A0A087X2D4_HUMAN Loading...

Aldehyde dehydrogenase 3 family member B1

AlphaFold DB , UniProt , Accession A0A087X2D4, Species HUMAN (Homo sapiens, Human), Gene ALDH3B1, Length 351 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
1M55.6Low72.1Confident216 Ų21680.6 Ų80.6100%1.06441%0.408SS*.  0148.70-77.3179.2-105.600107.9P3M1-P3 WeakPolarHBondContact O-CD 3.31Å
2D72.5Confident72.9Confident97 Ų9785.9 Ų85.952%0.51942%0.419SS..  trans-90.4109.1175.6166.621.9000109.1L4 G5 D6D2-L4 PolarHBondContact O-N 3.01Å; D2-L4 WeakPolarHBondContact OD1-CB 3.31Å; D2-L4 PolarHBondContact OD1-N 2.94Å; D2-G5 VanDerWaalsContact CG-N 3.27Å; D2-G5 PolarHBondContact O-N 3.23Å; D2-G5 PolarHBondContact OD1-N 2.99Å; D2-G5 WeakPolarHBondContact OD2-CA 3.36Å; D2-G5 PolarHBondContact OD2-N 3.42Å; D2-D6 PolarHBondContact O-N 2.86Å
3P65.6Low74Confident99 Ų9987.8 Ų87.864%0.64343%0.427SS*.Hα-helixtrans-63.6-26.8-176-20.934000113.5M1 T7M1-P3 WeakPolarHBondContact O-CD 3.31Å; P3-T7 WeakPolarHBondContact O-CB 3.5Å; P3-T7 PolarHBondContact O-N 2.65Å; P3-T7 PolarHBondContact O-OG1 2.8Å
4L67Low74.5Confident100 Ų10082.5 Ų82.552%0.52440%0.404SS..Hα-helixtrans-74.7-47.9176.4179.359.7000110.1D2 D6 T7 L8D2-L4 PolarHBondContact O-N 3.01Å; D2-L4 WeakPolarHBondContact OD1-CB 3.31Å; D2-L4 PolarHBondContact OD1-N 2.94Å; L4-D6 VanDerWaalsContact C-N 3.35Å; L4-D6 PolarHBondContact O-N 3.03Å; L4-T7 WeakPolarHBondContact O-CB 3.16Å; L4-T7 PolarHBondContact O-N 2.9Å; L4-T7 VanDerWaalsContact O-N 3.08Å; L4-L8 HydrophobicContact CD1-CD1 4.28Å; L4-L8 HydrophobicContact CD1-CG 4.17Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 3.08Å
5G71.5Confident75.2Confident23 Ų2378.6 Ų78.624%0.23738%0.384CS..Hα-helixtrans-57.1-42.1175.400000113.8D2 T7 R9D2-G5 VanDerWaalsContact CG-N 3.27Å; D2-G5 PolarHBondContact O-N 3.23Å; D2-G5 PolarHBondContact OD1-N 2.99Å; D2-G5 WeakPolarHBondContact OD2-CA 3.36Å; D2-G5 PolarHBondContact OD2-N 3.42Å; G5-T7 VanDerWaalsContact C-N 3.33Å; G5-R9 WeakPolarHBondContact O-CB 2.94Å; G5-R9 PolarHBondContact O-N 3.29Å
6D73.8Confident76.1Confident40 Ų4082.4 Ų82.421%0.21440%0.401CS..Hα-helixtrans-66.8-33.4174.7-71.1-38.8000112.4D2 L4 R9 R10D2-D6 PolarHBondContact O-N 2.86Å; L4-D6 VanDerWaalsContact C-N 3.35Å; L4-D6 PolarHBondContact O-N 3.03Å; D6-R9 IonicContact OD1-CZ 3.7Å; D6-R9 IonicContact OD1-NH1 3.67Å; D6-R9 PolarHBondContact OD1-NH1 2.84Å; D6-R9 IonicContact OD1-NH2 2.71Å; D6-R9 PolarHBondContact OD1-NH2 3.13Å; D6-R10 WeakPolarHBondContact O-CG 3.27Å; D6-R10 PolarHBondContact O-N 2.78Å; D6-R10 PolarHBondContact O-NE 3.41Å
7T70.9Confident76.8Confident10 Ų1081.7 Ų81.76%0.06141%0.412CS..Hα-helixtrans-73.6-45.6177.8-63.60000112.1P3 L4 G5 R9 R10 L11 S162P3-T7 WeakPolarHBondContact O-CB 3.5Å; P3-T7 PolarHBondContact O-N 2.65Å; P3-T7 PolarHBondContact O-OG1 2.8Å; L4-T7 WeakPolarHBondContact O-CB 3.16Å; L4-T7 PolarHBondContact O-N 2.9Å; L4-T7 VanDerWaalsContact O-N 3.08Å; G5-T7 VanDerWaalsContact C-N 3.33Å; T7-R9 PolarHBondContact O-N 3.3Å; T7-R10 PolarHBondContact O-N 3.32Å; T7-R10 PolarHBondContact OG1-NH2 3.01Å; T7-L11 HydrophobicContact CG2-CD1 4.46Å; T7-L11 WeakPolarHBondContact O-CG 3.5Å; T7-L11 PolarHBondContact O-N 3.13Å; T7-L11 VanDerWaalsContact O-N 3.08Å; T7-S162 WeakPolarHBondContact CG2-OG 3.47Å
8L77.1Confident77.4Confident56 Ų5678 Ų7829%0.29340%0.397SS..Hα-helixtrans-60.3-35.1173.5-68.1175.4000112L4 R12 L107 V136L4-L8 HydrophobicContact CD1-CD1 4.28Å; L4-L8 HydrophobicContact CD1-CG 4.17Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 3.08Å; L8-R12 WeakPolarHBondContact O-CG 3.43Å; L8-R12 PolarHBondContact O-N 2.87Å; L8-R12 VanDerWaalsContact O-N 3.11Å; L8-L107 HydrophobicContact CD2-CD2 4.32Å; L8-V136 HydrophobicContact CD2-CG2 3.87Å
9R83.6Confident77.8Confident130 Ų13081.8 Ų81.849%0.49141%0.406SS..Hα-helixtrans-63-51.8175-163.7-170.3-52.9126.217.4111.5G5 D6 T7 L11 R12 E13G5-R9 WeakPolarHBondContact O-CB 2.94Å; G5-R9 PolarHBondContact O-N 3.29Å; D6-R9 IonicContact OD1-CZ 3.7Å; D6-R9 IonicContact OD1-NH1 3.67Å; D6-R9 PolarHBondContact OD1-NH1 2.84Å; D6-R9 IonicContact OD1-NH2 2.71Å; D6-R9 PolarHBondContact OD1-NH2 3.13Å; T7-R9 PolarHBondContact O-N 3.3Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.06Å; R9-R12 WeakPolarHBondContact O-CB 3.05Å; R9-R12 PolarHBondContact O-N 2.72Å; R9-R12 VanDerWaalsContact O-N 3.1Å; R9-E13 WeakPolarHBondContact CG-OE1 3.39Å; R9-E13 WeakPolarHBondContact O-CG 3.39Å; R9-E13 PolarHBondContact O-N 2.95Å
10R78.5Confident78.4Confident112 Ų11278.2 Ų78.242%0.42339%0.389SS..Hα-helixtrans-58.3-40.8178.6-71.6-179.1-65.1151.91.9112.7D6 T7 E13 A14D6-R10 WeakPolarHBondContact O-CG 3.27Å; D6-R10 PolarHBondContact O-N 2.78Å; D6-R10 PolarHBondContact O-NE 3.41Å; T7-R10 PolarHBondContact O-N 3.32Å; T7-R10 PolarHBondContact OG1-NH2 3.01Å; R10-E13 PolarHBondContact O-N 2.78Å; R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.01Å
11L76.9Confident79Confident4 Ų481.5 Ų81.52%0.02140%0.397CS..Hα-helixtrans-64.8-40.4175.8-69173.4000112.2T7 R9 A14 F15 L107 C134 V136 S161T7-L11 HydrophobicContact CG2-CD1 4.46Å; T7-L11 WeakPolarHBondContact O-CG 3.5Å; T7-L11 PolarHBondContact O-N 3.13Å; T7-L11 VanDerWaalsContact O-N 3.08Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.06Å; L11-A14 PolarHBondContact O-N 2.86Å; L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 2.85Å; L11-L107 HydrophobicContact CB-CD1 4.39Å; L11-L107 HydrophobicContact CB-CD2 3.94Å; L11-L107 HydrophobicContact CB-CG 4.17Å; L11-C134 HydrophobicContact CB-CB 4.2Å; L11-C134 HydrophobicContact CD2-CB 4.15Å; L11-C134 PolarHBondContact O-SG 2.95Å; L11-V136 HydrophobicContact CD1-CG2 3.49Å; L11-V136 VanDerWaalsContact CD1-CG2 3.49Å; L11-S161 WeakPolarHBondContact CD2-OG 3.38Å
12R82.3Confident80.8Confident144 Ų14474.1 Ų74.154%0.54337%0.365SS..Hα-helixtrans-63.4-45.2174.2-71.5175.1-173-1661.4111.5L8 R9 F15 H16 L107L8-R12 WeakPolarHBondContact O-CG 3.43Å; L8-R12 PolarHBondContact O-N 2.87Å; L8-R12 VanDerWaalsContact O-N 3.11Å; R9-R12 WeakPolarHBondContact O-CB 3.05Å; R9-R12 PolarHBondContact O-N 2.72Å; R9-R12 VanDerWaalsContact O-N 3.1Å; R12-F15 PolarHBondContact O-N 3.42Å; R12-H16 WeakPolarHBondContact O-CB 3.3Å; R12-H16 PolarHBondContact O-CD2 2.65Å; R12-H16 PolarHBondContact O-N 2.89Å; R12-L107 HydrophobicContact CB-CD1 4.43Å; R12-L107 HydrophobicContact CG-CD1 3.79Å; R12-L107 HydrophobicContact CG-CD2 3.63Å; R12-L107 HydrophobicContact CG-CG 4.38Å
13E87.2Confident81.9Confident110 Ų11070.1 Ų70.151%0.51435%0.346SS..Hα-helixtrans-59.8-45.8176.9-70.8164.7-178.400111.6R9 R10 F15 H16 A17R9-E13 WeakPolarHBondContact CG-OE1 3.39Å; R9-E13 WeakPolarHBondContact O-CG 3.39Å; R9-E13 PolarHBondContact O-N 2.95Å; R10-E13 PolarHBondContact O-N 2.78Å; E13-F15 PolarHBondContact O-N 2.93Å; E13-H16 PolarHBondContact O-N 3.09Å; E13-A17 VanDerWaalsContact O-CB 3.31Å; E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 3.24Å
14A80.1Confident83.4Confident14 Ų1470.6 Ų70.612%0.11634%0.339CS..Hα-helixtrans-61.9-40.8176.600000112.9R10 L11R10-A14 WeakPolarHBondContact O-CB 3.39Å; R10-A14 PolarHBondContact O-N 3.01Å; L11-A14 PolarHBondContact O-N 2.86Å
15F86Confident84.6Confident24 Ų2468.6 Ų68.611%0.10533%0.326CS..Hα-helixtrans-67-46.7174.9-179.2-105.1000112.4L11 R12 E13 A17 G18 T20 P104 G106 L107L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 2.85Å; R12-F15 PolarHBondContact O-N 3.42Å; E13-F15 PolarHBondContact O-N 2.93Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 2.92Å; F15-G18 WeakPolarHBondContact O-CA 3.34Å; F15-G18 PolarHBondContact O-N 3.2Å; F15-T20 WeakPolarHBondContact CD2-OG1 3.44Å; F15-P104 HydrophobicContact CE2-CB 3.89Å; F15-P104 HydrophobicContact CE2-CG 3.68Å; F15-P104 HydrophobicContact CZ-CB 4.23Å; F15-P104 HydrophobicContact CZ-CG 3.94Å; F15-G106 VanDerWaalsContact CE1-CA 3.49Å; F15-G106 VanDerWaalsContact CZ-CA 3.43Å; F15-L107 HydrophobicContact CB-CD1 4.29Å
16H88.9Confident85.7Confident139 Ų13968.1 Ų68.164%0.64432%0.317SS*.Hα-helixtrans-66.2-31.9179.5-72.6-54.2000112.7R12 E13 G18R12-H16 WeakPolarHBondContact O-CB 3.3Å; R12-H16 PolarHBondContact O-CD2 2.65Å; R12-H16 PolarHBondContact O-N 2.89Å; E13-H16 PolarHBondContact O-N 3.09Å; H16-G18 PolarHBondContact O-N 3.07Å; H16-G18 VanDerWaalsContact O-N 3.12Å
17A88.9Confident86.8Confident71 Ų7167.2 Ų67.259%0.58732%0.315SS*.THydrogen-bonded Turntrans-65.1-5.9168.700000113.6E13 F15 R19E13-A17 VanDerWaalsContact O-CB 3.31Å; E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 3.24Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 2.92Å; A17-R19 VanDerWaalsContact C-N 3.28Å; A17-R19 HydrophobicContact CB-CG 4.29Å; A17-R19 PolarHBondContact O-N 2.91Å
18G87.1Confident87.9Confident15 Ų1568.9 Ų68.916%0.15533%0.33CS..THydrogen-bonded Turntrans76.78.1174.300000114.9F15 H16 T20 R21F15-G18 WeakPolarHBondContact O-CA 3.34Å; F15-G18 PolarHBondContact O-N 3.2Å; H16-G18 PolarHBondContact O-N 3.07Å; H16-G18 VanDerWaalsContact O-N 3.12Å; G18-T20 VanDerWaalsContact C-N 3.25Å; G18-T20 PolarHBondContact O-N 3.49Å; G18-R21 VanDerWaalsContact O-CB 3.3Å; G18-R21 WeakPolarHBondContact O-CB 3.47Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å; G18-R21 PolarHBondContact O-N 3.38Å
19R85.6Confident88.5Confident150 Ų15067.2 Ų67.257%0.56632%0.321SS*.THydrogen-bonded Turntrans-56.3-36.3-174.7-68-176.8175.7-170.50113.4A17 R21 P22 F25A17-R19 VanDerWaalsContact C-N 3.28Å; A17-R19 HydrophobicContact CB-CG 4.29Å; A17-R19 PolarHBondContact O-N 2.91Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.98Å; R19-P22 WeakPolarHBondContact O-CD 3.39Å; R19-F25 VanDerWaalsContact O-CG 3.25Å; R19-F25 WeakPolarHBondContact O-CG 3.39Å
20T89.4Confident89.1Confident9 Ų961 Ų616%0.05530%0.297CS..THydrogen-bonded Turntrans-79.8-7.5-17964.10000114.3F15 G18 F25 R26 G132F15-T20 WeakPolarHBondContact CD2-OG1 3.44Å; G18-T20 VanDerWaalsContact C-N 3.25Å; G18-T20 PolarHBondContact O-N 3.49Å; T20-F25 HydrophobicContact CG2-CE1 4.09Å; T20-R26 WeakPolarHBondContact O-CG 3.39Å; T20-R26 PolarHBondContact O-NE 3.3Å; T20-G132 WeakPolarHBondContact CB-O 3.48Å; T20-G132 PolarHBondContact OG1-O 3.11Å
21R89.6Confident90Very high149 Ų14961 Ų6156%0.56230%0.302SS*.  trans-70.8-45.7-173.8-64179178.5-177.80114.3G18 R19 R26G18-R21 VanDerWaalsContact O-CB 3.3Å; G18-R21 WeakPolarHBondContact O-CB 3.47Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å; G18-R21 PolarHBondContact O-N 3.38Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.98Å; R21-R26 PolarHBondContact O-NE 3.43Å; R21-R26 PolarHBondContact O-NH2 3.04Å
22P95.1Very high90.8Very high61 Ų6160.8 Ų60.840%0.39630%0.301SS..SBendtrans-63.7146.3-175.9-22.235000112.9R19 E24 F25 R26R19-P22 WeakPolarHBondContact O-CD 3.39Å; P22-E24 PolarHBondContact O-N 3.35Å; P22-F25 PolarHBondContact O-N 3.1Å; P22-R26 WeakPolarHBondContact O-CG 3.33Å; P22-R26 PolarHBondContact O-N 3.42Å
23A95.3Very high91.4Very high13 Ų1354 Ų5411%0.10728%0.276CS..Hα-helixtrans-65-32.4178.500000111.6R26 A27 R79 M82A23-R26 PolarHBondContact O-N 2.91Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.37Å; A23-R79 HydrophobicContact CB-CG 4.45Å; A23-M82 HydrophobicContact CB-CE 3.86Å; A23-M82 HydrophobicContact CB-SD 3.79Å
24E96.1Very high91.8Very high109 Ų10949 Ų4951%0.50925%0.254SS..Hα-helixtrans-65-43.6-179.2-65.261-135.900110.9P22 A27 A28 R79P22-E24 PolarHBondContact O-N 3.35Å; E24-A27 PolarHBondContact O-N 2.9Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.26Å; E24-R79 IonicContact OE1-CZ 2.71Å; E24-R79 IonicContact OE1-NH2 2.63Å; E24-R79 PolarHBondContact OE1-NH2 3.35Å
25F91.9Very high92.7Very high57 Ų5754.5 Ų54.525%0.2527%0.271CS..Hα-helixtrans-63.1-48.1175.4-178.5-88.3000111R19 T20 P22 A27 A28 Q29 D159R19-F25 VanDerWaalsContact O-CG 3.25Å; R19-F25 WeakPolarHBondContact O-CG 3.39Å; T20-F25 HydrophobicContact CG2-CE1 4.09Å; P22-F25 PolarHBondContact O-N 3.1Å; F25-A27 VanDerWaalsContact C-N 3.35Å; F25-A27 PolarHBondContact O-N 3.24Å; F25-A28 WeakPolarHBondContact O-CB 3.35Å; F25-A28 PolarHBondContact O-N 2.9Å; F25-Q29 HydrophobicContact CD1-CG 4.05Å; F25-Q29 HydrophobicContact CE1-CG 3.65Å; F25-Q29 HydrophobicContact CZ-CG 4.12Å; F25-Q29 WeakPolarHBondContact O-CG 3.48Å; F25-Q29 PolarHBondContact O-N 2.83Å; F25-D159 HydrophobicContact CZ-CB 4.2Å
26R95.4Very high93.1Very high14 Ų1453.3 Ų53.35%0.05327%0.266CS..Hα-helixtrans-62.3-42179.4-59.2-177.9-152.4-168.91.3111.9T20 R21 P22 A23 A28 Q29 L30 L78 L129 A130 A131T20-R26 WeakPolarHBondContact O-CG 3.39Å; T20-R26 PolarHBondContact O-NE 3.3Å; R21-R26 PolarHBondContact O-NE 3.43Å; R21-R26 PolarHBondContact O-NH2 3.04Å; P22-R26 WeakPolarHBondContact O-CG 3.33Å; P22-R26 PolarHBondContact O-N 3.42Å; A23-R26 PolarHBondContact O-N 2.91Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3Å; R26-Q29 PolarHBondContact O-N 3.4Å; R26-L30 WeakPolarHBondContact O-CG 3.16Å; R26-L30 PolarHBondContact O-N 3.29Å; R26-L78 HydrophobicContact CB-CD1 4.41Å; R26-L78 HydrophobicContact CB-CD2 4.01Å; R26-L129 WeakPolarHBondContact CG-O 3.4Å; R26-A130 WeakPolarHBondContact CD-O 3.29Å; R26-A130 PolarHBondContact NH1-O 3.19Å; R26-A131 PolarHBondContact NH1-O 3.05Å
27A96.6Very high93.5Very high21 Ų2146.8 Ų46.817%0.17424%0.236CC..Hα-helixtrans-61-42.1174.700000111.7A23 E24 F25 Q29 L30 Q31 L75 L78A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.37Å; E24-A27 PolarHBondContact O-N 2.9Å; F25-A27 VanDerWaalsContact C-N 3.35Å; F25-A27 PolarHBondContact O-N 3.24Å; A27-Q29 PolarHBondContact O-N 3.29Å; A27-L30 PolarHBondContact O-N 3.23Å; A27-Q31 WeakPolarHBondContact O-CB 3.33Å; A27-Q31 VanDerWaalsContact O-CG 3.29Å; A27-Q31 WeakPolarHBondContact O-CG 3.47Å; A27-Q31 PolarHBondContact O-N 3.08Å; A27-L75 HydrophobicContact CB-CD2 4.14Å; A27-L78 HydrophobicContact CB-CD2 3.98Å
28A93.8Very high93.9Very high44 Ų4449.2 Ų49.236%0.36424%0.235SC..Hα-helixtrans-62.4-40.3175.900000112.5E24 F25 R26 Q31 G32E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.26Å; F25-A28 WeakPolarHBondContact O-CB 3.35Å; F25-A28 PolarHBondContact O-N 2.9Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3Å; A28-Q31 PolarHBondContact O-N 3.09Å; A28-G32 PolarHBondContact O-N 3.07Å
29Q90.9Very high94.4Very high22 Ų2254 Ų5410%0.10325%0.253CS..Hα-helixtrans-64.6-42.6175-57.4-47.3-5900112F25 R26 A27 G32 L33 L129F25-Q29 HydrophobicContact CD1-CG 4.05Å; F25-Q29 HydrophobicContact CE1-CG 3.65Å; F25-Q29 HydrophobicContact CZ-CG 4.12Å; F25-Q29 WeakPolarHBondContact O-CG 3.48Å; F25-Q29 PolarHBondContact O-N 2.83Å; R26-Q29 PolarHBondContact O-N 3.4Å; A27-Q29 PolarHBondContact O-N 3.29Å; Q29-G32 WeakPolarHBondContact O-CA 3.45Å; Q29-G32 PolarHBondContact O-N 2.82Å; Q29-G32 VanDerWaalsContact O-N 3.17Å; Q29-L33 PolarHBondContact O-N 2.88Å; Q29-L129 HydrophobicContact CB-CD1 4.22Å; Q29-L129 HydrophobicContact CB-CD2 4.47Å
30L95.9Very high94.9Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-66.4-38.7177-67.8172.7000112.3R26 A27 G32 L33 G34 V71 A74 L75 L78 V126 L129 A130R26-L30 WeakPolarHBondContact O-CG 3.16Å; R26-L30 PolarHBondContact O-N 3.29Å; A27-L30 PolarHBondContact O-N 3.23Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 2.79Å; L30-L33 PolarHBondContact O-N 3.01Å; L30-G34 PolarHBondContact O-N 3.38Å; L30-V71 WeakPolarHBondContact O-CG1 3.49Å; L30-A74 HydrophobicContact CD1-CB 3.93Å; L30-A74 HydrophobicContact CD2-CB 4.42Å; L30-L75 HydrophobicContact CB-CD1 4.33Å; L30-L75 HydrophobicContact CB-CD2 3.7Å; L30-L75 HydrophobicContact CB-CG 3.8Å; L30-L75 HydrophobicContact CD1-CD2 4.26Å; L30-L75 HydrophobicContact CD1-CG 4.35Å; L30-L78 HydrophobicContact CD1-CD2 4.47Å; L30-V126 HydrophobicContact CD2-CB 4.29Å; L30-V126 HydrophobicContact CD2-CG1 3.94Å; L30-V126 HydrophobicContact CD2-CG2 4.29Å; L30-L129 HydrophobicContact CD2-CB 4.39Å; L30-A130 HydrophobicContact CD1-CB 4.23Å
31Q97.4Very high95.3Very high110 Ų11051.5 Ų51.551%0.51425%0.247SC..Hα-helixtrans-63.1-36.2170.6-74.1167-16.500111.7A27 A28 G34 R35 L75A27-Q31 WeakPolarHBondContact O-CB 3.33Å; A27-Q31 VanDerWaalsContact O-CG 3.29Å; A27-Q31 WeakPolarHBondContact O-CG 3.47Å; A27-Q31 PolarHBondContact O-N 3.08Å; A28-Q31 PolarHBondContact O-N 3.09Å; Q31-G34 PolarHBondContact O-N 2.67Å; Q31-R35 PolarHBondContact O-N 3.12Å; Q31-L75 HydrophobicContact CG-CD1 4.03Å; Q31-L75 HydrophobicContact CG-CD2 3.96Å
32G93.4Very high95.6Very high0 Ų050.1 Ų50.10%025%0.247CC..Hα-helixtrans-54.1-55.6167.900000112.2A28 Q29 L30 G34 R35 F36 Y157A28-G32 PolarHBondContact O-N 3.07Å; Q29-G32 WeakPolarHBondContact O-CA 3.45Å; Q29-G32 PolarHBondContact O-N 2.82Å; Q29-G32 VanDerWaalsContact O-N 3.17Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 2.79Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 2.69Å; G32-R35 PolarHBondContact O-N 2.89Å; G32-R35 VanDerWaalsContact O-N 3.17Å; G32-F36 PolarHBondContact O-N 2.99Å; G32-Y157 WeakPolarHBondContact CA-O 3.4Å
33L94.1Very high95.7Very high3 Ų350.9 Ų50.92%0.01625%0.247CC..Hα-helixtrans-57.9-40.7176.8-66.1-171.2000113.3Q29 L30 F36 L37 V71 L125 V126 L129 L154 V158Q29-L33 PolarHBondContact O-N 2.88Å; L30-L33 PolarHBondContact O-N 3.01Å; L33-F36 WeakPolarHBondContact O-CB 3.36Å; L33-F36 PolarHBondContact O-N 3.18Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.24Å; L33-V71 HydrophobicContact CB-CG2 3.87Å; L33-L125 HydrophobicContact CD1-CD2 4.07Å; L33-L125 HydrophobicContact CD1-CG 4.13Å; L33-L125 HydrophobicContact CD2-CD2 3.94Å; L33-V126 HydrophobicContact CD1-CG2 3.76Å; L33-L129 HydrophobicContact CD1-CD1 3.72Å; L33-L129 HydrophobicContact CG-CD1 4.21Å; L33-L154 HydrophobicContact CD2-CD1 3.51Å; L33-V158 HydrophobicContact CD2-CG1 3.77Å; L33-V158 HydrophobicContact CG-CG1 4.26Å
34G96.8Very high95.8Very high5 Ų550.2 Ų50.25%0.05224%0.242CC..Hα-helixtrans-62.6-42.8176.200000112.5L30 Q31 G32 L37 Q38 Q68L30-G34 PolarHBondContact O-N 3.38Å; Q31-G34 PolarHBondContact O-N 2.67Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 2.69Å; G34-L37 PolarHBondContact O-N 3.11Å; G34-Q38 WeakPolarHBondContact O-CB 3.29Å; G34-Q38 VanDerWaalsContact O-CG 3.22Å; G34-Q38 WeakPolarHBondContact O-CG 3.42Å; G34-Q38 PolarHBondContact O-N 3.26Å; G34-Q38 VanDerWaalsContact O-N 3.07Å; G34-Q68 PolarHBondContact O-OE1 2.89Å
35R97.9Very high95.8Very high128 Ų12845.6 Ų45.648%0.48322%0.22SC..Hα-helixtrans-66-42.4174.1-75.7-169.9-60.6158.84.7112.5Q31 G32 L37 Q38 E39 Y157Q31-R35 PolarHBondContact O-N 3.12Å; G32-R35 PolarHBondContact O-N 2.89Å; G32-R35 VanDerWaalsContact O-N 3.17Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 2.84Å; R35-Q38 PolarHBondContact O-N 3.5Å; R35-E39 WeakPolarHBondContact CB-OE1 3.35Å; R35-E39 WeakPolarHBondContact CD-OE1 3.02Å; R35-E39 VanDerWaalsContact O-CB 3.29Å; R35-E39 WeakPolarHBondContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CG 3.37Å; R35-E39 PolarHBondContact O-N 3.24Å; R35-Y157 HydrophobicContact CB-CD1 3.77Å; R35-Y157 HydrophobicContact CB-CE1 3.83Å
36F95.6Very high96.1Very high0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-53.2-50.3174.7166.3-106.4000111.4G32 L33 N40 L44 L122 I149 L150 V153 L154 Y157G32-F36 PolarHBondContact O-N 2.99Å; L33-F36 WeakPolarHBondContact O-CB 3.36Å; L33-F36 PolarHBondContact O-N 3.18Å; F36-N40 VanDerWaalsContact O-CB 3.29Å; F36-N40 WeakPolarHBondContact O-CB 3.49Å; F36-N40 PolarHBondContact O-N 2.86Å; F36-N40 PolarHBondContact O-ND2 3.33Å; F36-L44 HydrophobicContact CE1-CD2 4.36Å; F36-L44 HydrophobicContact CZ-CD2 3.92Å; F36-L122 HydrophobicContact CE1-CD1 4.21Å; F36-I149 HydrophobicContact CE2-CG2 3.92Å; F36-I149 HydrophobicContact CZ-CG2 3.96Å; F36-L150 HydrophobicContact CE1-CD2 4.25Å; F36-L150 HydrophobicContact CZ-CD2 4.17Å; F36-V153 HydrophobicContact CD2-CG1 4.17Å; F36-V153 HydrophobicContact CE2-CB 4.16Å; F36-V153 HydrophobicContact CE2-CG1 3.99Å; F36-L154 HydrophobicContact CB-CD1 4.37Å; F36-L154 HydrophobicContact CD1-CD1 3.86Å; F36-L154 HydrophobicContact CD2-CB 4.24Å; F36-L154 HydrophobicContact CD2-CD1 4.25Å; F36-L154 HydrophobicContact CE1-CD1 4.18Å; F36-L154 HydrophobicContact CE2-CB 3.93Å; F36-L154 HydrophobicContact CG-CD1 3.89Å; F36-L154 HydrophobicContact CZ-CB 4.1Å; F36-Y157 HydrophobicContact CB-CD1 4.07Å; F36-Y157 HydrophobicContact CB-CD2 3.8Å; F36-Y157 HydrophobicContact CB-CE2 4.32Å; F36-Y157 HydrophobicContact CB-CG 3.67Å; F36-Y157 AromaticContact CD2-CD2 3.87Å; F36-Y157 HydrophobicContact CD2-CD2 3.87Å; F36-Y157 HydrophobicContact CD2-CE2 4.11Å; F36-Y157 HydrophobicContact CG-CD2 4.31Å
37L96.5Very high96Very high2 Ų245.7 Ų45.71%0.0123%0.225CC..Hα-helixtrans-63.3-41.6178.5-74.2168000113.1L33 G34 R35 K41 L44 V64 Q68 V71 L122L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.24Å; G34-L37 PolarHBondContact O-N 3.11Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 2.84Å; L37-K41 PolarHBondContact O-N 2.81Å; L37-L44 HydrophobicContact CD2-CD1 4.16Å; L37-V64 HydrophobicContact CD2-CG1 4.36Å; L37-Q68 HydrophobicContact CD1-CB 4.19Å; L37-V71 HydrophobicContact CD1-CG2 4.31Å; L37-L122 HydrophobicContact CD2-CD1 3.72Å; L37-L122 HydrophobicContact CG-CD1 4.4Å
38Q97.1Very high95.8Very high121 Ų12144.7 Ų44.757%0.56522%0.216SC*.Hα-helixtrans-74.9-49.5-176.6-71.4171.84.500112.7G34 R35G34-Q38 WeakPolarHBondContact O-CB 3.29Å; G34-Q38 VanDerWaalsContact O-CG 3.22Å; G34-Q38 WeakPolarHBondContact O-CG 3.42Å; G34-Q38 PolarHBondContact O-N 3.26Å; G34-Q38 VanDerWaalsContact O-N 3.07Å; R35-Q38 PolarHBondContact O-N 3.5Å
39E97.8Very high95.6Very high115 Ų11544.5 Ų44.554%0.53722%0.215SC..Hα-helixtrans-73.2-29.8-174.4-65.1172.5-156.400112.1R35 Y157R35-E39 WeakPolarHBondContact CB-OE1 3.35Å; R35-E39 WeakPolarHBondContact CD-OE1 3.02Å; R35-E39 VanDerWaalsContact O-CB 3.29Å; R35-E39 WeakPolarHBondContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CG 3.37Å; R35-E39 PolarHBondContact O-N 3.24Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.48Å; E39-Y157 PolarHBondContact OE2-OH 2.67Å
40N96.8Very high95.5Very high24 Ų2449.3 Ų49.313%0.12824%0.238CC..THydrogen-bonded Turntrans-103.413-177.9-56.2-86.5000113.2F36 Q42 L43 L44 V153 Y157F36-N40 VanDerWaalsContact O-CB 3.29Å; F36-N40 WeakPolarHBondContact O-CB 3.49Å; F36-N40 PolarHBondContact O-N 2.86Å; F36-N40 PolarHBondContact O-ND2 3.33Å; N40-Q42 VanDerWaalsContact C-N 3.34Å; N40-Q42 PolarHBondContact O-N 3.4Å; N40-L43 HydrophobicContact CB-CB 4.48Å; N40-L43 WeakPolarHBondContact O-CB 3.47Å; N40-L43 PolarHBondContact O-N 3.35Å; N40-L44 HydrophobicContact CB-CD1 4.41Å; N40-L44 HydrophobicContact CB-CG 4.35Å; N40-L44 WeakPolarHBondContact O-CG 3.21Å; N40-L44 PolarHBondContact O-N 3.35Å; N40-V153 WeakPolarHBondContact OD1-CG1 3.4Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.48Å; N40-Y157 PolarHBondContact ND2-OH 2.71Å; N40-Y157 VanDerWaalsContact ND2-OH 3.07Å
