalsContact C-N 3.27Å; A104-A106 PolarHBondContact O-N 3.01Å
107T97.9Very high96.9Very high90 Ų9055.6 Ų55.655%0.55230%0.296SS*.Hα-helixtrans-110-20.5-169.366.80000114.8K103 A104K103-T107 HydrophobicContact CG-CG2 4.26Å; K103-T107 PolarHBondContact O-N 2.77Å; K103-T107 PolarHBondContact O-OG1 3.22Å; A104-T107 PolarHBondContact O-N 3.49Å
108A97.6Very high96.8Very high28 Ų2858.9 Ų58.923%0.23131%0.314CS..  trans-148.466.6-177.700000109.8A104 E110 S111 A114A104-A108 CarbonylContact O-C 3.02Å; A104-A108 WeakPolarHBondContact O-CA 3.39Å; A104-A108 PolarHBondContact O-N 2.86Å; A104-A108 VanDerWaalsContact O-O 3.06Å; A108-E110 PolarHBondContact O-N 2.7Å; A108-E110 VanDerWaalsContact O-N 3.12Å; A108-S111 WeakPolarHBondContact O-CB 3.42Å; A108-S111 PolarHBondContact O-N 2.97Å; A108-S111 PolarHBondContact O-OG 3.49Å; A108-A114 VanDerWaalsContact O-CB 3.3Å; A108-A114 WeakPolarHBondContact O-CB 3.39Å
109P97.6Very high96.6Very high75 Ų7559.4 Ų59.449%0.48732%0.315SS..THydrogen-bonded Turntrans-60.9-25.2-169.823.4-34.3000114.2S111 A114P109-S111 VanDerWaalsContact C-N 3.32Å; P109-A114 VanDerWaalsContact O-CB 3.31Å; P109-A114 WeakPolarHBondContact O-CB 3.47Å
110E97.2Very high96.3Very high162 Ų16257.4 Ų57.476%0.75731%0.308SS*.THydrogen-bonded Turntrans-86-0.7177-56.5-56.2131.900113.6A108 I115A108-E110 PolarHBondContact O-N 2.7Å; A108-E110 VanDerWaalsContact O-N 3.12Å; E110-I115 WeakPolarHBondContact O-CD1 3.3Å
111S98Very high96Very high7 Ų757.8 Ų57.85%0.04931%0.308CS..SBendtrans-75.7153.7-179.468.40000112.1L95 A108 P109 R113 A114 I115L95-S111 WeakPolarHBondContact O-CA 3.46Å; A108-S111 WeakPolarHBondContact O-CB 3.42Å; A108-S111 PolarHBondContact O-N 2.97Å; A108-S111 PolarHBondContact O-OG 3.49Å; P109-S111 VanDerWaalsContact C-N 3.32Å; S111-R113 VanDerWaalsContact C-N 3.27Å; S111-R113 PolarHBondContact O-N 2.78Å; S111-A114 WeakPolarHBondContact O-CA 3.32Å; S111-A114 WeakPolarHBondContact O-CB 3.49Å; S111-A114 PolarHBondContact O-N 2.83Å; S111-A114 WeakPolarHBondContact OG-CB 3.3Å; S111-A114 PolarHBondContact OG-N 3Å; S111-I115 WeakPolarHBondContact O-CG1 3.45Å; S111-I115 PolarHBondContact O-N 3.48Å
112L97.8Very high95.9Very high2 Ų261.5 Ų61.51%0.0133%0.326CS..Hα-helixtrans-59.8-36.7-178-67.8169.6000112.8I29 L32 L95 I96 A114 I115 Y116 I125I29-L112 HydrophobicContact CG1-CD2 4.34Å; I29-L112 HydrophobicContact CG2-CD1 4.31Å; L32-L112 HydrophobicContact CD2-CD1 4.38Å; L32-L112 HydrophobicContact CD2-CD2 3.73Å; L32-L112 HydrophobicContact CD2-CG 4.28Å; L95-L112 HydrophobicContact CD2-CD1 4.35Å; L95-L112 HydrophobicContact CG-CD1 4.15Å; L95-L112 PolarHBondContact O-N 3.36Å; I96-L112 HydrophobicContact CG2-CD1 4.15Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-I115 PolarHBondContact O-N 2.67Å; L112-Y116 HydrophobicContact CB-CD2 4.42Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 3.53Å; L112-Y116 WeakPolarHBondContact O-CB 3.47Å; L112-Y116 WeakPolarHBondContact O-CD2 3.38Å; L112-Y116 PolarHBondContact O-N 3.25Å; L112-I125 HydrophobicContact CB-CD1 3.64Å; L112-I125 HydrophobicContact CD1-CD1 3.46Å; L112-I125 VanDerWaalsContact CD1-CD1 3.46Å; L112-I125 HydrophobicContact CD2-CD1 4.48Å; L112-I125 HydrophobicContact CG-CD1 4.03Å
113R97.7Very high95.8Very high22 Ų2255.3 Ų55.38%0.08330%0.299CS..Hα-helixtrans-70.2-28.5175-68.5179.3172.1152.5-6.5113I96 G97 P98 A104 S111 G117 N123 I125I96-R113 WeakPolarHBondContact O-CB 3.39Å; I96-R113 WeakPolarHBondContact O-CG 3.43Å; I96-R113 PolarHBondContact O-N 3.41Å; G97-R113 PolarHBondContact O-NH1 3.04Å; P98-R113 WeakPolarHBondContact O-CD 3.35Å; A104-R113 HydrophobicContact CB-CB 3.95Å; S111-R113 VanDerWaalsContact C-N 3.27Å; S111-R113 PolarHBondContact O-N 2.78Å; R113-G117 VanDerWaalsContact O-CA 3.22Å; R113-G117 WeakPolarHBondContact O-CA 3.38Å; R113-G117 PolarHBondContact O-N 3.21Å; R113-N123 HydrophobicContact CG-CB 4.16Å; R113-N123 WeakPolarHBondContact CG-O 3.2Å; R113-I125 PolarHBondContact NE-O 3.08Å; R113-I125 PolarHBondContact NH2-O 3Å
114A97.5Very high95.7Very high8 Ų849.4 Ų49.47%0.06627%0.273CS..Hα-helixtrans-72.6-42.4174.200000111.9A104 K105 A108 P109 S111 L112A104-A114 HydrophobicContact CB-CB 4.04Å; K105-A114 WeakPolarHBondContact CE-O 3.44Å; K105-A114 HydrophobicContact CG-CB 4.04Å; A108-A114 VanDerWaalsContact O-CB 3.3Å; A108-A114 WeakPolarHBondContact O-CB 3.39Å; P109-A114 VanDerWaalsContact O-CB 3.31Å; P109-A114 WeakPolarHBondContact O-CB 3.47Å; S111-A114 WeakPolarHBondContact O-CA 3.32Å; S111-A114 WeakPolarHBondContact O-CB 3.49Å; S111-A114 PolarHBondContact O-N 2.83Å; S111-A114 WeakPolarHBondContact OG-CB 3.3Å; S111-A114 PolarHBondContact OG-N 3Å; L112-A114 VanDerWaalsContact C-N 3.33Å
115I97.5Very high95.7Very high90 Ų9049.4 Ų49.446%0.46227%0.273SS..Hα-helixtrans-71.5-46.2-177.7-64.3168.1000111.3E110 S111 L112E110-I115 WeakPolarHBondContact O-CD1 3.3Å; S111-I115 WeakPolarHBondContact O-CG1 3.45Å; S111-I115 PolarHBondContact O-N 3.48Å; L112-I115 PolarHBondContact O-N 2.67Å
116Y97.2Very high95.7Very high32 Ų3246.4 Ų46.413%0.12526%0.26CS..Hα-helixtrans-108.5-20.4-169.8-59.2-69.4000114.4I22 Y25 I29 L112I22-Y116 HydrophobicContact CD1-CG 4.42Å; I22-Y116 HydrophobicContact CG2-CG 4.47Å; Y25-Y116 AromaticContact CD1-CE1 3.85Å; Y25-Y116 HydrophobicContact CD1-CE1 3.85Å; Y25-Y116 AromaticContact CD2-CD1 3.93Å; Y25-Y116 HydrophobicContact CD2-CD1 3.93Å; Y25-Y116 AromaticContact CD2-CE1 3.96Å; Y25-Y116 HydrophobicContact CD2-CE1 3.96Å; Y25-Y116 HydrophobicContact CE1-CE1 4.3Å; Y25-Y116 HydrophobicContact CE2-CD1 4.26Å; Y25-Y116 HydrophobicContact CE2-CE1 4.4Å; Y25-Y116 HydrophobicContact CG-CD1 4.11Å; Y25-Y116 AromaticContact CG-CE1 3.66Å; Y25-Y116 HydrophobicContact CG-CE1 3.66Å; I29-Y116 HydrophobicContact CD1-CD2 4.41Å; I29-Y116 HydrophobicContact CD1-CE2 4.21Å; I29-Y116 HydrophobicContact CG1-CE2 4.05Å; L112-Y116 HydrophobicContact CB-CD2 4.42Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 3.53Å; L112-Y116 WeakPolarHBondContact O-CB 3.47Å; L112-Y116 WeakPolarHBondContact O-CD2 3.38Å; L112-Y116 PolarHBondContact O-N 3.25Å
117G96.1Very high95.7Very high1 Ų142.9 Ų42.91%0.0123%0.231CC..  trans-78.6140.2-175.700000114K105 R113 Q122K105-G117 WeakPolarHBondContact CE-O 3.26Å; K105-G117 PolarHBondContact NZ-O 3.45Å; R113-G117 VanDerWaalsContact O-CA 3.22Å; R113-G117 WeakPolarHBondContact O-CA 3.38Å; R113-G117 PolarHBondContact O-N 3.21Å; G117-Q122 CarbonylContact C-O 3.53Å; G117-Q122 WeakPolarHBondContact CA-O 3.41Å
118T94.6Very high95.7Very high77 Ų7738.6 Ų38.647%0.47221%0.205SC..  trans-106.2-33.3176.455.40000112.9Q122T118-Q122 PolarHBondContact N-O 3.25Å; T118-Q122 WeakPolarHBondContact OG1-CB 3.44Å; T118-Q122 PolarHBondContact OG1-O 3.29Å
119D92.2Very high95.6Very high51 Ų5141.7 Ų41.727%0.27322%0.218SC..SBendtrans-151.5-166.6179.265.560.3000111.9A101 Q121 Q122 N123A101-D119 WeakPolarHBondContact CB-O 3.42Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.11Å; D119-Q121 PolarHBondContact OD1-N 2.88Å; D119-Q122 PolarHBondContact N-O 3.23Å; D119-Q122 CarbonylContact O-C 3.59Å; D119-Q122 PolarHBondContact OD1-N 2.92Å; D119-N123 PolarHBondContact O-N 3.49Å
120D88Confident95.4Very high78 Ų7840.3 Ų40.342%0.41721%0.21SC..SBendtrans-73.7-29-176.9-73.6-8.3000114.1N100 N123N100-D120 WeakPolarHBondContact CA-OD1 3.39Å; N100-D120 WeakPolarHBondContact CB-OD1 3.4Å; N100-D120 VanDerWaalsContact ND2-CG 3.34Å; N100-D120 PolarHBondContact ND2-OD1 3.29Å; N100-D120 PolarHBondContact ND2-OD2 2.9Å; D120-N123 PolarHBondContact O-ND2 2.67Å
121Q87.6Confident95.2Very high59 Ų5936.5 Ų36.528%0.27619%0.191SC..SBendtrans-90.4-50.7178.1-60.7-174.628.500109.7K19 T68 Y72 D119 N123K19-Q121 PolarHBondContact NZ-O 3.06Å; T68-Q121 VanDerWaalsContact CB-OE1 3.27Å; T68-Q121 VanDerWaalsContact OG1-CD 3.32Å; T68-Q121 PolarHBondContact OG1-NE2 2.9Å; T68-Q121 PolarHBondContact OG1-OE1 2.68Å; Y72-Q121 WeakPolarHBondContact CE1-O 3.37Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.11Å; D119-Q121 PolarHBondContact OD1-N 2.88Å; Q121-N123 PolarHBondContact O-N 3.46Å; Q121-N123 VanDerWaalsContact O-N 3.07Å
122Q93.4Very high94.9Very high78 Ų7840.2 Ų40.236%0.36421%0.214SC..  trans-84.258.7173.9-59.5-175.463.600110.7Y72 G117 T118 D119 G124Y72-Q122 HydrophobicContact CD2-CG 4.16Å; Y72-Q122 HydrophobicContact CE1-CG 4.47Å; Y72-Q122 HydrophobicContact CE2-CG 3.71Å; G117-Q122 CarbonylContact C-O 3.53Å; G117-Q122 WeakPolarHBondContact CA-O 3.41Å; T118-Q122 PolarHBondContact N-O 3.25Å; T118-Q122 WeakPolarHBondContact OG1-CB 3.44Å; T118-Q122 PolarHBondContact OG1-O 3.29Å; D119-Q122 PolarHBondContact N-O 3.23Å; D119-Q122 CarbonylContact O-C 3.59Å; D119-Q122 PolarHBondContact OD1-N 2.92Å; Q122-G124 VanDerWaalsContact C-N 3.31Å
123N94.4Very high94.8Very high3 Ų340.6 Ų40.62%0.01622%0.216CC..  trans-93.69.9172.465.29.9000112.2K19 Q99 R113 D119 D120 Q121 I125K19-N123 PolarHBondContact NZ-OD1 2.86Å; Q99-N123 WeakPolarHBondContact O-CB 3.27Å; Q99-N123 PolarHBondContact O-ND2 3.29Å; R113-N123 HydrophobicContact CG-CB 4.16Å; R113-N123 WeakPolarHBondContact CG-O 3.2Å; D119-N123 PolarHBondContact O-N 3.49Å; D120-N123 PolarHBondContact O-ND2 2.67Å; Q121-N123 PolarHBondContact O-N 3.46Å; Q121-N123 VanDerWaalsContact O-N 3.07Å; N123-I125 PolarHBondContact O-N 2.84Å; N123-I125 PolarHBondContact OD1-O 3.49Å
124G95Very high94.7Very high0 Ų039.6 Ų39.60%021%0.212CC..SBendtrans73.2-37.8174.500000117K19 D21 I22 Q122K19-G124 VanDerWaalsContact CB-O 3.24Å; K19-G124 WeakPolarHBondContact CB-O 3.33Å; K19-G124 WeakPolarHBondContact CG-O 3.29Å; K19-G124 PolarHBondContact N-O 3.3Å; D21-G124 WeakPolarHBondContact OD2-CA 3.2Å; D21-G124 PolarHBondContact OD2-N 3.5Å; I22-G124 VanDerWaalsContact CD1-CA 3.48Å; I22-G124 VanDerWaalsContact CD1-O 3.22Å; I22-G124 WeakPolarHBondContact CD1-O 3.38Å; I22-G124 WeakPolarHBondContact CG1-O 3.4Å; Q122-G124 VanDerWaalsContact C-N 3.31Å
125I97Very high94.5Very high1 Ų142.3 Ų42.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-133.6132.5-172.4-57.7-170.8000113L16 I17 I22 I29 I96 L112 R113 N123L16-I125 HydrophobicContact CD1-CD1 4.48Å; L16-I125 HydrophobicContact CD1-CG2 3.72Å; L16-I125 HydrophobicContact CG-CG2 4.02Å; I17-I125 WeakPolarHBondContact O-CA 3.48Å; I22-I125 HydrophobicContact CD1-CD1 4.36Å; I22-I125 HydrophobicContact CD1-CG1 3.75Å; I29-I125 HydrophobicContact CD1-CD1 4.29Å; I29-I125 HydrophobicContact CG2-CD1 4.15Å; I96-I125 HydrophobicContact CG2-CB 4.41Å; I96-I125 HydrophobicContact CG2-CD1 4.49Å; I96-I125 HydrophobicContact CG2-CG2 3.78Å; L112-I125 HydrophobicContact CB-CD1 3.64Å; L112-I125 HydrophobicContact CD1-CD1 3.46Å; L112-I125 VanDerWaalsContact CD1-CD1 3.46Å; L112-I125 HydrophobicContact CD2-CD1 4.48Å; L112-I125 HydrophobicContact CG-CD1 4.03Å; R113-I125 PolarHBondContact NE-O 3.08Å; R113-I125 PolarHBondContact NH2-O 3Å; N123-I125 PolarHBondContact O-N 2.84Å; N123-I125 PolarHBondContact OD1-O 3.49Å
126H97.5Very high94.3Very high28 Ų2843.8 Ų43.813%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-101.1142.3163.1169.8103.9000110.2I17 F56 Y57 E137I17-H126 HydrophobicContact CB-CB 4.12Å; I17-H126 PolarHBondContact N-O 3.02Å; I17-H126 PolarHBondContact O-N 3.34Å; F56-H126 AromaticContact CZ-NE2 3.84Å; Y57-H126 AromaticContact CE1-ND1 3.71Å; Y57-H126 PolarHBondContact OH-ND1 2.95Å; H126-E137 IonicContact CD2-OE2 2.95Å; H126-E137 IonicContact CE1-OE1 2.7Å; H126-E137 IonicContact CE1-OE2 3.34Å; H126-E137 IonicContact NE2-OE1 2.86Å; H126-E137 PolarHBondContact NE2-OE1 2.6Å; H126-E137 IonicContact NE2-OE2 3.2Å; H126-E137 PolarHBondContact NE2-OE2 3.36Å
127A97.8Very high94.4Very high9 Ų943.6 Ų43.67%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-144.6142.4171.500000109.7L15 L92 I96L15-A127 WeakPolarHBondContact O-CA 3.32Å; L92-A127 HydrophobicContact CD2-CB 3.57Å; L92-A127 HydrophobicContact CG-CB 3.97Å; I96-A127 HydrophobicContact CD1-CB 3.44Å; I96-A127 VanDerWaalsContact CD1-CB 3.44Å
128S97.5Very high94.4Very high0 Ų043.5 Ų43.50%023%0.227CC..  trans-58.2147.5176.9-41.60000111.4L15 A134 E137L15-S128 WeakPolarHBondContact CB-OG 3.3Å; L15-S128 PolarHBondContact N-OG 2.93Å; L15-S128 PolarHBondContact O-N 2.92Å; S128-A134 WeakPolarHBondContact OG-CA 3.28Å; S128-E137 WeakPolarHBondContact CB-OE2 3.26Å; S128-E137 PolarHBondContact OG-OE2 3.34Å
129D95.2Very high94.4Very high93 Ų9345.6 Ų45.650%0.49723%0.226SC..SBendtrans-100-14.6-174.572.8-5.7000115.1R93 S133R93-D129 VanDerWaalsContact NH1-CA 3.32Å; D129-S133 PolarHBondContact N-OG 2.98Å; D129-S133 VanDerWaalsContact N-OG 3.08Å; D129-S133 WeakPolarHBondContact OD1-CB 3.43Å; D129-S133 PolarHBondContact OD1-OG 3.08Å
130S94.5Very high94.6Very high45 Ų4546.1 Ų46.132%0.31523%0.226SC..SBendtrans-157.6164.9-173.162.50000109.8T132 S133 A134S130-T132 PolarHBondContact O-N 3Å; S130-S133 PolarHBondContact N-OG 3.03Å; S130-S133 PolarHBondContact O-N 2.87Å; S130-S133 PolarHBondContact O-OG 3.12Å; S130-S133 PolarHBondContact OG-N 3.02Å; S130-S133 PolarHBondContact OG-OG 2.58Å; S130-A134 WeakPolarHBondContact O-CB 3.47Å; S130-A134 PolarHBondContact O-N 3.34Å
131F92.3Very high95.1Very high82 Ų8242.7 Ų42.736%0.3621%0.207SC..Hα-helixtrans-58.9-40175.6-73.3-80.8000112.1E12 I89 A134 E135E12-F131 HydrophobicContact CB-CE1 3.91Å; E12-F131 VanDerWaalsContact CD-CE1 3.48Å; E12-F131 HydrophobicContact CG-CE1 3.52Å; E12-F131 HydrophobicContact CG-CZ 3.74Å; E12-F131 WeakPolarHBondContact OE1-CZ 3.37Å; I89-F131 HydrophobicContact CD1-CB 4.38Å; I89-F131 HydrophobicContact CD1-CD1 3.78Å; I89-F131 HydrophobicContact CD1-CD2 4.22Å; I89-F131 HydrophobicContact CD1-CE1 4.16Å; I89-F131 HydrophobicContact CD1-CG 3.86Å; F131-A134 PolarHBondContact O-N 3.18Å; F131-E135 WeakPolarHBondContact O-CB 3.45Å; F131-E135 PolarHBondContact O-N 3.02Å
132T92.2Very high95.5Very high86 Ų8640.8 Ų40.853%0.52820%0.198SC..Hα-helixtrans-67.2-41.9-179.2-49.70000111.5S130 K136S130-T132 PolarHBondContact O-N 3Å; T132-K136 WeakPolarHBondContact O-CG 3.35Å; T132-K136 PolarHBondContact O-N 3.08Å