41K96.4Very high95Very high83 Ų8350.9 Ų50.936%0.36125%0.246SC..Hα-helixtrans-49.6-47.6-173.3175.8166.7166.8162.10114.2L37 L44 H45 E60L37-K41 PolarHBondContact O-N 2.81Å; K41-L44 PolarHBondContact O-N 2.81Å; K41-H45 PolarHBondContact O-CD2 3.44Å; K41-H45 PolarHBondContact O-N 3.47Å; K41-E60 WeakPolarHBondContact CE-OE2 3.46Å; K41-E60 IonicContact NZ-OE1 3.08Å; K41-E60 PolarHBondContact NZ-OE1 2.86Å; K41-E60 IonicContact NZ-OE2 2.63Å; K41-E60 PolarHBondContact NZ-OE2 2.91Å; K41-E60 VanDerWaalsContact NZ-OE2 3.09Å
42Q97.4Very high94.4Very high120 Ų12047.3 Ų47.356%0.56123%0.23SC*.Hα-helixtrans-63.7-46.7178.2-172.662.551.800111.6N40 L44 H45 D46N40-Q42 VanDerWaalsContact C-N 3.34Å; N40-Q42 PolarHBondContact O-N 3.4Å; Q42-L44 VanDerWaalsContact C-N 3.26Å; Q42-L44 PolarHBondContact O-N 3.07Å; Q42-H45 PolarHBondContact O-N 3.35Å; Q42-H45 VanDerWaalsContact O-N 3.13Å; Q42-D46 PolarHBondContact NE2-OD1 3.1Å; Q42-D46 WeakPolarHBondContact O-CB 3.25Å; Q42-D46 PolarHBondContact O-N 3.33Å
43L97.3Very high94.1Very high77 Ų7752.8 Ų52.840%0.40326%0.256SS..Hα-helixtrans-59.3-36.9177.617763.6000112.1N40 A47 I149 V153N40-L43 HydrophobicContact CB-CB 4.48Å; N40-L43 WeakPolarHBondContact O-CB 3.47Å; N40-L43 PolarHBondContact O-N 3.35Å; L43-A47 WeakPolarHBondContact O-CB 3.32Å; L43-A47 PolarHBondContact O-N 3.13Å; L43-A47 VanDerWaalsContact O-N 3.11Å; L43-I149 HydrophobicContact CD1-CD1 4.05Å; L43-I149 HydrophobicContact CD1-CG1 4.37Å; L43-I149 HydrophobicContact CD2-CD1 4.39Å; L43-I149 HydrophobicContact CD2-CG1 4.19Å; L43-I149 HydrophobicContact CD2-CG2 4.4Å; L43-I149 HydrophobicContact CG-CD1 3.72Å; L43-I149 HydrophobicContact CG-CG1 4.05Å; L43-I149 WeakPolarHBondContact O-CD1 3.31Å; L43-V153 HydrophobicContact CD2-CG2 4.25Å
44L96.8Very high93.8Very high0 Ų053.3 Ų53.30%026%0.258CS..Hα-helixtrans-69.2-42.5175.3-65.6169.8000111.9F36 L37 N40 K41 Q42 A47 L48 L118 I149F36-L44 HydrophobicContact CE1-CD2 4.36Å; F36-L44 HydrophobicContact CZ-CD2 3.92Å; L37-L44 HydrophobicContact CD2-CD1 4.16Å; N40-L44 HydrophobicContact CB-CD1 4.41Å; N40-L44 HydrophobicContact CB-CG 4.35Å; N40-L44 WeakPolarHBondContact O-CG 3.21Å; N40-L44 PolarHBondContact O-N 3.35Å; K41-L44 PolarHBondContact O-N 2.81Å; Q42-L44 VanDerWaalsContact C-N 3.26Å; Q42-L44 PolarHBondContact O-N 3.07Å; L44-A47 PolarHBondContact O-N 3.4Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 2.69Å; L44-L118 HydrophobicContact CB-CD1 3.93Å; L44-L118 HydrophobicContact CD1-CD1 4.41Å; L44-L118 HydrophobicContact CD2-CD1 3.75Å; L44-L118 HydrophobicContact CD2-CD2 3.78Å; L44-L118 HydrophobicContact CD2-CG 4.43Å; L44-L118 HydrophobicContact CG-CD1 4.24Å; L44-I149 HydrophobicContact CD2-CG2 3.75Å
45H96.6Very high93.5Very high12 Ų1256.1 Ų56.16%0.05628%0.276CS..Hα-helixtrans-63.6-45.3174.4-70.3-172.8000111.6K41 Q42 A47 L48 A49 A56 E60K41-H45 PolarHBondContact O-CD2 3.44Å; K41-H45 PolarHBondContact O-N 3.47Å; Q42-H45 PolarHBondContact O-N 3.35Å; Q42-H45 VanDerWaalsContact O-N 3.13Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.13Å; H45-L48 PolarHBondContact O-N 3.32Å; H45-A49 WeakPolarHBondContact O-CB 3.47Å; H45-A49 PolarHBondContact O-N 3.18Å; H45-A56 HydrophobicContact CB-CB 4.43Å; H45-A56 PolarHBondContact CE1-O 3.35Å; H45-E60 IonicContact CE1-OE2 3.99Å; H45-E60 PolarHBondContact CE1-OE2 2.91Å; H45-E60 VanDerWaalsContact CE1-OE2 3.3Å; H45-E60 IonicContact NE2-OE2 2.72Å; H45-E60 PolarHBondContact NE2-OE2 3.04Å
46D96.9Very high93.2Very high70 Ų7052.6 Ų52.637%0.37428%0.275SS..Hα-helixtrans-63.3-36.2179.5-64.3-20.4000111.7Q42 Q50Q42-D46 PolarHBondContact NE2-OD1 3.1Å; Q42-D46 WeakPolarHBondContact O-CB 3.25Å; Q42-D46 PolarHBondContact O-N 3.33Å; D46-Q50 VanDerWaalsContact O-CG 3.31Å; D46-Q50 WeakPolarHBondContact O-CG 3.16Å; D46-Q50 PolarHBondContact O-N 2.91Å; D46-Q50 VanDerWaalsContact O-N 3.08Å; D46-Q50 PolarHBondContact O-NE2 2.92Å
47A93.9Very high93Very high2 Ų260.2 Ų60.22%0.01731%0.308CS..Hα-helixtrans-71.9-40175.400000112.9L43 L44 H45 A49 Q50 D51 N145 V146 I149L43-A47 WeakPolarHBondContact O-CB 3.32Å; L43-A47 PolarHBondContact O-N 3.13Å; L43-A47 VanDerWaalsContact O-N 3.11Å; L44-A47 PolarHBondContact O-N 3.4Å; H45-A47 VanDerWaalsContact C-N 3.3Å; H45-A47 PolarHBondContact O-N 3.13Å; A47-A49 VanDerWaalsContact C-N 3.32Å; A47-Q50 PolarHBondContact O-N 3.06Å; A47-D51 WeakPolarHBondContact O-CB 3.33Å; A47-D51 PolarHBondContact O-N 3.31Å; A47-N145 HydrophobicContact CB-CB 3.65Å; A47-V146 HydrophobicContact CB-CG2 3.97Å; A47-I149 HydrophobicContact CB-CD1 3.33Å
48L91.7Very high92.5Very high0 Ų063.7 Ų63.70%033%0.325CS..Hα-helixtrans-65.6-35.6174-75.3172.5000112.2L44 H45 L52 H53 S59 E63 P117 L118 V146L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 2.69Å; H45-L48 PolarHBondContact O-N 3.32Å; L48-L52 HydrophobicContact CD2-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CA 3.42Å; L48-L52 WeakPolarHBondContact O-CB 3.19Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-H53 PolarHBondContact O-N 2.91Å; L48-S59 WeakPolarHBondContact CB-OG 2.91Å; L48-E63 HydrophobicContact CD1-CB 4.32Å; L48-E63 VanDerWaalsContact CD2-OE1 3.28Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.44Å; L48-P117 HydrophobicContact CD2-CG 3.76Å; L48-L118 HydrophobicContact CD1-CD1 3.87Å; L48-L118 HydrophobicContact CG-CD1 4.34Å; L48-V146 HydrophobicContact CD2-CG2 3.86Å; L48-V146 HydrophobicContact CG-CG2 4.11Å
49A91.1Very high92.3Very high41 Ų4158 Ų5834%0.33930%0.298SS..Hα-helixtrans-64.4-40.7171.100000112H45 A47 H53 K54H45-A49 WeakPolarHBondContact O-CB 3.47Å; H45-A49 PolarHBondContact O-N 3.18Å; A47-A49 VanDerWaalsContact C-N 3.32Å; A49-H53 WeakPolarHBondContact O-CA 3.5Å; A49-H53 PolarHBondContact O-N 3.45Å; A49-K54 WeakPolarHBondContact CA-O 3.34Å
50Q89.1Confident92.1Very high123 Ų12354.7 Ų54.758%0.57528%0.283SS*.Hα-helixtrans-73.2-35.4177.9-75.316880.200114.1D46 A47D46-Q50 VanDerWaalsContact O-CG 3.31Å; D46-Q50 WeakPolarHBondContact O-CG 3.16Å; D46-Q50 PolarHBondContact O-N 2.91Å; D46-Q50 VanDerWaalsContact O-N 3.08Å; D46-Q50 PolarHBondContact O-NE2 2.92Å; A47-Q50 PolarHBondContact O-N 3.06Å
51D85.4Confident91.8Very high32 Ų3257.1 Ų57.117%0.17130%0.298CS..Hα-helixtrans-85.2-34.2-176.9-74.9-26.5000112.9A47 S143 K144 N145 V146A47-D51 WeakPolarHBondContact O-CB 3.33Å; A47-D51 PolarHBondContact O-N 3.31Å; D51-S143 WeakPolarHBondContact OD2-CA 3.4Å; D51-S143 WeakPolarHBondContact OD2-CB 3.17Å; D51-K144 PolarHBondContact OD1-N 2.99Å; D51-K144 VanDerWaalsContact OD1-N 3.09Å; D51-K144 PolarHBondContact OD2-N 3.3Å; D51-N145 PolarHBondContact OD1-N 2.88Å; D51-N145 PolarHBondContact OD1-ND2 3.11Å; D51-N145 WeakPolarHBondContact OD2-CB 3.44Å; D51-N145 PolarHBondContact OD2-N 3.04Å; D51-V146 PolarHBondContact OD2-N 3.34Å
52L84.6Confident91.5Very high36 Ų3653.5 Ų53.519%0.18828%0.283CS..Hα-helixtrans-1341.4-168.2-60.6175.8000114.3L48 K54 W114 P117L48-L52 HydrophobicContact CD2-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CA 3.42Å; L48-L52 WeakPolarHBondContact O-CB 3.19Å; L48-L52 PolarHBondContact O-N 3.18Å; L52-K54 HydrophobicContact CB-CD 4.43Å; L52-K54 HydrophobicContact CB-CG 3.92Å; L52-K54 HydrophobicContact CD1-CD 4.26Å; L52-K54 PolarHBondContact O-N 2.91Å; L52-K54 VanDerWaalsContact O-N 3.1Å; L52-W114 HydrophobicContact CD2-CE3 3.92Å; L52-W114 HydrophobicContact CD2-CZ3 4.24Å; L52-P117 HydrophobicContact CD1-CG 4.17Å
53H86.3Confident91.3Very high115 Ų11547.8 Ų47.853%0.53226%0.257SS..  trans57.219.3-174.5-57.6-105.6000114.3L48 A49 D196L48-H53 PolarHBondContact O-N 2.91Å; A49-H53 WeakPolarHBondContact O-CA 3.5Å; A49-H53 PolarHBondContact O-N 3.45Å; H53-D196 IonicContact CE1-OD1 3.84Å
54K87Confident91.3Very high14 Ų1444.4 Ų44.46%0.06124%0.239CC..  trans-66.8138176.4-69.5-169.8178.7173.50110.9A49 L52 E58 S59 E63 N115A49-K54 WeakPolarHBondContact CA-O 3.34Å; L52-K54 HydrophobicContact CB-CD 4.43Å; L52-K54 HydrophobicContact CB-CG 3.92Å; L52-K54 HydrophobicContact CD1-CD 4.26Å; L52-K54 PolarHBondContact O-N 2.91Å; L52-K54 VanDerWaalsContact O-N 3.1Å; K54-E58 HydrophobicContact CB-CB 4.5Å; K54-E58 HydrophobicContact CD-CG 4.3Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.43Å; K54-E58 WeakPolarHBondContact CG-OE1 3.4Å; K54-S59 WeakPolarHBondContact CB-OG 3.38Å; K54-E63 IonicContact NZ-OE1 3.75Å; K54-E63 PolarHBondContact NZ-OE1 3.37Å; K54-N115 PolarHBondContact NZ-O 2.95Å
55S91.1Very high91.2Very high63 Ų6346.5 Ų46.544%0.44126%0.256SS..  trans-66158.4169.468.80000111.1F57 E58 S59S55-F57 PolarHBondContact O-N 3.26Å; S55-E58 PolarHBondContact O-N 3.2Å; S55-E58 WeakPolarHBondContact OG-CB 3.26Å; S55-E58 PolarHBondContact OG-N 2.71Å; S55-E58 VanDerWaalsContact OG-N 3.08Å; S55-S59 VanDerWaalsContact O-CB 3.3Å; S55-S59 WeakPolarHBondContact O-CB 2.97Å; S55-S59 PolarHBondContact O-N 2.86Å; S55-S59 PolarHBondContact O-OG 2.72Å
56A91.9Very high91Very high55 Ų5547.4 Ų47.446%0.45526%0.261SS..Hα-helixtrans-58.3-34.517300000112.3H45 E60H45-A56 HydrophobicContact CB-CB 4.43Å; H45-A56 PolarHBondContact CE1-O 3.35Å; A56-E60 WeakPolarHBondContact O-CB 3.2Å; A56-E60 PolarHBondContact O-N 2.81Å
57F91.3Very high91Very high160 Ų16044.1 Ų44.170%0.70224%0.243SC*.Hα-helixtrans-64.3-50.4174.8178.2-93.5000111.9S55 E60 V61S55-F57 PolarHBondContact O-N 3.26Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 2.96Å; F57-V61 HydrophobicContact CE1-CG1 4.42Å; F57-V61 HydrophobicContact CE1-CG2 4.4Å; F57-V61 HydrophobicContact CE2-CG1 4.36Å; F57-V61 HydrophobicContact CZ-CG1 4.19Å; F57-V61 WeakPolarHBondContact O-CG2 3.45Å; F57-V61 PolarHBondContact O-N 2.85Å; F57-V61 VanDerWaalsContact O-N 3.07Å
58E86.9Confident91.1Very high75 Ų7545.8 Ų45.835%0.3525%0.251SS..Hα-helixtrans-63.5-43.1178.6-172.7-169.1160.800111.9K54 S55 E60 V61 S62K54-E58 HydrophobicContact CB-CB 4.5Å; K54-E58 HydrophobicContact CD-CG 4.3Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 HydrophobicContact CG-CG 4.43Å; K54-E58 WeakPolarHBondContact CG-OE1 3.4Å; S55-E58 PolarHBondContact O-N 3.2Å; S55-E58 WeakPolarHBondContact OG-CB 3.26Å; S55-E58 PolarHBondContact OG-N 2.71Å; S55-E58 VanDerWaalsContact OG-N 3.08Å; E58-E60 VanDerWaalsContact C-N 3.28Å; E58-E60 PolarHBondContact O-N 3.49Å; E58-V61 PolarHBondContact O-N 2.91Å; E58-S62 VanDerWaalsContact O-CB 3.32Å; E58-S62 WeakPolarHBondContact O-CB 3.3Å; E58-S62 PolarHBondContact O-N 3.2Å; E58-S62 PolarHBondContact O-OG 3.49Å
59S91.4Very high91.4Very high0 Ų047.7 Ų47.70%027%0.27CS..Hα-helixtrans-58.6-40.2175.9-61.90000111.9L48 K54 S55 E63 V64L48-S59 WeakPolarHBondContact CB-OG 2.91Å; K54-S59 WeakPolarHBondContact CB-OG 3.38Å; S55-S59 VanDerWaalsContact O-CB 3.3Å; S55-S59 WeakPolarHBondContact O-CB 2.97Å; S55-S59 PolarHBondContact O-N 2.86Å; S55-S59 PolarHBondContact O-OG 2.72Å; S59-E63 PolarHBondContact O-N 3.06Å; S59-V64 PolarHBondContact O-N 3.17Å; S59-V64 VanDerWaalsContact O-N 3.14Å
60E94.3Very high91.7Very high47 Ų4746 Ų4622%0.2226%0.256CS..Iπ-helixtrans-65.1-57175.4-174.167.5177.100111.7K41 H45 A56 F57 E58 S62 V64 A65K41-E60 WeakPolarHBondContact CE-OE2 3.46Å; K41-E60 IonicContact NZ-OE1 3.08Å; K41-E60 PolarHBondContact NZ-OE1 2.86Å; K41-E60 IonicContact NZ-OE2 2.63Å; K41-E60 PolarHBondContact NZ-OE2 2.91Å; K41-E60 VanDerWaalsContact NZ-OE2 3.09Å; H45-E60 IonicContact CE1-OE2 3.99Å; H45-E60 PolarHBondContact CE1-OE2 2.91Å; H45-E60 VanDerWaalsContact CE1-OE2 3.3Å; H45-E60 IonicContact NE2-OE2 2.72Å; H45-E60 PolarHBondContact NE2-OE2 3.04Å; A56-E60 WeakPolarHBondContact O-CB 3.2Å; A56-E60 PolarHBondContact O-N 2.81Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 2.96Å; E58-E60 VanDerWaalsContact C-N 3.28Å; E58-E60 PolarHBondContact O-N 3.49Å; E60-S62 PolarHBondContact O-N 3.38Å; E60-V64 PolarHBondContact O-N 3Å; E60-A65 HydrophobicContact CG-CB 4.47Å; E60-A65 WeakPolarHBondContact O-CB 3.18Å; E60-A65 PolarHBondContact O-N 3.36Å
61V91.2Very high92.1Very high75 Ų7540.2 Ų40.246%0.45523%0.229SC..Iπ-helixtrans-73.9-29.5-169.9-58.10000113.4F57 E58F57-V61 HydrophobicContact CE1-CG1 4.42Å; F57-V61 HydrophobicContact CE1-CG2 4.4Å; F57-V61 HydrophobicContact CE2-CG1 4.36Å; F57-V61 HydrophobicContact CZ-CG1 4.19Å; F57-V61 WeakPolarHBondContact O-CG2 3.45Å; F57-V61 PolarHBondContact O-N 2.85Å; F57-V61 VanDerWaalsContact O-N 3.07Å; E58-V61 PolarHBondContact O-N 2.91Å
62S89.1Confident92.7Very high7 Ų742.3 Ų42.35%0.04924%0.243CC..Iπ-helixtrans-96.8-15.1-17671.20000114.7E58 E60E58-S62 VanDerWaalsContact O-CB 3.32Å; E58-S62 WeakPolarHBondContact O-CB 3.3Å; E58-S62 PolarHBondContact O-N 3.2Å; E58-S62 PolarHBondContact O-OG 3.49Å; E60-S62 PolarHBondContact O-N 3.38Å
63E94.1Very high93.4Very high0 Ų043.1 Ų43.10%025%0.247CC..Iπ-helixtrans-136-59.6-176.3-57.2-160.4-133.100114.7L48 K54 S59 S67 Y116 P117 L118 N119L48-E63 HydrophobicContact CD1-CB 4.32Å; L48-E63 VanDerWaalsContact CD2-OE1 3.28Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.44Å; K54-E63 IonicContact NZ-OE1 3.75Å; K54-E63 PolarHBondContact NZ-OE1 3.37Å; S59-E63 PolarHBondContact O-N 3.06Å; E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.49Å; E63-S67 PolarHBondContact O-N 2.92Å; E63-S67 PolarHBondContact O-OG 3.3Å; E63-Y116 HydrophobicContact CG-CD1 3.89Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.32Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.25Å; E63-P117 WeakPolarHBondContact OE1-CD 3.41Å; E63-P117 VanDerWaalsContact OE2-CD 3.25Å; E63-P117 WeakPolarHBondContact OE2-CD 3.35Å; E63-P117 VanDerWaalsContact OE2-N 3.11Å; E63-L118 HydrophobicContact CB-CB 4.22Å; E63-L118 WeakPolarHBondContact OE2-CA 3.48Å; E63-L118 WeakPolarHBondContact OE2-CB 3.47Å; E63-L118 PolarHBondContact OE2-N 2.88Å; E63-N119 HydrophobicContact CB-CB 4.3Å; E63-N119 HydrophobicContact CG-CB 4.13Å; E63-N119 PolarHBondContact OE2-N 3.22Å
64V95.6Very high93.9Very high5 Ų537.7 Ų37.73%0.0322%0.222CC..Iπ-helixtrans-68.6-49.7-172-179.80000111.2L37 S59 E60 S67 Q68 L118L37-V64 HydrophobicContact CD2-CG1 4.36Å; S59-V64 PolarHBondContact O-N 3.17Å; S59-V64 VanDerWaalsContact O-N 3.14Å; E60-V64 PolarHBondContact O-N 3Å; V64-S67 PolarHBondContact O-N 3.28Å; V64-Q68 VanDerWaalsContact O-CB 3.3Å; V64-Q68 WeakPolarHBondContact O-CB 3.46Å; V64-Q68 PolarHBondContact O-N 3.07Å; V64-L118 HydrophobicContact CG2-CD1 4.4Å
65A95.3Very high94.5Very high44 Ų4439.7 Ų39.736%0.36423%0.233SC..Hα-helixtrans-67.7-37.1-177.900000112.6E60 Q68 G69E60-A65 HydrophobicContact CG-CB 4.47Å; E60-A65 WeakPolarHBondContact O-CB 3.18Å; E60-A65 PolarHBondContact O-N 3.36Å; A65-Q68 PolarHBondContact O-N 2.68Å; A65-G69 PolarHBondContact O-N 3.39Å
66I93.4Very high94.8Very high32 Ų3247 Ų4716%0.16425%0.251CS..Hα-helixtrans-64.5-49.2175.4-62.9-177.6000110.1Q68 G69 E70 N119 V123I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.94Å; I66-G69 PolarHBondContact O-N 2.85Å; I66-G69 VanDerWaalsContact O-N 3.15Å; I66-E70 PolarHBondContact O-N 3.41Å; I66-N119 WeakPolarHBondContact CG2-OD1 3.21Å; I66-V123 HydrophobicContact CG2-CG2 4.4Å
67S95.4Very high95.1Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-60-41.7177.4-56.40000111.8E63 V64 E70 V71E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.49Å; E63-S67 PolarHBondContact O-N 2.92Å; E63-S67 PolarHBondContact O-OG 3.3Å; V64-S67 PolarHBondContact O-N 3.28Å; S67-E70 PolarHBondContact O-N 3.4Å; S67-V71 WeakPolarHBondContact O-CG2 3.28Å; S67-V71 PolarHBondContact O-N 3.14Å
68Q97.5Very high95.4Very high37 Ų3739.3 Ų39.317%0.17321%0.209CC..Hα-helixtrans-66.9-36.9176.7-176.460.851.100112.2G34 L37 V64 A65 I66 T72G34-Q68 PolarHBondContact O-OE1 2.89Å; L37-Q68 HydrophobicContact CD1-CB 4.19Å; V64-Q68 VanDerWaalsContact O-CB 3.3Å; V64-Q68 WeakPolarHBondContact O-CB 3.46Å; V64-Q68 PolarHBondContact O-N 3.07Å; A65-Q68 PolarHBondContact O-N 2.68Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.94Å; Q68-T72 WeakPolarHBondContact O-CB 3.46Å; Q68-T72 PolarHBondContact O-N 3.5Å; Q68-T72 PolarHBondContact O-OG1 3.17Å
69G96.9Very high96Very high40 Ų4044 Ų4441%0.41222%0.224SC..Hα-helixtrans-61.9-46173.600000111.9A65 I66 T72 L73A65-G69 PolarHBondContact O-N 3.39Å; I66-G69 PolarHBondContact O-N 2.85Å; I66-G69 VanDerWaalsContact O-N 3.15Å; G69-T72 PolarHBondContact O-N 3.01Å; G69-L73 WeakPolarHBondContact O-CB 3.46Å; G69-L73 PolarHBondContact O-N 3.01Å
70E97.5Very high96.3Very high6 Ų646.7 Ų46.73%0.02825%0.246CC..Hα-helixtrans-62.7-45.8175.8-80.9-76.4178.900112.5I66 S67 T72 L73 A74 V123 V126 A281 H297 G298I66-E70 PolarHBondContact O-N 3.41Å; S67-E70 PolarHBondContact O-N 3.4Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 PolarHBondContact O-N 2.63Å; E70-L73 PolarHBondContact O-N 2.91Å; E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.26Å; E70-A74 PolarHBondContact O-N 2.91Å; E70-V123 HydrophobicContact CB-CG2 4.33Å; E70-V123 HydrophobicContact CG-CB 4.46Å; E70-V123 HydrophobicContact CG-CG1 3.81Å; E70-V123 HydrophobicContact CG-CG2 3.97Å; E70-V126 HydrophobicContact CB-CG1 4.42Å; E70-A281 WeakPolarHBondContact OE1-CB 3.4Å; E70-H297 WeakPolarHBondContact OE1-CA 3.48Å; E70-H297 IonicContact OE1-CG 2.69Å; E70-G298 VanDerWaalsContact CD-N 3.31Å; E70-G298 PolarHBondContact OE1-N 2.95Å; E70-G298 VanDerWaalsContact OE2-CA 3.29Å; E70-G298 WeakPolarHBondContact OE2-CA 3.36Å; E70-G298 PolarHBondContact OE2-N 2.85Å
71V97.8Very high96.5Very high1 Ų145.7 Ų45.71%0.00624%0.24CC..Hα-helixtrans-54.3-46.9171.71680000111.1L30 L33 L37 S67 A74 L75 V126L30-V71 WeakPolarHBondContact O-CG1 3.49Å; L33-V71 HydrophobicContact CB-CG2 3.87Å; L37-V71 HydrophobicContact CD1-CG2 4.31Å; S67-V71 WeakPolarHBondContact O-CG2 3.28Å; S67-V71 PolarHBondContact O-N 3.14Å; V71-A74 PolarHBondContact O-N 3.28Å; V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 WeakPolarHBondContact O-CG 3.5Å; V71-L75 PolarHBondContact O-N 3.32Å; V71-V126 HydrophobicContact CB-CG2 4.49Å; V71-V126 HydrophobicContact CG2-CG2 3.52Å
72T98.3Very high96.8Very high76 Ų7644.5 Ų44.547%0.46623%0.23SC..Hα-helixtrans-67.8-41.8-177.1-55.10000111.6Q68 G69 E70 L75 R76Q68-T72 WeakPolarHBondContact O-CB 3.46Å; Q68-T72 PolarHBondContact O-N 3.5Å; Q68-T72 PolarHBondContact O-OG1 3.17Å; G69-T72 PolarHBondContact O-N 3.01Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 PolarHBondContact O-N 2.63Å; T72-L75 PolarHBondContact O-N 3.31Å; T72-R76 WeakPolarHBondContact O-CB 3.48Å; T72-R76 PolarHBondContact O-N 3.08Å
73L98.3Very high97.2Very high54 Ų5450.8 Ų50.828%0.28326%0.257SS..Hα-helixtrans-63.5-44.7176.1-178.168.5000111.3G69 E70 R76 N77 W81 A281G69-L73 WeakPolarHBondContact O-CB 3.46Å; G69-L73 PolarHBondContact O-N 3.01Å; E70-L73 PolarHBondContact O-N 2.91Å; L73-R76 PolarHBondContact O-N 3.27Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.46Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.25Å; L73-N77 VanDerWaalsContact O-N 3.16Å; L73-N77 PolarHBondContact O-ND2 2.77Å; L73-W81 HydrophobicContact CG-CH2 4.36Å; L73-W81 HydrophobicContact CG-CZ2 4.3Å; L73-A281 HydrophobicContact CD2-CB 3.51Å
74A98.1Very high97.4Very high0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-62.4-49.2176.600000111.3L30 E70 V71 R76 N77 L78 W81 V126L30-A74 HydrophobicContact CD1-CB 3.93Å; L30-A74 HydrophobicContact CD2-CB 4.42Å; E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.26Å; E70-A74 PolarHBondContact O-N 2.91Å; V71-A74 PolarHBondContact O-N 3.28Å; A74-R76 PolarHBondContact O-N 2.68Å; A74-N77 PolarHBondContact O-N 2.7Å; A74-L78 WeakPolarHBondContact O-CA 3.3Å; A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 3.17Å; A74-W81 HydrophobicContact CB-CH2 4.15Å; A74-W81 HydrophobicContact CB-CZ3 3.81Å; A74-V126 HydrophobicContact CB-CG1 3.57Å
75L98.4Very high97.4Very high57 Ų5757.7 Ų57.730%0.29829%0.29SS..Hα-helixtrans-57.2-45.5176.9-79.6168.6000112.8A27 L30 Q31 V71 T72 N77A27-L75 HydrophobicContact CB-CD2 4.14Å; L30-L75 HydrophobicContact CB-CD1 4.33Å; L30-L75 HydrophobicContact CB-CD2 3.7Å; L30-L75 HydrophobicContact CB-CG 3.8Å; L30-L75 HydrophobicContact CD1-CD2 4.26Å; L30-L75 HydrophobicContact CD1-CG 4.35Å; Q31-L75 HydrophobicContact CG-CD1 4.03Å; Q31-L75 HydrophobicContact CG-CD2 3.96Å; V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 WeakPolarHBondContact O-CG 3.5Å; V71-L75 PolarHBondContact O-N 3.32Å; T72-L75 PolarHBondContact O-N 3.31Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.23Å
76R98.4Very high97.5Very high217 Ų21763.5 Ų63.582%0.81930%0.303SS*.Hα-helixtrans-61.8-33.5178.9179.7175.2173.3-179.3-1.8112.9T72 L73 A74T72-R76 WeakPolarHBondContact O-CB 3.48Å; T72-R76 PolarHBondContact O-N 3.08Å; L73-R76 PolarHBondContact O-N 3.27Å; A74-R76 PolarHBondContact O-N 2.68Å
77N98.4Very high97.5Very high46 Ų4664.3 Ų64.325%0.24631%0.309CS..Hα-helixtrans-112.5-6-170.5-64.3-78.9000115.1L73 A74 L75 R79 A80 W81L73-N77 WeakPolarHBondContact CD1-ND2 3.46Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.25Å; L73-N77 VanDerWaalsContact O-N 3.16Å; L73-N77 PolarHBondContact O-ND2 2.77Å; A74-N77 PolarHBondContact O-N 2.7Å; L75-N77 VanDerWaalsContact C-N 3.27Å; L75-N77 PolarHBondContact O-N 3.23Å; N77-R79 VanDerWaalsContact C-N 3.33Å; N77-R79 PolarHBondContact O-N 2.81Å; N77-A80 WeakPolarHBondContact O-CA 3.44Å; N77-A80 WeakPolarHBondContact O-CB 3.22Å; N77-A80 PolarHBondContact O-N 3.3Å; N77-W81 HydrophobicContact CB-CD2 3.97Å; N77-W81 VanDerWaalsContact CB-CE2 3.41Å; N77-W81 HydrophobicContact CB-CG 4.25Å; N77-W81 HydrophobicContact CB-CZ2 3.77Å; N77-W81 VanDerWaalsContact CB-NE1 3.33Å; N77-W81 PolarHBondContact O-N 3.19Å
78L98.1Very high97.3Very high6 Ų669.4 Ų69.43%0.03134%0.342CS..Hα-helixtrans-47.2-51.7-173.7179.264.6000112.9R26 A27 L30 A74 A80 W81 M82 A130R26-L78 HydrophobicContact CB-CD1 4.41Å; R26-L78 HydrophobicContact CB-CD2 4.01Å; A27-L78 HydrophobicContact CB-CD2 3.98Å; L30-L78 HydrophobicContact CD1-CD2 4.47Å; A74-L78 WeakPolarHBondContact O-CA 3.3Å; A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 3.17Å; L78-A80 PolarHBondContact O-N 3.34Å; L78-W81 PolarHBondContact O-N 2.97Å; L78-M82 HydrophobicContact CD1-CG 4.26Å; L78-M82 HydrophobicContact CD1-SD 3.82Å; L78-M82 HydrophobicContact CG-SD 3.85Å; L78-M82 WeakPolarHBondContact O-CB 2.92Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.15Å; L78-M82 PolarHBondContact O-N 3.15Å; L78-A130 HydrophobicContact CD1-CB 3.98Å; L78-A130 WeakPolarHBondContact CD1-O 3.18Å