133S95.2Very high95.4Very high9 Ų941.4 Ų41.46%0.06321%0.209CC..Hα-helixtrans-67.8-44.8174.456.50000110.9D129 S130 E135 K136 E137D129-S133 PolarHBondContact N-OG 2.98Å; D129-S133 VanDerWaalsContact N-OG 3.08Å; D129-S133 WeakPolarHBondContact OD1-CB 3.43Å; D129-S133 PolarHBondContact OD1-OG 3.08Å; S130-S133 PolarHBondContact N-OG 3.03Å; S130-S133 PolarHBondContact O-N 2.87Å; S130-S133 PolarHBondContact O-OG 3.12Å; S130-S133 PolarHBondContact OG-N 3.02Å; S130-S133 PolarHBondContact OG-OG 2.58Å; S133-E135 VanDerWaalsContact C-N 3.32Å; S133-E135 PolarHBondContact O-N 3.27Å; S133-K136 PolarHBondContact O-N 3.15Å; S133-E137 VanDerWaalsContact O-CB 3.24Å; S133-E137 WeakPolarHBondContact O-CB 3.38Å; S133-E137 WeakPolarHBondContact O-CG 3.47Å; S133-E137 PolarHBondContact O-N 3.38Å
134A95.8Very high95.1Very high1 Ų149.1 Ų49.11%0.00825%0.25CS..Hα-helixtrans-54.2-47.7175.300000112I89 S128 S130 F131 K136 I138I89-A134 HydrophobicContact CD1-CB 4.27Å; S128-A134 WeakPolarHBondContact OG-CA 3.28Å; S130-A134 WeakPolarHBondContact O-CB 3.47Å; S130-A134 PolarHBondContact O-N 3.34Å; F131-A134 PolarHBondContact O-N 3.18Å; A134-K136 PolarHBondContact O-N 3.11Å; A134-I138 WeakPolarHBondContact O-CB 3.3Å; A134-I138 WeakPolarHBondContact O-CD1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.22Å; A134-I138 PolarHBondContact O-N 3.28Å
135E93.3Very high94.5Very high66 Ų6650.8 Ų50.831%0.30826%0.258SS..Hα-helixtrans-60.5-47.5179-175.3179-164.500112.8F131 S133 R139 V147F131-E135 WeakPolarHBondContact O-CB 3.45Å; F131-E135 PolarHBondContact O-N 3.02Å; S133-E135 VanDerWaalsContact C-N 3.32Å; S133-E135 PolarHBondContact O-N 3.27Å; E135-R139 VanDerWaalsContact CD-NH1 3.28Å; E135-R139 WeakPolarHBondContact O-CB 3.25Å; E135-R139 WeakPolarHBondContact O-CG 3.43Å; E135-R139 PolarHBondContact O-N 3.09Å; E135-R139 VanDerWaalsContact O-N 3.08Å; E135-R139 IonicContact OE1-CZ 3.06Å; E135-R139 IonicContact OE1-NH1 2.83Å; E135-R139 PolarHBondContact OE1-NH1 2.88Å; E135-R139 IonicContact OE1-NH2 2.68Å; E135-R139 PolarHBondContact OE1-NH2 3.12Å; E135-V147 HydrophobicContact CB-CG1 4.27Å; E135-V147 HydrophobicContact CG-CB 4.13Å; E135-V147 HydrophobicContact CG-CG1 4.27Å
136K94.4Very high93.5Very high121 Ų12156 Ų5653%0.52629%0.286SS..Hα-helixtrans-63.6-50.2178-73177.2179.5-178.70111.9E59 T132 S133 A134 I138 R139 F140E59-K136 IonicContact OE1-NZ 2.66Å; T132-K136 WeakPolarHBondContact O-CG 3.35Å; T132-K136 PolarHBondContact O-N 3.08Å; S133-K136 PolarHBondContact O-N 3.15Å; A134-K136 PolarHBondContact O-N 3.11Å; K136-I138 VanDerWaalsContact C-N 3.33Å; K136-I138 PolarHBondContact O-N 3.41Å; K136-R139 PolarHBondContact O-N 3.21Å; K136-F140 PolarHBondContact O-N 3.08Å
137E97.4Very high92.3Very high27 Ų2755.1 Ų55.113%0.12628%0.283CS..Hα-helixtrans-64-40.1-177.2-69.9176.1-166.400111.2L15 F56 H126 S128 S133 F140 F141L15-E137 HydrophobicContact CB-CB 4.32Å; L15-E137 HydrophobicContact CD2-CB 3.96Å; F56-E137 HydrophobicContact CE2-CB 3.83Å; F56-E137 HydrophobicContact CE2-CG 3.69Å; F56-E137 HydrophobicContact CZ-CB 4.21Å; F56-E137 HydrophobicContact CZ-CG 3.82Å; H126-E137 IonicContact CD2-OE2 2.95Å; H126-E137 IonicContact CE1-OE1 2.7Å; H126-E137 IonicContact CE1-OE2 3.34Å; H126-E137 IonicContact NE2-OE1 2.86Å; H126-E137 PolarHBondContact NE2-OE1 2.6Å; H126-E137 IonicContact NE2-OE2 3.2Å; H126-E137 PolarHBondContact NE2-OE2 3.36Å; S128-E137 WeakPolarHBondContact CB-OE2 3.26Å; S128-E137 PolarHBondContact OG-OE2 3.34Å; S133-E137 VanDerWaalsContact O-CB 3.24Å; S133-E137 WeakPolarHBondContact O-CB 3.38Å; S133-E137 WeakPolarHBondContact O-CG 3.47Å; S133-E137 PolarHBondContact O-N 3.38Å; E137-F140 WeakPolarHBondContact O-CB 3.28Å; E137-F140 PolarHBondContact O-N 2.98Å; E137-F141 WeakPolarHBondContact O-CD2 3.49Å; E137-F141 PolarHBondContact O-N 3.16Å
138I97Very high90.9Very high0 Ų056.8 Ų56.80%030%0.297CS..Hα-helixtrans-63.2-47.4174.7-74.4170.4000111R13 L15 V82 A134 K136 F140 F141 F142 M145 V147R13-I138 HydrophobicContact CB-CD1 4.1Å; L15-I138 HydrophobicContact CB-CG1 4.14Å; L15-I138 HydrophobicContact CD1-CG1 3.82Å; V82-I138 HydrophobicContact CG1-CD1 4.12Å; V82-I138 HydrophobicContact CG2-CG1 4.32Å; V82-I138 HydrophobicContact CG2-CG2 4.29Å; A134-I138 WeakPolarHBondContact O-CB 3.3Å; A134-I138 WeakPolarHBondContact O-CD1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.22Å; A134-I138 PolarHBondContact O-N 3.28Å; K136-I138 VanDerWaalsContact C-N 3.33Å; K136-I138 PolarHBondContact O-N 3.41Å; I138-F140 PolarHBondContact O-N 3.28Å; I138-F141 PolarHBondContact O-N 3.36Å; I138-F142 WeakPolarHBondContact O-CA 3.23Å; I138-F142 PolarHBondContact O-N 3.12Å; I138-M145 HydrophobicContact CB-CE 4.37Å; I138-M145 HydrophobicContact CG2-CE 2.95Å; I138-V147 HydrophobicContact CB-CG1 3.95Å; I138-V147 HydrophobicContact CB-CG2 4.16Å; I138-V147 HydrophobicContact CD1-CG1 3.55Å; I138-V147 HydrophobicContact CG1-CG1 4.34Å; I138-V147 HydrophobicContact CG2-CB 4.3Å; I138-V147 HydrophobicContact CG2-CG1 3.83Å; I138-V147 HydrophobicContact CG2-CG2 3.47Å; I138-V147 VanDerWaalsContact CG2-CG2 3.47Å
139R95.3Very high89.2Confident120 Ų12059.9 Ų59.945%0.45332%0.316SS..Hα-helixtrans-61.6-32.9177.9-78.5-177.6176.6133.19.2112.6E135 K136 F141 P143 V147E135-R139 VanDerWaalsContact CD-NH1 3.28Å; E135-R139 WeakPolarHBondContact O-CB 3.25Å; E135-R139 WeakPolarHBondContact O-CG 3.43Å; E135-R139 PolarHBondContact O-N 3.09Å; E135-R139 VanDerWaalsContact O-N 3.08Å; E135-R139 IonicContact OE1-CZ 3.06Å; E135-R139 IonicContact OE1-NH1 2.83Å; E135-R139 PolarHBondContact OE1-NH1 2.88Å; E135-R139 IonicContact OE1-NH2 2.68Å; E135-R139 PolarHBondContact OE1-NH2 3.12Å; K136-R139 PolarHBondContact O-N 3.21Å; R139-F141 VanDerWaalsContact C-N 3.34Å; R139-F141 PolarHBondContact O-N 2.84Å; R139-P143 VanDerWaalsContact O-CA 3.26Å; R139-P143 WeakPolarHBondContact O-CA 3.43Å; R139-V147 HydrophobicContact CG-CG2 3.99Å
140F96.4Very high87.6Confident63 Ų6358.4 Ų58.428%0.27631%0.308SS..Hα-helixtrans-59.6-44.4175.4-178.5-88.8000111.8L48 Q52 E55 F56 K136 E137 I138L48-F140 HydrophobicContact CD2-CE1 4.48Å; Q52-F140 HydrophobicContact CB-CZ 4.42Å; Q52-F140 WeakPolarHBondContact O-CZ 3.28Å; E55-F140 HydrophobicContact CB-CE2 4.14Å; E55-F140 HydrophobicContact CG-CE2 3.87Å; F56-F140 HydrophobicContact CB-CD1 4.47Å; F56-F140 HydrophobicContact CB-CE1 4Å; F56-F140 HydrophobicContact CB-CE2 4.35Å; F56-F140 HydrophobicContact CB-CZ 3.94Å; F56-F140 HydrophobicContact CD2-CB 4.42Å; F56-F140 AromaticContact CD2-CD1 3.65Å; F56-F140 HydrophobicContact CD2-CD1 3.65Å; F56-F140 AromaticContact CD2-CE1 3.99Å; F56-F140 HydrophobicContact CD2-CE1 3.99Å; F56-F140 AromaticContact CD2-CG 3.96Å; F56-F140 HydrophobicContact CD2-CG 3.96Å; F56-F140 HydrophobicContact CE2-CD1 4.42Å; F56-F140 HydrophobicContact CG-CD1 4.45Å; F56-F140 HydrophobicContact CG-CE1 4.36Å; K136-F140 PolarHBondContact O-N 3.08Å; E137-F140 WeakPolarHBondContact O-CB 3.28Å; E137-F140 PolarHBondContact O-N 2.98Å; I138-F140 PolarHBondContact O-N 3.28Å
141F97.1Very high86Confident5 Ų557 Ų572%0.02230%0.298CS..Hα-helixtrans-90.3-25.4-178.6-70.1-73.3000114.7L15 I17 R44 V46 L48 F56 I78 V80 E137 I138 R139L15-F141 HydrophobicContact CD1-CD2 4.11Å; L15-F141 HydrophobicContact CD2-CD2 3.83Å; L15-F141 HydrophobicContact CD2-CE2 3.76Å; I17-F141 HydrophobicContact CD1-CE2 3.78Å; I17-F141 HydrophobicContact CD1-CZ 3.96Å; I17-F141 HydrophobicContact CG1-CE2 4.49Å; R44-F141 PolarHBondContact NH1-O 3.11Å; V46-F141 HydrophobicContact CG2-CD1 4.41Å; V46-F141 HydrophobicContact CG2-CE1 4.07Å; L48-F141 HydrophobicContact CD1-CE1 4.3Å; L48-F141 HydrophobicContact CD1-CZ 4.22Å; L48-F141 HydrophobicContact CD2-CE1 4.01Å; F56-F141 AromaticContact CD2-CE2 3.7Å; F56-F141 HydrophobicContact CD2-CE2 3.7Å; F56-F141 HydrophobicContact CD2-CZ 4.07Å; F56-F141 HydrophobicContact CE2-CD2 4.15Å; F56-F141 AromaticContact CE2-CE2 3.32Å; F56-F141 HydrophobicContact CE2-CE2 3.32Å; F56-F141 HydrophobicContact CE2-CZ 4.08Å; F56-F141 HydrophobicContact CG-CE2 4.49Å; F56-F141 HydrophobicContact CG-CZ 4.49Å; F56-F141 AromaticContact CZ-CE2 3.85Å; F56-F141 HydrophobicContact CZ-CE2 3.85Å; F56-F141 HydrophobicContact CZ-CZ 4.49Å; I78-F141 HydrophobicContact CD1-CE1 4.21Å; I78-F141 HydrophobicContact CD1-CZ 4.18Å; V80-F141 HydrophobicContact CG1-CB 4.09Å; V80-F141 HydrophobicContact CG1-CD1 4.23Å; V80-F141 HydrophobicContact CG1-CD2 3.76Å; V80-F141 HydrophobicContact CG1-CE2 4.21Å; V80-F141 HydrophobicContact CG1-CG 3.78Å; V80-F141 HydrophobicContact CG2-CD1 3.91Å; V80-F141 HydrophobicContact CG2-CE1 3.76Å; V80-F141 HydrophobicContact CG2-CE2 4.41Å; V80-F141 HydrophobicContact CG2-CG 4.3Å; V80-F141 HydrophobicContact CG2-CZ 4.04Å; E137-F141 WeakPolarHBondContact O-CD2 3.49Å; E137-F141 PolarHBondContact O-N 3.16Å; I138-F141 PolarHBondContact O-N 3.36Å; R139-F141 VanDerWaalsContact C-N 3.34Å; R139-F141 PolarHBondContact O-N 2.84Å
142F95.9Very high84.4Confident20 Ų2055.9 Ų55.99%0.08830%0.298CS..  trans-138.971-173.9-54-79.6000110.2L15 Q42 R44 V80 V82 I138 D144 M145L15-F142 HydrophobicContact CD1-CE2 4.49Å; Q42-F142 HydrophobicContact CB-CD1 4.36Å; Q42-F142 HydrophobicContact CB-CE1 4.09Å; Q42-F142 HydrophobicContact CB-CZ 4.27Å; Q42-F142 HydrophobicContact CG-CD1 3.5Å; Q42-F142 HydrophobicContact CG-CE1 3.22Å; Q42-F142 HydrophobicContact CG-CG 4.32Å; Q42-F142 HydrophobicContact CG-CZ 3.85Å; R44-F142 HydrophobicContact CB-CE1 4.13Å; R44-F142 HydrophobicContact CB-CZ 4.24Å; R44-F142 VanDerWaalsContact CD-CE1 3.48Å; R44-F142 HydrophobicContact CG-CE1 3.74Å; R44-F142 HydrophobicContact CG-CZ 3.57Å; V80-F142 HydrophobicContact CG1-CE2 3.86Å; V80-F142 HydrophobicContact CG1-CZ 4.34Å; V82-F142 HydrophobicContact CG2-CD2 3.42Å; V82-F142 VanDerWaalsContact CG2-CD2 3.42Å; V82-F142 HydrophobicContact CG2-CE2 3.38Å; V82-F142 HydrophobicContact CG2-CG 4.27Å; V82-F142 HydrophobicContact CG2-CZ 4.19Å; I138-F142 WeakPolarHBondContact O-CA 3.23Å; I138-F142 PolarHBondContact O-N 3.12Å; F142-D144 PolarHBondContact O-N 3.42Å; F142-M145 HydrophobicContact CB-CB 4.01Å; F142-M145 HydrophobicContact CB-CE 4.37Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.18Å; F142-M145 VanDerWaalsContact O-N 3.11Å
143P92.3Very high83Confident91 Ų9159.2 Ų59.259%0.59130%0.301SS*.THydrogen-bonded Turntrans-62-28.2-171.623.6-34.5000113.8R139 M145R139-P143 VanDerWaalsContact O-CA 3.26Å; R139-P143 WeakPolarHBondContact O-CA 3.43Å; P143-M145 VanDerWaalsContact C-N 3.31Å; P143-M145 PolarHBondContact O-N 3.13Å
144D88.2Confident81.3Confident165 Ų16563.1 Ų63.188%0.88232%0.321SS*.THydrogen-bonded Turntrans-85.2-0.3-178.8-55.2-48.6000113.6F142F142-D144 PolarHBondContact O-N 3.42Å
145M82.9Confident79.8Confident35 Ų3565.1 Ų65.117%0.17234%0.337CS..SBendtrans-91.6131.6-175.4-163.1179.159.900111.8I41 Q42 V82 I138 F142 P143 V147I41-M145 HydrophobicContact CG2-SD 4.16Å; Q42-M145 HydrophobicContact CB-SD 4.37Å; V82-M145 HydrophobicContact CB-CE 4.16Å; V82-M145 HydrophobicContact CB-SD 4.49Å; V82-M145 HydrophobicContact CG1-CE 3.62Å; V82-M145 HydrophobicContact CG1-SD 4.13Å; V82-M145 HydrophobicContact CG2-CE 3.67Å; V82-M145 HydrophobicContact CG2-SD 4.28Å; I138-M145 HydrophobicContact CB-CE 4.37Å; I138-M145 HydrophobicContact CG2-CE 2.95Å; F142-M145 HydrophobicContact CB-CB 4.01Å; F142-M145 HydrophobicContact CB-CE 4.37Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.18Å; F142-M145 VanDerWaalsContact O-N 3.11Å; P143-M145 VanDerWaalsContact C-N 3.31Å; P143-M145 PolarHBondContact O-N 3.13Å; M145-V147 HydrophobicContact CE-CG2 4.45Å; M145-V147 VanDerWaalsContact O-CG2 3.32Å; M145-V147 WeakPolarHBondContact O-CG2 3.39Å; M145-V147 PolarHBondContact O-N 3.08Å
146D75.2Confident78.8Confident110 Ų11064.3 Ų64.359%0.58834%0.341SS*.  trans-72.1119.4168.4-172.7-2.7000109.7R13 A148R13-D146 PolarHBondContact NH1-O 3.02Å; D146-A148 PolarHBondContact OD1-N 3.36Å
147V72.8Confident78Confident9 Ų964.8 Ų64.86%0.05534%0.344CS..  trans-102.2-10-172.3-162.40000112.9E135 I138 R139 M145E135-V147 HydrophobicContact CB-CG1 4.27Å; E135-V147 HydrophobicContact CG-CB 4.13Å; E135-V147 HydrophobicContact CG-CG1 4.27Å; I138-V147 HydrophobicContact CB-CG1 3.95Å; I138-V147 HydrophobicContact CB-CG2 4.16Å; I138-V147 HydrophobicContact CD1-CG1 3.55Å; I138-V147 HydrophobicContact CG1-CG1 4.34Å; I138-V147 HydrophobicContact CG2-CB 4.3Å; I138-V147 HydrophobicContact CG2-CG1 3.83Å; I138-V147 HydrophobicContact CG2-CG2 3.47Å; I138-V147 VanDerWaalsContact CG2-CG2 3.47Å; R139-V147 HydrophobicContact CG-CG2 3.99Å; M145-V147 HydrophobicContact CE-CG2 4.45Å; M145-V147 VanDerWaalsContact O-CG2 3.32Å; M145-V147 WeakPolarHBondContact O-CG2 3.39Å; M145-V147 PolarHBondContact O-N 3.08Å
148A69Low77Confident45 Ų4566.6 Ų66.637%0.37235%0.354SS..SBendtrans-56.3143.2-175.900000111.5R13 D146 I150R13-A148 PolarHBondContact NH1-O 3.32Å; D146-A148 PolarHBondContact OD1-N 3.36Å; A148-I150 PolarHBondContact O-N 2.61Å; A148-I150 VanDerWaalsContact O-N 3.16Å
149P60.8Low76.2Confident64 Ų6473.3 Ų73.342%0.41638%0.381SS..  trans-57.2123.4175.7-20.930.3000109.5S151P149-S151 PolarHBondContact O-N 3.2Å; P149-S151 VanDerWaalsContact O-N 3.1Å
150I61.3Low75.7Confident63 Ų6371.3 Ų71.332%0.32338%0.378SS..EExtended strand (participates in β ladder)trans-76.2109.3175.4-62.7169.7000106.8I11 R13 A148 V152 A155I11-I150 PolarHBondContact N-O 2.85Å; I11-I150 PolarHBondContact O-N 3.21Å; R13-I150 VanDerWaalsContact NH2-CD1 3.29Å; A148-I150 PolarHBondContact O-N 2.61Å; A148-I150 VanDerWaalsContact O-N 3.16Å; I150-V152 PolarHBondContact O-N 2.88Å; I150-V152 VanDerWaalsContact O-N 3.13Å; I150-A155 HydrophobicContact CG2-CB 3.35Å
151S60.3Low75.3Confident15 Ų1571.8 Ų71.811%0.10539%0.386CS..EExtended strand (participates in β ladder)trans-63110.4160.4158.20000107.2Y8 P149 R153 L154 A155Y8-S151 VanDerWaalsContact CD1-OG 3.28Å; Y8-S151 WeakPolarHBondContact CD1-OG 3.41Å; P149-S151 PolarHBondContact O-N 3.2Å; P149-S151 VanDerWaalsContact O-N 3.1Å; S151-R153 PolarHBondContact O-N 3.41Å; S151-L154 WeakPolarHBondContact O-CA 3.4Å; S151-L154 PolarHBondContact O-N 3.06Å; S151-L154 VanDerWaalsContact OG-CB 3.28Å; S151-L154 WeakPolarHBondContact OG-CB 3.37Å; S151-L154 PolarHBondContact OG-N 3.43Å; S151-L154 VanDerWaalsContact OG-N 3.15Å; S151-A155 PolarHBondContact O-N 3.35Å