79R97.9Very high97Very high175 Ų17571.3 Ų71.366%0.6635%0.35SS*.Hα-helixtrans-66.9-20.8179-73.8-174.8168.1-167.2-4.6114A23 E24 N77 K83A23-R79 HydrophobicContact CB-CG 4.45Å; E24-R79 IonicContact OE1-CZ 2.71Å; E24-R79 IonicContact OE1-NH2 2.63Å; E24-R79 PolarHBondContact OE1-NH2 3.35Å; N77-R79 VanDerWaalsContact C-N 3.33Å; N77-R79 PolarHBondContact O-N 2.81Å; R79-K83 WeakPolarHBondContact O-CG 3.4Å
80A98.1Very high96.7Very high56 Ų5671.3 Ų71.346%0.46334%0.341SS..Hα-helixtrans-83.3-43.3172.500000111N77 L78 M82 K83N77-A80 WeakPolarHBondContact O-CA 3.44Å; N77-A80 WeakPolarHBondContact O-CB 3.22Å; N77-A80 PolarHBondContact O-N 3.3Å; L78-A80 PolarHBondContact O-N 3.34Å; A80-M82 VanDerWaalsContact C-N 3.32Å; A80-M82 PolarHBondContact O-N 3.33Å; A80-K83 WeakPolarHBondContact O-CB 3.37Å; A80-K83 PolarHBondContact O-N 2.92Å
81W98.3Very high96.2Very high25 Ų2574.9 Ų74.910%0.09536%0.36CS..Hα-helixtrans-63-36.8178.4-63-9.2000112.8L73 A74 N77 L78 K83 K299 F302L73-W81 HydrophobicContact CG-CH2 4.36Å; L73-W81 HydrophobicContact CG-CZ2 4.3Å; A74-W81 HydrophobicContact CB-CH2 4.15Å; A74-W81 HydrophobicContact CB-CZ3 3.81Å; N77-W81 HydrophobicContact CB-CD2 3.97Å; N77-W81 VanDerWaalsContact CB-CE2 3.41Å; N77-W81 HydrophobicContact CB-CG 4.25Å; N77-W81 HydrophobicContact CB-CZ2 3.77Å; N77-W81 VanDerWaalsContact CB-NE1 3.33Å; N77-W81 PolarHBondContact O-N 3.19Å; L78-W81 PolarHBondContact O-N 2.97Å; W81-K83 VanDerWaalsContact C-N 3.26Å; W81-K83 PolarHBondContact O-N 3.31Å; W81-K299 HydrophobicContact CB-CD 4.26Å; W81-K299 HydrophobicContact CD2-CD 4.03Å; W81-K299 HydrophobicContact CG-CD 3.73Å; W81-K299 HydrophobicContact CZ2-CB 4.06Å; W81-F302 HydrophobicContact CB-CD1 3.95Å; W81-F302 HydrophobicContact CB-CD2 4.07Å; W81-F302 HydrophobicContact CB-CE1 3.89Å; W81-F302 HydrophobicContact CB-CE2 4Å; W81-F302 HydrophobicContact CB-CG 4.05Å; W81-F302 HydrophobicContact CB-CZ 3.93Å; W81-F302 HydrophobicContact CD2-CB 4.38Å; W81-F302 HydrophobicContact CD2-CG 4.42Å; W81-F302 HydrophobicContact CE3-CB 3.71Å; W81-F302 AromaticContact CE3-CD2 3.94Å; W81-F302 HydrophobicContact CE3-CD2 3.94Å; W81-F302 AromaticContact CE3-CG 3.92Å; W81-F302 HydrophobicContact CE3-CG 3.92Å; W81-F302 HydrophobicContact CZ3-CB 4.1Å; W81-F302 VanDerWaalsContact O-CE1 3.29Å; W81-F302 WeakPolarHBondContact O-CE1 3.25Å; W81-F302 WeakPolarHBondContact O-CZ 3.19Å
82M97.9Very high95.7Very high51 Ų5176.9 Ų76.925%0.25138%0.376SS..THydrogen-bonded Turntrans-71.3-9.1176.7-69.917565.500115A23 L78 A80 F302A23-M82 HydrophobicContact CB-CE 3.86Å; A23-M82 HydrophobicContact CB-SD 3.79Å; L78-M82 HydrophobicContact CD1-CG 4.26Å; L78-M82 HydrophobicContact CD1-SD 3.82Å; L78-M82 HydrophobicContact CG-SD 3.85Å; L78-M82 WeakPolarHBondContact O-CB 2.92Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.15Å; L78-M82 PolarHBondContact O-N 3.15Å; A80-M82 VanDerWaalsContact C-N 3.32Å; A80-M82 PolarHBondContact O-N 3.33Å; M82-F302 HydrophobicContact CG-CE2 4.06Å; M82-F302 HydrophobicContact CG-CZ 4.14Å
83K97.5Very high95.2Very high139 Ų13974.7 Ų74.760%0.60436%0.363SS*.SBendtrans-72.3142.8-177.4-76.8172.6-176.6-178.90112.4R79 A80 W81 E85 K102R79-K83 WeakPolarHBondContact O-CG 3.4Å; A80-K83 WeakPolarHBondContact O-CB 3.37Å; A80-K83 PolarHBondContact O-N 2.92Å; W81-K83 VanDerWaalsContact C-N 3.26Å; W81-K83 PolarHBondContact O-N 3.31Å; K83-E85 PolarHBondContact O-N 2.89Å; K83-K102 PolarHBondContact O-NZ 2.99Å; K83-K102 VanDerWaalsContact O-NZ 3.12Å
84D97.9Very high94.8Very high59 Ų5977.7 Ų77.732%0.31638%0.375SS..PPolyproline II helixtrans-56.4129162.8-70.8-25.4000109.4F99 I100 R101D84-F99 HydrophobicContact CB-CB 4.37Å; D84-F99 HydrophobicContact CB-CD2 3.63Å; D84-F99 HydrophobicContact CB-CE2 4.21Å; D84-F99 HydrophobicContact CB-CG 4.22Å; D84-F99 VanDerWaalsContact CG-CD2 3.47Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.43Å; D84-I100 WeakPolarHBondContact CA-O 3.11Å; D84-R101 WeakPolarHBondContact OD1-CA 3.35Å; D84-R101 VanDerWaalsContact OD1-CB 3.22Å; D84-R101 WeakPolarHBondContact OD1-CB 3.36Å; D84-R101 VanDerWaalsContact OD1-CG 3.31Å; D84-R101 WeakPolarHBondContact OD1-CG 3.17Å; D84-R101 IonicContact OD1-CZ 3.21Å; D84-R101 IonicContact OD1-NE 3.7Å; D84-R101 PolarHBondContact OD1-NE 3.15Å; D84-R101 IonicContact OD1-NH2 2.85Å; D84-R101 IonicContact OD2-CZ 3.59Å; D84-R101 IonicContact OD2-NE 3.66Å; D84-R101 PolarHBondContact OD2-NE 2.86Å; D84-R101 IonicContact OD2-NH2 2.71Å; D84-R101 PolarHBondContact OD2-NH2 3.01Å
85E96.9Very high94.3Very high90 Ų9083.4 Ų83.442%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-102.1123.3-176167.2-179.9166.900110.1K83 F99 I100 K102K83-E85 PolarHBondContact O-N 2.89Å; E85-F99 CarbonylContact O-C 3.54Å; E85-F99 WeakPolarHBondContact O-CA 3.38Å; E85-F99 VanDerWaalsContact O-CB 3.22Å; E85-F99 WeakPolarHBondContact O-CB 3.4Å; E85-I100 HydrophobicContact CB-CB 4.45Å; E85-I100 PolarHBondContact N-O 2.74Å; E85-I100 PolarHBondContact O-N 3.4Å; E85-K102 WeakPolarHBondContact OE2-CE 3.48Å; E85-K102 IonicContact OE2-NZ 2.77Å; E85-K102 PolarHBondContact OE2-NZ 2.97Å
86R95.6Very high93.9Very high167 Ų16781 Ų8163%0.6339%0.393SS*.EExtended strand (participates in β ladder)trans-74.7129.6178.9-61.3-51.7-168.9160.4-2.1109.5S97 A98R86-S97 PolarHBondContact NH1-OG 3.46Å; R86-A98 PolarHBondContact NH1-O 3.01Å
87V93.8Very high93.6Very high48 Ų4872.4 Ų72.429%0.29137%0.366SS..PPolyproline II helixtrans-103.9153.1177.2-640000110.7A98 I100V87-A98 HydrophobicContact CG2-CB 3.6Å; V87-I100 HydrophobicContact CG1-CD1 3.62Å; V87-I100 HydrophobicContact CG1-CG1 3.75Å
88P92.1Very high93.5Very high107 Ų10770.8 Ų70.870%0.69536%0.359SS*.PPolyproline II helixtrans-53.6151.3166.4-2535.3000111.9
89K91.4Very high93.5Very high78 Ų7871 Ų7134%0.33936%0.36SS..  trans-127.5149.8-177.2-64.6-178.4-69167.10109.6T93 Q94 D96 A98K89-T93 WeakPolarHBondContact CD-O 3.27Å; K89-Q94 PolarHBondContact NZ-O 2.99Å; K89-D96 VanDerWaalsContact CD-O 3.29Å; K89-D96 WeakPolarHBondContact CD-O 3.24Å; K89-D96 PolarHBondContact NZ-O 3.38Å; K89-A98 HydrophobicContact CD-CB 3.91Å; K89-A98 HydrophobicContact CG-CB 3.79Å
90N89.8Confident93.5Very high40 Ų4064.7 Ų64.721%0.21434%0.338CS..  trans-89172.2168.161.911.8000110.8A92 T93 Q94 M341 E342N90-A92 VanDerWaalsContact C-N 3.25Å; N90-A92 PolarHBondContact O-N 2.95Å; N90-T93 PolarHBondContact N-OG1 2.89Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 3.17Å; N90-T93 PolarHBondContact O-OG1 3.49Å; N90-T93 PolarHBondContact OD1-N 2.9Å; N90-T93 PolarHBondContact OD1-OG1 3.41Å; N90-Q94 PolarHBondContact O-N 3.44Å; N90-M341 PolarHBondContact ND2-O 2.83Å; N90-M341 VanDerWaalsContact ND2-O 3.14Å; N90-E342 WeakPolarHBondContact CB-O 3.37Å
91L87.9Confident93.5Very high81 Ų8166.8 Ų66.842%0.42433%0.334SS..G310 helixtrans-58.2-37.4-179.1-65.4174.9000112.1T93 Q94 A340L91-T93 PolarHBondContact O-N 2.74Å; L91-Q94 VanDerWaalsContact CD2-OE1 3.31Å; L91-Q94 PolarHBondContact O-N 2.86Å; L91-A340 HydrophobicContact CB-CB 4.48Å; L91-A340 PolarHBondContact N-O 3.38Å
92A86.4Confident93.5Very high43 Ų4366.7 Ų66.736%0.35533%0.334SS..G310 helixtrans-61.3-23177.100000114.2N90 A340N90-A92 VanDerWaalsContact C-N 3.25Å; N90-A92 PolarHBondContact O-N 2.95Å; A92-A340 HydrophobicContact CB-CB 4.03Å; A92-A340 VanDerWaalsContact CB-O 3.3Å; A92-A340 WeakPolarHBondContact CB-O 3.45Å; A92-A340 PolarHBondContact N-O 3.5Å
93T89Confident93.4Very high30 Ų3066.7 Ų66.718%0.18433%0.334CS..G310 helixtrans-118.78.5179.855.20000113K89 N90 L91 L95 D96 L312K89-T93 WeakPolarHBondContact CD-O 3.27Å; N90-T93 PolarHBondContact N-OG1 2.89Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 3.17Å; N90-T93 PolarHBondContact O-OG1 3.49Å; N90-T93 PolarHBondContact OD1-N 2.9Å; N90-T93 PolarHBondContact OD1-OG1 3.41Å; L91-T93 PolarHBondContact O-N 2.74Å; T93-L95 PolarHBondContact O-N 2.72Å; T93-L95 VanDerWaalsContact O-N 3.1Å; T93-D96 WeakPolarHBondContact O-CB 3.34Å; T93-D96 PolarHBondContact O-N 3.28Å; T93-L312 HydrophobicContact CG2-CD1 4.18Å; T93-L312 HydrophobicContact CG2-CD2 4.04Å
94Q87.9Confident93.3Very high116 Ų11661.2 Ų61.254%0.54231%0.313SS..THydrogen-bonded Turntrans-57.8-34.2-170.5-176.7177.3-6.500113.6K89 N90 L91K89-Q94 PolarHBondContact NZ-O 2.99Å; N90-Q94 PolarHBondContact O-N 3.44Å; L91-Q94 VanDerWaalsContact CD2-OE1 3.31Å; L91-Q94 PolarHBondContact O-N 2.86Å
95L88.3Confident93.1Very high120 Ų12064.5 Ų64.563%0.62832%0.324SS*.THydrogen-bonded Turntrans-89.6-6.1178.4-63.6173.2000113.7T93 M318T93-L95 PolarHBondContact O-N 2.72Å; T93-L95 VanDerWaalsContact O-N 3.1Å; L95-M318 HydrophobicContact CB-CE 3.86Å; L95-M318 HydrophobicContact CD1-CE 3.45Å; L95-M318 VanDerWaalsContact CD1-CE 3.45Å; L95-M318 HydrophobicContact CG-CE 4.29Å
96D89.8Confident92.8Very high8 Ų860.3 Ų60.34%0.04331%0.306CS..SBendtrans-89.4161.1178.5-63.2-31.5000111.2K89 T93 L312 R314K89-D96 VanDerWaalsContact CD-O 3.29Å; K89-D96 WeakPolarHBondContact CD-O 3.24Å; K89-D96 PolarHBondContact NZ-O 3.38Å; T93-D96 WeakPolarHBondContact O-CB 3.34Å; T93-D96 PolarHBondContact O-N 3.28Å; D96-L312 HydrophobicContact CB-CD1 3.67Å; D96-L312 HydrophobicContact CB-CG 4.45Å; D96-R314 HydrophobicContact CB-CG 4.47Å; D96-R314 VanDerWaalsContact OD1-CA 3.27Å; D96-R314 WeakPolarHBondContact OD1-CA 3.49Å; D96-R314 WeakPolarHBondContact OD1-CB 3.44Å; D96-R314 IonicContact OD1-NE 2.64Å; D96-R314 WeakPolarHBondContact OD2-CG 3.42Å; D96-R314 IonicContact OD2-CZ 2.07Å; D96-R314 IonicContact OD2-NE 3.32Å; D96-R314 PolarHBondContact OD2-NE 3.03Å; D96-R314 IonicContact OD2-NH2 2.7Å
97S93Very high92.4Very high35 Ų3555 Ų5525%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-98.598.9175.6159.80000110.4R86 L313R86-S97 PolarHBondContact NH1-OG 3.46Å; S97-L313 PolarHBondContact N-O 3.18Å; S97-L313 PolarHBondContact O-N 2.91Å
98A95.8Very high92Very high12 Ų1253.5 Ų53.510%0.09928%0.28CS..EExtended strand (participates in β ladder)trans-94.7137.4173.600000111.7R86 V87 K89 C311 L312R86-A98 PolarHBondContact NH1-O 3.01Å; V87-A98 HydrophobicContact CG2-CB 3.6Å; K89-A98 HydrophobicContact CD-CB 3.91Å; K89-A98 HydrophobicContact CG-CB 3.79Å; A98-C311 CarbonylContact C-O 3.47Å; A98-C311 WeakPolarHBondContact CA-O 3.48Å; A98-L312 HydrophobicContact CB-CD1 3.99Å
99F97.4Very high91.7Very high12 Ų1253.3 Ų53.35%0.05327%0.273CS..EExtended strand (participates in β ladder)trans-163.6164.7174.558.7-85.7000113.2D84 E85 R101 C311 L313D84-F99 HydrophobicContact CB-CB 4.37Å; D84-F99 HydrophobicContact CB-CD2 3.63Å; D84-F99 HydrophobicContact CB-CE2 4.21Å; D84-F99 HydrophobicContact CB-CG 4.22Å; D84-F99 VanDerWaalsContact CG-CD2 3.47Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.43Å; E85-F99 CarbonylContact O-C 3.54Å; E85-F99 WeakPolarHBondContact O-CA 3.38Å; E85-F99 VanDerWaalsContact O-CB 3.22Å; E85-F99 WeakPolarHBondContact O-CB 3.4Å; F99-R101 HydrophobicContact CD2-CB 4.48Å; F99-R101 HydrophobicContact CE2-CB 4.33Å; F99-C311 HydrophobicContact CD1-CB 4.14Å; F99-C311 HydrophobicContact CD2-CB 3.76Å; F99-C311 HydrophobicContact CE1-CB 3.85Å; F99-C311 HydrophobicContact CE2-CB 3.44Å; F99-C311 VanDerWaalsContact CE2-CB 3.44Å; F99-C311 HydrophobicContact CG-CB 4.11Å; F99-C311 HydrophobicContact CZ-CB 3.49Å; F99-C311 VanDerWaalsContact CZ-CB 3.49Å; F99-C311 PolarHBondContact N-O 3.4Å; F99-C311 PolarHBondContact O-N 2.93Å; F99-L313 HydrophobicContact CE1-CD1 3.76Å; F99-L313 HydrophobicContact CE1-CG 3.9Å; F99-L313 HydrophobicContact CZ-CD1 4.09Å; F99-L313 HydrophobicContact CZ-CG 4.37Å
100I98.3Very high91.3Very high41 Ų4150 Ų5021%0.2126%0.259CS..EExtended strand (participates in β ladder)trans-108.3117.9171.4-62.3168.5000109.2D84 E85 V87 K102 H308D84-I100 WeakPolarHBondContact CA-O 3.11Å; E85-I100 HydrophobicContact CB-CB 4.45Å; E85-I100 PolarHBondContact N-O 2.74Å; E85-I100 PolarHBondContact O-N 3.4Å; V87-I100 HydrophobicContact CG1-CD1 3.62Å; V87-I100 HydrophobicContact CG1-CG1 3.75Å; I100-K102 PolarHBondContact O-NZ 3.06Å; I100-H308 HydrophobicContact CG2-CB 3.62Å
101R98Very high91Very high101 Ų10153.4 Ų53.438%0.38128%0.276SS..EExtended strand (participates in β ladder)trans-92.6143.5172.1-178.7161-69.71740.7110.6D84 F99 E103 H308 R309D84-R101 WeakPolarHBondContact OD1-CA 3.35Å; D84-R101 VanDerWaalsContact OD1-CB 3.22Å; D84-R101 WeakPolarHBondContact OD1-CB 3.36Å; D84-R101 VanDerWaalsContact OD1-CG 3.31Å; D84-R101 WeakPolarHBondContact OD1-CG 3.17Å; D84-R101 IonicContact OD1-CZ 3.21Å; D84-R101 IonicContact OD1-NE 3.7Å; D84-R101 PolarHBondContact OD1-NE 3.15Å; D84-R101 IonicContact OD1-NH2 2.85Å; D84-R101 IonicContact OD2-CZ 3.59Å; D84-R101 IonicContact OD2-NE 3.66Å; D84-R101 PolarHBondContact OD2-NE 2.86Å; D84-R101 IonicContact OD2-NH2 2.71Å; D84-R101 PolarHBondContact OD2-NH2 3.01Å; F99-R101 HydrophobicContact CD2-CB 4.48Å; F99-R101 HydrophobicContact CE2-CB 4.33Å; R101-E103 HydrophobicContact CG-CG 4.03Å; R101-H308 CarbonylContact O-C 3.59Å; R101-R309 HydrophobicContact CB-CB 4.46Å; R101-R309 PolarHBondContact N-O 2.7Å; R101-R309 PolarHBondContact O-N 3.1Å
102K98.1Very high90.9Very high22 Ų2249.8 Ų49.810%0.09626%0.257CS..EExtended strand (participates in β ladder)trans-104.6116.6176.6-65.589.1176.1170.60109.5K83 E85 I100 F302 H307K83-K102 PolarHBondContact O-NZ 2.99Å; K83-K102 VanDerWaalsContact O-NZ 3.12Å; E85-K102 WeakPolarHBondContact OE2-CE 3.48Å; E85-K102 IonicContact OE2-NZ 2.77Å; E85-K102 PolarHBondContact OE2-NZ 2.97Å; I100-K102 PolarHBondContact O-NZ 3.06Å; K102-F302 HydrophobicContact CB-CE1 4.02Å; K102-F302 HydrophobicContact CB-CZ 4.19Å; K102-F302 HydrophobicContact CG-CE1 4Å; K102-H307 WeakPolarHBondContact CA-O 3.36Å
103E96.1Very high90.9Very high52 Ų5250.4 Ų50.424%0.24326%0.258CS..EExtended strand (participates in β ladder)trans-117.5136.1-178.6-59.9-179.7159.700109.2R101 S306 H307 R309R101-E103 HydrophobicContact CG-CG 4.03Å; E103-S306 CarbonylContact O-C 3.41Å; E103-H307 PolarHBondContact N-O 2.7Å; E103-H307 PolarHBondContact O-N 2.9Å; E103-H307 IonicContact OE2-ND1 3.77Å; E103-R309 VanDerWaalsContact CD-CD 3.43Å; E103-R309 WeakPolarHBondContact OE1-CD 3.4Å; E103-R309 IonicContact OE1-CZ 2.76Å; E103-R309 IonicContact OE1-NE 3.45Å; E103-R309 IonicContact OE1-NH1 2.78Å; E103-R309 PolarHBondContact OE1-NH1 3.07Å; E103-R309 VanDerWaalsContact OE2-CD 3.25Å; E103-R309 WeakPolarHBondContact OE2-CD 3.29Å; E103-R309 IonicContact OE2-NH1 3.22Å
104P95.9Very high90.7Very high24 Ų2452 Ų5216%0.15626%0.26CS..EExtended strand (participates in β ladder)trans-62.6144.7173.923-31.4000111.4F15 A131 G132 N133F15-P104 HydrophobicContact CE2-CB 3.89Å; F15-P104 HydrophobicContact CE2-CG 3.68Å; F15-P104 HydrophobicContact CZ-CB 4.23Å; F15-P104 HydrophobicContact CZ-CG 3.94Å; P104-A131 WeakPolarHBondContact CB-O 3.48Å; P104-G132 WeakPolarHBondContact CB-O 3.47Å; P104-N133 WeakPolarHBondContact CB-OD1 3.25Å
105F94.6Very high90.5Very high127 Ų12748.1 Ų48.156%0.55724%0.244SC*.  trans-67.9-33.2173.8-74.4-67.9000113N133 F305 S306 H307F105-N133 PolarHBondContact N-OD1 3.38Å; F105-F305 WeakPolarHBondContact CD2-O 3.38Å; F105-S306 VanDerWaalsContact CE2-C 3.47Å; F105-H307 HydrophobicContact CD1-CB 4.24Å; F105-H307 HydrophobicContact CE1-CB 3.83Å; F105-H307 HydrophobicContact CZ-CB 4.17Å
106G89.3Confident90.7Very high3 Ų345.1 Ų45.13%0.03122%0.224CC..SBendtrans127.5-94.5-179.900000112.5F15 N133 C134F15-G106 VanDerWaalsContact CE1-CA 3.49Å; F15-G106 VanDerWaalsContact CZ-CA 3.43Å; G106-N133 PolarHBondContact N-OD1 3.48Å; G106-N133 CarbonylContact O-C 3.53Å; G106-N133 WeakPolarHBondContact O-CA 3.26Å; G106-N133 WeakPolarHBondContact O-CB 3.5Å; G106-C134 PolarHBondContact O-N 2.87Å
107L87.3Confident90.7Very high56 Ų5644.8 Ų44.829%0.29322%0.223SC..EExtended strand (participates in β ladder)trans-103.5128.9176.8-88.166.1000109.9L8 L11 R12 F15 C134L8-L107 HydrophobicContact CD2-CD2 4.32Å; L11-L107 HydrophobicContact CB-CD1 4.39Å; L11-L107 HydrophobicContact CB-CD2 3.94Å; L11-L107 HydrophobicContact CB-CG 4.17Å; R12-L107 HydrophobicContact CB-CD1 4.43Å; R12-L107 HydrophobicContact CG-CD1 3.79Å; R12-L107 HydrophobicContact CG-CD2 3.63Å; R12-L107 HydrophobicContact CG-CG 4.38Å; F15-L107 HydrophobicContact CB-CD1 4.29Å; L107-C134 WeakPolarHBondContact CA-O 3.21Å; L107-C134 HydrophobicContact CD1-CB 4.09Å; L107-C134 HydrophobicContact CG-CB 4.22Å
108V86.6Confident90.7Very high16 Ų1643.1 Ų43.110%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-114.7139.5176.5171.90000109I110 A128 N133 C134 V135 V136 F305V108-I110 HydrophobicContact CG1-CG1 4.06Å; V108-A128 HydrophobicContact CB-CB 4.46Å; V108-A128 HydrophobicContact CG1-CB 4.22Å; V108-N133 HydrophobicContact CB-CB 4.43Å; V108-N133 HydrophobicContact CG2-CB 3.71Å; V108-C134 PolarHBondContact N-O 2.8Å; V108-V135 CarbonylContact O-C 3.49Å; V108-V135 WeakPolarHBondContact O-CA 3.37Å; V108-V136 PolarHBondContact O-N 3.5Å; V108-F305 HydrophobicContact CB-CD1 4.47Å; V108-F305 HydrophobicContact CG1-CD1 3.74Å; V108-F305 HydrophobicContact CG1-CE1 3.48Å; V108-F305 VanDerWaalsContact CG1-CE1 3.48Å; V108-F305 HydrophobicContact CG1-CZ 4.26Å; V108-F305 HydrophobicContact CG2-CD1 3.83Å; V108-F305 HydrophobicContact CG2-CE1 4.42Å
109L84.6Confident90.5Very high103 Ų10342.7 Ų42.754%0.53921%0.207SC..EExtended strand (participates in β ladder)trans-107.5129168.2174.162.4000108.5I111 V136L109-I111 HydrophobicContact CD1-CG1 4.33Å; L109-I111 HydrophobicContact CD2-CD1 4.05Å; L109-I111 HydrophobicContact CD2-CG1 4.08Å; L109-I111 HydrophobicContact CG-CD1 4.47Å; L109-I111 HydrophobicContact CG-CG1 3.96Å; L109-V136 WeakPolarHBondContact CA-O 3.47Å; L109-V136 HydrophobicContact CD1-CB 4.02Å; L109-V136 HydrophobicContact CD1-CG1 3.87Å
110I84.3Confident90.4Very high9 Ų943.5 Ų43.55%0.04621%0.211CC..EExtended strand (participates in β ladder)trans-112.9116.3172.2-60177.9000107.6V108 P124 L125 V135 V136 L137 K138V108-I110 HydrophobicContact CG1-CG1 4.06Å; I110-P124 HydrophobicContact CD1-CB 3.99Å; I110-P124 HydrophobicContact CD1-CG 4.25Å; I110-P124 HydrophobicContact CG2-CB 4.43Å; I110-P124 HydrophobicContact CG2-CG 3.86Å; I110-L125 VanDerWaalsContact CD1-CA 3.49Å; I110-L125 HydrophobicContact CD1-CB 3.93Å; I110-L125 VanDerWaalsContact CD1-N 3.35Å; I110-V135 HydrophobicContact CD1-CG1 3.7Å; I110-V135 HydrophobicContact CG1-CG1 3.95Å; I110-V136 PolarHBondContact N-O 3.5Å; I110-L137 HydrophobicContact CB-CD2 3.9Å; I110-L137 HydrophobicContact CD1-CD2 4.03Å; I110-L137 HydrophobicContact CG1-CD2 4.39Å; I110-L137 HydrophobicContact CG2-CD2 4.37Å; I110-K138 PolarHBondContact O-N 3.22Å
111I82.3Confident90Very high111 Ų11141.6 Ų41.657%0.56920%0.202SC*.EExtended strand (participates in β ladder)trans-105.3111.8171-52.4179.1000106.6L109 K138L109-I111 HydrophobicContact CD1-CG1 4.33Å; L109-I111 HydrophobicContact CD2-CD1 4.05Å; L109-I111 HydrophobicContact CD2-CG1 4.08Å; L109-I111 HydrophobicContact CG-CD1 4.47Å; L109-I111 HydrophobicContact CG-CG1 3.96Å; I111-K138 WeakPolarHBondContact CA-O 3.42Å; I111-K138 HydrophobicContact CG1-CB 4.34Å; I111-K138 HydrophobicContact CG1-CD 4.47Å; I111-K138 HydrophobicContact CG2-CD 4.06Å
112A85.9Confident89.9Confident4 Ų437 Ų373%0.03319%0.185CC..  trans-99.1145.6-18000000110.8T121 K138 S140A112-T121 WeakPolarHBondContact CB-OG1 3.31Å; A112-K138 PolarHBondContact N-O 3.34Å; A112-S140 VanDerWaalsContact O-CB 3.27Å; A112-S140 WeakPolarHBondContact O-CB 3.34Å; A112-S140 PolarHBondContact O-N 3.4Å
113P87Confident89.8Confident57 Ų5735.9 Ų35.937%0.3718%0.18SC..  trans-83.5-171.7168.138.6-37.1000110.8L120 S140P113-L120 HydrophobicContact CG-CB 4.33Å; P113-L120 HydrophobicContact CG-CD1 3.52Å; P113-S140 WeakPolarHBondContact O-CB 3.47Å
114W84.6Confident89.8Confident63 Ų6334.1 Ų34.124%0.23917%0.173CC..SBendtrans-105.7-17.9-160.956.2-94.7000116.5L52 P117 I142 S143 I169 F219L52-W114 HydrophobicContact CD2-CE3 3.92Å; L52-W114 HydrophobicContact CD2-CZ3 4.24Å; W114-P117 VanDerWaalsContact O-CD 3.32Å; W114-P117 WeakPolarHBondContact O-CD 3.42Å; W114-I142 HydrophobicContact CB-CB 3.63Å; W114-I142 HydrophobicContact CB-CD1 4.09Å; W114-I142 HydrophobicContact CB-CG1 4.29Å; W114-I142 HydrophobicContact CB-CG2 3.27Å; W114-I142 HydrophobicContact CD2-CG2 4.33Å; W114-I142 HydrophobicContact CG-CB 4.35Å; W114-I142 HydrophobicContact CG-CD1 3.99Å; W114-I142 HydrophobicContact CG-CG2 3.76Å; W114-S143 PolarHBondContact O-OG 3.48Å; W114-I169 HydrophobicContact CD2-CD1 3.53Å; W114-I169 HydrophobicContact CD2-CG1 4.25Å; W114-I169 HydrophobicContact CE3-CD1 3.51Å; W114-I169 HydrophobicContact CG-CD1 4.14Å; W114-I169 HydrophobicContact CH2-CD1 3.85Å; W114-I169 HydrophobicContact CZ2-CD1 3.85Å; W114-I169 HydrophobicContact CZ2-CG1 4.43Å; W114-I169 HydrophobicContact CZ3-CD1 3.7Å; W114-F219 AromaticContact CE2-CE1 3.75Å; W114-F219 AromaticContact CH2-CD1 3.75Å; W114-F219 HydrophobicContact CH2-CD1 3.75Å; W114-F219 AromaticContact CH2-CE1 3.66Å; W114-F219 HydrophobicContact CH2-CE1 3.66Å; W114-F219 AromaticContact CZ2-CD1 3.45Å; W114-F219 HydrophobicContact CZ2-CD1 3.45Å; W114-F219 VanDerWaalsContact CZ2-CD1 3.45Å; W114-F219 AromaticContact CZ2-CE1 3.3Å; W114-F219 HydrophobicContact CZ2-CE1 3.3Å; W114-F219 HydrophobicContact CZ3-CE1 4.39Å
115N83.1Confident89.7Confident35 Ų3533.5 Ų33.519%0.18717%0.168CC..SBendtrans-77.5-27.9-170.357-39.4000113.5K54 F219K54-N115 PolarHBondContact NZ-O 2.95Å; N115-F219 HydrophobicContact CB-CE1 3.91Å; N115-F219 HydrophobicContact CB-CZ 3.94Å; N115-F219 WeakPolarHBondContact ND2-CZ 3.38Å
116Y91.9Very high89.9Confident57 Ų5727.5 Ų27.522%0.22414%0.142CC..SBendtrans-138.170.3167.6-58.6-92000108.6E63 L118 N119 L120E63-Y116 HydrophobicContact CG-CD1 3.89Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.32Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.25Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.41Å; Y116-N119 PolarHBondContact O-N 3.39Å; Y116-L120 HydrophobicContact CD2-CD1 4.41Å; Y116-L120 WeakPolarHBondContact O-CB 3.29Å; Y116-L120 WeakPolarHBondContact O-CG 3.32Å; Y116-L120 PolarHBondContact O-N 3.23Å