152V60.4Low74.6Confident59 Ų5980.2 Ų80.236%0.35842%0.418SS..Hα-helixtrans-55.7-38.6-175.5174.70000110.9I9 I11 I150 A156I9-V152 HydrophobicContact CB-CB 4.24Å; I9-V152 HydrophobicContact CB-CG2 3.99Å; I9-V152 HydrophobicContact CG2-CG2 3.98Å; I9-V152 VanDerWaalsContact O-CG2 3.3Å; I9-V152 WeakPolarHBondContact O-CG2 3.38Å; I9-V152 PolarHBondContact O-N 2.89Å; I11-V152 HydrophobicContact CD1-CG2 4.16Å; I11-V152 HydrophobicContact CG1-CG2 3.45Å; I11-V152 VanDerWaalsContact CG1-CG2 3.45Å; I150-V152 PolarHBondContact O-N 2.88Å; I150-V152 VanDerWaalsContact O-N 3.13Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.47Å
153R61.3Low74.1Confident155 Ų15583 Ų8359%0.58543%0.434SS*.Hα-helixtrans-70.4-34.8175.3-64.6-174176.5-144.5-2.2112.5P7 Y8 S151 K157P7-R153 PolarHBondContact O-NE 3.23Å; Y8-R153 HydrophobicContact CD1-CB 3.8Å; Y8-R153 HydrophobicContact CD1-CG 4.26Å; Y8-R153 HydrophobicContact CE1-CB 3.98Å; S151-R153 PolarHBondContact O-N 3.41Å; R153-K157 WeakPolarHBondContact O-CB 3.37Å; R153-K157 PolarHBondContact O-N 3.44Å
154L61.1Low74Confident92 Ų9281 Ų8148%0.48242%0.42SS..Hα-helixtrans-69.8-43.5177.5-15877000110.7S151 K157 D158S151-L154 WeakPolarHBondContact O-CA 3.4Å; S151-L154 PolarHBondContact O-N 3.06Å; S151-L154 VanDerWaalsContact OG-CB 3.28Å; S151-L154 WeakPolarHBondContact OG-CB 3.37Å; S151-L154 PolarHBondContact OG-N 3.43Å; S151-L154 VanDerWaalsContact OG-N 3.15Å; L154-K157 CarbonylContact O-C 3.59Å; L154-K157 PolarHBondContact O-N 3.38Å; L154-D158 WeakPolarHBondContact O-CB 3.17Å; L154-D158 PolarHBondContact O-N 2.99Å
155A63.8Low74.3Confident43 Ų4376.2 Ų76.236%0.35539%0.394SS..Hα-helixtrans-65.3-41.9174.900000112.7I150 S151 K157 D158 Y159I150-A155 HydrophobicContact CG2-CB 3.35Å; S151-A155 PolarHBondContact O-N 3.35Å; A155-K157 VanDerWaalsContact C-N 3.33Å; A155-D158 PolarHBondContact O-N 2.92Å; A155-Y159 VanDerWaalsContact O-CB 3.27Å; A155-Y159 WeakPolarHBondContact O-CB 3.49Å; A155-Y159 PolarHBondContact O-N 2.95Å
156A71.8Confident75Confident48 Ų4877.6 Ų77.640%0.39741%0.406SS..Hα-helixtrans-61.9-43.3172.900000111.1V152 Y159 L160V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.47Å; A156-Y159 PolarHBondContact O-N 2.98Å; A156-L160 WeakPolarHBondContact O-CB 3.28Å; A156-L160 WeakPolarHBondContact O-CG 3.44Å; A156-L160 PolarHBondContact O-N 2.89Å
157K77.7Confident75.9Confident132 Ų13273.6 Ų73.657%0.57439%0.385SS*.Hα-helixtrans-63.7-44.8177-174.3178.1-179.6-176.90111.6R153 L154 A155 L160 V161R153-K157 WeakPolarHBondContact O-CB 3.37Å; R153-K157 PolarHBondContact O-N 3.44Å; L154-K157 CarbonylContact O-C 3.59Å; L154-K157 PolarHBondContact O-N 3.38Å; A155-K157 VanDerWaalsContact C-N 3.33Å; K157-L160 PolarHBondContact O-N 3.29Å; K157-V161 HydrophobicContact CG-CG2 4.27Å; K157-V161 VanDerWaalsContact O-CB 3.32Å; K157-V161 WeakPolarHBondContact O-CB 3.24Å; K157-V161 WeakPolarHBondContact O-CG2 3.3Å; K157-V161 PolarHBondContact O-N 3.16Å
158D76Confident77.1Confident64 Ų6475.7 Ų75.734%0.34240%0.396SS..Hα-helixtrans-64.6-43.2178.1-77.9-8.1000111L154 A155 V161 R162L154-D158 WeakPolarHBondContact O-CB 3.17Å; L154-D158 PolarHBondContact O-N 2.99Å; A155-D158 PolarHBondContact O-N 2.92Å; D158-V161 PolarHBondContact O-N 2.92Å; D158-R162 VanDerWaalsContact O-CB 3.28Å; D158-R162 WeakPolarHBondContact O-CB 3.49Å; D158-R162 VanDerWaalsContact O-CG 3.22Å; D158-R162 WeakPolarHBondContact O-CG 3.39Å; D158-R162 PolarHBondContact O-N 2.76Å
159Y79.6Confident78.4Confident142 Ų14279.3 Ų79.356%0.55741%0.409SS*.Hα-helixtrans-61-47.2174.7-178.4-91.7000111.4A155 A156 R162 N163 V164A155-Y159 VanDerWaalsContact O-CB 3.27Å; A155-Y159 WeakPolarHBondContact O-CB 3.49Å; A155-Y159 PolarHBondContact O-N 2.95Å; A156-Y159 PolarHBondContact O-N 2.98Å; Y159-R162 PolarHBondContact O-N 3.34Å; Y159-N163 HydrophobicContact CD2-CB 4.43Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.47Å; Y159-N163 HydrophobicContact CE1-CB 4.38Å; Y159-N163 HydrophobicContact CE2-CB 4.12Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.22Å; Y159-N163 WeakPolarHBondContact O-CB 3.36Å; Y159-N163 PolarHBondContact O-N 3.02Å; Y159-N163 PolarHBondContact O-ND2 3.26Å; Y159-V164 HydrophobicContact CD1-CG2 4.2Å; Y159-V164 HydrophobicContact CE1-CG2 3.79Å
160L85.1Confident80.1Confident78 Ų7882.9 Ų82.941%0.40842%0.418SS..Iπ-helixtrans-60.8-50.1177-72.9170.4000110.6A156 K157 R162 V164 N165A156-L160 WeakPolarHBondContact O-CB 3.28Å; A156-L160 WeakPolarHBondContact O-CG 3.44Å; A156-L160 PolarHBondContact O-N 2.89Å; K157-L160 PolarHBondContact O-N 3.29Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.41Å; L160-V164 HydrophobicContact CD2-CB 3.93Å; L160-V164 HydrophobicContact CD2-CG1 4.11Å; L160-V164 HydrophobicContact CD2-CG2 3.99Å; L160-V164 CarbonylContact O-C 3.6Å; L160-V164 PolarHBondContact O-N 2.94Å; L160-N165 WeakPolarHBondContact O-CB 3.39Å; L160-N165 PolarHBondContact O-N 3.19Å; L160-N165 PolarHBondContact O-OD1 3.44Å
161V87.7Confident81.9Confident73 Ų7379.9 Ų79.944%0.44240%0.402SS..Iπ-helixtrans-61.1-38.9-179.1169.30000112.2K157 D158 P166K157-V161 HydrophobicContact CG-CG2 4.27Å; K157-V161 VanDerWaalsContact O-CB 3.32Å; K157-V161 WeakPolarHBondContact O-CB 3.24Å; K157-V161 WeakPolarHBondContact O-CG2 3.3Å; K157-V161 PolarHBondContact O-N 3.16Å; D158-V161 PolarHBondContact O-N 2.92Å; V161-P166 VanDerWaalsContact O-CD 3.31Å; V161-P166 WeakPolarHBondContact O-CD 3.17Å; V161-P166 WeakPolarHBondContact O-CG 3.42Å
162R83.5Confident83.7Confident181 Ų18182.7 Ų82.768%0.68342%0.415SS*.Iπ-helixtrans-82.7-43.7-177.2-68.1175.5-172.6-175.75.4113D158 Y159 L160D158-R162 VanDerWaalsContact O-CB 3.28Å; D158-R162 WeakPolarHBondContact O-CB 3.49Å; D158-R162 VanDerWaalsContact O-CG 3.22Å; D158-R162 WeakPolarHBondContact O-CG 3.39Å; D158-R162 PolarHBondContact O-N 2.76Å; Y159-R162 PolarHBondContact O-N 3.34Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.41Å
163N85.9Confident85.4Confident80 Ų8083 Ų8343%0.42842%0.418SS..Iπ-helixtrans-110.5-25-164.7-56.2-63.6000114.1Y159Y159-N163 HydrophobicContact CD2-CB 4.43Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.47Å; Y159-N163 HydrophobicContact CE1-CB 4.38Å; Y159-N163 HydrophobicContact CE2-CB 4.12Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.22Å; Y159-N163 WeakPolarHBondContact O-CB 3.36Å; Y159-N163 PolarHBondContact O-N 3.02Å; Y159-N163 PolarHBondContact O-ND2 3.26Å
164V90.4Very high87.2Confident48 Ų4878.5 Ų78.529%0.29140%0.403SS..Iπ-helixtrans-111.2-53.9-172.3-178.60000111.6Y159 L160 P166 T167 L168Y159-V164 HydrophobicContact CD1-CG2 4.2Å; Y159-V164 HydrophobicContact CE1-CG2 3.79Å; L160-V164 HydrophobicContact CD2-CB 3.93Å; L160-V164 HydrophobicContact CD2-CG1 4.11Å; L160-V164 HydrophobicContact CD2-CG2 3.99Å; L160-V164 CarbonylContact O-C 3.6Å; L160-V164 PolarHBondContact O-N 2.94Å; V164-P166 VanDerWaalsContact C-CD 3.45Å; V164-T167 PolarHBondContact O-N 3.4Å; V164-L168 HydrophobicContact CG1-CB 4.33Å; V164-L168 HydrophobicContact CG1-CD2 4.15Å; V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.39Å; V164-L168 PolarHBondContact O-N 2.96Å