117P90.3Very high90.2Very high1 Ų127.4 Ų27.41%0.00614%0.141CC..THydrogen-bonded Turntrans-70.6-23.8-162.230.3-36.1000113.1L48 L52 E63 W114 T121 V146L48-P117 HydrophobicContact CD2-CG 3.76Å; L52-P117 HydrophobicContact CD1-CG 4.17Å; E63-P117 WeakPolarHBondContact OE1-CD 3.41Å; E63-P117 VanDerWaalsContact OE2-CD 3.25Å; E63-P117 WeakPolarHBondContact OE2-CD 3.35Å; E63-P117 VanDerWaalsContact OE2-N 3.11Å; W114-P117 VanDerWaalsContact O-CD 3.32Å; W114-P117 WeakPolarHBondContact O-CD 3.42Å; P117-T121 WeakPolarHBondContact O-CB 3.15Å; P117-T121 PolarHBondContact O-OG1 3.04Å; P117-V146 HydrophobicContact CB-CB 4.32Å; P117-V146 HydrophobicContact CB-CG1 3.85Å; P117-V146 HydrophobicContact CG-CB 4.1Å; P117-V146 HydrophobicContact CG-CG1 3.92Å; P117-V146 HydrophobicContact CG-CG2 4.03Å
118L92.5Very high90.5Very high0 Ų024.7 Ų24.70%013%0.127CC..THydrogen-bonded Turntrans-79.7-54.4169-67.1176.3000110.2L44 L48 E63 V64 Y116 L120 T121 L122 V146 L150L44-L118 HydrophobicContact CB-CD1 3.93Å; L44-L118 HydrophobicContact CD1-CD1 4.41Å; L44-L118 HydrophobicContact CD2-CD1 3.75Å; L44-L118 HydrophobicContact CD2-CD2 3.78Å; L44-L118 HydrophobicContact CD2-CG 4.43Å; L44-L118 HydrophobicContact CG-CD1 4.24Å; L48-L118 HydrophobicContact CD1-CD1 3.87Å; L48-L118 HydrophobicContact CG-CD1 4.34Å; E63-L118 HydrophobicContact CB-CB 4.22Å; E63-L118 WeakPolarHBondContact OE2-CA 3.48Å; E63-L118 WeakPolarHBondContact OE2-CB 3.47Å; E63-L118 PolarHBondContact OE2-N 2.88Å; V64-L118 HydrophobicContact CG2-CD1 4.4Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.41Å; L118-L120 PolarHBondContact O-N 2.85Å; L118-T121 PolarHBondContact O-N 3.02Å; L118-T121 VanDerWaalsContact O-N 3.15Å; L118-L122 HydrophobicContact CB-CD1 4.29Å; L118-L122 HydrophobicContact CD2-CD1 4.33Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 3.24Å; L118-V146 HydrophobicContact CD2-CG1 3.52Å; L118-V146 HydrophobicContact CG-CG1 3.82Å; L118-L150 HydrophobicContact CD2-CD1 4.37Å; L118-L150 HydrophobicContact CD2-CD2 4.05Å; L118-L150 HydrophobicContact CD2-CG 4.24Å
119N93.4Very high90.9Very high2 Ų225 Ų251%0.01113%0.128CC..Hα-helixtrans-54.6-51.4-175.6-172.934.8000112.1E63 I66 Y116 T121 L122 V123E63-N119 HydrophobicContact CB-CB 4.3Å; E63-N119 HydrophobicContact CG-CB 4.13Å; E63-N119 PolarHBondContact OE2-N 3.22Å; I66-N119 WeakPolarHBondContact CG2-OD1 3.21Å; Y116-N119 PolarHBondContact O-N 3.39Å; N119-T121 VanDerWaalsContact C-N 3.25Å; N119-T121 PolarHBondContact O-N 3.08Å; N119-L122 PolarHBondContact O-N 2.75Å; N119-V123 WeakPolarHBondContact O-CB 3.46Å; N119-V123 WeakPolarHBondContact O-CG2 3.42Å; N119-V123 PolarHBondContact O-N 3.24Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.41Å
120L93.6Very high91.4Very high29 Ų2920.1 Ų20.115%0.15210%0.102CC..Hα-helixtrans-77-10.7-174.6-59.3171.1000113.1P113 Y116 L118 P124 Y296P113-L120 HydrophobicContact CG-CB 4.33Å; P113-L120 HydrophobicContact CG-CD1 3.52Å; Y116-L120 HydrophobicContact CD2-CD1 4.41Å; Y116-L120 WeakPolarHBondContact O-CB 3.29Å; Y116-L120 WeakPolarHBondContact O-CG 3.32Å; Y116-L120 PolarHBondContact O-N 3.23Å; L118-L120 PolarHBondContact O-N 2.85Å; L120-P124 VanDerWaalsContact O-CG 3.26Å; L120-P124 WeakPolarHBondContact O-CG 3.41Å; L120-Y296 WeakPolarHBondContact CD2-OH 3.32Å
121T91.5Very high92Very high1 Ų119.8 Ų19.81%0.00610%0.1CC..Hα-helixtrans-89.6-47.6166.6-55.30000111.4A112 P117 L118 N119 L125 L137 L150A112-T121 WeakPolarHBondContact CB-OG1 3.31Å; P117-T121 WeakPolarHBondContact O-CB 3.15Å; P117-T121 PolarHBondContact O-OG1 3.04Å; L118-T121 PolarHBondContact O-N 3.02Å; L118-T121 VanDerWaalsContact O-N 3.15Å; N119-T121 VanDerWaalsContact C-N 3.25Å; N119-T121 PolarHBondContact O-N 3.08Å; T121-L125 VanDerWaalsContact O-CB 3.29Å; T121-L125 WeakPolarHBondContact O-CB 3.4Å; T121-L125 PolarHBondContact O-N 3.08Å; T121-L137 HydrophobicContact CG2-CD1 4.01Å; T121-L137 HydrophobicContact CG2-CD2 3.91Å; T121-L137 HydrophobicContact CG2-CG 4.42Å; T121-L150 HydrophobicContact CG2-CD1 4.16Å
122L95Very high92.6Very high4 Ų414.5 Ų14.52%0.0217%0.074CC..Hα-helixtrans-83.5-36.9-165.3-63.8179.1000113.5F36 L37 L118 N119 L125 V126 L150F36-L122 HydrophobicContact CE1-CD1 4.21Å; L37-L122 HydrophobicContact CD2-CD1 3.72Å; L37-L122 HydrophobicContact CG-CD1 4.4Å; L118-L122 HydrophobicContact CB-CD1 4.29Å; L118-L122 HydrophobicContact CD2-CD1 4.33Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 3.24Å; N119-L122 PolarHBondContact O-N 2.75Å; L122-L125 HydrophobicContact CD2-CD2 3.91Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 2.8Å; L122-L150 HydrophobicContact CD2-CD2 4.01Å
123V96.4Very high92.9Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-62.8-46.9177.8177.30000112.9I66 E70 N119 L125 V126 G127 Y296I66-V123 HydrophobicContact CG2-CG2 4.4Å; E70-V123 HydrophobicContact CB-CG2 4.33Å; E70-V123 HydrophobicContact CG-CB 4.46Å; E70-V123 HydrophobicContact CG-CG1 3.81Å; E70-V123 HydrophobicContact CG-CG2 3.97Å; N119-V123 WeakPolarHBondContact O-CB 3.46Å; N119-V123 WeakPolarHBondContact O-CG2 3.42Å; N119-V123 PolarHBondContact O-N 3.24Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.41Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 3.32Å; V123-V126 PolarHBondContact O-N 2.93Å; V123-G127 PolarHBondContact O-N 3.45Å; V123-Y296 HydrophobicContact CB-CE2 4.2Å; V123-Y296 HydrophobicContact CG1-CD2 3.87Å; V123-Y296 HydrophobicContact CG1-CE2 3.75Å
124P95.6Very high92.9Very high15 Ų1512.2 Ų12.210%0.0976%0.058CC..Hα-helixtrans-67.2-32.617224.7-32.1000112.6I110 L120 V126 G127 A128 F305I110-P124 HydrophobicContact CD1-CB 3.99Å; I110-P124 HydrophobicContact CD1-CG 4.25Å; I110-P124 HydrophobicContact CG2-CB 4.43Å; I110-P124 HydrophobicContact CG2-CG 3.86Å; L120-P124 VanDerWaalsContact O-CG 3.26Å; L120-P124 WeakPolarHBondContact O-CG 3.41Å; P124-V126 PolarHBondContact O-N 3.06Å; P124-G127 PolarHBondContact O-N 3.22Å; P124-A128 PolarHBondContact O-N 2.99Å; P124-F305 HydrophobicContact CB-CE2 4.1Å; P124-F305 HydrophobicContact CB-CZ 4.13Å; P124-F305 WeakPolarHBondContact O-CE2 3.45Å
125L94.6Very high92.8Very high10 Ų1010.2 Ų10.25%0.0525%0.053CC..Hα-helixtrans-61.8-43.6175.7174.464.9000111.9L33 I110 T121 L122 V123 G127 A128 L129 V135 L137 L154L33-L125 HydrophobicContact CD1-CD2 4.07Å; L33-L125 HydrophobicContact CD1-CG 4.13Å; L33-L125 HydrophobicContact CD2-CD2 3.94Å; I110-L125 VanDerWaalsContact CD1-CA 3.49Å; I110-L125 HydrophobicContact CD1-CB 3.93Å; I110-L125 VanDerWaalsContact CD1-N 3.35Å; T121-L125 VanDerWaalsContact O-CB 3.29Å; T121-L125 WeakPolarHBondContact O-CB 3.4Å; T121-L125 PolarHBondContact O-N 3.08Å; L122-L125 HydrophobicContact CD2-CD2 3.91Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.27Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 3.32Å; L125-G127 VanDerWaalsContact C-N 3.3Å; L125-G127 PolarHBondContact O-N 3.21Å; L125-A128 PolarHBondContact O-N 2.76Å; L125-L129 HydrophobicContact CD1-CD1 3.85Å; L125-L129 HydrophobicContact CD1-CD2 4.41Å; L125-L129 HydrophobicContact CD1-CG 3.87Å; L125-L129 HydrophobicContact CG-CD1 3.9Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.84Å; L125-V135 HydrophobicContact CD1-CB 3.89Å; L125-V135 HydrophobicContact CD1-CG1 3.79Å; L125-V135 HydrophobicContact CD1-CG2 3.97Å; L125-L137 HydrophobicContact CB-CD2 4.45Å; L125-L137 HydrophobicContact CD1-CD2 4.17Å; L125-L137 HydrophobicContact CD2-CD1 4.08Å; L125-L137 HydrophobicContact CD2-CD2 4.46Å; L125-L154 HydrophobicContact CD2-CD2 4.39Å
126V97.6Very high92.7Very high2 Ų29.6 Ų9.61%0.0125%0.05CC..Hα-helixtrans-54-47.3173.81640000110.8L30 L33 E70 V71 A74 L122 V123 P124 A130L30-V126 HydrophobicContact CD2-CB 4.29Å; L30-V126 HydrophobicContact CD2-CG1 3.94Å; L30-V126 HydrophobicContact CD2-CG2 4.29Å; L33-V126 HydrophobicContact CD1-CG2 3.76Å; E70-V126 HydrophobicContact CB-CG1 4.42Å; V71-V126 HydrophobicContact CB-CG2 4.49Å; V71-V126 HydrophobicContact CG2-CG2 3.52Å; A74-V126 HydrophobicContact CB-CG1 3.57Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 2.8Å; V123-V126 PolarHBondContact O-N 2.93Å; P124-V126 PolarHBondContact O-N 3.06Å; V126-A130 WeakPolarHBondContact O-CB 3.11Å; V126-A130 PolarHBondContact O-N 3.05Å
127G96.4Very high92.2Very high0 Ų08.1 Ų8.10%05%0.046CC..Hα-helixtrans-61.6-46.9176.100000113.5V123 P124 L125 L129 A130 A131V123-G127 PolarHBondContact O-N 3.45Å; P124-G127 PolarHBondContact O-N 3.22Å; L125-G127 VanDerWaalsContact C-N 3.3Å; L125-G127 PolarHBondContact O-N 3.21Å; G127-L129 PolarHBondContact O-N 3.24Å; G127-A130 PolarHBondContact O-N 3.42Å; G127-A131 VanDerWaalsContact O-CB 3.32Å; G127-A131 WeakPolarHBondContact O-CB 3.49Å; G127-A131 PolarHBondContact O-N 3.45Å
128A94.2Very high91.8Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-64.7-41-177.400000112.3V108 P124 L125 G132 N133 V135 F305V108-A128 HydrophobicContact CB-CB 4.46Å; V108-A128 HydrophobicContact CG1-CB 4.22Å; P124-A128 PolarHBondContact O-N 2.99Å; L125-A128 PolarHBondContact O-N 2.76Å; A128-G132 PolarHBondContact O-N 3.48Å; A128-G132 VanDerWaalsContact O-N 3.17Å; A128-N133 WeakPolarHBondContact O-CB 3.5Å; A128-N133 PolarHBondContact O-N 3.21Å; A128-N133 PolarHBondContact O-ND2 3.08Å; A128-N133 VanDerWaalsContact O-ND2 3.11Å; A128-V135 HydrophobicContact CB-CG2 3.61Å; A128-F305 HydrophobicContact CB-CB 4.36Å; A128-F305 HydrophobicContact CB-CD1 4.34Å; A128-F305 HydrophobicContact CB-CD2 3.78Å; A128-F305 HydrophobicContact CB-CE2 4.12Å; A128-F305 HydrophobicContact CB-CG 3.9Å; A128-F305 VanDerWaalsContact N-CD2 3.33Å
129L93.1Very high91.1Very high23 Ų2311.1 Ų11.112%0.126%0.06CC..Hα-helixtrans-68.5-43.1174-67.3174.5000112R26 Q29 L30 L33 L125 G127 A131 G132 V135R26-L129 WeakPolarHBondContact CG-O 3.4Å; Q29-L129 HydrophobicContact CB-CD1 4.22Å; Q29-L129 HydrophobicContact CB-CD2 4.47Å; L30-L129 HydrophobicContact CD2-CB 4.39Å; L33-L129 HydrophobicContact CD1-CD1 3.72Å; L33-L129 HydrophobicContact CG-CD1 4.21Å; L125-L129 HydrophobicContact CD1-CD1 3.85Å; L125-L129 HydrophobicContact CD1-CD2 4.41Å; L125-L129 HydrophobicContact CD1-CG 3.87Å; L125-L129 HydrophobicContact CG-CD1 3.9Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.84Å; G127-L129 PolarHBondContact O-N 3.24Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 2.85Å; L129-G132 WeakPolarHBondContact O-CA 3.45Å; L129-G132 PolarHBondContact O-N 3.29Å; L129-V135 HydrophobicContact CD2-CG2 4.29Å
130A96.8Very high90.3Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-61.3-38.5175.700000111.9R26 L30 L78 V126 G127 G132 F302R26-A130 WeakPolarHBondContact CD-O 3.29Å; R26-A130 PolarHBondContact NH1-O 3.19Å; L30-A130 HydrophobicContact CD1-CB 4.23Å; L78-A130 HydrophobicContact CD1-CB 3.98Å; L78-A130 WeakPolarHBondContact CD1-O 3.18Å; V126-A130 WeakPolarHBondContact O-CB 3.11Å; V126-A130 PolarHBondContact O-N 3.05Å; G127-A130 PolarHBondContact O-N 3.42Å; A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.93Å; A130-F302 HydrophobicContact CB-CD2 3.97Å; A130-F302 VanDerWaalsContact O-CE2 3.31Å; A130-F302 WeakPolarHBondContact O-CE2 3.49Å
131A97Very high89.2Confident1 Ų111.7 Ų11.71%0.0086%0.062CC..Hα-helixtrans-69.4-20.2173.600000113.4R26 P104 G127 L129 N133 F302 F305 S306R26-A131 PolarHBondContact NH1-O 3.05Å; P104-A131 WeakPolarHBondContact CB-O 3.48Å; G127-A131 VanDerWaalsContact O-CB 3.32Å; G127-A131 WeakPolarHBondContact O-CB 3.49Å; G127-A131 PolarHBondContact O-N 3.45Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 2.85Å; A131-N133 WeakPolarHBondContact CB-ND2 3.35Å; A131-F302 HydrophobicContact CB-CD2 4.23Å; A131-F302 HydrophobicContact CB-CE2 4.47Å; A131-F305 HydrophobicContact CB-CB 3.83Å; A131-F305 WeakPolarHBondContact CB-O 3.35Å; A131-S306 WeakPolarHBondContact CB-OG 3.07Å
132G95Very high88.6Confident1 Ų113.1 Ų13.11%0.017%0.069CC..THydrogen-bonded Turntrans95.728.1174.200000114.4T20 P104 A128 L129 A130T20-G132 WeakPolarHBondContact CB-O 3.48Å; T20-G132 PolarHBondContact OG1-O 3.11Å; P104-G132 WeakPolarHBondContact CB-O 3.47Å; A128-G132 PolarHBondContact O-N 3.48Å; A128-G132 VanDerWaalsContact O-N 3.17Å; L129-G132 WeakPolarHBondContact O-CA 3.45Å; L129-G132 PolarHBondContact O-N 3.29Å; A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.93Å
133N92.2Very high88Confident2 Ų213 Ų131%0.0117%0.068CC..  trans-90.5155.4178.5-59.3-81.4000111.6P104 F105 G106 V108 A128 A131 F305P104-N133 WeakPolarHBondContact CB-OD1 3.25Å; F105-N133 PolarHBondContact N-OD1 3.38Å; G106-N133 PolarHBondContact N-OD1 3.48Å; G106-N133 CarbonylContact O-C 3.53Å; G106-N133 WeakPolarHBondContact O-CA 3.26Å; G106-N133 WeakPolarHBondContact O-CB 3.5Å; V108-N133 HydrophobicContact CB-CB 4.43Å; V108-N133 HydrophobicContact CG2-CB 3.71Å; A128-N133 WeakPolarHBondContact O-CB 3.5Å; A128-N133 PolarHBondContact O-N 3.21Å; A128-N133 PolarHBondContact O-ND2 3.08Å; A128-N133 VanDerWaalsContact O-ND2 3.11Å; A131-N133 WeakPolarHBondContact CB-ND2 3.35Å; N133-F305 PolarHBondContact ND2-O 2.83Å
134C86.4Confident87.3Confident10 Ų1017.8 Ų17.87%0.0689%0.089CC..EExtended strand (participates in β ladder)trans-79.7142.9156.7-72.40000108.7L11 G106 L107 V108L11-C134 HydrophobicContact CB-CB 4.2Å; L11-C134 HydrophobicContact CD2-CB 4.15Å; L11-C134 PolarHBondContact O-SG 2.95Å; G106-C134 PolarHBondContact O-N 2.87Å; L107-C134 WeakPolarHBondContact CA-O 3.21Å; L107-C134 HydrophobicContact CD1-CB 4.09Å; L107-C134 HydrophobicContact CG-CB 4.22Å; V108-C134 PolarHBondContact N-O 2.8Å
135V83.1Confident87Confident22 Ų2219.6 Ų19.613%0.13310%0.098CC..EExtended strand (participates in β ladder)trans-128.4133.9-171.5-170.10000110.8V108 I110 L125 A128 L129 L137V108-V135 CarbonylContact O-C 3.49Å; V108-V135 WeakPolarHBondContact O-CA 3.37Å; I110-V135 HydrophobicContact CD1-CG1 3.7Å; I110-V135 HydrophobicContact CG1-CG1 3.95Å; L125-V135 HydrophobicContact CD1-CB 3.89Å; L125-V135 HydrophobicContact CD1-CG1 3.79Å; L125-V135 HydrophobicContact CD1-CG2 3.97Å; A128-V135 HydrophobicContact CB-CG2 3.61Å; L129-V135 HydrophobicContact CD2-CG2 4.29Å; V135-L137 HydrophobicContact CG1-CD2 3.94Å
136V80.6Confident86.7Confident21 Ų2119.2 Ų19.213%0.12710%0.096CC..EExtended strand (participates in β ladder)trans-103127.4164.4-179.90000107.5L8 L11 V108 L109 I110L8-V136 HydrophobicContact CD2-CG2 3.87Å; L11-V136 HydrophobicContact CD1-CG2 3.49Å; L11-V136 VanDerWaalsContact CD1-CG2 3.49Å; V108-V136 PolarHBondContact O-N 3.5Å; L109-V136 WeakPolarHBondContact CA-O 3.47Å; L109-V136 HydrophobicContact CD1-CB 4.02Å; L109-V136 HydrophobicContact CD1-CG1 3.87Å; I110-V136 PolarHBondContact N-O 3.5Å
137L80.4Confident86Confident26 Ų2619.2 Ų19.214%0.13610%0.096CC..EExtended strand (participates in β ladder)trans-98.5133.2173.2-60.4179.8000109.5I110 T121 L125 V135 P139 L154I110-L137 HydrophobicContact CB-CD2 3.9Å; I110-L137 HydrophobicContact CD1-CD2 4.03Å; I110-L137 HydrophobicContact CG1-CD2 4.39Å; I110-L137 HydrophobicContact CG2-CD2 4.37Å; T121-L137 HydrophobicContact CG2-CD1 4.01Å; T121-L137 HydrophobicContact CG2-CD2 3.91Å; T121-L137 HydrophobicContact CG2-CG 4.42Å; L125-L137 HydrophobicContact CB-CD2 4.45Å; L125-L137 HydrophobicContact CD1-CD2 4.17Å; L125-L137 HydrophobicContact CD2-CD1 4.08Å; L125-L137 HydrophobicContact CD2-CD2 4.46Å; V135-L137 HydrophobicContact CG1-CD2 3.94Å; L137-P139 HydrophobicContact CB-CG 4.41Å; L137-L154 HydrophobicContact CD1-CD2 3.82Å
138K81.6Confident85.3Confident63 Ų6324.2 Ų24.227%0.27412%0.118SC..EExtended strand (participates in β ladder)trans-118.386.4157.5-177.2-167.3143.557.90107.5I110 I111 A112 E141 G166I110-K138 PolarHBondContact O-N 3.22Å; I111-K138 WeakPolarHBondContact CA-O 3.42Å; I111-K138 HydrophobicContact CG1-CB 4.34Å; I111-K138 HydrophobicContact CG1-CD 4.47Å; I111-K138 HydrophobicContact CG2-CD 4.06Å; A112-K138 PolarHBondContact N-O 3.34Å; K138-E141 WeakPolarHBondContact CE-OE2 3.35Å; K138-E141 IonicContact NZ-OE2 3.53Å; K138-E141 PolarHBondContact NZ-OE2 3.32Å; K138-G166 PolarHBondContact NZ-O 3.1Å
139P77.8Confident85Confident2 Ų224.9 Ų24.91%0.01312%0.121CC..  trans-62.6157.5170.9-16.831.1000110.3L137 E141 E147 L150L137-P139 HydrophobicContact CB-CG 4.41Å; P139-E141 PolarHBondContact O-N 3.02Å; P139-E147 HydrophobicContact CB-CG 4.39Å; P139-L150 HydrophobicContact CB-CD1 3.84Å; P139-L150 HydrophobicContact CG-CB 4.21Å; P139-L150 HydrophobicContact CG-CD1 3.86Å
140S77.4Confident84.6Confident6 Ų623.9 Ų23.94%0.04212%0.116CC..  trans-7778.4167.9-145.60000110.1A112 P113 I142 S143A112-S140 VanDerWaalsContact O-CB 3.27Å; A112-S140 WeakPolarHBondContact O-CB 3.34Å; A112-S140 PolarHBondContact O-N 3.4Å; P113-S140 WeakPolarHBondContact O-CB 3.47Å; S140-I142 PolarHBondContact O-N 2.98Å; S140-I142 WeakPolarHBondContact OG-CG1 3.44Å; S140-S143 PolarHBondContact O-N 3.4Å
141E71.4Confident83.7Confident36 Ų3624.8 Ų24.817%0.16812%0.123CC..THydrogen-bonded Turn31.3-33.2110.887.9-174.5-11000122K138 P139 K144 G166 R167 I168K138-E141 WeakPolarHBondContact CE-OE2 3.35Å; K138-E141 IonicContact NZ-OE2 3.53Å; K138-E141 PolarHBondContact NZ-OE2 3.32Å; P139-E141 PolarHBondContact O-N 3.02Å; E141-K144 WeakPolarHBondContact O-CG 3.29Å; E141-G166 VanDerWaalsContact CB-C 3.43Å; E141-G166 WeakPolarHBondContact CB-O 3.46Å; E141-G166 WeakPolarHBondContact CG-O 3.15Å; E141-R167 VanDerWaalsContact CB-CA 3.45Å; E141-R167 HydrophobicContact CB-CB 3.96Å; E141-R167 HydrophobicContact CB-CG 3.84Å; E141-R167 VanDerWaalsContact CG-CA 3.48Å; E141-R167 HydrophobicContact CG-CB 4.33Å; E141-R167 VanDerWaalsContact O-CB 3.25Å; E141-R167 WeakPolarHBondContact O-CB 3.47Å; E141-R167 WeakPolarHBondContact O-CD 3.34Å; E141-R167 WeakPolarHBondContact O-CG 3.36Å; E141-R167 WeakPolarHBondContact OE1-CA 3.42Å; E141-I168 PolarHBondContact OE1-N 3.46Å
142I77.4Confident83Confident32 Ų3230.2 Ų30.216%0.16415%0.149CC..THydrogen-bonded Turntrans-80.6-51.1177.1-71.1-164000108.5W114 S140 K144 I168 I169W114-I142 HydrophobicContact CB-CB 3.63Å; W114-I142 HydrophobicContact CB-CD1 4.09Å; W114-I142 HydrophobicContact CB-CG1 4.29Å; W114-I142 HydrophobicContact CB-CG2 3.27Å; W114-I142 HydrophobicContact CD2-CG2 4.33Å; W114-I142 HydrophobicContact CG-CB 4.35Å; W114-I142 HydrophobicContact CG-CD1 3.99Å; W114-I142 HydrophobicContact CG-CG2 3.76Å; S140-I142 PolarHBondContact O-N 2.98Å; S140-I142 WeakPolarHBondContact OG-CG1 3.44Å; I142-K144 PolarHBondContact O-N 3.04Å; I142-K144 VanDerWaalsContact O-N 3.07Å; I142-I168 VanDerWaalsContact CG1-C 3.49Å; I142-I169 HydrophobicContact CB-CB 4.3Å; I142-I169 HydrophobicContact CB-CG1 4.49Å; I142-I169 HydrophobicContact CD1-CB 4.11Å; I142-I169 HydrophobicContact CD1-CG1 3.9Å; I142-I169 HydrophobicContact CG1-CB 4.29Å; I142-I169 HydrophobicContact CG1-CG1 4.49Å; I142-I169 HydrophobicContact CG2-CB 3.47Å; I142-I169 VanDerWaalsContact CG2-CB 3.47Å; I142-I169 HydrophobicContact CG2-CD1 3.45Å; I142-I169 VanDerWaalsContact CG2-CD1 3.45Å; I142-I169 HydrophobicContact CG2-CG1 3.46Å; I142-I169 VanDerWaalsContact CG2-CG1 3.46Å
143S83Confident82.6Confident0 Ų031.3 Ų31.30%016%0.155CC..SBendtrans-81.573.7170.8-41.30000106.5D51 W114 S140 N145 V146 E147D51-S143 WeakPolarHBondContact OD2-CA 3.4Å; D51-S143 WeakPolarHBondContact OD2-CB 3.17Å; W114-S143 PolarHBondContact O-OG 3.48Å; S140-S143 PolarHBondContact O-N 3.4Å; S143-N145 VanDerWaalsContact C-N 3.31Å; S143-N145 PolarHBondContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 2.99Å; S143-E147 WeakPolarHBondContact O-CB 3.34Å; S143-E147 PolarHBondContact O-N 3.01Å
144K82.1Confident82.1Confident101 Ų10131.5 Ų31.544%0.43916%0.156SC..Hα-helixtrans-65.4-34.2-167.5-68.2171.8-171.9169.30112.4D51 E141 I142 K148D51-K144 PolarHBondContact OD1-N 2.99Å; D51-K144 VanDerWaalsContact OD1-N 3.09Å; D51-K144 PolarHBondContact OD2-N 3.3Å; E141-K144 WeakPolarHBondContact O-CG 3.29Å; I142-K144 PolarHBondContact O-N 3.04Å; I142-K144 VanDerWaalsContact O-N 3.07Å; K144-K148 VanDerWaalsContact O-CB 3.27Å; K144-K148 WeakPolarHBondContact O-CB 3.47Å; K144-K148 PolarHBondContact O-N 3.49Å
145N88.3Confident81.8Confident54 Ų5432.5 Ų32.529%0.28916%0.163SC..Hα-helixtrans-72.4-42-179.8-62.8-70.9000109.8A47 D51 S143 K148 I149A47-N145 HydrophobicContact CB-CB 3.65Å; D51-N145 PolarHBondContact OD1-N 2.88Å; D51-N145 PolarHBondContact OD1-ND2 3.11Å; D51-N145 WeakPolarHBondContact OD2-CB 3.44Å; D51-N145 PolarHBondContact OD2-N 3.04Å; S143-N145 VanDerWaalsContact C-N 3.31Å; S143-N145 PolarHBondContact O-N 3.1Å; N145-K148 PolarHBondContact O-N 3.5Å; N145-I149 WeakPolarHBondContact O-CD1 3.37Å; N145-I149 WeakPolarHBondContact O-CG1 3.29Å; N145-I149 PolarHBondContact O-N 3.45Å
146V88.4Confident82Confident1 Ų137.7 Ų37.71%0.00619%0.185CC..Hα-helixtrans-65-45.1172.1172.80000111.9A47 L48 D51 P117 L118 S143 K148 I149 L150A47-V146 HydrophobicContact CB-CG2 3.97Å; L48-V146 HydrophobicContact CD2-CG2 3.86Å; L48-V146 HydrophobicContact CG-CG2 4.11Å; D51-V146 PolarHBondContact OD2-N 3.34Å; P117-V146 HydrophobicContact CB-CB 4.32Å; P117-V146 HydrophobicContact CB-CG1 3.85Å; P117-V146 HydrophobicContact CG-CB 4.1Å; P117-V146 HydrophobicContact CG-CG1 3.92Å; P117-V146 HydrophobicContact CG-CG2 4.03Å; L118-V146 HydrophobicContact CD2-CG1 3.52Å; L118-V146 HydrophobicContact CG-CG1 3.82Å; S143-V146 PolarHBondContact O-N 2.99Å; V146-K148 VanDerWaalsContact C-N 3.27Å; V146-K148 PolarHBondContact O-N 2.94Å; V146-I149 PolarHBondContact O-N 2.88Å; V146-L150 HydrophobicContact CG1-CD1 3.77Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.23Å; V146-L150 PolarHBondContact O-N 3.33Å
147E83.4Confident82.3Confident2 Ų238.5 Ų38.51%0.00919%0.187CC..Hα-helixtrans-54.1-46.5173.2-177.1-162.1-148.200110.4P139 S143 L150 A151 L165 G166 R167P139-E147 HydrophobicContact CB-CG 4.39Å; S143-E147 WeakPolarHBondContact O-CB 3.34Å; S143-E147 PolarHBondContact O-N 3.01Å; E147-L150 PolarHBondContact O-N 3.39Å; E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 2.83Å; E147-L165 WeakPolarHBondContact OE1-CD2 3.43Å; E147-G166 PolarHBondContact OE1-N 3.47Å; E147-R167 IonicContact OE2-CZ 2.91Å; E147-R167 IonicContact OE2-NE 3.09Å; E147-R167 PolarHBondContact OE2-NE 2.94Å; E147-R167 IonicContact OE2-NH2 3.3Å; E147-R167 PolarHBondContact OE2-NH2 3.11Å