165N94.1Very high88.9Confident64 Ų6475.4 Ų75.434%0.34239%0.387SS..Hα-helixtrans-57.8-40.9-172.5-67.9-2.8000113.9L160 T167 L168 L169L160-N165 WeakPolarHBondContact O-CB 3.39Å; L160-N165 PolarHBondContact O-N 3.19Å; L160-N165 PolarHBondContact O-OD1 3.44Å; N165-T167 VanDerWaalsContact C-N 3.29Å; N165-T167 PolarHBondContact O-N 3.37Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-L169 WeakPolarHBondContact O-CB 3.26Å; N165-L169 PolarHBondContact O-N 3.06Å
166P96.2Very high90.5Very high64 Ų6477.7 Ų77.742%0.41640%0.4SS..Hα-helixtrans-60.2-39.1-177.5-25.836.4000113V161 V164 K170V161-P166 VanDerWaalsContact O-CD 3.31Å; V161-P166 WeakPolarHBondContact O-CD 3.17Å; V161-P166 WeakPolarHBondContact O-CG 3.42Å; V164-P166 VanDerWaalsContact C-CD 3.45Å; P166-K170 WeakPolarHBondContact O-CG 3.12Å
167T95.9Very high91.7Very high26 Ų2681.9 Ų81.916%0.1641%0.409CS..Hα-helixtrans-82.3-44.8178.2-52.50000110.9V164 N165 L169 K170 G171 W190 L191 P196V164-T167 PolarHBondContact O-N 3.4Å; N165-T167 VanDerWaalsContact C-N 3.29Å; N165-T167 PolarHBondContact O-N 3.37Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 2.99Å; T167-K170 PolarHBondContact O-N 3.46Å; T167-G171 PolarHBondContact O-N 3.45Å; T167-W190 HydrophobicContact CG2-CZ3 4.12Å; T167-L191 HydrophobicContact CG2-CD2 3.95Å; T167-P196 WeakPolarHBondContact OG1-CD 3.34Å
168L96.8Very high92.6Very high54 Ų5481.4 Ų81.428%0.28341%0.408SS..Hα-helixtrans-61.5-41.4-178.8-177.960.9000112.1V164 N165 K170 G171 L172 L187 L191V164-L168 HydrophobicContact CG1-CB 4.33Å; V164-L168 HydrophobicContact CG1-CD2 4.15Å; V164-L168 VanDerWaalsContact O-CB 3.3Å; V164-L168 WeakPolarHBondContact O-CB 3.39Å; V164-L168 PolarHBondContact O-N 2.96Å; N165-L168 PolarHBondContact O-N 3.39Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.46Å; L168-G171 PolarHBondContact O-N 3.27Å; L168-L172 HydrophobicContact CD1-CD1 4.24Å; L168-L172 HydrophobicContact CD1-CG 4.19Å; L168-L172 HydrophobicContact CG-CD1 3.95Å; L168-L172 HydrophobicContact CG-CG 4.35Å; L168-L172 WeakPolarHBondContact O-CB 3.19Å; L168-L172 VanDerWaalsContact O-CG 3.3Å; L168-L172 WeakPolarHBondContact O-CG 3.4Å; L168-L172 PolarHBondContact O-N 2.97Å; L168-L187 HydrophobicContact CD1-CD2 4.38Å; L168-L191 HydrophobicContact CD1-CD1 4.27Å
169L96.9Very high93.6Very high121 Ų12186.5 Ų86.563%0.63443%0.428SS*.Hα-helixtrans-64.9-38.4179.7-161.283000111.7N165 T167 T173N165-L169 WeakPolarHBondContact O-CB 3.26Å; N165-L169 PolarHBondContact O-N 3.06Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 2.99Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.47Å; L169-T173 PolarHBondContact O-OG1 3.42Å
170K97.3Very high94.4Very high139 Ų13981.3 Ų81.360%0.60441%0.411SS*.Hα-helixtrans-63.6-47.6174-71.3176-176.2179.50110.7P166 T167 L168 L172 T173 E174 W190P166-K170 WeakPolarHBondContact O-CG 3.12Å; T167-K170 PolarHBondContact O-N 3.46Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.46Å; K170-L172 PolarHBondContact O-N 2.79Å; K170-T173 WeakPolarHBondContact O-CB 3.34Å; K170-T173 PolarHBondContact O-N 2.86Å; K170-T173 VanDerWaalsContact O-N 3.14Å; K170-E174 PolarHBondContact O-N 2.56Å; K170-W190 HydrophobicContact CB-CH2 3.63Å; K170-W190 HydrophobicContact CB-CZ2 4.32Å; K170-W190 HydrophobicContact CB-CZ3 4.43Å
171G97.7Very high95Very high0 Ų088 Ų880%044%0.437CS..Hα-helixtrans-60.4-44.8178.200000112.8T167 L168 T173 E174 L175 W190T167-G171 PolarHBondContact O-N 3.45Å; L168-G171 PolarHBondContact O-N 3.27Å; G171-T173 VanDerWaalsContact C-N 3.31Å; G171-T173 PolarHBondContact O-N 3.25Å; G171-E174 PolarHBondContact O-N 3.01Å; G171-L175 VanDerWaalsContact O-CB 3.3Å; G171-L175 WeakPolarHBondContact O-CB 2.94Å; G171-L175 PolarHBondContact O-N 2.97Å; G171-W190 VanDerWaalsContact N-CH2 3.35Å; G171-W190 VanDerWaalsContact N-CZ3 3.33Å
172L98Very high95.5Very high73 Ų7388.7 Ų88.738%0.38244%0.438SS..Hα-helixtrans-63.3-36.7175-71.2171.5000112.3L168 K170 L175 C176 L187L168-L172 HydrophobicContact CD1-CD1 4.24Å; L168-L172 HydrophobicContact CD1-CG 4.19Å; L168-L172 HydrophobicContact CG-CD1 3.95Å; L168-L172 HydrophobicContact CG-CG 4.35Å; L168-L172 WeakPolarHBondContact O-CB 3.19Å; L168-L172 VanDerWaalsContact O-CG 3.3Å; L168-L172 WeakPolarHBondContact O-CG 3.4Å; L168-L172 PolarHBondContact O-N 2.97Å; K170-L172 PolarHBondContact O-N 2.79Å; L172-L175 HydrophobicContact CD2-CD2 4.38Å; L172-C176 PolarHBondContact O-N 2.93Å; L172-C176 VanDerWaalsContact O-N 3.1Å; L172-C176 PolarHBondContact O-SG 3.07Å; L172-C176 VanDerWaalsContact O-SG 3.34Å; L172-L187 HydrophobicContact CD2-CD2 3.77Å; L172-L187 HydrophobicContact CG-CD2 4.48Å
173T97.9Very high96.1Very high67 Ų6783 Ų8341%0.41143%0.425SS..Hα-helixtrans-64.8-44.9175.5-59.40000111.2L169 K170 G171 C176 K177L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.47Å; L169-T173 PolarHBondContact O-OG1 3.42Å; K170-T173 WeakPolarHBondContact O-CB 3.34Å; K170-T173 PolarHBondContact O-N 2.86Å; K170-T173 VanDerWaalsContact O-N 3.14Å; G171-T173 VanDerWaalsContact C-N 3.31Å; G171-T173 PolarHBondContact O-N 3.25Å; T173-C176 PolarHBondContact O-N 3.44Å; T173-K177 WeakPolarHBondContact O-CG 3.34Å; T173-K177 PolarHBondContact O-N 2.95Å
174E98Very high96.7Very high60 Ų6084.5 Ų84.528%0.2844%0.437SS..Hα-helixtrans-68.6-37.9177.2-66.6-52.4126.500112.4K170 G171 C176 K177 Q178 W186 W190K170-E174 PolarHBondContact O-N 2.56Å; G171-E174 PolarHBondContact O-N 3.01Å; E174-C176 VanDerWaalsContact C-N 3.31Å; E174-C176 PolarHBondContact O-N 3.46Å; E174-K177 WeakPolarHBondContact O-CB 3.49Å; E174-K177 PolarHBondContact O-N 3.17Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 2.88Å; E174-K177 IonicContact OE2-NZ 3.9Å; E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 2.9Å; E174-W186 HydrophobicContact CB-CH2 3.77Å; E174-W186 HydrophobicContact CB-CZ3 4.36Å; E174-W190 HydrophobicContact CG-CZ2 4.13Å
175L97.9Very high97Very high26 Ų2687 Ų8714%0.13645%0.448CS..Hα-helixtrans-57-45.6174.4179.870000111.3G171 L172 K177 Q178 K179 P180 P183 W186 L187G171-L175 VanDerWaalsContact O-CB 3.3Å; G171-L175 WeakPolarHBondContact O-CB 2.94Å; G171-L175 PolarHBondContact O-N 2.97Å; L172-L175 HydrophobicContact CD2-CD2 4.38Å; L175-K177 VanDerWaalsContact C-N 3.25Å; L175-K177 PolarHBondContact O-N 3.44Å; L175-Q178 PolarHBondContact O-N 2.82Å; L175-K179 PolarHBondContact O-N 3.12Å; L175-P180 HydrophobicContact CD1-CG 3.54Å; L175-P183 HydrophobicContact CD1-CB 3.67Å; L175-P183 WeakPolarHBondContact CD1-O 3.44Å; L175-P183 HydrophobicContact CD2-CB 4.08Å; L175-P183 HydrophobicContact CG-CB 4.28Å; L175-W186 HydrophobicContact CB-CE3 4.07Å; L175-W186 HydrophobicContact CB-CZ3 3.8Å; L175-W186 HydrophobicContact CD1-CD2 4.18Å; L175-W186 HydrophobicContact CD1-CE3 3.46Å; L175-W186 VanDerWaalsContact CD1-CE3 3.46Å; L175-W186 HydrophobicContact CD1-CZ3 4.08Å; L175-W186 HydrophobicContact CG-CE3 4.39Å; L175-L187 HydrophobicContact CD2-CB 4.42Å; L175-L187 HydrophobicContact CD2-CD2 4.4Å