148K81.6Confident82.3Confident106 Ų10638.8 Ų38.846%0.46119%0.189SC..Hα-helixtrans-63.2-42.5179.9-171.3-178.5175.7-172.80112.3K144 N145 V146 A151 E152K144-K148 VanDerWaalsContact O-CB 3.27Å; K144-K148 WeakPolarHBondContact O-CB 3.47Å; K144-K148 PolarHBondContact O-N 3.49Å; N145-K148 PolarHBondContact O-N 3.5Å; V146-K148 VanDerWaalsContact C-N 3.27Å; V146-K148 PolarHBondContact O-N 2.94Å; K148-A151 WeakPolarHBondContact O-CB 3.31Å; K148-A151 PolarHBondContact O-N 3.35Å; K148-A151 VanDerWaalsContact O-N 3.11Å; K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 WeakPolarHBondContact CE-OE2 3.35Å; K148-E152 HydrophobicContact CG-CG 4.31Å; K148-E152 WeakPolarHBondContact CG-OE1 3.33Å; K148-E152 IonicContact NZ-OE2 3.87Å; K148-E152 WeakPolarHBondContact O-CB 3.33Å; K148-E152 PolarHBondContact O-N 3.48Å
149I87.9Confident81.9Confident13 Ų1339.1 Ų39.17%0.06719%0.194CC..Hα-helixtrans-66.6-44.5177.2-66.1159.1000111F36 L43 L44 A47 N145 V146 A151 V153 L154F36-I149 HydrophobicContact CE2-CG2 3.92Å; F36-I149 HydrophobicContact CZ-CG2 3.96Å; L43-I149 HydrophobicContact CD1-CD1 4.05Å; L43-I149 HydrophobicContact CD1-CG1 4.37Å; L43-I149 HydrophobicContact CD2-CD1 4.39Å; L43-I149 HydrophobicContact CD2-CG1 4.19Å; L43-I149 HydrophobicContact CD2-CG2 4.4Å; L43-I149 HydrophobicContact CG-CD1 3.72Å; L43-I149 HydrophobicContact CG-CG1 4.05Å; L43-I149 WeakPolarHBondContact O-CD1 3.31Å; L44-I149 HydrophobicContact CD2-CG2 3.75Å; A47-I149 HydrophobicContact CB-CD1 3.33Å; N145-I149 WeakPolarHBondContact O-CD1 3.37Å; N145-I149 WeakPolarHBondContact O-CG1 3.29Å; N145-I149 PolarHBondContact O-N 3.45Å; V146-I149 PolarHBondContact O-N 2.88Å; I149-A151 PolarHBondContact O-N 3.24Å; I149-V153 HydrophobicContact CG2-CB 4Å; I149-V153 HydrophobicContact CG2-CG2 4.1Å; I149-V153 WeakPolarHBondContact O-CA 3.24Å; I149-V153 VanDerWaalsContact O-CB 3.3Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 PolarHBondContact O-N 3.36Å; I149-L154 PolarHBondContact O-N 3.4Å
150L84.6Confident80.9Confident2 Ų245.7 Ų45.71%0.0122%0.224CC..Hα-helixtrans-61.3-25.5172.2-67.6170.2000111.9F36 L118 T121 L122 P139 V146 E147 L154F36-L150 HydrophobicContact CE1-CD2 4.25Å; F36-L150 HydrophobicContact CZ-CD2 4.17Å; L118-L150 HydrophobicContact CD2-CD1 4.37Å; L118-L150 HydrophobicContact CD2-CD2 4.05Å; L118-L150 HydrophobicContact CD2-CG 4.24Å; T121-L150 HydrophobicContact CG2-CD1 4.16Å; L122-L150 HydrophobicContact CD2-CD2 4.01Å; P139-L150 HydrophobicContact CB-CD1 3.84Å; P139-L150 HydrophobicContact CG-CB 4.21Å; P139-L150 HydrophobicContact CG-CD1 3.86Å; V146-L150 HydrophobicContact CG1-CD1 3.77Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.23Å; V146-L150 PolarHBondContact O-N 3.33Å; E147-L150 PolarHBondContact O-N 3.39Å; L150-L154 HydrophobicContact CD2-CD2 3.94Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å
151A77.6Confident79.7Confident19 Ų1946.6 Ų46.616%0.15723%0.231CC..Hα-helixtrans-86.5-38.1-179.200000114.8E147 K148 I149 P155 N164E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 2.83Å; K148-A151 WeakPolarHBondContact O-CB 3.31Å; K148-A151 PolarHBondContact O-N 3.35Å; K148-A151 VanDerWaalsContact O-N 3.11Å; I149-A151 PolarHBondContact O-N 3.24Å; A151-P155 WeakPolarHBondContact O-CG 3.48Å; A151-N164 WeakPolarHBondContact CA-ND2 3.4Å; A151-N164 HydrophobicContact CB-CB 3.76Å; A151-N164 VanDerWaalsContact CB-CG 3.47Å; A151-N164 VanDerWaalsContact CB-ND2 3.33Å; A151-N164 WeakPolarHBondContact CB-ND2 3.37Å; A151-N164 PolarHBondContact O-ND2 2.79Å
152E82.6Confident78.1Confident116 Ų11646.4 Ų46.454%0.54223%0.233SC..Hα-helixtrans-108.6-28-169.7-64.3176-169.500113.1K148 Q156K148-E152 WeakPolarHBondContact CE-OE1 3.42Å; K148-E152 WeakPolarHBondContact CE-OE2 3.35Å; K148-E152 HydrophobicContact CG-CG 4.31Å; K148-E152 WeakPolarHBondContact CG-OE1 3.33Å; K148-E152 IonicContact NZ-OE2 3.87Å; K148-E152 WeakPolarHBondContact O-CB 3.33Å; K148-E152 PolarHBondContact O-N 3.48Å; E152-Q156 PolarHBondContact O-NE2 3.39Å
153V86.8Confident75.8Confident23 Ų2349.1 Ų49.114%0.13925%0.253CS..THydrogen-bonded Turntrans-103.3-47.9-174.3-174.30000111.6F36 N40 L43 I149 P155 Q156 Y157F36-V153 HydrophobicContact CD2-CG1 4.17Å; F36-V153 HydrophobicContact CE2-CB 4.16Å; F36-V153 HydrophobicContact CE2-CG1 3.99Å; N40-V153 WeakPolarHBondContact OD1-CG1 3.4Å; L43-V153 HydrophobicContact CD2-CG2 4.25Å; I149-V153 HydrophobicContact CG2-CB 4Å; I149-V153 HydrophobicContact CG2-CG2 4.1Å; I149-V153 WeakPolarHBondContact O-CA 3.24Å; I149-V153 VanDerWaalsContact O-CB 3.3Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 PolarHBondContact O-N 3.36Å; V153-P155 VanDerWaalsContact C-CD 3.43Å; V153-P155 VanDerWaalsContact C-N 3.34Å; V153-Q156 VanDerWaalsContact O-CB 3.26Å; V153-Q156 WeakPolarHBondContact O-CB 3.33Å; V153-Q156 WeakPolarHBondContact O-CG 3.31Å; V153-Q156 PolarHBondContact O-N 2.98Å; V153-Y157 HydrophobicContact CG1-CE2 4.07Å; V153-Y157 WeakPolarHBondContact O-CD2 3.32Å
154L81.6Confident73.4Confident6 Ų651.2 Ų51.23%0.03126%0.264CS..G310 helixtrans-52.4-41-179.9174.563.7000114L33 F36 L125 L137 I149 L150 Q156 Y157 V158L33-L154 HydrophobicContact CD2-CD1 3.51Å; F36-L154 HydrophobicContact CB-CD1 4.37Å; F36-L154 HydrophobicContact CD1-CD1 3.86Å; F36-L154 HydrophobicContact CD2-CB 4.24Å; F36-L154 HydrophobicContact CD2-CD1 4.25Å; F36-L154 HydrophobicContact CE1-CD1 4.18Å; F36-L154 HydrophobicContact CE2-CB 3.93Å; F36-L154 HydrophobicContact CG-CD1 3.89Å; F36-L154 HydrophobicContact CZ-CB 4.1Å; L125-L154 HydrophobicContact CD2-CD2 4.39Å; L137-L154 HydrophobicContact CD1-CD2 3.82Å; I149-L154 PolarHBondContact O-N 3.4Å; L150-L154 HydrophobicContact CD2-CD2 3.94Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L154-Q156 PolarHBondContact O-N 2.91Å; L154-Y157 PolarHBondContact O-N 2.94Å; L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 HydrophobicContact CG-CG2 4.38Å
155P81.3Confident70.7Confident32 Ų3251.7 Ų51.721%0.20827%0.271CS..G310 helixtrans-60.8-17.1176.6-24.435.8000114.4A151 V153 Y157 Q160A151-P155 WeakPolarHBondContact O-CG 3.48Å; V153-P155 VanDerWaalsContact C-CD 3.43Å; V153-P155 VanDerWaalsContact C-N 3.34Å; P155-Y157 PolarHBondContact O-N 3.12Å; P155-Q160 HydrophobicContact CB-CG 4.25Å; P155-Q160 WeakPolarHBondContact O-CG 3.42Å; P155-Q160 PolarHBondContact O-NE2 3.2Å
156Q85.9Confident67.6Low130 Ų13050.4 Ų50.461%0.60727%0.271SS*.G310 helixtrans-72.1-14.9176.1-53.9178.837.100112.1E152 V153 L154E152-Q156 PolarHBondContact O-NE2 3.39Å; V153-Q156 VanDerWaalsContact O-CB 3.26Å; V153-Q156 WeakPolarHBondContact O-CB 3.33Å; V153-Q156 WeakPolarHBondContact O-CG 3.31Å; V153-Q156 PolarHBondContact O-N 2.98Å; L154-Q156 PolarHBondContact O-N 2.91Å
157Y87.8Confident64.5Low39 Ų3956.3 Ų56.315%0.15329%0.293CS..THydrogen-bonded Turntrans-110.3-17.9-174.3-68.2-88.9000114.7G32 R35 F36 E39 N40 V153 L154 P155G32-Y157 WeakPolarHBondContact CA-O 3.4Å; R35-Y157 HydrophobicContact CB-CD1 3.77Å; R35-Y157 HydrophobicContact CB-CE1 3.83Å; F36-Y157 HydrophobicContact CB-CD1 4.07Å; F36-Y157 HydrophobicContact CB-CD2 3.8Å; F36-Y157 HydrophobicContact CB-CE2 4.32Å; F36-Y157 HydrophobicContact CB-CG 3.67Å; F36-Y157 AromaticContact CD2-CD2 3.87Å; F36-Y157 HydrophobicContact CD2-CD2 3.87Å; F36-Y157 HydrophobicContact CD2-CE2 4.11Å; F36-Y157 HydrophobicContact CG-CD2 4.31Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.48Å; E39-Y157 PolarHBondContact OE2-OH 2.67Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.48Å; N40-Y157 PolarHBondContact ND2-OH 2.71Å; N40-Y157 VanDerWaalsContact ND2-OH 3.07Å; V153-Y157 HydrophobicContact CG1-CE2 4.07Å; V153-Y157 WeakPolarHBondContact O-CD2 3.32Å; L154-Y157 PolarHBondContact O-N 2.94Å; P155-Y157 PolarHBondContact O-N 3.12Å
158V79.3Confident61.9Low32 Ų3260.5 Ų60.519%0.19432%0.315CS..SBendtrans-129.1167.8-178.5-62.30000111L33 L154 Q160L33-V158 HydrophobicContact CD2-CG1 3.77Å; L33-V158 HydrophobicContact CG-CG1 4.26Å; L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 HydrophobicContact CG-CG2 4.38Å; V158-Q160 PolarHBondContact O-N 3.12Å
159D73.6Confident60.3Low69 Ų6958 Ų5837%0.36931%0.306SS..  trans-56.8124179.6-173.5-74.8000112F25 S161F25-D159 HydrophobicContact CZ-CB 4.2Å; D159-S161 PolarHBondContact O-N 2.95Å; D159-S161 PolarHBondContact OD1-OG 3.07Å
160Q56.2Low58.8Low140 Ų14061.3 Ų61.365%0.65432%0.324SS*.  trans-81.526.7-160.8-74.5178.1-3.200115.8P155 V158 S162P155-Q160 HydrophobicContact CB-CG 4.25Å; P155-Q160 WeakPolarHBondContact O-CG 3.42Å; P155-Q160 PolarHBondContact O-NE2 3.2Å; V158-Q160 PolarHBondContact O-N 3.12Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 3.35Å
161S53.1Low58Low25 Ų2564.4 Ų64.418%0.17534%0.338CS..  trans-772.1-167.132.50000116.5L11 D159L11-S161 WeakPolarHBondContact CD2-OG 3.38Å; D159-S161 PolarHBondContact O-N 2.95Å; D159-S161 PolarHBondContact OD1-OG 3.07Å
162S36.9Very low57.9Low32 Ų3270.5 Ų70.522%0.22436%0.361CS..  trans-156.6134.6-176.3-173.30000116.8T7 Q160T7-S162 WeakPolarHBondContact CG2-OG 3.47Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 3.35Å
163P30.8Very low57.4Low89 Ų8968.2 Ų68.258%0.57835%0.35SS*.  trans-105.6-176.1165.536.1-27.2000115.2
164N32.2Very low56.7Low45 Ų4567.6 Ų67.624%0.24135%0.346CS..  trans-125.5174.2-145.4-54.8-92.8000117.3A151A151-N164 WeakPolarHBondContact CA-ND2 3.4Å; A151-N164 HydrophobicContact CB-CB 3.76Å; A151-N164 VanDerWaalsContact CB-CG 3.47Å; A151-N164 VanDerWaalsContact CB-ND2 3.33Å; A151-N164 WeakPolarHBondContact CB-ND2 3.37Å; A151-N164 PolarHBondContact O-ND2 2.79Å
165L25.2Very low56.6Low110 Ų11072.1 Ų72.158%0.57637%0.367SS*.  trans143.2155.6137-86.3142.9000119.2E147 R167E147-L165 WeakPolarHBondContact OE1-CD2 3.43Å; L165-R167 VanDerWaalsContact CD2-CZ 3.46Å
166G22.6Very low56.9Low28 Ų2873.4 Ų73.429%0.28937%0.367SS..  trans141.1135142.300000119.9K138 E141 E147K138-G166 PolarHBondContact NZ-O 3.1Å; E141-G166 VanDerWaalsContact CB-C 3.43Å; E141-G166 WeakPolarHBondContact CB-O 3.46Å; E141-G166 WeakPolarHBondContact CG-O 3.15Å; E147-G166 PolarHBondContact OE1-N 3.47Å
167R23.1Very low56.6Low124 Ų12468.1 Ų68.147%0.46834%0.343SS..  trans-134.5144.8-135.2-46.6-178.4164.6128.5-3.8125.9E141 E147 L165E141-R167 VanDerWaalsContact CB-CA 3.45Å; E141-R167 HydrophobicContact CB-CB 3.96Å; E141-R167 HydrophobicContact CB-CG 3.84Å; E141-R167 VanDerWaalsContact CG-CA 3.48Å; E141-R167 HydrophobicContact CG-CB 4.33Å; E141-R167 VanDerWaalsContact O-CB 3.25Å; E141-R167 WeakPolarHBondContact O-CB 3.47Å; E141-R167 WeakPolarHBondContact O-CD 3.34Å; E141-R167 WeakPolarHBondContact O-CG 3.36Å; E141-R167 WeakPolarHBondContact OE1-CA 3.42Å; E147-R167 IonicContact OE2-CZ 2.91Å; E147-R167 IonicContact OE2-NE 3.09Å; E147-R167 PolarHBondContact OE2-NE 2.94Å; E147-R167 IonicContact OE2-NH2 3.3Å; E147-R167 PolarHBondContact OE2-NH2 3.11Å; L165-R167 VanDerWaalsContact CD2-CZ 3.46Å
168I28.5Very low56.3Low91 Ų9171.8 Ų71.847%0.46736%0.357SS..  158.5140.4116.5-82.5159.1000119E141 I142 N170E141-I168 PolarHBondContact OE1-N 3.46Å; I142-I168 VanDerWaalsContact CG1-C 3.49Å; I168-N170 HydrophobicContact CG2-CB 3.58Å
169I48.8Very low56.6Low54 Ų5473.7 Ų73.728%0.27738%0.376SS..  trans-81.6-50.6169.4-128174.3000114.5W114 I142 Q173W114-I169 HydrophobicContact CD2-CD1 3.53Å; W114-I169 HydrophobicContact CD2-CG1 4.25Å; W114-I169 HydrophobicContact CE3-CD1 3.51Å; W114-I169 HydrophobicContact CG-CD1 4.14Å; W114-I169 HydrophobicContact CH2-CD1 3.85Å; W114-I169 HydrophobicContact CZ2-CD1 3.85Å; W114-I169 HydrophobicContact CZ2-CG1 4.43Å; W114-I169 HydrophobicContact CZ3-CD1 3.7Å; I142-I169 HydrophobicContact CB-CB 4.3Å; I142-I169 HydrophobicContact CB-CG1 4.49Å; I142-I169 HydrophobicContact CD1-CB 4.11Å; I142-I169 HydrophobicContact CD1-CG1 3.9Å; I142-I169 HydrophobicContact CG1-CB 4.29Å; I142-I169 HydrophobicContact CG1-CG1 4.49Å; I142-I169 HydrophobicContact CG2-CB 3.47Å; I142-I169 VanDerWaalsContact CG2-CB 3.47Å; I142-I169 HydrophobicContact CG2-CD1 3.45Å; I142-I169 VanDerWaalsContact CG2-CD1 3.45Å; I142-I169 HydrophobicContact CG2-CG1 3.46Å; I142-I169 VanDerWaalsContact CG2-CG1 3.46Å; I169-Q173 HydrophobicContact CG1-CG 4.47Å
170N57.2Low57.3Low82 Ų8270.7 Ų70.744%0.43936%0.36SS..  trans48.5174.6-17473.670.2000120.1I168 K172 Q173I168-N170 HydrophobicContact CG2-CB 3.58Å; N170-K172 PolarHBondContact O-N 2.93Å; N170-K172 VanDerWaalsContact O-N 3.12Å; N170-K172 WeakPolarHBondContact OD1-CB 3.34Å; N170-K172 PolarHBondContact OD1-N 3.47Å; N170-Q173 PolarHBondContact O-N 3.39Å
171Q65.9Low58.5Low66 Ų6665.1 Ų65.131%0.30834%0.335SS..Hα-helixtrans-52.4-25.6179.1-167.766.6500114.6Q173 F174 Q175 E194Q171-Q173 VanDerWaalsContact C-N 3.26Å; Q171-Q173 PolarHBondContact O-N 3.49Å; Q171-F174 PolarHBondContact O-N 3.31Å; Q171-Q175 HydrophobicContact CG-CG 4.19Å; Q171-Q175 PolarHBondContact O-N 3.01Å; Q171-E194 PolarHBondContact NE2-OE1 3.39Å
172K76.1Confident60Low148 Ų14867.2 Ų67.264%0.64336%0.36SS*.Hα-helixtrans-57.6-36.8-178.5-174.4-176.4177.8-175.20112.4N170 Q175 R176N170-K172 PolarHBondContact O-N 2.93Å; N170-K172 VanDerWaalsContact O-N 3.12Å; N170-K172 WeakPolarHBondContact OD1-CB 3.34Å; N170-K172 PolarHBondContact OD1-N 3.47Å; K172-Q175 PolarHBondContact O-N 2.9Å; K172-R176 WeakPolarHBondContact O-CB 3.47Å; K172-R176 PolarHBondContact O-N 3.37Å
173Q71.6Confident62.4Low67 Ų6766.1 Ų66.131%0.31335%0.352SS..Hα-helixtrans-71.5-39.2179.4-67.3-62.7-800112.2I169 N170 Q171 R176 L177I169-Q173 HydrophobicContact CG1-CG 4.47Å; N170-Q173 PolarHBondContact O-N 3.39Å; Q171-Q173 VanDerWaalsContact C-N 3.26Å; Q171-Q173 PolarHBondContact O-N 3.49Å; Q173-R176 PolarHBondContact O-N 2.84Å; Q173-L177 WeakPolarHBondContact O-CG 3.48Å; Q173-L177 PolarHBondContact O-N 2.88Å
174F72.9Confident65Low11 Ų1163.2 Ų63.25%0.04834%0.338CS..Hα-helixtrans-61.2-47.2172.2174.5-95.1000111.2Q171 R176 L177 R178 E194 R197 I199Q171-F174 PolarHBondContact O-N 3.31Å; F174-R176 PolarHBondContact O-N 2.71Å; F174-L177 PolarHBondContact O-N 3.2Å; F174-R178 WeakPolarHBondContact O-CB 3.43Å; F174-R178 PolarHBondContact O-N 3.34Å; F174-E194 HydrophobicContact CD1-CB 4.47Å; F174-E194 HydrophobicContact CD1-CG 4.04Å; F174-E194 HydrophobicContact CE1-CB 3.57Å; F174-E194 HydrophobicContact CE1-CG 3.56Å; F174-E194 VanDerWaalsContact CZ-CA 3.47Å; F174-E194 HydrophobicContact CZ-CB 3.92Å; F174-E194 HydrophobicContact CZ-CG 4.37Å; F174-R197 HydrophobicContact CB-CB 4.36Å; F174-R197 HydrophobicContact CB-CG 4.33Å; F174-R197 VanDerWaalsContact CD2-CA 3.46Å; F174-R197 HydrophobicContact CD2-CB 3.87Å; F174-R197 HydrophobicContact CD2-CG 4.46Å; F174-R197 WeakPolarHBondContact CD2-O 3.47Å; F174-R197 HydrophobicContact CG-CB 4.25Å; F174-R197 HydrophobicContact CG-CG 4.37Å; F174-I199 HydrophobicContact CD2-CD1 4.08Å; F174-I199 HydrophobicContact CD2-CG1 4.03Å; F174-I199 HydrophobicContact CE2-CD1 4.02Å; F174-I199 HydrophobicContact CE2-CG1 3.6Å
175Q80.6Confident67.8Low101 Ų10167.6 Ų67.647%0.47235%0.351SS..Hα-helixtrans-65.6-37.2179.7-71.2177.6-15.700112.6Q171 K172 A179 E194Q171-Q175 HydrophobicContact CG-CG 4.19Å; Q171-Q175 PolarHBondContact O-N 3.01Å; K172-Q175 PolarHBondContact O-N 2.9Å; Q175-A179 PolarHBondContact O-N 3.17Å; Q175-A179 VanDerWaalsContact O-N 3.1Å; Q175-E194 PolarHBondContact NE2-OE1 2.83Å; Q175-E194 VanDerWaalsContact NE2-OE1 3.13Å
176R87.3Confident70.9Confident59 Ų5965.3 Ų65.322%0.22334%0.341CS..Hα-helixtrans-59.2-54.4172-174.5-176.868.788.80.8110.9K172 Q173 F174 R178 A179 L180 E216 E217 I218K172-R176 WeakPolarHBondContact O-CB 3.47Å; K172-R176 PolarHBondContact O-N 3.37Å; Q173-R176 PolarHBondContact O-N 2.84Å; F174-R176 PolarHBondContact O-N 2.71Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.01Å; R176-A179 WeakPolarHBondContact O-CB 3.14Å; R176-A179 PolarHBondContact O-N 3.41Å; R176-A179 VanDerWaalsContact O-N 3.13Å; R176-L180 PolarHBondContact O-N 3Å; R176-E216 VanDerWaalsContact CD-OE1 3.24Å; R176-E216 WeakPolarHBondContact CD-OE1 3.2Å; R176-E216 WeakPolarHBondContact CG-OE1 3.32Å; R176-E216 IonicContact CZ-OE1 2.67Å; R176-E216 IonicContact NE-OE1 2.79Å; R176-E216 IonicContact NH1-OE1 3.15Å; R176-E216 PolarHBondContact NH1-OE1 2.79Å; R176-E217 PolarHBondContact NH1-O 3.09Å; R176-I218 PolarHBondContact NH1-O 3.14Å; R176-I218 PolarHBondContact NH2-O 3.44Å
177L79.2Confident73.9Confident19 Ų1966.3 Ų66.310%0.09935%0.347CS..Hα-helixtrans-59.9-42.8179.6-71.4172.9000112.3Q173 F174 A179 L180 I199 I218 I222Q173-L177 WeakPolarHBondContact O-CG 3.48Å; Q173-L177 PolarHBondContact O-N 2.88Å; F174-L177 PolarHBondContact O-N 3.2Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 3.02Å; L177-L180 HydrophobicContact CD2-CD1 4.47Å; L177-L180 WeakPolarHBondContact O-CB 3.12Å; L177-L180 PolarHBondContact O-N 3.02Å; L177-L180 VanDerWaalsContact O-N 3.13Å; L177-I199 HydrophobicContact CB-CD1 3.44Å; L177-I199 VanDerWaalsContact CB-CD1 3.44Å; L177-I199 HydrophobicContact CD1-CD1 4.35Å; L177-I218 HydrophobicContact CD2-CG2 4.1Å; L177-I218 WeakPolarHBondContact CD2-O 3.4Å; L177-I222 HydrophobicContact CD2-CD1 4.49Å; L177-I222 WeakPolarHBondContact O-CD1 3.4Å
178R81.1Confident76.6Confident115 Ų11565.6 Ų65.643%0.43435%0.352SS..Hα-helixtrans-61.1-34.1177.1-175.1178.1174.6-1692.7112.6F174 R176 L181 E194F174-R178 WeakPolarHBondContact O-CB 3.43Å; F174-R178 PolarHBondContact O-N 3.34Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.01Å; R178-L181 HydrophobicContact CG-CD1 4.39Å; R178-L181 WeakPolarHBondContact O-CB 3.42Å; R178-L181 PolarHBondContact O-N 3.42Å; R178-E194 IonicContact CZ-OE2 3.28Å; R178-E194 IonicContact NH1-OE2 2.74Å; R178-E194 PolarHBondContact NH1-OE2 3.08Å
179A86.8Confident79.4Confident72 Ų7262.5 Ų62.560%0.59534%0.342SS*.Hα-helixtrans-67.3-35.4175.500000112.7Q175 R176 L177 L181 G182Q175-A179 PolarHBondContact O-N 3.17Å; Q175-A179 VanDerWaalsContact O-N 3.1Å; R176-A179 WeakPolarHBondContact O-CB 3.14Å; R176-A179 PolarHBondContact O-N 3.41Å; R176-A179 VanDerWaalsContact O-N 3.13Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 3.02Å; A179-L181 PolarHBondContact O-N 3.3Å; A179-G182 PolarHBondContact O-N 2.88Å
180L87.5Confident80.6Confident6 Ų661.1 Ų61.13%0.03134%0.341CS..Hα-helixtrans-66.2-18.8178.8-58.6-178000113.6R176 L177 G182 C183 L204 P212 V213 I218 I222R176-L180 PolarHBondContact O-N 3Å; L177-L180 HydrophobicContact CD2-CD1 4.47Å; L177-L180 WeakPolarHBondContact O-CB 3.12Å; L177-L180 PolarHBondContact O-N 3.02Å; L177-L180 VanDerWaalsContact O-N 3.13Å; L180-G182 PolarHBondContact O-N 3.34Å; L180-C183 WeakPolarHBondContact O-CB 3.31Å; L180-C183 PolarHBondContact O-N 3.49Å; L180-L204 WeakPolarHBondContact O-CD1 3.37Å; L180-P212 HydrophobicContact CD2-CB 3.94Å; L180-V213 HydrophobicContact CB-CB 4.28Å; L180-V213 HydrophobicContact CB-CG2 4.1Å; L180-V213 HydrophobicContact CD1-CG2 4.37Å; L180-V213 HydrophobicContact CD2-CB 4.32Å; L180-I218 HydrophobicContact CD1-CG2 4.33Å; L180-I222 HydrophobicContact CB-CD1 3.98Å
181L82.1Confident81.7Confident24 Ų2462.9 Ų62.913%0.12635%0.347CS..THydrogen-bonded Turntrans-62.6-20.1176.8-61.7173.2000113.2R178 A179 I199 T202 I222R178-L181 HydrophobicContact CG-CD1 4.39Å; R178-L181 WeakPolarHBondContact O-CB 3.42Å; R178-L181 PolarHBondContact O-N 3.42Å; A179-L181 PolarHBondContact O-N 3.3Å; L181-I199 HydrophobicContact CD1-CG2 4.42Å; L181-I199 HydrophobicContact CD2-CG2 4.31Å; L181-T202 HydrophobicContact CD2-CG2 3.8Å; L181-I222 HydrophobicContact CD2-CD1 3.59Å; L181-I222 HydrophobicContact CD2-CG1 3.85Å; L181-I222 HydrophobicContact CG-CD1 4.07Å
182G83.5Confident82.2Confident68 Ų6862 Ų6270%0.70135%0.348SS*.THydrogen-bonded Turntrans-85-9.3177.800000115.3A179 L180 G184A179-G182 PolarHBondContact O-N 2.88Å; L180-G182 PolarHBondContact O-N 3.34Å; G182-G184 PolarHBondContact O-N 2.93Å; G182-G184 VanDerWaalsContact O-N 3.08Å
183C86.9Confident81.7Confident10 Ų1058.4 Ų58.47%0.06834%0.336CS..SBendtrans-78.217.9-172.6-73.10000115.3L180 E211 V213L180-C183 WeakPolarHBondContact O-CB 3.31Å; L180-C183 PolarHBondContact O-N 3.49Å; C183-E211 WeakPolarHBondContact CA-OE2 3.44Å; C183-E211 HydrophobicContact CB-CB 3.97Å; C183-E211 HydrophobicContact CB-CG 4.32Å; C183-E211 PolarHBondContact SG-OE2 3.11Å; C183-V213 HydrophobicContact CB-CB 3.76Å; C183-V213 HydrophobicContact CB-CG1 3.47Å; C183-V213 VanDerWaalsContact CB-CG1 3.47Å
184G86.1Confident81.7Confident27 Ų2758.6 Ų58.628%0.27834%0.337SS..SBendtrans170.4-177.3-177.500000111.6G182G182-G184 PolarHBondContact O-N 2.93Å; G182-G184 VanDerWaalsContact O-N 3.08Å
185R91.8Very high81.4Confident138 Ų13862.7 Ų62.752%0.52137%0.366SS..EExtended strand (participates in β ladder)trans-85.3121.2177-177.3169.556.383.9-1.2109.9A187 L204 V205 D206R185-A187 PolarHBondContact O-N 2.96Å; R185-L204 WeakPolarHBondContact O-CA 3.41Å; R185-V205 HydrophobicContact CB-CG2 4.18Å; R185-V205 VanDerWaalsContact CZ-CG2 3.41Å; R185-V205 PolarHBondContact N-O 2.81Å; R185-V205 PolarHBondContact O-N 2.92Å; R185-D206 IonicContact CZ-OD2 3.9Å; R185-D206 IonicContact NE-OD2 2.8Å; R185-D206 PolarHBondContact NE-OD2 3.16Å; R185-D206 IonicContact NH2-OD1 3.5Å; R185-D206 IonicContact NH2-OD2 3.87Å; R185-D206 PolarHBondContact NH2-OD2 2.98Å
186V89.4Confident80.5Confident61 Ų6161.9 Ų61.937%0.3737%0.365SS..EExtended strand (participates in β ladder)trans-63.6116.2170.4178.10000109.2I188 T202 L204V186-I188 WeakPolarHBondContact CG1-O 3.2Å; V186-T202 HydrophobicContact CG1-CG2 4.21Å; V186-T202 HydrophobicContact CG2-CG2 4.33Å; V186-L204 HydrophobicContact CB-CD2 4.41Å; V186-L204 HydrophobicContact CG2-CD2 3.7Å
187A84.9Confident79.5Confident50 Ų5064.9 Ų64.941%0.41338%0.377SS..EExtended strand (participates in β ladder)trans-94.9-35173.600000112.2R185 V203 V205R185-A187 PolarHBondContact O-N 2.96Å; A187-V203 PolarHBondContact N-O 2.77Å; A187-V205 HydrophobicContact CB-CG1 3.85Å; A187-V205 HydrophobicContact CB-CG2 3.93Å
188I80.7Confident78.6Confident109 Ų10969.4 Ų69.456%0.55939%0.393SS*.EExtended strand (participates in β ladder)trans-141.5142.7179.3-56.5176.3000107.2V186 T202 V203V186-I188 WeakPolarHBondContact CG1-O 3.2Å; I188-T202 CarbonylContact O-C 3.33Å; I188-T202 VanDerWaalsContact O-CA 3.26Å; I188-T202 WeakPolarHBondContact O-CA 3.28Å; I188-V203 HydrophobicContact CB-CB 4.04Å; I188-V203 HydrophobicContact CB-CG2 4.11Å; I188-V203 HydrophobicContact CD1-CB 4.44Å; I188-V203 HydrophobicContact CD1-CG2 4.12Å; I188-V203 HydrophobicContact CG1-CB 4.34Å; I188-V203 HydrophobicContact CG1-CG2 4.44Å; I188-V203 PolarHBondContact N-O 3.18Å; I188-V203 PolarHBondContact O-N 2.85Å
189G87.3Confident77.6Confident25 Ų2564.5 Ų64.526%0.25838%0.376SS..  trans81.3-133.5175.100000113.7Q191G189-Q191 VanDerWaalsContact CA-OE1 3.3Å; G189-Q191 PolarHBondContact O-NE2 3.37Å; G189-Q191 PolarHBondContact O-OE1 3.36Å
190G74.3Confident76.5Confident26 Ų2661.3 Ų61.327%0.26835%0.349SS..  trans88.3-8.4-179.100000115.5T202G190-T202 PolarHBondContact N-OG1 3.23Å
191Q79.9Confident75.7Confident118 Ų11865.5 Ų65.555%0.55138%0.377SS*.  trans-70.8140.4174.5-57.2771400110.4G189 A200G189-Q191 VanDerWaalsContact CA-OE1 3.3Å; G189-Q191 PolarHBondContact O-NE2 3.37Å; G189-Q191 PolarHBondContact O-OE1 3.36Å; Q191-A200 HydrophobicContact CB-CB 4.07Å; Q191-A200 PolarHBondContact O-N 3.4Å
192S75.6Confident75.1Confident48 Ų4864.4 Ų64.434%0.33637%0.371SS..EExtended strand (participates in β ladder)trans-145.7146.8170.153.30000111.3Y198S192-Y198 CarbonylContact C-O 3.59Å; S192-Y198 WeakPolarHBondContact CA-O 3.36Å; S192-Y198 WeakPolarHBondContact CB-O 3.44Å
193D67Low75.1Confident73 Ų7362.4 Ų62.439%0.3935%0.345SS..EExtended strand (participates in β ladder)trans-123.8117.7172.3-171.4-29.2000108.6S195 R197 Y198D193-S195 VanDerWaalsContact C-N 3.35Å; D193-S195 WeakPolarHBondContact OD1-CA 3.24Å; D193-S195 WeakPolarHBondContact OD1-CB 3.26Å; D193-S195 PolarHBondContact OD1-N 2.86Å; D193-S195 PolarHBondContact OD1-OG 3.28Å; D193-R197 CarbonylContact O-C 3.49Å; D193-R197 VanDerWaalsContact O-CA 3.31Å; D193-R197 WeakPolarHBondContact O-CA 3.45Å; D193-R197 PolarHBondContact O-N 3.4Å; D193-Y198 PolarHBondContact N-O 2.86Å; D193-Y198 PolarHBondContact O-N 3.23Å
194E71.8Confident75.2Confident71 Ų7161.9 Ų61.933%0.33234%0.342SS..THydrogen-bonded Turntrans-74.3-24.6-178.7-175.1157-160.500113.3Q171 F174 Q175 R178Q171-E194 PolarHBondContact NE2-OE1 3.39Å; F174-E194 HydrophobicContact CD1-CB 4.47Å; F174-E194 HydrophobicContact CD1-CG 4.04Å; F174-E194 HydrophobicContact CE1-CB 3.57Å; F174-E194 HydrophobicContact CE1-CG 3.56Å; F174-E194 VanDerWaalsContact CZ-CA 3.47Å; F174-E194 HydrophobicContact CZ-CB 3.92Å; F174-E194 HydrophobicContact CZ-CG 4.37Å; Q175-E194 PolarHBondContact NE2-OE1 2.83Å; Q175-E194 VanDerWaalsContact NE2-OE1 3.13Å; R178-E194 IonicContact CZ-OE2 3.28Å; R178-E194 IonicContact NH1-OE2 2.74Å; R178-E194 PolarHBondContact NH1-OE2 3.08Å
195S65.5Low75.5Confident96 Ų9661.7 Ų61.767%0.67134%0.335SS*.THydrogen-bonded Turntrans-73-40.8179.471.40000111.8D193 R197D193-S195 VanDerWaalsContact C-N 3.35Å; D193-S195 WeakPolarHBondContact OD1-CA 3.24Å; D193-S195 WeakPolarHBondContact OD1-CB 3.26Å; D193-S195 PolarHBondContact OD1-N 2.86Å; D193-S195 PolarHBondContact OD1-OG 3.28Å; S195-R197 PolarHBondContact O-NH1 3.22Å
196D61.9Low75.5Confident84 Ų8459.6 Ų59.645%0.44933%0.334SS..THydrogen-bonded Turntrans-91.6-5.6176.5-159.334.9000113.1H53 Y198H53-D196 IonicContact CE1-OD1 3.84Å; D196-Y198 PolarHBondContact O-N 2.97Å
197R65.8Low75.5Confident122 Ų12257.1 Ų57.146%0.4632%0.319SS..THydrogen-bonded Turntrans56.528.1-170.8-59.2165-59.8-63-10.7112.9F174 D193 S195F174-R197 HydrophobicContact CB-CB 4.36Å; F174-R197 HydrophobicContact CB-CG 4.33Å; F174-R197 VanDerWaalsContact CD2-CA 3.46Å; F174-R197 HydrophobicContact CD2-CB 3.87Å; F174-R197 HydrophobicContact CD2-CG 4.46Å; F174-R197 WeakPolarHBondContact CD2-O 3.47Å; F174-R197 HydrophobicContact CG-CB 4.25Å; F174-R197 HydrophobicContact CG-CG 4.37Å; D193-R197 CarbonylContact O-C 3.49Å; D193-R197 VanDerWaalsContact O-CA 3.31Å; D193-R197 WeakPolarHBondContact O-CA 3.45Å; D193-R197 PolarHBondContact O-N 3.4Å; S195-R197 PolarHBondContact O-NH1 3.22Å
198Y60.9Low75.7Confident115 Ų11560.7 Ų60.745%0.45133%0.327SS..EExtended strand (participates in β ladder)trans-82.7135.6-179.2174.2-100.7000111.2S192 D193 D196 A200S192-Y198 CarbonylContact C-O 3.59Å; S192-Y198 WeakPolarHBondContact CA-O 3.36Å; S192-Y198 WeakPolarHBondContact CB-O 3.44Å; D193-Y198 PolarHBondContact N-O 2.86Å; D193-Y198 PolarHBondContact O-N 3.23Å; D196-Y198 PolarHBondContact O-N 2.97Å; Y198-A200 HydrophobicContact CE1-CB 3.92Å
199I60.6Low76.1Confident12 Ų1258.4 Ų58.46%0.06231%0.314CS..EExtended strand (participates in β ladder)trans-131.5124.7166.4-57.5178.7000106.5F174 L177 L181 P221F174-I199 HydrophobicContact CD2-CD1 4.08Å; F174-I199 HydrophobicContact CD2-CG1 4.03Å; F174-I199 HydrophobicContact CE2-CD1 4.02Å; F174-I199 HydrophobicContact CE2-CG1 3.6Å; L177-I199 HydrophobicContact CB-CD1 3.44Å; L177-I199 VanDerWaalsContact CB-CD1 3.44Å; L177-I199 HydrophobicContact CD1-CD1 4.35Å; L181-I199 HydrophobicContact CD1-CG2 4.42Å; L181-I199 HydrophobicContact CD2-CG2 4.31Å; I199-P221 HydrophobicContact CB-CG 3.85Å; I199-P221 HydrophobicContact CG2-CG 4.02Å; I199-P221 WeakPolarHBondContact O-CG 3.4Å
200A63.2Low76.2Confident5 Ų564.2 Ų64.24%0.04134%0.336CS..  trans-66.1148.4178.400000111Q191 Y198 T202Q191-A200 HydrophobicContact CB-CB 4.07Å; Q191-A200 PolarHBondContact O-N 3.4Å; Y198-A200 HydrophobicContact CE1-CB 3.92Å; A200-T202 PolarHBondContact O-N 2.85Å; A200-T202 PolarHBondContact O-OG1 3.25Å
201P71Confident77Confident93 Ų9366.2 Ų66.260%0.60434%0.339SS*.  trans-50.6110.9170.3-27.736000111.1
202T69.4Low77.5Confident2 Ų263.9 Ų63.91%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-116.1128.5-169.1-62.20000110.4L181 V186 I188 G190 A200 L204 P221 I222 L223L181-T202 HydrophobicContact CD2-CG2 3.8Å; V186-T202 HydrophobicContact CG1-CG2 4.21Å; V186-T202 HydrophobicContact CG2-CG2 4.33Å; I188-T202 CarbonylContact O-C 3.33Å; I188-T202 VanDerWaalsContact O-CA 3.26Å; I188-T202 WeakPolarHBondContact O-CA 3.28Å; G190-T202 PolarHBondContact N-OG1 3.23Å; A200-T202 PolarHBondContact O-N 2.85Å; A200-T202 PolarHBondContact O-OG1 3.25Å; T202-L204 HydrophobicContact CG2-CD2 3.92Å; T202-L204 HydrophobicContact CG2-CG 4.41Å; T202-P221 PolarHBondContact N-O 2.86Å; T202-I222 CarbonylContact O-C 3.49Å; T202-I222 WeakPolarHBondContact O-CA 3.23Å; T202-L223 PolarHBondContact O-N 2.91Å
203V83.8Confident78.1Confident25 Ų2561.7 Ų61.715%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-105.1122.5171.9-179.70000108.7A187 I188 V205 L223 I225A187-V203 PolarHBondContact N-O 2.77Å; I188-V203 HydrophobicContact CB-CB 4.04Å; I188-V203 HydrophobicContact CB-CG2 4.11Å; I188-V203 HydrophobicContact CD1-CB 4.44Å; I188-V203 HydrophobicContact CD1-CG2 4.12Å; I188-V203 HydrophobicContact CG1-CB 4.34Å; I188-V203 HydrophobicContact CG1-CG2 4.44Å; I188-V203 PolarHBondContact N-O 3.18Å; I188-V203 PolarHBondContact O-N 2.85Å; V203-V205 HydrophobicContact CG1-CG1 4.36Å; V203-L223 WeakPolarHBondContact CA-O 3.29Å; V203-I225 HydrophobicContact CG1-CD1 3.53Å; V203-I225 HydrophobicContact CG1-CG1 3.97Å
204L89.3Confident79.4Confident0 Ų059.9 Ų59.90%031%0.308CS..EExtended strand (participates in β ladder)trans-100.8135.7172.9-58.2-178.8000109.5L180 R185 V186 T202 V207 V213 I222 L223 P224 I225L180-L204 WeakPolarHBondContact O-CD1 3.37Å; R185-L204 WeakPolarHBondContact O-CA 3.41Å; V186-L204 HydrophobicContact CB-CD2 4.41Å; V186-L204 HydrophobicContact CG2-CD2 3.7Å; T202-L204 HydrophobicContact CG2-CD2 3.92Å; T202-L204 HydrophobicContact CG2-CG 4.41Å; L204-V207 HydrophobicContact CB-CG2 3.57Å; L204-V213 HydrophobicContact CD1-CG1 4.49Å; L204-V213 HydrophobicContact CD1-CG2 4.27Å; L204-I222 HydrophobicContact CD1-CG2 3.71Å; L204-I222 HydrophobicContact CG-CG2 3.94Å; L204-L223 PolarHBondContact N-O 2.91Å; L204-P224 CarbonylContact O-C 3.57Å; L204-P224 WeakPolarHBondContact O-CA 3.35Å; L204-I225 PolarHBondContact O-N 2.77Å
205V92.2Very high80.2Confident23 Ų2361.8 Ų61.814%0.13932%0.317CS..EExtended strand (participates in β ladder)trans-124.2168.6173.6-60.50000109.8R185 A187 V203 V207 I225R185-V205 HydrophobicContact CB-CG2 4.18Å; R185-V205 VanDerWaalsContact CZ-CG2 3.41Å; R185-V205 PolarHBondContact N-O 2.81Å; R185-V205 PolarHBondContact O-N 2.92Å; A187-V205 HydrophobicContact CB-CG1 3.85Å; A187-V205 HydrophobicContact CB-CG2 3.93Å; V203-V205 HydrophobicContact CG1-CG1 4.36Å; V205-V207 PolarHBondContact O-N 3.17Å; V205-I225 HydrophobicContact CG1-CB 4.36Å; V205-I225 HydrophobicContact CG1-CD1 4.35Å
206D90.1Very high81.3Confident94 Ų9461.3 Ų61.350%0.50330%0.304SS..SBendtrans59.620.5-175.3-44.6-36.5000113.4R185 Q208R185-D206 IonicContact CZ-OD2 3.9Å; R185-D206 IonicContact NE-OD2 2.8Å; R185-D206 PolarHBondContact NE-OD2 3.16Å; R185-D206 IonicContact NH2-OD1 3.5Å; R185-D206 IonicContact NH2-OD2 3.87Å; R185-D206 PolarHBondContact NH2-OD2 2.98Å; D206-Q208 PolarHBondContact O-NE2 2.83Å
207V90.3Very high82.4Confident9 Ų964.4 Ų64.46%0.05532%0.316CS..  trans-68.5128.2-177.6-178.70000110.1L204 V205 E211 V213 M214 P224L204-V207 HydrophobicContact CB-CG2 3.57Å; V205-V207 PolarHBondContact O-N 3.17Å; V207-E211 HydrophobicContact CG1-CB 4.38Å; V207-V213 HydrophobicContact CG1-CG1 3.58Å; V207-M214 HydrophobicContact CG1-CG 3.5Å; V207-M214 VanDerWaalsContact CG1-CG 3.5Å; V207-M214 HydrophobicContact CG1-SD 4.07Å; V207-P224 HydrophobicContact CB-CB 4.34Å; V207-P224 HydrophobicContact CG1-CB 4.17Å; V207-P224 HydrophobicContact CG2-CB 3.9Å
208Q89.6Confident83.3Confident125 Ų12559.9 Ų59.958%0.58430%0.301SS*.  trans-85.6147.7176.8-54.6-57.1-61.600111D206 M210 E211D206-Q208 PolarHBondContact O-NE2 2.83Å; Q208-M210 PolarHBondContact O-N 2.88Å; Q208-M210 VanDerWaalsContact O-N 3.14Å; Q208-E211 HydrophobicContact CB-CG 4.03Å; Q208-E211 WeakPolarHBondContact O-CB 3.49Å; Q208-E211 PolarHBondContact O-N 2.99Å; Q208-E211 VanDerWaalsContact O-N 3.09Å
209E87.8Confident84.3Confident61 Ų6158.2 Ų58.229%0.28530%0.296SS..THydrogen-bonded Turntrans-57.7-31.6-176.8172.4157.3-149.900113.9M214 Q215 F237 R240 R241E209-M214 WeakPolarHBondContact O-CB 3.38Å; E209-Q215 PolarHBondContact O-NE2 3.33Å; E209-F237 HydrophobicContact CG-CE2 4.39Å; E209-R240 VanDerWaalsContact CD-NH2 3.35Å; E209-R240 IonicContact OE1-CZ 2.74Å; E209-R240 IonicContact OE1-NE 3.14Å; E209-R240 PolarHBondContact OE1-NE 3.46Å; E209-R240 IonicContact OE1-NH2 2.72Å; E209-R240 PolarHBondContact OE1-NH2 3.15Å; E209-R240 IonicContact OE2-CZ 3.14Å; E209-R240 IonicContact OE2-NE 2.7Å; E209-R240 IonicContact OE2-NH2 3.59Å; E209-R240 PolarHBondContact OE2-NH2 3.36Å; E209-R241 VanDerWaalsContact CG-NH2 3.34Å; E209-R241 IonicContact OE1-CZ 2.7Å; E209-R241 VanDerWaalsContact OE1-CZ 3.22Å; E209-R241 IonicContact OE1-NH1 3.84Å; E209-R241 PolarHBondContact OE1-NH1 2.78Å; E209-R241 IonicContact OE1-NH2 3.64Å; E209-R241 PolarHBondContact OE1-NH2 3.21Å
210M90.3Very high85Confident146 Ų14659.2 Ų59.272%0.71931%0.309SS*.THydrogen-bonded Turntrans-88.7-1-177.9-59.7-56.9-63.200114.1Q208Q208-M210 PolarHBondContact O-N 2.88Å; Q208-M210 VanDerWaalsContact O-N 3.14Å
211E90.8Very high85.6Confident69 Ų6961.6 Ų61.632%0.32232%0.324SS..SBendtrans-67.4143.5176.3-75.5-70.5158.100111.4C183 V207 Q208 V213 M214 Q215C183-E211 WeakPolarHBondContact CA-OE2 3.44Å; C183-E211 HydrophobicContact CB-CB 3.97Å; C183-E211 HydrophobicContact CB-CG 4.32Å; C183-E211 PolarHBondContact SG-OE2 3.11Å; V207-E211 HydrophobicContact CG1-CB 4.38Å; Q208-E211 HydrophobicContact CB-CG 4.03Å; Q208-E211 WeakPolarHBondContact O-CB 3.49Å; Q208-E211 PolarHBondContact O-N 2.99Å; Q208-E211 VanDerWaalsContact O-N 3.09Å; E211-V213 HydrophobicContact CB-CG1 4.25Å; E211-V213 PolarHBondContact O-N 3.03Å; E211-M214 WeakPolarHBondContact O-CA 3.37Å; E211-M214 WeakPolarHBondContact O-CB 3.37Å; E211-M214 PolarHBondContact O-N 3.08Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 3.01Å
212P90.1Very high85.9Confident68 Ų6857.7 Ų57.744%0.44230%0.298SS..G310 helixtrans-46.9-39.1178.5-32.435.3000115.1L180 M214 Q215 E216L180-P212 HydrophobicContact CD2-CB 3.94Å; P212-M214 PolarHBondContact O-N 3.09Å; P212-M214 VanDerWaalsContact O-N 3.08Å; P212-Q215 PolarHBondContact O-N 2.77Å; P212-E216 PolarHBondContact O-N 2.89Å
213V89.1Confident86.8Confident3 Ų362.7 Ų62.72%0.01832%0.324CS..G310 helixtrans-62-16.5178.376.50000114.3L180 C183 L204 V207 E211 I218 I222 P224L180-V213 HydrophobicContact CB-CB 4.28Å; L180-V213 HydrophobicContact CB-CG2 4.1Å; L180-V213 HydrophobicContact CD1-CG2 4.37Å; L180-V213 HydrophobicContact CD2-CB 4.32Å; C183-V213 HydrophobicContact CB-CB 3.76Å; C183-V213 HydrophobicContact CB-CG1 3.47Å; C183-V213 VanDerWaalsContact CB-CG1 3.47Å; L204-V213 HydrophobicContact CD1-CG1 4.49Å; L204-V213 HydrophobicContact CD1-CG2 4.27Å; V207-V213 HydrophobicContact CG1-CG1 3.58Å; E211-V213 HydrophobicContact CB-CG1 4.25Å; E211-V213 PolarHBondContact O-N 3.03Å; V213-I218 HydrophobicContact CG2-CD1 3.77Å; V213-I218 HydrophobicContact CG2-CG1 4.07Å; V213-I222 HydrophobicContact CG2-CG2 4.2Å; V213-P224 HydrophobicContact CG1-CB 4.39Å; V213-P224 HydrophobicContact CG2-CG 4.3Å
214M93.4Very high87.2Confident35 Ų3562.7 Ų62.717%0.17233%0.325CS..G310 helixtrans-106.8-2.9176.6-64.4-56.7-55.300113.6V207 E209 E211 P212 P224 V226 F237V207-M214 HydrophobicContact CG1-CG 3.5Å; V207-M214 VanDerWaalsContact CG1-CG 3.5Å; V207-M214 HydrophobicContact CG1-SD 4.07Å; E209-M214 WeakPolarHBondContact O-CB 3.38Å; E211-M214 WeakPolarHBondContact O-CA 3.37Å; E211-M214 WeakPolarHBondContact O-CB 3.37Å; E211-M214 PolarHBondContact O-N 3.08Å; P212-M214 PolarHBondContact O-N 3.09Å; P212-M214 VanDerWaalsContact O-N 3.08Å; M214-P224 HydrophobicContact SD-CB 3.76Å; M214-P224 HydrophobicContact SD-CG 3.6Å; M214-V226 HydrophobicContact CE-CG2 3.7Å; M214-V226 HydrophobicContact SD-CG2 3.9Å; M214-F237 HydrophobicContact CE-CE1 4.33Å; M214-F237 HydrophobicContact CE-CZ 3.86Å
215Q90.3Very high87.4Confident111 Ų11166.2 Ų66.252%0.51934%0.343SS..THydrogen-bonded Turntrans-109.7-21.6-175.1-63.7-65.2-52.400113.3E209 E211 P212E209-Q215 PolarHBondContact O-NE2 3.33Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 3.01Å; P212-Q215 PolarHBondContact O-N 2.77Å
216E86.6Confident87.4Confident86 Ų8667.5 Ų67.540%0.40235%0.35SS..SBendtrans-122.9161.3173.361.2170.7-138.700112.6R176 P212 I218R176-E216 VanDerWaalsContact CD-OE1 3.24Å; R176-E216 WeakPolarHBondContact CD-OE1 3.2Å; R176-E216 WeakPolarHBondContact CG-OE1 3.32Å; R176-E216 IonicContact CZ-OE1 2.67Å; R176-E216 IonicContact NE-OE1 2.79Å; R176-E216 IonicContact NH1-OE1 3.15Å; R176-E216 PolarHBondContact NH1-OE1 2.79Å; P212-E216 PolarHBondContact O-N 2.89Å; E216-I218 PolarHBondContact O-N 3.42Å
217E86.3Confident87.6Confident148 Ų14869.3 Ų69.369%0.69236%0.36SS*.  trans-67.4119172.6-172.1177.4-161.700109.9R176 F219R176-E217 PolarHBondContact NH1-O 3.09Å; E217-F219 HydrophobicContact CG-CB 4.35Å; E217-F219 HydrophobicContact CG-CD2 4.26Å
218I84.8Confident87.8Confident27 Ų2771.6 Ų71.614%0.13837%0.374CS..  trans-61.3-54.2-176.5-57.4176.6000110.2R176 L177 L180 V213 E216 G220 I222 P224R176-I218 PolarHBondContact NH1-O 3.14Å; R176-I218 PolarHBondContact NH2-O 3.44Å; L177-I218 HydrophobicContact CD2-CG2 4.1Å; L177-I218 WeakPolarHBondContact CD2-O 3.4Å; L180-I218 HydrophobicContact CD1-CG2 4.33Å; V213-I218 HydrophobicContact CG2-CD1 3.77Å; V213-I218 HydrophobicContact CG2-CG1 4.07Å; E216-I218 PolarHBondContact O-N 3.42Å; I218-G220 VanDerWaalsContact C-N 3.27Å; I218-G220 PolarHBondContact O-N 3.01Å; I218-I222 WeakPolarHBondContact CD1-O 3.41Å; I218-I222 HydrophobicContact CG2-CB 3.91Å; I218-P224 HydrophobicContact CD1-CG 3.73Å
219F80.9Confident88.1Confident81 Ų8174.7 Ų74.736%0.35539%0.389SS..  trans52.342.7179.5-142.1-98.2000113.7W114 N115 E217W114-F219 AromaticContact CE2-CE1 3.75Å; W114-F219 AromaticContact CH2-CD1 3.75Å; W114-F219 HydrophobicContact CH2-CD1 3.75Å; W114-F219 AromaticContact CH2-CE1 3.66Å; W114-F219 HydrophobicContact CH2-CE1 3.66Å; W114-F219 AromaticContact CZ2-CD1 3.45Å; W114-F219 HydrophobicContact CZ2-CD1 3.45Å; W114-F219 VanDerWaalsContact CZ2-CD1 3.45Å; W114-F219 AromaticContact CZ2-CE1 3.3Å; W114-F219 HydrophobicContact CZ2-CE1 3.3Å; W114-F219 HydrophobicContact CZ3-CE1 4.39Å; N115-F219 HydrophobicContact CB-CE1 3.91Å; N115-F219 HydrophobicContact CB-CZ 3.94Å; N115-F219 WeakPolarHBondContact ND2-CZ 3.38Å; E217-F219 HydrophobicContact CG-CB 4.35Å; E217-F219 HydrophobicContact CG-CD2 4.26Å
220G75.3Confident88.5Confident33 Ų3374.3 Ų74.334%0.3439%0.393SS..SBendtrans-169.1-178.8-178.800000111.9I218 I222I218-G220 VanDerWaalsContact C-N 3.27Å; I218-G220 PolarHBondContact O-N 3.01Å; G220-I222 PolarHBondContact O-N 3.12Å
221P75.9Confident88.9Confident55 Ų5569.5 Ų69.536%0.35737%0.37SS..SBendtrans-81.943.8-16735.2-37.6000113.5I199 T202I199-P221 HydrophobicContact CB-CG 3.85Å; I199-P221 HydrophobicContact CG2-CG 4.02Å; I199-P221 WeakPolarHBondContact O-CG 3.4Å; T202-P221 PolarHBondContact N-O 2.86Å
222I78.1Confident89.2Confident10 Ų1070.4 Ų70.45%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-122.3124.7179.9-55.1171.5000108.4L177 L180 L181 T202 L204 V213 I218 G220L177-I222 HydrophobicContact CD2-CD1 4.49Å; L177-I222 WeakPolarHBondContact O-CD1 3.4Å; L180-I222 HydrophobicContact CB-CD1 3.98Å; L181-I222 HydrophobicContact CD2-CD1 3.59Å; L181-I222 HydrophobicContact CD2-CG1 3.85Å; L181-I222 HydrophobicContact CG-CD1 4.07Å; T202-I222 CarbonylContact O-C 3.49Å; T202-I222 WeakPolarHBondContact O-CA 3.23Å; L204-I222 HydrophobicContact CD1-CG2 3.71Å; L204-I222 HydrophobicContact CG-CG2 3.94Å; V213-I222 HydrophobicContact CG2-CG2 4.2Å; I218-I222 WeakPolarHBondContact CD1-O 3.41Å; I218-I222 HydrophobicContact CG2-CB 3.91Å; G220-I222 PolarHBondContact O-N 3.12Å
223L88.5Confident89.6Confident107 Ų10769.8 Ų69.856%0.5637%0.368SS*.EExtended strand (participates in β ladder)trans-120.398.3-178.5-178.763.5000109.9T202 V203 L204T202-L223 PolarHBondContact O-N 2.91Å; V203-L223 WeakPolarHBondContact CA-O 3.29Å; L204-L223 PolarHBondContact N-O 2.91Å
224P92.3Very high90Very high25 Ų2570.9 Ų70.916%0.16238%0.377CS..EExtended strand (participates in β ladder)trans-73.9137.1170.731.1-34.6000110.6L204 V207 V213 M214 I218L204-P224 CarbonylContact O-C 3.57Å; L204-P224 WeakPolarHBondContact O-CA 3.35Å; V207-P224 HydrophobicContact CB-CB 4.34Å; V207-P224 HydrophobicContact CG1-CB 4.17Å; V207-P224 HydrophobicContact CG2-CB 3.9Å; V213-P224 HydrophobicContact CG1-CB 4.39Å; V213-P224 HydrophobicContact CG2-CG 4.3Å; M214-P224 HydrophobicContact SD-CB 3.76Å; M214-P224 HydrophobicContact SD-CG 3.6Å; I218-P224 HydrophobicContact CD1-CG 3.73Å
225I92.3Very high90.2Very high74 Ų7469.8 Ų69.838%0.37937%0.372SS..  trans-106.5120171-61178.9000108V203 L204 V205V203-I225 HydrophobicContact CG1-CD1 3.53Å; V203-I225 HydrophobicContact CG1-CG1 3.97Å; L204-I225 PolarHBondContact O-N 2.77Å; V205-I225 HydrophobicContact CG1-CB 4.36Å; V205-I225 HydrophobicContact CG1-CD1 4.35Å
226V93.7Very high90.6Very high50 Ų5070.6 Ų70.630%0.30338%0.376SS..  trans-107.7120.6171179.20000108.2M214 F237M214-V226 HydrophobicContact CE-CG2 3.7Å; M214-V226 HydrophobicContact SD-CG2 3.9Å; V226-F237 HydrophobicContact CG1-CE2 4.09Å; V226-F237 HydrophobicContact CG1-CZ 4.38Å
227N93.2Very high91.1Very high132 Ų13268 Ų6871%0.70636%0.363SS*.  trans-81.3134.7175.4-71.568.1000110.2
228V94.6Very high91.6Very high58 Ų5862.9 Ų62.935%0.35234%0.34SS..  trans-121.5152.1171.1-66.40000109.3E233 A234V228-E233 HydrophobicContact CB-CB 4.34Å; V228-E233 HydrophobicContact CB-CG 4.08Å; V228-E233 HydrophobicContact CG1-CG 4.06Å; V228-A234 HydrophobicContact CG2-CB 3.96Å
229Q95.1Very high92.2Very high189 Ų18965.7 Ų65.788%0.88336%0.355SS*.SBendtrans-83.5-22.2-176.7-50.5-176.610.100112.3E233Q229-E233 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E233 VanDerWaalsContact CB-OE2 3.27Å; Q229-E233 WeakPolarHBondContact CB-OE2 3.3Å; Q229-E233 PolarHBondContact N-OE2 2.91Å
230S97.8Very high93Very high53 Ų5367.5 Ų67.537%0.37136%0.36SS..SBendtrans-149.8165.6-177.4720000113.9D232 E233 A234S230-D232 VanDerWaalsContact C-N 3.28Å; S230-D232 PolarHBondContact O-N 2.92Å; S230-D232 PolarHBondContact OG-N 2.92Å; S230-E233 WeakPolarHBondContact OG-CB 3.22Å; S230-E233 PolarHBondContact OG-N 3.05Å; S230-E233 VanDerWaalsContact OG-N 3.08Å; S230-A234 PolarHBondContact O-N 2.8Å; S230-A234 VanDerWaalsContact O-N 3.13Å
231L97.4Very high93.9Very high45 Ų4569.4 Ų69.424%0.23636%0.357CS..Hα-helixtrans-63.6-34.7170.6178.261.1000112.2A234 I235 V256 R259 V260L231-A234 WeakPolarHBondContact O-CB 3.37Å; L231-A234 PolarHBondContact O-N 2.71Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.38Å; L231-I235 HydrophobicContact CG-CD1 3.93Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 3.06Å; L231-V256 HydrophobicContact CD1-CG1 4Å; L231-V256 HydrophobicContact CD2-CB 4.39Å; L231-V256 HydrophobicContact CD2-CG1 4.02Å; L231-V256 HydrophobicContact CD2-CG2 4.23Å; L231-R259 HydrophobicContact CD2-CB 4.16Å; L231-V260 HydrophobicContact CD1-CG2 3.7Å
232D98.3Very high94.9Very high88 Ų8873.3 Ų73.347%0.47137%0.37SS..Hα-helixtrans-68.6-42.5-178.4-59.3-33.9000110.2S230 A234 I235 E236 R259S230-D232 VanDerWaalsContact C-N 3.28Å; S230-D232 PolarHBondContact O-N 2.92Å; S230-D232 PolarHBondContact OG-N 2.92Å; D232-A234 PolarHBondContact O-N 2.91Å; D232-I235 PolarHBondContact O-N 3.27Å; D232-E236 WeakPolarHBondContact O-CB 3.41Å; D232-E236 PolarHBondContact O-N 3.29Å; D232-R259 IonicContact OD1-CZ 3.78Å; D232-R259 VanDerWaalsContact OD1-CZ 3.28Å; D232-R259 IonicContact OD1-NH1 3.75Å; D232-R259 PolarHBondContact OD1-NH1 3.33Å; D232-R259 VanDerWaalsContact OD1-NH1 3.08Å; D232-R259 IonicContact OD1-NH2 2.91Å; D232-R259 PolarHBondContact OD1-NH2 3.26Å
233E97.8Very high95.8Very high56 Ų5676.9 Ų76.926%0.26239%0.386SS..Hα-helixtrans-62.2-39.8172.2-174.6-174.1172.600112.2V228 Q229 S230 I235 E236 F237V228-E233 HydrophobicContact CB-CB 4.34Å; V228-E233 HydrophobicContact CB-CG 4.08Å; V228-E233 HydrophobicContact CG1-CG 4.06Å; Q229-E233 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E233 VanDerWaalsContact CB-OE2 3.27Å; Q229-E233 WeakPolarHBondContact CB-OE2 3.3Å; Q229-E233 PolarHBondContact N-OE2 2.91Å; S230-E233 WeakPolarHBondContact OG-CB 3.22Å; S230-E233 PolarHBondContact OG-N 3.05Å; S230-E233 VanDerWaalsContact OG-N 3.08Å; E233-I235 VanDerWaalsContact C-N 3.34Å; E233-I235 PolarHBondContact O-N 3.26Å; E233-E236 PolarHBondContact O-N 2.76Å; E233-F237 VanDerWaalsContact O-CB 3.22Å; E233-F237 WeakPolarHBondContact O-CB 3.43Å; E233-F237 PolarHBondContact O-N 3.43Å