176C96.9Very high97.2Very high92 Ų9287.1 Ų87.162%0.62244%0.444SS*.Hα-helixtrans-63.5-29.1177.1-75.40000113.4L172 T173 E174 K179L172-C176 PolarHBondContact O-N 2.93Å; L172-C176 VanDerWaalsContact O-N 3.1Å; L172-C176 PolarHBondContact O-SG 3.07Å; L172-C176 VanDerWaalsContact O-SG 3.34Å; T173-C176 PolarHBondContact O-N 3.44Å; E174-C176 VanDerWaalsContact C-N 3.31Å; E174-C176 PolarHBondContact O-N 3.46Å; C176-K179 WeakPolarHBondContact O-CE 3.38Å; C176-K179 WeakPolarHBondContact O-CG 3.44Å
177K97.1Very high97.3Very high135 Ų13585.3 Ų85.359%0.58743%0.43SS*.Hα-helixtrans-76.5-47.5175.7-67.8172.5-174.4170.10111.6T173 E174 L175T173-K177 WeakPolarHBondContact O-CG 3.34Å; T173-K177 PolarHBondContact O-N 2.95Å; E174-K177 WeakPolarHBondContact O-CB 3.49Å; E174-K177 PolarHBondContact O-N 3.17Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 2.88Å; E174-K177 IonicContact OE2-NZ 3.9Å; L175-K177 VanDerWaalsContact C-N 3.25Å; L175-K177 PolarHBondContact O-N 3.44Å
178Q96.3Very high97.4Very high122 Ų12286.1 Ų86.157%0.5744%0.44SS*.Hα-helixtrans-76.2-33.5-173.4-68-7414.200113E174 L175 W186E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 2.9Å; L175-Q178 PolarHBondContact O-N 2.82Å; Q178-W186 HydrophobicContact CB-CZ2 4.17Å; Q178-W186 HydrophobicContact CG-CH2 4.21Å; Q178-W186 HydrophobicContact CG-CZ2 3.74Å
179K96.7Very high97.4Very high172 Ų17287.5 Ų87.575%0.74845%0.447SS*.  trans46.654.6-177.3-58.3-178.2-179.2177.60112.9L175 C176L175-K179 PolarHBondContact O-N 3.12Å; C176-K179 WeakPolarHBondContact O-CE 3.38Å; C176-K179 WeakPolarHBondContact O-CG 3.44Å
180P97.2Very high97.4Very high33 Ų3383.5 Ų83.521%0.21442%0.424CS..  trans-63.8158.2-179.531.9-38.9000111.2L175 D182 W186L175-P180 HydrophobicContact CD1-CG 3.54Å; P180-D182 VanDerWaalsContact C-N 3.28Å; P180-D182 PolarHBondContact O-N 3.27Å; P180-W186 HydrophobicContact CB-CB 3.92Å; P180-W186 HydrophobicContact CB-CG 3.8Å; P180-W186 HydrophobicContact CG-CB 3.57Å; P180-W186 HydrophobicContact CG-CD2 3.95Å; P180-W186 HydrophobicContact CG-CE3 4.46Å; P180-W186 HydrophobicContact CG-CG 3.53Å
181K96.8Very high97.3Very high219 Ų21979.4 Ų79.495%0.95241%0.408SS*.SBendtrans-62.4-35.4179-169.3179.3178.6-175.80112.6
182D97.5Very high97.1Very high86 Ų8684.9 Ų84.946%0.4644%0.437SS..SBendtrans-118.194.4172.8-169.2-26.1000109.9P180 V184 L185 W186P180-D182 VanDerWaalsContact C-N 3.28Å; P180-D182 PolarHBondContact O-N 3.27Å; D182-V184 VanDerWaalsContact C-N 3.32Å; D182-V184 PolarHBondContact O-N 3.39Å; D182-V184 PolarHBondContact OD1-N 3.11Å; D182-L185 HydrophobicContact CB-CB 4.21Å; D182-L185 PolarHBondContact OD1-N 3.42Å; D182-L185 VanDerWaalsContact OD1-N 3.11Å; D182-W186 WeakPolarHBondContact O-CB 3.37Å; D182-W186 PolarHBondContact O-N 2.93Å; D182-W186 VanDerWaalsContact O-N 3.12Å
183P97.5Very high97Very high62 Ų6288.2 Ų88.240%0.40345%0.45SS..Hα-helixtrans-69.7-27.7-175.126.1-33.6000114L175 L187L175-P183 HydrophobicContact CD1-CB 3.67Å; L175-P183 WeakPolarHBondContact CD1-O 3.44Å; L175-P183 HydrophobicContact CD2-CB 4.08Å; L175-P183 HydrophobicContact CG-CB 4.28Å; P183-L187 VanDerWaalsContact O-CB 3.24Å; P183-L187 WeakPolarHBondContact O-CB 3.15Å; P183-L187 PolarHBondContact O-N 2.85Å
184V97.4Very high96.8Very high112 Ų11288.6 Ų88.668%0.67945%0.45SS*.Hα-helixtrans-76.2-49.4-178178.10000109.7D182 W186 L187 A188D182-V184 VanDerWaalsContact C-N 3.32Å; D182-V184 PolarHBondContact O-N 3.39Å; D182-V184 PolarHBondContact OD1-N 3.11Å; V184-W186 VanDerWaalsContact C-N 3.32Å; V184-W186 PolarHBondContact O-N 2.77Å; V184-L187 PolarHBondContact O-N 2.87Å; V184-A188 WeakPolarHBondContact O-CB 3.4Å; V184-A188 PolarHBondContact O-N 2.98Å
185L97.5Very high96.5Very high101 Ų10188.9 Ų88.953%0.52945%0.454SS..Hα-helixtrans-62-44.5178.6-16869.7000110.7D182 L187 A188 D189D182-L185 HydrophobicContact CB-CB 4.21Å; D182-L185 PolarHBondContact OD1-N 3.42Å; D182-L185 VanDerWaalsContact OD1-N 3.11Å; L185-L187 PolarHBondContact O-N 3.01Å; L185-A188 WeakPolarHBondContact O-CB 3.31Å; L185-A188 PolarHBondContact O-N 2.97Å; L185-D189 PolarHBondContact O-N 3.4Å
186W98.2Very high96Very high66 Ų6691.8 Ų91.825%0.2547%0.474CS..Hα-helixtrans-60.5-43.7177.5-173.293.9000112.4E174 L175 Q178 P180 D182 V184 A188 D189 W190E174-W186 HydrophobicContact CB-CH2 3.77Å; E174-W186 HydrophobicContact CB-CZ3 4.36Å; L175-W186 HydrophobicContact CB-CE3 4.07Å; L175-W186 HydrophobicContact CB-CZ3 3.8Å; L175-W186 HydrophobicContact CD1-CD2 4.18Å; L175-W186 HydrophobicContact CD1-CE3 3.46Å; L175-W186 VanDerWaalsContact CD1-CE3 3.46Å; L175-W186 HydrophobicContact CD1-CZ3 4.08Å; L175-W186 HydrophobicContact CG-CE3 4.39Å; Q178-W186 HydrophobicContact CB-CZ2 4.17Å; Q178-W186 HydrophobicContact CG-CH2 4.21Å; Q178-W186 HydrophobicContact CG-CZ2 3.74Å; P180-W186 HydrophobicContact CB-CB 3.92Å; P180-W186 HydrophobicContact CB-CG 3.8Å; P180-W186 HydrophobicContact CG-CB 3.57Å; P180-W186 HydrophobicContact CG-CD2 3.95Å; P180-W186 HydrophobicContact CG-CE3 4.46Å; P180-W186 HydrophobicContact CG-CG 3.53Å; D182-W186 WeakPolarHBondContact O-CB 3.37Å; D182-W186 PolarHBondContact O-N 2.93Å; D182-W186 VanDerWaalsContact O-N 3.12Å; V184-W186 VanDerWaalsContact C-N 3.32Å; V184-W186 PolarHBondContact O-N 2.77Å; W186-A188 VanDerWaalsContact C-N 3.34Å; W186-D189 PolarHBondContact O-N 3.33Å; W186-W190 HydrophobicContact CE3-CB 4.19Å; W186-W190 HydrophobicContact CH2-CB 4.19Å; W186-W190 AromaticContact CH2-CD1 3.27Å; W186-W190 AromaticContact CH2-CG 3.83Å; W186-W190 HydrophobicContact CH2-CG 3.83Å; W186-W190 AromaticContact CH2-NE1 3.91Å; W186-W190 AromaticContact CZ2-CD1 3.78Å; W186-W190 HydrophobicContact CZ3-CB 3.93Å; W186-W190 AromaticContact CZ3-CD1 3.81Å; W186-W190 AromaticContact CZ3-CG 3.89Å; W186-W190 HydrophobicContact CZ3-CG 3.89Å; W186-W190 VanDerWaalsContact O-CB 3.29Å; W186-W190 WeakPolarHBondContact O-CB 3.22Å; W186-W190 PolarHBondContact O-N 3.24Å
187L98.2Very high95.5Very high26 Ų2693.3 Ų93.314%0.13648%0.476CS..Hα-helixtrans-66.7-37.3178.1-178.363.1000111.5L168 L172 L175 P183 V184 L185 W190 L191L168-L187 HydrophobicContact CD1-CD2 4.38Å; L172-L187 HydrophobicContact CD2-CD2 3.77Å; L172-L187 HydrophobicContact CG-CD2 4.48Å; L175-L187 HydrophobicContact CD2-CB 4.42Å; L175-L187 HydrophobicContact CD2-CD2 4.4Å; P183-L187 VanDerWaalsContact O-CB 3.24Å; P183-L187 WeakPolarHBondContact O-CB 3.15Å; P183-L187 PolarHBondContact O-N 2.85Å; V184-L187 PolarHBondContact O-N 2.87Å; L185-L187 PolarHBondContact O-N 3.01Å; L187-W190 PolarHBondContact O-N 2.67Å; L187-L191 HydrophobicContact CD1-CD1 4.42Å; L187-L191 HydrophobicContact CD1-CG 4.25Å; L187-L191 HydrophobicContact CG-CD1 4.07Å; L187-L191 HydrophobicContact CG-CG 4.35Å; L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.32Å