234A97.4Very high96.2Very high26 Ų2674 Ų7422%0.21537%0.373CS..Hα-helixtrans-59.8-44.617400000112V228 S230 L231 D232 F237 I238V228-A234 HydrophobicContact CG2-CB 3.96Å; S230-A234 PolarHBondContact O-N 2.8Å; S230-A234 VanDerWaalsContact O-N 3.13Å; L231-A234 WeakPolarHBondContact O-CB 3.37Å; L231-A234 PolarHBondContact O-N 2.71Å; D232-A234 PolarHBondContact O-N 2.91Å; A234-F237 PolarHBondContact O-N 2.88Å; A234-I238 WeakPolarHBondContact O-CD1 3.3Å; A234-I238 VanDerWaalsContact O-CG1 3.28Å; A234-I238 WeakPolarHBondContact O-CG1 3.38Å; A234-I238 PolarHBondContact O-N 2.64Å; A234-I238 VanDerWaalsContact O-N 3.07Å
235I98.3Very high96.4Very high12 Ų1276.3 Ų76.36%0.06238%0.384CS..Hα-helixtrans-68-40.6179.8-70.7167.7000110.4L231 D232 E233 I238 N239 V260 Q263 T264L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.38Å; L231-I235 HydrophobicContact CG-CD1 3.93Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 3.06Å; D232-I235 PolarHBondContact O-N 3.27Å; E233-I235 VanDerWaalsContact C-N 3.34Å; E233-I235 PolarHBondContact O-N 3.26Å; I235-I238 PolarHBondContact O-N 3.17Å; I235-N239 WeakPolarHBondContact CG2-ND2 3.28Å; I235-N239 VanDerWaalsContact O-CB 3.32Å; I235-N239 WeakPolarHBondContact O-CB 3.22Å; I235-N239 VanDerWaalsContact O-CG 3.26Å; I235-N239 PolarHBondContact O-N 3.01Å; I235-N239 PolarHBondContact O-ND2 2.94Å; I235-V260 HydrophobicContact CG1-CG2 4.49Å; I235-Q263 HydrophobicContact CD1-CB 4.24Å; I235-Q263 HydrophobicContact CG2-CB 3.85Å; I235-T264 HydrophobicContact CG1-CG2 4.43Å; I235-T264 HydrophobicContact CG2-CG2 4.17Å
236E97.9Very high96.6Very high128 Ų12874.1 Ų74.160%0.59838%0.377SS*.Hα-helixtrans-64.6-41.7173.4-174.3174.5-174.800112.2D232 E233 I238 N239 R240D232-E236 WeakPolarHBondContact O-CB 3.41Å; D232-E236 PolarHBondContact O-N 3.29Å; E233-E236 PolarHBondContact O-N 2.76Å; E236-I238 VanDerWaalsContact C-N 3.31Å; E236-I238 PolarHBondContact O-N 3.46Å; E236-N239 PolarHBondContact O-N 2.87Å; E236-R240 WeakPolarHBondContact O-CG 3.16Å; E236-R240 PolarHBondContact O-N 3.07Å
237F96.6Very high96.8Very high30 Ų3072.8 Ų72.813%0.13237%0.368CS..Hα-helixtrans-59.3-39.7176.1-175.3-79000112.6E209 M214 V226 E233 A234 R240 R241E209-F237 HydrophobicContact CG-CE2 4.39Å; M214-F237 HydrophobicContact CE-CE1 4.33Å; M214-F237 HydrophobicContact CE-CZ 3.86Å; V226-F237 HydrophobicContact CG1-CE2 4.09Å; V226-F237 HydrophobicContact CG1-CZ 4.38Å; E233-F237 VanDerWaalsContact O-CB 3.22Å; E233-F237 WeakPolarHBondContact O-CB 3.43Å; E233-F237 PolarHBondContact O-N 3.43Å; A234-F237 PolarHBondContact O-N 2.88Å; F237-R240 VanDerWaalsContact CD2-NH2 3.28Å; F237-R240 WeakPolarHBondContact O-CG 3.36Å; F237-R241 VanDerWaalsContact CE1-CZ 3.47Å; F237-R241 VanDerWaalsContact CZ-NH1 3.32Å; F237-R241 PolarHBondContact O-NH1 3.46Å
238I97.4Very high97Very high42 Ų4271 Ų7122%0.21535%0.352CS..Hα-helixtrans-70.7-48.6174.5-66.9159.9000110.3A234 I235 E236 R240 R241 L247 T264A234-I238 WeakPolarHBondContact O-CD1 3.3Å; A234-I238 VanDerWaalsContact O-CG1 3.28Å; A234-I238 WeakPolarHBondContact O-CG1 3.38Å; A234-I238 PolarHBondContact O-N 2.64Å; A234-I238 VanDerWaalsContact O-N 3.07Å; I235-I238 PolarHBondContact O-N 3.17Å; E236-I238 VanDerWaalsContact C-N 3.31Å; E236-I238 PolarHBondContact O-N 3.46Å; I238-R240 VanDerWaalsContact C-N 3.32Å; I238-R240 PolarHBondContact O-N 3.3Å; I238-R241 WeakPolarHBondContact O-CB 3.38Å; I238-R241 PolarHBondContact O-N 3.36Å; I238-R241 VanDerWaalsContact O-N 3.15Å; I238-L247 HydrophobicContact CD1-CD1 3.92Å; I238-L247 HydrophobicContact CD1-CD2 4.47Å; I238-T264 HydrophobicContact CB-CG2 4.35Å; I238-T264 HydrophobicContact CD1-CG2 4.35Å; I238-T264 HydrophobicContact CG2-CG2 3.95Å
239N97.9Very high97.1Very high85 Ų8568.8 Ų68.846%0.45534%0.34SS..Hα-helixtrans-71.8-20.5-173.4-74.3-24.9000114.4I235 E236 R241 Q263I235-N239 WeakPolarHBondContact CG2-ND2 3.28Å; I235-N239 VanDerWaalsContact O-CB 3.32Å; I235-N239 WeakPolarHBondContact O-CB 3.22Å; I235-N239 VanDerWaalsContact O-CG 3.26Å; I235-N239 PolarHBondContact O-N 3.01Å; I235-N239 PolarHBondContact O-ND2 2.94Å; E236-N239 PolarHBondContact O-N 2.87Å; N239-R241 PolarHBondContact O-N 3Å; N239-Q263 PolarHBondContact ND2-O 3.45Å; N239-Q263 PolarHBondContact OD1-O 3.36Å
240R96.3Very high97.2Very high120 Ų12066.4 Ų66.445%0.45333%0.327SS..THydrogen-bonded Turntrans-77.50.7171.771.7174.4170.9-108.517114.3E209 E236 F237 I238E209-R240 VanDerWaalsContact CD-NH2 3.35Å; E209-R240 IonicContact OE1-CZ 2.74Å; E209-R240 IonicContact OE1-NE 3.14Å; E209-R240 PolarHBondContact OE1-NE 3.46Å; E209-R240 IonicContact OE1-NH2 2.72Å; E209-R240 PolarHBondContact OE1-NH2 3.15Å; E209-R240 IonicContact OE2-CZ 3.14Å; E209-R240 IonicContact OE2-NE 2.7Å; E209-R240 IonicContact OE2-NH2 3.59Å; E209-R240 PolarHBondContact OE2-NH2 3.36Å; E236-R240 WeakPolarHBondContact O-CG 3.16Å; E236-R240 PolarHBondContact O-N 3.07Å; F237-R240 VanDerWaalsContact CD2-NH2 3.28Å; F237-R240 WeakPolarHBondContact O-CG 3.36Å; I238-R240 VanDerWaalsContact C-N 3.32Å; I238-R240 PolarHBondContact O-N 3.3Å
241R95.3Very high97.2Very high73 Ų7365.4 Ų65.428%0.27532%0.32SS..SBendtrans-113.9167.1-179.6-71.9173.91646116.2111.8E209 F237 I238 N239E209-R241 VanDerWaalsContact CG-NH2 3.34Å; E209-R241 IonicContact OE1-CZ 2.7Å; E209-R241 VanDerWaalsContact OE1-CZ 3.22Å; E209-R241 IonicContact OE1-NH1 3.84Å; E209-R241 PolarHBondContact OE1-NH1 2.78Å; E209-R241 IonicContact OE1-NH2 3.64Å; E209-R241 PolarHBondContact OE1-NH2 3.21Å; F237-R241 VanDerWaalsContact CE1-CZ 3.47Å; F237-R241 VanDerWaalsContact CZ-NH1 3.32Å; F237-R241 PolarHBondContact O-NH1 3.46Å; I238-R241 WeakPolarHBondContact O-CB 3.38Å; I238-R241 PolarHBondContact O-N 3.36Å; I238-R241 VanDerWaalsContact O-N 3.15Å; N239-R241 PolarHBondContact O-N 3Å
242E96.6Very high97.2Very high137 Ų13771.6 Ų71.664%0.6435%0.353SS*.PPolyproline II helixtrans-59.6144167.4-78.7-57.2155.100112.1P244 A290E242-P244 WeakPolarHBondContact O-CD 3.45Å; E242-A290 HydrophobicContact CB-CB 3.94Å; E242-A290 HydrophobicContact CG-CB 3.84Å; E242-A290 WeakPolarHBondContact OE2-CB 3.47Å
243K97.8Very high97.2Very high85 Ų8569.6 Ų69.637%0.3735%0.346SS..PPolyproline II helixtrans-68.6118.4-172.5-65.7-176.4179.1-163.50111.1S265 V288 S291K243-S265 WeakPolarHBondContact CE-OG 3.29Å; K243-S265 PolarHBondContact NZ-OG 2.71Å; K243-V288 HydrophobicContact CB-CG1 4.21Å; K243-V288 WeakPolarHBondContact CB-O 3.49Å; K243-V288 HydrophobicContact CD-CG1 4.03Å; K243-V288 HydrophobicContact CD-CG2 4.35Å; K243-S291 WeakPolarHBondContact O-CB 2.88Å; K243-S291 PolarHBondContact O-OG 3.28Å
244P97.2Very high97.2Very high45 Ų4571.5 Ų71.529%0.29237%0.365SS..PPolyproline II helixtrans-74.2156.8-174.731.5-36.2000112E242 A246 S266 G267E242-P244 WeakPolarHBondContact O-CD 3.45Å; P244-A246 VanDerWaalsContact C-N 3.3Å; P244-A246 PolarHBondContact O-N 2.85Å; P244-S266 VanDerWaalsContact O-CA 3.29Å; P244-S266 WeakPolarHBondContact O-CA 3.45Å; P244-S266 WeakPolarHBondContact O-CB 3.49Å; P244-G267 PolarHBondContact O-N 2.91Å; P244-G267 VanDerWaalsContact O-N 3.07Å
245L96.5Very high97.2Very high74 Ų7477.4 Ų77.439%0.38739%0.388SS..SBendtrans-62.2-39.7174.817959.4000111.5G267 G268 F285L245-G267 CarbonylContact O-C 3.59Å; L245-G267 VanDerWaalsContact O-CA 3.23Å; L245-G267 WeakPolarHBondContact O-CA 3.27Å; L245-G267 PolarHBondContact O-N 3.39Å; L245-G268 PolarHBondContact O-N 3.25Å; L245-F285 HydrophobicContact CD2-CZ 4.03Å; L245-F285 HydrophobicContact CG-CZ 4.48Å
246A96.4Very high97.2Very high29 Ų2979.1 Ų79.124%0.2440%0.399CS..EExtended strand (participates in β ladder)trans-135.2145.4175.900000111.3P244 Y248 G268P244-A246 VanDerWaalsContact C-N 3.3Å; P244-A246 PolarHBondContact O-N 2.85Å; A246-Y248 HydrophobicContact CB-CE1 3.93Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; A246-G268 CarbonylContact C-O 3.6Å; A246-G268 VanDerWaalsContact CA-O 3.28Å; A246-G268 WeakPolarHBondContact CA-O 3.43Å
247L97.2Very high97.2Very high21 Ų2174 Ų7411%0.1138%0.377CS..EExtended strand (participates in β ladder)trans-125.7133.6170.8-178.464.5000110.3I238 V260 T264 G268 F269 C270I238-L247 HydrophobicContact CD1-CD1 3.92Å; I238-L247 HydrophobicContact CD1-CD2 4.47Å; L247-V260 HydrophobicContact CD2-CG1 3.78Å; L247-V260 HydrophobicContact CG-CG1 4.46Å; L247-T264 HydrophobicContact CD2-CG2 4.14Å; L247-T264 WeakPolarHBondContact CD2-OG1 2.85Å; L247-G268 PolarHBondContact N-O 3.49Å; L247-F269 HydrophobicContact CB-CD2 4.17Å; L247-F269 HydrophobicContact CD2-CD2 4.14Å; L247-F269 HydrophobicContact CD2-CE2 4.21Å; L247-F269 HydrophobicContact CG-CD2 4.19Å; L247-F269 HydrophobicContact CG-CE2 4.32Å; L247-F269 WeakPolarHBondContact O-CA 3.29Å; L247-C270 PolarHBondContact O-N 3.04Å
248Y97.4Very high97.3Very high96 Ų9679.2 Ų79.238%0.37640%0.399SS..EExtended strand (participates in β ladder)trans-120.5132.7-178.4-52.6-46.7000110.9A246 C270 F275A246-Y248 HydrophobicContact CB-CE1 3.93Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; Y248-C270 WeakPolarHBondContact CA-O 3.5Å; Y248-C270 HydrophobicContact CD1-CB 3.64Å; Y248-C270 HydrophobicContact CE1-CB 3.95Å; Y248-F275 PolarHBondContact OH-N 3.26Å; Y248-F275 VanDerWaalsContact OH-N 3.11Å
249A97.1Very high97.3Very high11 Ų1181.5 Ų81.59%0.09141%0.405CS..EExtended strand (participates in β ladder)trans-128.6113-179.800000110.9V260 F269 C270 G271 N272A249-V260 HydrophobicContact CB-CB 4.23Å; A249-V260 HydrophobicContact CB-CG1 4.26Å; A249-V260 HydrophobicContact CB-CG2 4.36Å; A249-F269 HydrophobicContact CB-CE2 4.04Å; A249-F269 HydrophobicContact CB-CZ 3.71Å; A249-C270 PolarHBondContact N-O 3.12Å; A249-G271 CarbonylContact O-C 3.52Å; A249-G271 WeakPolarHBondContact O-CA 3.44Å; A249-N272 PolarHBondContact O-N 3.47Å
250F97.6Very high97.3Very high139 Ų13978.1 Ų78.161%0.6139%0.388SS*.  trans-102115.1178.7-67.4-95.2000110.3N272 D273F250-N272 WeakPolarHBondContact CA-OD1 3.44Å; F250-N272 WeakPolarHBondContact CE1-O 3.33Å; F250-D273 VanDerWaalsContact CZ-C 3.5Å
251S97.3Very high97.4Very high32 Ų3276.7 Ų76.722%0.22439%0.389CS..  trans-163.4139.5175.4-172.10000111.9S253 N272S251-S253 PolarHBondContact O-N 3.44Å; S251-S253 PolarHBondContact OG-N 3.07Å; S251-S253 VanDerWaalsContact OG-N 3.08Å; S251-N272 PolarHBondContact N-OD1 3.49Å; S251-N272 PolarHBondContact O-ND2 3.04Å; S251-N272 PolarHBondContact O-OD1 3.22Å; S251-N272 VanDerWaalsContact O-OD1 3.09Å
252N97.7Very high97.5Very high174 Ų17477.7 Ų77.793%0.9340%0.403SS*.SBendtrans-70.3-12.3167.9-67.6-22.9000112.8
253S98Very high97.6Very high46 Ų4675.4 Ų75.432%0.32239%0.392SS..  trans-93.1110.9174178.60000110.9S251 Q255 V256 V257S251-S253 PolarHBondContact O-N 3.44Å; S251-S253 PolarHBondContact OG-N 3.07Å; S251-S253 VanDerWaalsContact OG-N 3.08Å; S253-Q255 PolarHBondContact O-N 3.4Å; S253-Q255 PolarHBondContact OG-N 2.81Å; S253-V256 WeakPolarHBondContact O-CB 3.09Å; S253-V256 PolarHBondContact O-N 3.47Å; S253-V256 PolarHBondContact OG-N 3.24Å; S253-V257 PolarHBondContact O-N 3.34Å
254S97.2Very high97.7Very high96 Ų9672.3 Ų72.367%0.67138%0.381SS*.Hα-helixtrans-59.9-27.2173.759.80000112.9K258S254-K258 WeakPolarHBondContact O-CB 3.15Å; S254-K258 PolarHBondContact O-N 2.71Å
255Q97.8Very high97.7Very high150 Ų15072.3 Ų72.370%0.70138%0.382SS*.Hα-helixtrans-65.9-42173.5-64-177.3-300111.4S253 K258 R259S253-Q255 PolarHBondContact O-N 3.4Å; S253-Q255 PolarHBondContact OG-N 2.81Å; Q255-K258 PolarHBondContact O-N 2.99Å; Q255-R259 WeakPolarHBondContact O-CB 3.28Å; Q255-R259 VanDerWaalsContact O-CG 3.3Å; Q255-R259 WeakPolarHBondContact O-CG 3.43Å; Q255-R259 PolarHBondContact O-N 3.29Å
256V98.1Very high97.8Very high48 Ų4870 Ų7029%0.29137%0.371SS..Hα-helixtrans-62.9-51.2176.5171.70000110.4L231 S253 K258 R259 V260L231-V256 HydrophobicContact CD1-CG1 4Å; L231-V256 HydrophobicContact CD2-CB 4.39Å; L231-V256 HydrophobicContact CD2-CG1 4.02Å; L231-V256 HydrophobicContact CD2-CG2 4.23Å; S253-V256 WeakPolarHBondContact O-CB 3.09Å; S253-V256 PolarHBondContact O-N 3.47Å; S253-V256 PolarHBondContact OG-N 3.24Å; V256-K258 VanDerWaalsContact C-N 3.32Å; V256-K258 PolarHBondContact O-N 3.43Å; V256-R259 PolarHBondContact O-N 3.04Å; V256-R259 VanDerWaalsContact O-N 3.12Å; V256-V260 PolarHBondContact O-N 3.49Å
257V98.1Very high97.8Very high21 Ų2170 Ų7013%0.12737%0.374CS..Hα-helixtrans-57.9-44.8178.1-178.50000111.2S253 R259 V260 L261 F269S253-V257 PolarHBondContact O-N 3.34Å; V257-R259 PolarHBondContact O-N 3.13Å; V257-V260 PolarHBondContact O-N 3.38Å; V257-L261 WeakPolarHBondContact O-CB 3.38Å; V257-L261 PolarHBondContact O-N 3.32Å; V257-F269 HydrophobicContact CG1-CE1 3.84Å; V257-F269 HydrophobicContact CG1-CZ 3.91Å
258K97.9Very high97.7Very high140 Ų14069.6 Ų69.661%0.60938%0.376SS*.Hα-helixtrans-63.6-38.7176.8-175.5175.5-179.51780112.5S254 Q255 V256 L261 T262S254-K258 WeakPolarHBondContact O-CB 3.15Å; S254-K258 PolarHBondContact O-N 2.71Å; Q255-K258 PolarHBondContact O-N 2.99Å; V256-K258 VanDerWaalsContact C-N 3.32Å; V256-K258 PolarHBondContact O-N 3.43Å; K258-L261 PolarHBondContact O-N 3.2Å; K258-T262 HydrophobicContact CG-CG2 4.23Å; K258-T262 WeakPolarHBondContact O-CB 3.27Å; K258-T262 WeakPolarHBondContact O-CG2 3.41Å; K258-T262 PolarHBondContact O-N 3.01Å; K258-T262 PolarHBondContact O-OG1 3.45Å
259R98.3Very high97.7Very high90 Ų9067.3 Ų67.334%0.3437%0.368SS..Hα-helixtrans-62.2-49.7175.7-78.1-16867.7-160.1-9.6111.1L231 D232 Q255 V256 V257 L261 T262 Q263L231-R259 HydrophobicContact CD2-CB 4.16Å; D232-R259 IonicContact OD1-CZ 3.78Å; D232-R259 VanDerWaalsContact OD1-CZ 3.28Å; D232-R259 IonicContact OD1-NH1 3.75Å; D232-R259 PolarHBondContact OD1-NH1 3.33Å; D232-R259 VanDerWaalsContact OD1-NH1 3.08Å; D232-R259 IonicContact OD1-NH2 2.91Å; D232-R259 PolarHBondContact OD1-NH2 3.26Å; Q255-R259 WeakPolarHBondContact O-CB 3.28Å; Q255-R259 VanDerWaalsContact O-CG 3.3Å; Q255-R259 WeakPolarHBondContact O-CG 3.43Å; Q255-R259 PolarHBondContact O-N 3.29Å; V256-R259 PolarHBondContact O-N 3.04Å; V256-R259 VanDerWaalsContact O-N 3.12Å; V257-R259 PolarHBondContact O-N 3.13Å; R259-L261 PolarHBondContact O-N 3.48Å; R259-T262 PolarHBondContact O-N 3.42Å; R259-T262 PolarHBondContact O-OG1 3.26Å; R259-Q263 VanDerWaalsContact O-CB 3.29Å; R259-Q263 WeakPolarHBondContact O-CB 3.47Å; R259-Q263 WeakPolarHBondContact O-CG 3.22Å; R259-Q263 PolarHBondContact O-N 3.5Å
260V98.3Very high97.6Very high13 Ų1367.9 Ų67.98%0.07937%0.37CS..Hα-helixtrans-57.5-49.2176.2-175.50000110.8L231 I235 L247 A249 V256 V257 T262 Q263 T264 F269L231-V260 HydrophobicContact CD1-CG2 3.7Å; I235-V260 HydrophobicContact CG1-CG2 4.49Å; L247-V260 HydrophobicContact CD2-CG1 3.78Å; L247-V260 HydrophobicContact CG-CG1 4.46Å; A249-V260 HydrophobicContact CB-CB 4.23Å; A249-V260 HydrophobicContact CB-CG1 4.26Å; A249-V260 HydrophobicContact CB-CG2 4.36Å; V256-V260 PolarHBondContact O-N 3.49Å; V257-V260 PolarHBondContact O-N 3.38Å; V260-T262 VanDerWaalsContact C-N 3.33Å; V260-T262 PolarHBondContact O-N 3.08Å; V260-Q263 PolarHBondContact O-N 2.94Å; V260-T264 HydrophobicContact CG1-CG2 4.24Å; V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 WeakPolarHBondContact O-CG2 3.48Å; V260-T264 PolarHBondContact O-N 3.41Å; V260-T264 PolarHBondContact O-OG1 3.48Å; V260-F269 HydrophobicContact CB-CE2 4.32Å; V260-F269 HydrophobicContact CG1-CE2 3.97Å
261L97.9Very high97.5Very high91 Ų9162.8 Ų62.848%0.47636%0.358SS..Hα-helixtrans-57.1-41.8178.117360.9000113.4V257 K258 R259 F269V257-L261 WeakPolarHBondContact O-CB 3.38Å; V257-L261 PolarHBondContact O-N 3.32Å; K258-L261 PolarHBondContact O-N 3.2Å; R259-L261 PolarHBondContact O-N 3.48Å; L261-F269 HydrophobicContact CB-CD1 4.24Å; L261-F269 HydrophobicContact CB-CD2 4.42Å; L261-F269 HydrophobicContact CB-CE1 3.87Å; L261-F269 HydrophobicContact CB-CE2 4.07Å; L261-F269 HydrophobicContact CB-CG 4.5Å; L261-F269 HydrophobicContact CB-CZ 3.77Å; L261-F269 HydrophobicContact CD1-CB 3.96Å; L261-F269 HydrophobicContact CD1-CD1 3.77Å; L261-F269 HydrophobicContact CD1-CD2 4.16Å; L261-F269 HydrophobicContact CD1-CE1 4.29Å; L261-F269 HydrophobicContact CD1-CG 3.69Å; L261-F269 HydrophobicContact CD2-CD1 4.47Å; L261-F269 HydrophobicContact CD2-CE1 4.46Å; L261-F269 HydrophobicContact CG-CD1 4.37Å; L261-F269 HydrophobicContact CG-CE1 4.43Å
262T98.1Very high97.4Very high93 Ų9365.4 Ų65.457%0.57137%0.369SS*.Hα-helixtrans-85.1-18.6-175.251.70000114.2K258 R259 V260K258-T262 HydrophobicContact CG-CG2 4.23Å; K258-T262 WeakPolarHBondContact O-CB 3.27Å; K258-T262 WeakPolarHBondContact O-CG2 3.41Å; K258-T262 PolarHBondContact O-N 3.01Å; K258-T262 PolarHBondContact O-OG1 3.45Å; R259-T262 PolarHBondContact O-N 3.42Å; R259-T262 PolarHBondContact O-OG1 3.26Å; V260-T262 VanDerWaalsContact C-N 3.33Å; V260-T262 PolarHBondContact O-N 3.08Å
263Q98.5Very high97.2Very high89 Ų8960.8 Ų60.842%0.41634%0.344SS..Hα-helixtrans-112.38.6-174.3-59.6-174.3-44.900113.2I235 N239 R259 V260I235-Q263 HydrophobicContact CD1-CB 4.24Å; I235-Q263 HydrophobicContact CG2-CB 3.85Å; N239-Q263 PolarHBondContact ND2-O 3.45Å; N239-Q263 PolarHBondContact OD1-O 3.36Å; R259-Q263 VanDerWaalsContact O-CB 3.29Å; R259-Q263 WeakPolarHBondContact O-CB 3.47Å; R259-Q263 WeakPolarHBondContact O-CG 3.22Å; R259-Q263 PolarHBondContact O-N 3.5Å; V260-Q263 PolarHBondContact O-N 2.94Å
264T98.4Very high96.7Very high21 Ų2159.5 Ų59.513%0.12934%0.339CS..  trans-132.417517664.90000111.6I235 I238 L247 V260I235-T264 HydrophobicContact CG1-CG2 4.43Å; I235-T264 HydrophobicContact CG2-CG2 4.17Å; I238-T264 HydrophobicContact CB-CG2 4.35Å; I238-T264 HydrophobicContact CD1-CG2 4.35Å; I238-T264 HydrophobicContact CG2-CG2 3.95Å; L247-T264 HydrophobicContact CD2-CG2 4.14Å; L247-T264 WeakPolarHBondContact CD2-OG1 2.85Å; V260-T264 HydrophobicContact CG1-CG2 4.24Å; V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 WeakPolarHBondContact O-CG2 3.48Å; V260-T264 PolarHBondContact O-N 3.41Å; V260-T264 PolarHBondContact O-OG1 3.48Å
265S98.3Very high96Very high45 Ų4558.3 Ų58.332%0.31532%0.322SS..  trans-141.9124.5178.2-171.80000110.6K243K243-S265 WeakPolarHBondContact CE-OG 3.29Å; K243-S265 PolarHBondContact NZ-OG 2.71Å
266S98.1Very high95.5Very high24 Ų2455.4 Ų55.417%0.16831%0.309CS..  trans-147.7169-178.1500000109.9P244 G268 V288P244-S266 VanDerWaalsContact O-CA 3.29Å; P244-S266 WeakPolarHBondContact O-CA 3.45Å; P244-S266 WeakPolarHBondContact O-CB 3.49Å; S266-G268 PolarHBondContact OG-O 3.2Å; S266-V288 VanDerWaalsContact C-CG1 3.45Å; S266-V288 WeakPolarHBondContact O-CG1 3.41Å
267G96.6Very high95.1Very high29 Ų2954.2 Ų54.230%0.29930%0.3SS..SBendtrans-67.9-53.8176.100000112.6P244 L245 G286P244-G267 PolarHBondContact O-N 2.91Å; P244-G267 VanDerWaalsContact O-N 3.07Å; L245-G267 CarbonylContact O-C 3.59Å; L245-G267 VanDerWaalsContact O-CA 3.23Å; L245-G267 WeakPolarHBondContact O-CA 3.27Å; L245-G267 PolarHBondContact O-N 3.39Å; G267-G286 CarbonylContact C-O 3.49Å; G267-G286 WeakPolarHBondContact CA-O 3.34Å
268G95.8Very high94.6Very high14 Ų1454.3 Ų54.314%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-124.7150.7171.900000112.4L245 A246 L247 S266L245-G268 PolarHBondContact O-N 3.25Å; A246-G268 CarbonylContact C-O 3.6Å; A246-G268 VanDerWaalsContact CA-O 3.28Å; A246-G268 WeakPolarHBondContact CA-O 3.43Å; L247-G268 PolarHBondContact N-O 3.49Å; S266-G268 PolarHBondContact OG-O 3.2Å
269F96.8Very high94.1Very high48 Ų4850.5 Ų50.521%0.21129%0.288CS..EExtended strand (participates in β ladder)trans-125.4138.7175.7-178.9-89.4000110.4L247 A249 V257 V260 L261L247-F269 HydrophobicContact CB-CD2 4.17Å; L247-F269 HydrophobicContact CD2-CD2 4.14Å; L247-F269 HydrophobicContact CD2-CE2 4.21Å; L247-F269 HydrophobicContact CG-CD2 4.19Å; L247-F269 HydrophobicContact CG-CE2 4.32Å; L247-F269 WeakPolarHBondContact O-CA 3.29Å; A249-F269 HydrophobicContact CB-CE2 4.04Å; A249-F269 HydrophobicContact CB-CZ 3.71Å; V257-F269 HydrophobicContact CG1-CE1 3.84Å; V257-F269 HydrophobicContact CG1-CZ 3.91Å; V260-F269 HydrophobicContact CB-CE2 4.32Å; V260-F269 HydrophobicContact CG1-CE2 3.97Å; L261-F269 HydrophobicContact CB-CD1 4.24Å; L261-F269 HydrophobicContact CB-CD2 4.42Å; L261-F269 HydrophobicContact CB-CE1 3.87Å; L261-F269 HydrophobicContact CB-CE2 4.07Å; L261-F269 HydrophobicContact CB-CG 4.5Å; L261-F269 HydrophobicContact CB-CZ 3.77Å; L261-F269 HydrophobicContact CD1-CB 3.96Å; L261-F269 HydrophobicContact CD1-CD1 3.77Å; L261-F269 HydrophobicContact CD1-CD2 4.16Å; L261-F269 HydrophobicContact CD1-CE1 4.29Å; L261-F269 HydrophobicContact CD1-CG 3.69Å; L261-F269 HydrophobicContact CD2-CD1 4.47Å; L261-F269 HydrophobicContact CD2-CE1 4.46Å; L261-F269 HydrophobicContact CG-CD1 4.37Å; L261-F269 HydrophobicContact CG-CE1 4.43Å
270C95.7Very high93.8Very high22 Ų2250 Ų5015%0.14929%0.292CS..EExtended strand (participates in β ladder)trans-133.6136.4170.7-148.60000111.3L247 Y248 A249 D273L247-C270 PolarHBondContact O-N 3.04Å; Y248-C270 WeakPolarHBondContact CA-O 3.5Å; Y248-C270 HydrophobicContact CD1-CB 3.64Å; Y248-C270 HydrophobicContact CE1-CB 3.95Å; A249-C270 PolarHBondContact N-O 3.12Å; C270-D273 WeakPolarHBondContact CB-O 3.46Å
271G95.9Very high93.4Very high33 Ų3350.6 Ų50.634%0.3430%0.298SS..EExtended strand (participates in β ladder)trans-107.8128.2176.900000110A249 D273A249-G271 CarbonylContact O-C 3.52Å; A249-G271 WeakPolarHBondContact O-CA 3.44Å; G271-D273 PolarHBondContact O-N 2.99Å
272N95Very high93.2Very high86 Ų8650.6 Ų50.646%0.4631%0.306SS..SBendtrans60.714.6-178.4-62-32.6000116.2A249 F250 S251A249-N272 PolarHBondContact O-N 3.47Å; F250-N272 WeakPolarHBondContact CA-OD1 3.44Å; F250-N272 WeakPolarHBondContact CE1-O 3.33Å; S251-N272 PolarHBondContact N-OD1 3.49Å; S251-N272 PolarHBondContact O-ND2 3.04Å; S251-N272 PolarHBondContact O-OD1 3.22Å; S251-N272 VanDerWaalsContact O-OD1 3.09Å
273D92.7Very high93.1Very high77 Ų7750 Ų5041%0.41230%0.298SS..  trans-151.7168170.6-152-18.8000109.5F250 C270 G271 M276F250-D273 VanDerWaalsContact CZ-C 3.5Å; C270-D273 WeakPolarHBondContact CB-O 3.46Å; G271-D273 PolarHBondContact O-N 2.99Å; D273-M276 VanDerWaalsContact OD2-CG 3.24Å; D273-M276 WeakPolarHBondContact OD2-CG 3.48Å
274G86.7Confident93Very high20 Ų2048.3 Ų48.321%0.20630%0.295CS..SBendtrans-131.7161.6171.600000110.2M276G274-M276 PolarHBondContact O-N 2.77Å