188A97Very high94.7Very high43 Ų4392.6 Ų92.636%0.35547%0.473SS..Hα-helixtrans-61.6-49.5176.300000111.4V184 L185 W186 W190 L191 L192V184-A188 WeakPolarHBondContact O-CB 3.4Å; V184-A188 PolarHBondContact O-N 2.98Å; L185-A188 WeakPolarHBondContact O-CB 3.31Å; L185-A188 PolarHBondContact O-N 2.97Å; W186-A188 VanDerWaalsContact C-N 3.34Å; A188-W190 VanDerWaalsContact C-N 3.34Å; A188-W190 PolarHBondContact O-N 2.87Å; A188-L191 PolarHBondContact O-N 3.23Å; A188-L192 WeakPolarHBondContact O-CG 3.5Å; A188-L192 PolarHBondContact O-N 3.38Å
189D96.7Very high93.2Very high82 Ų8292.1 Ų92.144%0.43948%0.48SS..Hα-helixtrans-59.9-46.1176-69.6-24.2000110.9L185 W186 L191 L192 E193L185-D189 PolarHBondContact O-N 3.4Å; W186-D189 PolarHBondContact O-N 3.33Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 2.91Å; D189-L192 PolarHBondContact O-N 3.12Å; D189-L192 VanDerWaalsContact O-N 3.14Å; D189-E193 WeakPolarHBondContact O-CG 3.12Å; D189-E193 PolarHBondContact O-N 3.29Å
190W97.3Very high91.3Very high37 Ų3789.7 Ų89.714%0.1448%0.484CS..Hα-helixtrans-58-43.2177.3-169.796.5000112T167 K170 G171 E174 W186 L187 A188 E193 N194T167-W190 HydrophobicContact CG2-CZ3 4.12Å; K170-W190 HydrophobicContact CB-CH2 3.63Å; K170-W190 HydrophobicContact CB-CZ2 4.32Å; K170-W190 HydrophobicContact CB-CZ3 4.43Å; G171-W190 VanDerWaalsContact N-CH2 3.35Å; G171-W190 VanDerWaalsContact N-CZ3 3.33Å; E174-W190 HydrophobicContact CG-CZ2 4.13Å; W186-W190 HydrophobicContact CE3-CB 4.19Å; W186-W190 HydrophobicContact CH2-CB 4.19Å; W186-W190 AromaticContact CH2-CD1 3.27Å; W186-W190 AromaticContact CH2-CG 3.83Å; W186-W190 HydrophobicContact CH2-CG 3.83Å; W186-W190 AromaticContact CH2-NE1 3.91Å; W186-W190 AromaticContact CZ2-CD1 3.78Å; W186-W190 HydrophobicContact CZ3-CB 3.93Å; W186-W190 AromaticContact CZ3-CD1 3.81Å; W186-W190 AromaticContact CZ3-CG 3.89Å; W186-W190 HydrophobicContact CZ3-CG 3.89Å; W186-W190 VanDerWaalsContact O-CB 3.29Å; W186-W190 WeakPolarHBondContact O-CB 3.22Å; W186-W190 PolarHBondContact O-N 3.24Å; L187-W190 PolarHBondContact O-N 2.67Å; A188-W190 VanDerWaalsContact C-N 3.34Å; A188-W190 PolarHBondContact O-N 2.87Å; W190-E193 PolarHBondContact O-N 2.67Å; W190-N194 HydrophobicContact CD2-CB 4.38Å; W190-N194 HydrophobicContact CE3-CB 4.06Å; W190-N194 HydrophobicContact CH2-CB 3.82Å; W190-N194 HydrophobicContact CZ2-CB 4.19Å; W190-N194 HydrophobicContact CZ3-CB 3.76Å; W190-N194 WeakPolarHBondContact O-CB 3.11Å; W190-N194 PolarHBondContact O-N 2.79Å; W190-N194 PolarHBondContact O-ND2 3.06Å
191L96.2Very high89.5Confident54 Ų5493.2 Ų93.228%0.28351%0.509SS..Hα-helixtrans-66.4-37.5177.9-73.6170.8000112.2T167 L168 L187 A188 D189 N194 N195T167-L191 HydrophobicContact CG2-CD2 3.95Å; L168-L191 HydrophobicContact CD1-CD1 4.27Å; L187-L191 HydrophobicContact CD1-CD1 4.42Å; L187-L191 HydrophobicContact CD1-CG 4.25Å; L187-L191 HydrophobicContact CG-CD1 4.07Å; L187-L191 HydrophobicContact CG-CG 4.35Å; L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.32Å; A188-L191 PolarHBondContact O-N 3.23Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 2.91Å; L191-N194 CarbonylContact O-C 3.56Å; L191-N194 PolarHBondContact O-N 3.04Å; L191-N195 WeakPolarHBondContact O-CB 3.2Å; L191-N195 PolarHBondContact O-N 3.36Å
192L93.8Very high86.8Confident115 Ų11588.9 Ų88.960%0.60251%0.505SS*.Hα-helixtrans-68.4-34.7176.2-71.8171.8000112.5A188 D189 K198A188-L192 WeakPolarHBondContact O-CG 3.5Å; A188-L192 PolarHBondContact O-N 3.38Å; D189-L192 PolarHBondContact O-N 3.12Å; D189-L192 VanDerWaalsContact O-N 3.14Å; L192-K198 PolarHBondContact O-NZ 2.88Å
193E94.3Very high84Confident142 Ų14297.8 Ų97.866%0.66454%0.54SS*.Hα-helixtrans-73.2-37.3175.5-72.1-179.6171.800112.3D189 W190D189-E193 WeakPolarHBondContact O-CG 3.12Å; D189-E193 PolarHBondContact O-N 3.29Å; W190-E193 PolarHBondContact O-N 2.67Å
194N94.7Very high83.3Confident76 Ų7699.6 Ų99.641%0.40655%0.546SS..SBendtrans-104.321.4-174.2-65.5-88.8000113.5W190 L191 P196W190-N194 HydrophobicContact CD2-CB 4.38Å; W190-N194 HydrophobicContact CE3-CB 4.06Å; W190-N194 HydrophobicContact CH2-CB 3.82Å; W190-N194 HydrophobicContact CZ2-CB 4.19Å; W190-N194 HydrophobicContact CZ3-CB 3.76Å; W190-N194 WeakPolarHBondContact O-CB 3.11Å; W190-N194 PolarHBondContact O-N 2.79Å; W190-N194 PolarHBondContact O-ND2 3.06Å; L191-N194 CarbonylContact O-C 3.56Å; L191-N194 PolarHBondContact O-N 3.04Å; N194-P196 VanDerWaalsContact O-CD 3.27Å; N194-P196 WeakPolarHBondContact O-CD 3.5Å
195N90.9Very high82.6Confident66 Ų6698.9 Ų98.935%0.35354%0.539SS..  trans-68.8115.2178.5-179.31000110.5L191 N197 K198L191-N195 WeakPolarHBondContact O-CB 3.2Å; L191-N195 PolarHBondContact O-N 3.36Å; N195-N197 PolarHBondContact O-N 2.93Å; N195-N197 WeakPolarHBondContact OD1-CB 3.33Å; N195-N197 PolarHBondContact OD1-N 2.8Å; N195-K198 HydrophobicContact CB-CB 4.31Å; N195-K198 VanDerWaalsContact O-CB 3.3Å; N195-K198 WeakPolarHBondContact O-CB 3.38Å; N195-K198 PolarHBondContact O-N 3.36Å; N195-K198 VanDerWaalsContact O-N 3.11Å
196P88.7Confident81.8Confident87 Ų8798.8 Ų98.857%0.56554%0.54SS*.THydrogen-bonded Turntrans-66.6-17.9179.928.5-36000113.3T167 N194T167-P196 WeakPolarHBondContact OG1-CD 3.34Å; N194-P196 VanDerWaalsContact O-CD 3.27Å; N194-P196 WeakPolarHBondContact O-CD 3.5Å
197N84.5Confident80.8Confident123 Ų123100.7 Ų100.766%0.65856%0.557SS**THydrogen-bonded Turntrans-96.710.3178.7-57.5-44.3000112.5N195 P199N195-N197 PolarHBondContact O-N 2.93Å; N195-N197 WeakPolarHBondContact OD1-CB 3.33Å; N195-N197 PolarHBondContact OD1-N 2.8Å; N197-P199 WeakPolarHBondContact O-CD 3.46Å
198K81.9Confident79.7Confident120 Ų120105.4 Ų105.452%0.52258%0.583SS.*  trans-65.3121.6177.4-158.8170.1-168.2164.80108.4L192 N195 C200L192-K198 PolarHBondContact O-NZ 2.88Å; N195-K198 HydrophobicContact CB-CB 4.31Å; N195-K198 VanDerWaalsContact O-CB 3.3Å; N195-K198 WeakPolarHBondContact O-CB 3.38Å; N195-K198 PolarHBondContact O-N 3.36Å; N195-K198 VanDerWaalsContact O-N 3.11Å; K198-C200 PolarHBondContact O-N 3.31Å
199P63.5Low78.6Confident113 Ų113109.5 Ų109.573%0.73460%0.599SS**  trans-61.1131.1179.58.8-9.8000109.3N197 S201N197-P199 WeakPolarHBondContact O-CD 3.46Å; P199-S201 PolarHBondContact O-N 3.18Å
200C57.8Low77.3Confident121 Ų121111.5 Ų111.582%0.81861%0.61SS**  trans-59.6112.1172-82.70000108.1K198 C202K198-C200 PolarHBondContact O-N 3.31Å; C200-C202 VanDerWaalsContact C-N 3.34Å; C200-C202 PolarHBondContact O-N 3.48Å
201S59Low75.7Confident107 Ų107117.2 Ų117.275%0.74865%0.646SS**  trans-65.199.9167.232.40000107.5P199 K203P199-S201 PolarHBondContact O-N 3.18Å; S201-K203 PolarHBondContact O-N 2.99Å
202C40.4Very low74Confident128 Ų128122.5 Ų122.587%0.86568%0.676SS**  trans-59.1112.2166.8-69.10000107.2C200C200-C202 VanDerWaalsContact C-N 3.34Å; C200-C202 PolarHBondContact O-N 3.48Å
203K38.6Very low72.2Confident272 Ų272123.2 Ų123.2100%1.18368%0.683SS**  trans-90.40161.1-78.2-172.6176-179.10108.6S201S201-K203 PolarHBondContact O-N 2.99Å

Retrieved 203 of 203 residues in 106.5 ms (Link to these results)

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