275F83.8Confident92.9Very high71 Ų7148.8 Ų48.831%0.31130%0.296SS..SBendtrans65.6-52.9-179.6-170-88.5000114.6Y248 H277 M278 T279Y248-F275 PolarHBondContact OH-N 3.26Å; Y248-F275 VanDerWaalsContact OH-N 3.11Å; F275-H277 VanDerWaalsContact C-N 3.26Å; F275-H277 PolarHBondContact O-N 2.52Å; F275-H277 PolarHBondContact O-ND1 3.16Å; F275-H277 VanDerWaalsContact O-ND1 3.12Å; F275-M278 HydrophobicContact CD1-CG 4.27Å; F275-M278 HydrophobicContact CD1-SD 3.88Å; F275-M278 HydrophobicContact CD2-SD 3.43Å; F275-M278 WeakPolarHBondContact CD2-SD 3.21Å; F275-M278 HydrophobicContact CE1-CG 4.22Å; F275-M278 HydrophobicContact CE1-SD 3.79Å; F275-M278 HydrophobicContact CE2-CE 3.97Å; F275-M278 HydrophobicContact CE2-SD 3.35Å; F275-M278 WeakPolarHBondContact CE2-SD 3.49Å; F275-M278 HydrophobicContact CG-SD 3.7Å; F275-M278 HydrophobicContact CZ-CE 4.03Å; F275-M278 HydrophobicContact CZ-CG 4.46Å; F275-M278 HydrophobicContact CZ-SD 3.54Å; F275-M278 VanDerWaalsContact CZ-SD 3.54Å; F275-M278 VanDerWaalsContact O-CG 3.23Å; F275-M278 WeakPolarHBondContact O-CG 3.32Å; F275-M278 PolarHBondContact O-N 2.93Å; F275-T279 HydrophobicContact CE1-CG2 4.48Å
276M87.4Confident92.8Very high88 Ų8847.4 Ų47.443%0.43329%0.289SS..G310 helixtrans-47.8-33.2-167.1-69.3-54.9-6500116.7D273 G274 M278 T279D273-M276 VanDerWaalsContact OD2-CG 3.24Å; D273-M276 WeakPolarHBondContact OD2-CG 3.48Å; G274-M276 PolarHBondContact O-N 2.77Å; M276-M278 PolarHBondContact O-N 3.4Å; M276-M278 VanDerWaalsContact O-N 3.12Å; M276-T279 HydrophobicContact CE-CG2 4.38Å; M276-T279 WeakPolarHBondContact O-CB 3.48Å; M276-T279 PolarHBondContact O-N 2.94Å; M276-T279 PolarHBondContact O-OG1 3.41Å; M276-T279 HydrophobicContact SD-CG2 4.42Å
277H89.9Confident92.7Very high23 Ų2347 Ų4711%0.10629%0.289CS..G310 helixtrans-52.9-31.117574.5-64.3000114.1F275 T279 L280 L283F275-H277 VanDerWaalsContact C-N 3.26Å; F275-H277 PolarHBondContact O-N 2.52Å; F275-H277 PolarHBondContact O-ND1 3.16Å; F275-H277 VanDerWaalsContact O-ND1 3.12Å; H277-T279 VanDerWaalsContact C-N 3.28Å; H277-T279 PolarHBondContact O-N 2.92Å; H277-L280 PolarHBondContact O-N 3.4Å; H277-L283 HydrophobicContact CB-CD1 4.36Å
278M87.3Confident92.7Very high23 Ų2348 Ų4811%0.11329%0.289CS..G310 helixtrans-72-19177.777.2-162.8-82.300113.6F275 M276 L280 F285 H297F275-M278 HydrophobicContact CD1-CG 4.27Å; F275-M278 HydrophobicContact CD1-SD 3.88Å; F275-M278 HydrophobicContact CD2-SD 3.43Å; F275-M278 WeakPolarHBondContact CD2-SD 3.21Å; F275-M278 HydrophobicContact CE1-CG 4.22Å; F275-M278 HydrophobicContact CE1-SD 3.79Å; F275-M278 HydrophobicContact CE2-CE 3.97Å; F275-M278 HydrophobicContact CE2-SD 3.35Å; F275-M278 WeakPolarHBondContact CE2-SD 3.49Å; F275-M278 HydrophobicContact CG-SD 3.7Å; F275-M278 HydrophobicContact CZ-CE 4.03Å; F275-M278 HydrophobicContact CZ-CG 4.46Å; F275-M278 HydrophobicContact CZ-SD 3.54Å; F275-M278 VanDerWaalsContact CZ-SD 3.54Å; F275-M278 VanDerWaalsContact O-CG 3.23Å; F275-M278 WeakPolarHBondContact O-CG 3.32Å; F275-M278 PolarHBondContact O-N 2.93Å; M276-M278 PolarHBondContact O-N 3.4Å; M276-M278 VanDerWaalsContact O-N 3.12Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 2.07Å; M278-F285 HydrophobicContact CB-CD2 4.21Å; M278-F285 HydrophobicContact CB-CE2 4.33Å; M278-H297 PolarHBondContact O-CE1 3.23Å; M278-H297 PolarHBondContact O-ND1 2.94Å
279T86.7Confident92.7Very high61 Ų6150 Ų5037%0.37431%0.309SS..G310 helixtrans-76.4-15.7177.8700000112.6F275 M276 H277 A281F275-T279 HydrophobicContact CE1-CG2 4.48Å; M276-T279 HydrophobicContact CE-CG2 4.38Å; M276-T279 WeakPolarHBondContact O-CB 3.48Å; M276-T279 PolarHBondContact O-N 2.94Å; M276-T279 PolarHBondContact O-OG1 3.41Å; M276-T279 HydrophobicContact SD-CG2 4.42Å; H277-T279 VanDerWaalsContact C-N 3.28Å; H277-T279 PolarHBondContact O-N 2.92Å; T279-A281 PolarHBondContact O-N 3.26Å
280L91.3Very high92.6Very high79 Ų7951.1 Ų51.141%0.41433%0.327SS..  trans-88.297.2177.8-8070.2000110H277 M278 S282 L283H277-L280 PolarHBondContact O-N 3.4Å; M278-L280 VanDerWaalsContact C-N 3.27Å; M278-L280 PolarHBondContact O-N 2.07Å; L280-S282 PolarHBondContact O-N 3.32Å; L280-L283 HydrophobicContact CB-CB 4.36Å; L280-L283 HydrophobicContact CB-CD1 4.04Å; L280-L283 HydrophobicContact CB-CG 3.99Å; L280-L283 HydrophobicContact CD2-CD1 3.99Å; L280-L283 HydrophobicContact CD2-CG 4.27Å; L280-L283 PolarHBondContact O-N 2.64Å
281A91.3Very high92.5Very high26 Ų2651.8 Ų51.822%0.21533%0.332CS..THydrogen-bonded Turntrans-64.2-4174.100000114.9E70 L73 T279E70-A281 WeakPolarHBondContact OE1-CB 3.4Å; L73-A281 HydrophobicContact CD2-CB 3.51Å; T279-A281 PolarHBondContact O-N 3.26Å
282S93.6Very high92.4Very high91 Ų9151.7 Ų51.764%0.63633%0.331SS*.THydrogen-bonded Turntrans-86.2-11.8168.853.70000113.8L280 F300L280-S282 PolarHBondContact O-N 3.32Å; S282-F300 WeakPolarHBondContact O-CE2 3.4Å
283L95.6Very high92.5Very high79 Ų7956.3 Ų56.341%0.41435%0.352SS..SBendtrans-98.3139.8170-63.7-179.9000109.6H277 L280H277-L283 HydrophobicContact CB-CD1 4.36Å; L280-L283 HydrophobicContact CB-CB 4.36Å; L280-L283 HydrophobicContact CB-CD1 4.04Å; L280-L283 HydrophobicContact CB-CG 3.99Å; L280-L283 HydrophobicContact CD2-CD1 3.99Å; L280-L283 HydrophobicContact CD2-CG 4.27Å; L280-L283 PolarHBondContact O-N 2.64Å
284P96.1Very high92.6Very high54 Ų5455.3 Ų55.335%0.35136%0.359SS..PPolyproline II helixtrans-72.1131171.728.3-30.7000110.1R295 F300P284-R295 HydrophobicContact CB-CB 3.9Å; P284-R295 HydrophobicContact CB-CG 3.89Å; P284-F300 HydrophobicContact CB-CD1 4.04Å; P284-F300 HydrophobicContact CB-CD2 3.85Å; P284-F300 HydrophobicContact CB-CE1 4.13Å; P284-F300 HydrophobicContact CB-CE2 3.96Å; P284-F300 HydrophobicContact CB-CG 3.9Å; P284-F300 HydrophobicContact CB-CZ 4.09Å; P284-F300 HydrophobicContact CG-CE1 4.39Å; P284-F300 HydrophobicContact CG-CE2 4.32Å; P284-F300 HydrophobicContact CG-CZ 4.16Å; P284-F300 VanDerWaalsContact N-CE2 3.34Å
285F96.1Very high93.1Very high31 Ų3161.3 Ų61.314%0.13638%0.376CS..BIsolated β-bridgetrans-103.3124.9171.1-177.3-111.5000110.2L245 M278 R295 Y296 H297L245-F285 HydrophobicContact CD2-CZ 4.03Å; L245-F285 HydrophobicContact CG-CZ 4.48Å; M278-F285 HydrophobicContact CB-CD2 4.21Å; M278-F285 HydrophobicContact CB-CE2 4.33Å; F285-R295 CarbonylContact O-C 3.56Å; F285-R295 WeakPolarHBondContact O-CA 3.45Å; F285-Y296 HydrophobicContact CD1-CD1 4.4Å; F285-Y296 AromaticContact CD1-CE1 3.54Å; F285-Y296 HydrophobicContact CD1-CE1 3.54Å; F285-Y296 AromaticContact CD1-CZ 3.71Å; F285-Y296 HydrophobicContact CE1-CE1 4.13Å; F285-Y296 PolarHBondContact N-O 3.21Å; F285-Y296 WeakPolarHBondContact O-CD1 3.48Å; F285-Y296 PolarHBondContact O-N 2.7Å; F285-H297 AromaticContact CD1-NE2 3.79Å; F285-H297 AromaticContact CG-CE1 3.89Å
286G96Very high93.8Very high17 Ų1760 Ų6018%0.17537%0.369CS..  trans174.3160.4-176.100000112.1G267G267-G286 CarbonylContact C-O 3.49Å; G267-G286 WeakPolarHBondContact CA-O 3.34Å
287G95.8Very high94.2Very high16 Ų1656 Ų5617%0.16535%0.35CS..  trans-90.7179.8-179.800000114.4G292G287-G292 CarbonylContact C-O 3.58Å
288V96.7Very high94.5Very high50 Ų5055 Ų5530%0.30335%0.345SS..  trans-146.5132.1172.460.70000110.2K243 S266 S291 G292K243-V288 HydrophobicContact CB-CG1 4.21Å; K243-V288 WeakPolarHBondContact CB-O 3.49Å; K243-V288 HydrophobicContact CD-CG1 4.03Å; K243-V288 HydrophobicContact CD-CG2 4.35Å; S266-V288 VanDerWaalsContact C-CG1 3.45Å; S266-V288 WeakPolarHBondContact O-CG1 3.41Å; V288-S291 PolarHBondContact N-OG 3.5Å; V288-S291 PolarHBondContact O-OG 2.89Å; V288-G292 CarbonylContact C-O 3.57Å; V288-G292 VanDerWaalsContact CA-O 3.28Å; V288-G292 WeakPolarHBondContact CA-O 3.45Å; V288-G292 PolarHBondContact N-O 2.74Å
289G96.7Very high95Very high54 Ų5456.8 Ų56.856%0.55735%0.352SS*.G310 helixtrans70.6-134-174.400000110.8S291 G292G289-S291 PolarHBondContact O-N 2.8Å; G289-G292 PolarHBondContact N-O 2.68Å; G289-G292 PolarHBondContact O-N 3.39Å
290A93.9Very high95.5Very high73 Ų7356.1 Ų56.160%0.60334%0.344SS*.G310 helixtrans-62.5-25.6-179.400000114.3E242 G292E242-A290 HydrophobicContact CB-CB 3.94Å; E242-A290 HydrophobicContact CG-CB 3.84Å; E242-A290 WeakPolarHBondContact OE2-CB 3.47Å; A290-G292 PolarHBondContact O-N 3.12Å
291S93.8Very high95.9Very high36 Ų3652.4 Ų52.425%0.25233%0.325SS..G310 helixtrans-73.8-7.1174.155.10000114.4K243 V288 G289K243-S291 WeakPolarHBondContact O-CB 2.88Å; K243-S291 PolarHBondContact O-OG 3.28Å; V288-S291 PolarHBondContact N-OG 3.5Å; V288-S291 PolarHBondContact O-OG 2.89Å; G289-S291 PolarHBondContact O-N 2.8Å
292G94.7Very high96.2Very high30 Ų3051.2 Ų51.231%0.30932%0.315SS..  trans133.3-171.7170.800000114.9G287 V288 G289 A290G287-G292 CarbonylContact C-O 3.58Å; V288-G292 CarbonylContact C-O 3.57Å; V288-G292 VanDerWaalsContact CA-O 3.28Å; V288-G292 WeakPolarHBondContact CA-O 3.45Å; V288-G292 PolarHBondContact N-O 2.74Å; G289-G292 PolarHBondContact N-O 2.68Å; G289-G292 PolarHBondContact O-N 3.39Å; A290-G292 PolarHBondContact O-N 3.12Å
293M95.8Very high96.4Very high184 Ų18448.3 Ų48.391%0.90629%0.292SS*.SBendtrans-144.5159175.567171.972.300111
294G96.4Very high96.6Very high55 Ų5547.6 Ų47.657%0.56729%0.291SS*.  trans75.3-175.5-17300000112.2
295R97.3Very high96.6Very high146 Ų14646.5 Ų46.555%0.55128%0.281SS*.  trans-162.3157.3-177.763.2-152.4-179.6-172.6-1.2111.5P284 F285 F300 T304P284-R295 HydrophobicContact CB-CB 3.9Å; P284-R295 HydrophobicContact CB-CG 3.89Å; F285-R295 CarbonylContact O-C 3.56Å; F285-R295 WeakPolarHBondContact O-CA 3.45Å; R295-F300 HydrophobicContact CG-CB 4.33Å; R295-T304 PolarHBondContact O-OG1 2.94Å
296Y97.3Very high96.7Very high45 Ų4545.2 Ų45.218%0.17628%0.276CS..BIsolated β-bridgetrans-145.5-157.717672.6-70.2000110.6L120 V123 F285L120-Y296 WeakPolarHBondContact CD2-OH 3.32Å; V123-Y296 HydrophobicContact CB-CE2 4.2Å; V123-Y296 HydrophobicContact CG1-CD2 3.87Å; V123-Y296 HydrophobicContact CG1-CE2 3.75Å; F285-Y296 HydrophobicContact CD1-CD1 4.4Å; F285-Y296 AromaticContact CD1-CE1 3.54Å; F285-Y296 HydrophobicContact CD1-CE1 3.54Å; F285-Y296 AromaticContact CD1-CZ 3.71Å; F285-Y296 HydrophobicContact CE1-CE1 4.13Å; F285-Y296 PolarHBondContact N-O 3.21Å; F285-Y296 WeakPolarHBondContact O-CD1 3.48Å; F285-Y296 PolarHBondContact O-N 2.7Å
297H95.8Very high96.8Very high4 Ų448.6 Ų48.62%0.01929%0.287CS..SBendtrans79.5138.8-159.6-62.3-172.3000113.8E70 M278 F285 K299 F300 S301E70-H297 WeakPolarHBondContact OE1-CA 3.48Å; E70-H297 IonicContact OE1-CG 2.69Å; M278-H297 PolarHBondContact O-CE1 3.23Å; M278-H297 PolarHBondContact O-ND1 2.94Å; F285-H297 AromaticContact CD1-NE2 3.79Å; F285-H297 AromaticContact CG-CE1 3.89Å; H297-K299 PolarHBondContact O-N 3.39Å; H297-F300 WeakPolarHBondContact O-CA 3.29Å; H297-F300 VanDerWaalsContact O-CB 3.26Å; H297-F300 WeakPolarHBondContact O-CB 3.36Å; H297-F300 WeakPolarHBondContact O-CD2 3.33Å; H297-F300 PolarHBondContact O-N 2.95Å; H297-S301 VanDerWaalsContact C-OG 3.3Å; H297-S301 VanDerWaalsContact CA-OG 3.24Å; H297-S301 WeakPolarHBondContact CA-OG 3.44Å; H297-S301 PolarHBondContact N-OG 2.8Å; H297-S301 PolarHBondContact O-N 3.35Å; H297-S301 VanDerWaalsContact O-N 3.08Å
298G96.5Very high96.9Very high1 Ų151.4 Ų51.41%0.0130%0.296CS..Hα-helixtrans41.2-120.6178.200000114.8E70 F300 S301 F302E70-G298 VanDerWaalsContact CD-N 3.31Å; E70-G298 PolarHBondContact OE1-N 2.95Å; E70-G298 VanDerWaalsContact OE2-CA 3.29Å; E70-G298 WeakPolarHBondContact OE2-CA 3.36Å; E70-G298 PolarHBondContact OE2-N 2.85Å; G298-F300 VanDerWaalsContact C-N 3.27Å; G298-F300 PolarHBondContact O-N 3.23Å; G298-S301 WeakPolarHBondContact O-CB 3.3Å; G298-S301 PolarHBondContact O-N 2.63Å; G298-F302 PolarHBondContact O-N 3.08Å
299K97.6Very high97Very high61 Ų6154.8 Ų54.827%0.26530%0.303SS..Hα-helixtrans-63-32.3178.1176.153158.668.30112.2W81 H297 S301 F302 D303W81-K299 HydrophobicContact CB-CD 4.26Å; W81-K299 HydrophobicContact CD2-CD 4.03Å; W81-K299 HydrophobicContact CG-CD 3.73Å; W81-K299 HydrophobicContact CZ2-CB 4.06Å; H297-K299 PolarHBondContact O-N 3.39Å; K299-S301 VanDerWaalsContact C-N 3.33Å; K299-S301 PolarHBondContact O-N 2.73Å; K299-F302 HydrophobicContact CD-CD1 4.2Å; K299-F302 PolarHBondContact O-N 2.81Å; K299-D303 IonicContact NZ-OD1 2.85Å; K299-D303 PolarHBondContact NZ-OD1 2.85Å; K299-D303 IonicContact NZ-OD2 3.44Å; K299-D303 PolarHBondContact NZ-OD2 2.93Å; K299-D303 PolarHBondContact O-N 3.26Å
300F98.3Very high97Very high47 Ų4756.4 Ų56.421%0.20631%0.311CS..Hα-helixtrans-67.4-34.3177.4-50.9-75.5000111.6S282 P284 R295 H297 G298 D303 T304S282-F300 WeakPolarHBondContact O-CE2 3.4Å; P284-F300 HydrophobicContact CB-CD1 4.04Å; P284-F300 HydrophobicContact CB-CD2 3.85Å; P284-F300 HydrophobicContact CB-CE1 4.13Å; P284-F300 HydrophobicContact CB-CE2 3.96Å; P284-F300 HydrophobicContact CB-CG 3.9Å; P284-F300 HydrophobicContact CB-CZ 4.09Å; P284-F300 HydrophobicContact CG-CE1 4.39Å; P284-F300 HydrophobicContact CG-CE2 4.32Å; P284-F300 HydrophobicContact CG-CZ 4.16Å; P284-F300 VanDerWaalsContact N-CE2 3.34Å; R295-F300 HydrophobicContact CG-CB 4.33Å; H297-F300 WeakPolarHBondContact O-CA 3.29Å; H297-F300 VanDerWaalsContact O-CB 3.26Å; H297-F300 WeakPolarHBondContact O-CB 3.36Å; H297-F300 WeakPolarHBondContact O-CD2 3.33Å; H297-F300 PolarHBondContact O-N 2.95Å; G298-F300 VanDerWaalsContact C-N 3.27Å; G298-F300 PolarHBondContact O-N 3.23Å; F300-D303 PolarHBondContact O-N 2.71Å; F300-T304 VanDerWaalsContact O-CB 3.3Å; F300-T304 WeakPolarHBondContact O-CB 3.22Å; F300-T304 PolarHBondContact O-N 3.49Å; F300-T304 PolarHBondContact O-OG1 2.82Å
301S97.9Very high97.2Very high0 Ų054.1 Ų54.10%029%0.29CS..Hα-helixtrans-61-47.2170.8-52.20000111.2H297 G298 K299 D303 T304 F305H297-S301 VanDerWaalsContact C-OG 3.3Å; H297-S301 VanDerWaalsContact CA-OG 3.24Å; H297-S301 WeakPolarHBondContact CA-OG 3.44Å; H297-S301 PolarHBondContact N-OG 2.8Å; H297-S301 PolarHBondContact O-N 3.35Å; H297-S301 VanDerWaalsContact O-N 3.08Å; G298-S301 WeakPolarHBondContact O-CB 3.3Å; G298-S301 PolarHBondContact O-N 2.63Å; K299-S301 VanDerWaalsContact C-N 3.33Å; K299-S301 PolarHBondContact O-N 2.73Å; S301-D303 VanDerWaalsContact C-N 3.35Å; S301-D303 PolarHBondContact O-N 2.88Å; S301-T304 PolarHBondContact O-N 3.45Å; S301-F305 WeakPolarHBondContact O-CD2 3.41Å; S301-F305 PolarHBondContact O-N 3.26Å
302F98.3Very high97.3Very high1 Ų156.6 Ų56.60%0.00430%0.3CS..Hα-helixtrans-60.3-43.3176.7174-84.4000112W81 M82 K102 A130 A131 G298 K299 F305 S306W81-F302 HydrophobicContact CB-CD1 3.95Å; W81-F302 HydrophobicContact CB-CD2 4.07Å; W81-F302 HydrophobicContact CB-CE1 3.89Å; W81-F302 HydrophobicContact CB-CE2 4Å; W81-F302 HydrophobicContact CB-CG 4.05Å; W81-F302 HydrophobicContact CB-CZ 3.93Å; W81-F302 HydrophobicContact CD2-CB 4.38Å; W81-F302 HydrophobicContact CD2-CG 4.42Å; W81-F302 HydrophobicContact CE3-CB 3.71Å; W81-F302 AromaticContact CE3-CD2 3.94Å; W81-F302 HydrophobicContact CE3-CD2 3.94Å; W81-F302 AromaticContact CE3-CG 3.92Å; W81-F302 HydrophobicContact CE3-CG 3.92Å; W81-F302 HydrophobicContact CZ3-CB 4.1Å; W81-F302 VanDerWaalsContact O-CE1 3.29Å; W81-F302 WeakPolarHBondContact O-CE1 3.25Å; W81-F302 WeakPolarHBondContact O-CZ 3.19Å; M82-F302 HydrophobicContact CG-CE2 4.06Å; M82-F302 HydrophobicContact CG-CZ 4.14Å; K102-F302 HydrophobicContact CB-CE1 4.02Å; K102-F302 HydrophobicContact CB-CZ 4.19Å; K102-F302 HydrophobicContact CG-CE1 4Å; A130-F302 HydrophobicContact CB-CD2 3.97Å; A130-F302 VanDerWaalsContact O-CE2 3.31Å; A130-F302 WeakPolarHBondContact O-CE2 3.49Å; A131-F302 HydrophobicContact CB-CD2 4.23Å; A131-F302 HydrophobicContact CB-CE2 4.47Å; G298-F302 PolarHBondContact O-N 3.08Å; K299-F302 HydrophobicContact CD-CD1 4.2Å; K299-F302 PolarHBondContact O-N 2.81Å; F302-F305 PolarHBondContact O-N 3.02Å; F302-S306 WeakPolarHBondContact O-CB 3.22Å; F302-S306 PolarHBondContact O-N 2.83Å; F302-S306 PolarHBondContact O-OG 2.82Å
303D98.3Very high97.2Very high31 Ų3160 Ų6017%0.16631%0.311CS..Hα-helixtrans-67.4-41.8179.5-74.5-31.3000112.1K299 F300 S301 F305 S306 H308K299-D303 IonicContact NZ-OD1 2.85Å; K299-D303 PolarHBondContact NZ-OD1 2.85Å; K299-D303 IonicContact NZ-OD2 3.44Å; K299-D303 PolarHBondContact NZ-OD2 2.93Å; K299-D303 PolarHBondContact O-N 3.26Å; F300-D303 PolarHBondContact O-N 2.71Å; S301-D303 VanDerWaalsContact C-N 3.35Å; S301-D303 PolarHBondContact O-N 2.88Å; D303-F305 PolarHBondContact O-N 2.93Å; D303-S306 PolarHBondContact O-N 3.47Å; D303-S306 VanDerWaalsContact O-O 3.06Å; D303-H308 WeakPolarHBondContact CA-CE1 3.31Å; D303-H308 WeakPolarHBondContact CB-CE1 3.27Å; D303-H308 VanDerWaalsContact CG-CE1 3.41Å; D303-H308 PolarHBondContact O-CE1 3.44Å; D303-H308 IonicContact OD1-CE1 3.81Å; D303-H308 PolarHBondContact OD1-CE1 2.88Å; D303-H308 VanDerWaalsContact OD1-CE1 3.32Å; D303-H308 IonicContact OD1-NE2 3.94Å; D303-H308 PolarHBondContact OD1-NE2 2.73Å; D303-H308 IonicContact OD2-NE2 2.8Å
304T98.4Very high96.9Very high64 Ų6456.3 Ų56.339%0.39329%0.287SS..Hα-helixtrans-62.5-29.2178.1-76.20000113R295 F300 S301R295-T304 PolarHBondContact O-OG1 2.94Å; F300-T304 VanDerWaalsContact O-CB 3.3Å; F300-T304 WeakPolarHBondContact O-CB 3.22Å; F300-T304 PolarHBondContact O-N 3.49Å; F300-T304 PolarHBondContact O-OG1 2.82Å; S301-T304 PolarHBondContact O-N 3.45Å
305F97.5Very high96.2Very high30 Ų3056.6 Ų56.613%0.13228%0.28CS..THydrogen-bonded Turntrans-99.615.2175.2-59.2-61.5000114.1F105 V108 P124 A128 A131 N133 S301 F302 D303F105-F305 WeakPolarHBondContact CD2-O 3.38Å; V108-F305 HydrophobicContact CB-CD1 4.47Å; V108-F305 HydrophobicContact CG1-CD1 3.74Å; V108-F305 HydrophobicContact CG1-CE1 3.48Å; V108-F305 VanDerWaalsContact CG1-CE1 3.48Å; V108-F305 HydrophobicContact CG1-CZ 4.26Å; V108-F305 HydrophobicContact CG2-CD1 3.83Å; V108-F305 HydrophobicContact CG2-CE1 4.42Å; P124-F305 HydrophobicContact CB-CE2 4.1Å; P124-F305 HydrophobicContact CB-CZ 4.13Å; P124-F305 WeakPolarHBondContact O-CE2 3.45Å; A128-F305 HydrophobicContact CB-CB 4.36Å; A128-F305 HydrophobicContact CB-CD1 4.34Å; A128-F305 HydrophobicContact CB-CD2 3.78Å; A128-F305 HydrophobicContact CB-CE2 4.12Å; A128-F305 HydrophobicContact CB-CG 3.9Å; A128-F305 VanDerWaalsContact N-CD2 3.33Å; A131-F305 HydrophobicContact CB-CB 3.83Å; A131-F305 WeakPolarHBondContact CB-O 3.35Å; N133-F305 PolarHBondContact ND2-O 2.83Å; S301-F305 WeakPolarHBondContact O-CD2 3.41Å; S301-F305 PolarHBondContact O-N 3.26Å; F302-F305 PolarHBondContact O-N 3.02Å; D303-F305 PolarHBondContact O-N 2.93Å
306S98.1Very high95.3Very high5 Ų555.8 Ų55.84%0.03529%0.294CS..EExtended strand (participates in β ladder)trans-122.5136177.1-630000112.4E103 F105 A131 F302 D303 H308E103-S306 CarbonylContact O-C 3.41Å; F105-S306 VanDerWaalsContact CE2-C 3.47Å; A131-S306 WeakPolarHBondContact CB-OG 3.07Å; F302-S306 WeakPolarHBondContact O-CB 3.22Å; F302-S306 PolarHBondContact O-N 2.83Å; F302-S306 PolarHBondContact O-OG 2.82Å; D303-S306 PolarHBondContact O-N 3.47Å; D303-S306 VanDerWaalsContact O-O 3.06Å; S306-H308 PolarHBondContact O-ND1 3Å
307H98.2Very high94.3Very high87 Ų8757.6 Ų57.640%0.40333%0.326SS..EExtended strand (participates in β ladder)trans-78.4119.3163.3173.6-126.4000110.3K102 E103 F105 R309K102-H307 WeakPolarHBondContact CA-O 3.36Å; E103-H307 PolarHBondContact N-O 2.7Å; E103-H307 PolarHBondContact O-N 2.9Å; E103-H307 IonicContact OE2-ND1 3.77Å; F105-H307 HydrophobicContact CD1-CB 4.24Å; F105-H307 HydrophobicContact CE1-CB 3.83Å; F105-H307 HydrophobicContact CZ-CB 4.17Å; H307-R309 PolarHBondContact O-N 2.87Å; H307-R309 VanDerWaalsContact O-N 3.16Å
308H98.1Very high93.5Very high76 Ų7660.1 Ų60.135%0.35234%0.338SS..EExtended strand (participates in β ladder)trans-82.980.6174.6-65.886.6000111.3I100 R101 D303 S306 A310I100-H308 HydrophobicContact CG2-CB 3.62Å; R101-H308 CarbonylContact O-C 3.59Å; D303-H308 WeakPolarHBondContact CA-CE1 3.31Å; D303-H308 WeakPolarHBondContact CB-CE1 3.27Å; D303-H308 VanDerWaalsContact CG-CE1 3.41Å; D303-H308 PolarHBondContact O-CE1 3.44Å; D303-H308 IonicContact OD1-CE1 3.81Å; D303-H308 PolarHBondContact OD1-CE1 2.88Å; D303-H308 VanDerWaalsContact OD1-CE1 3.32Å; D303-H308 IonicContact OD1-NE2 3.94Å; D303-H308 PolarHBondContact OD1-NE2 2.73Å; D303-H308 IonicContact OD2-NE2 2.8Å; S306-H308 PolarHBondContact O-ND1 3Å; H308-A310 PolarHBondContact O-N 2.75Å
309R98Very high92.9Very high121 Ų12165 Ų6546%0.45736%0.361SS..EExtended strand (participates in β ladder)trans-71.9112.2-179.9-175.5177.8179.8174.26.4111.9R101 E103 H307 C311R101-R309 HydrophobicContact CB-CB 4.46Å; R101-R309 PolarHBondContact N-O 2.7Å; R101-R309 PolarHBondContact O-N 3.1Å; E103-R309 VanDerWaalsContact CD-CD 3.43Å; E103-R309 WeakPolarHBondContact OE1-CD 3.4Å; E103-R309 IonicContact OE1-CZ 2.76Å; E103-R309 IonicContact OE1-NE 3.45Å; E103-R309 IonicContact OE1-NH1 2.78Å; E103-R309 PolarHBondContact OE1-NH1 3.07Å; E103-R309 VanDerWaalsContact OE2-CD 3.25Å; E103-R309 WeakPolarHBondContact OE2-CD 3.29Å; E103-R309 IonicContact OE2-NH1 3.22Å; H307-R309 PolarHBondContact O-N 2.87Å; H307-R309 VanDerWaalsContact O-N 3.16Å; R309-C311 PolarHBondContact O-N 3.21Å
310A97.7Very high92.1Very high88 Ų8871.4 Ų71.473%0.72739%0.389SS*.EExtended strand (participates in β ladder)trans-64.6130.9169.400000111.2H308H308-A310 PolarHBondContact O-N 2.75Å
311C97.6Very high91.3Very high25 Ų2574.3 Ų74.317%0.16941%0.406CS..EExtended strand (participates in β ladder)trans-129.9127.7179.5-66.30000110.3A98 F99 R309A98-C311 CarbonylContact C-O 3.47Å; A98-C311 WeakPolarHBondContact CA-O 3.48Å; F99-C311 HydrophobicContact CD1-CB 4.14Å; F99-C311 HydrophobicContact CD2-CB 3.76Å; F99-C311 HydrophobicContact CE1-CB 3.85Å; F99-C311 HydrophobicContact CE2-CB 3.44Å; F99-C311 VanDerWaalsContact CE2-CB 3.44Å; F99-C311 HydrophobicContact CG-CB 4.11Å; F99-C311 HydrophobicContact CZ-CB 3.49Å; F99-C311 VanDerWaalsContact CZ-CB 3.49Å; F99-C311 PolarHBondContact N-O 3.4Å; F99-C311 PolarHBondContact O-N 2.93Å; R309-C311 PolarHBondContact O-N 3.21Å
312L95.3Very high90.6Very high87 Ų8775.1 Ų75.146%0.45541%0.41SS..EExtended strand (participates in β ladder)trans-125.5109.1171-179.168.7000108.5T93 D96 A98 R314T93-L312 HydrophobicContact CG2-CD1 4.18Å; T93-L312 HydrophobicContact CG2-CD2 4.04Å; D96-L312 HydrophobicContact CB-CD1 3.67Å; D96-L312 HydrophobicContact CB-CG 4.45Å; A98-L312 HydrophobicContact CB-CD1 3.99Å; L312-R314 HydrophobicContact CD2-CG 4.37Å; L312-R314 HydrophobicContact CG-CG 4.25Å
313L93.8Very high90Very high103 Ų10377.1 Ų77.154%0.53943%0.427SS..EExtended strand (participates in β ladder)trans-98.9114.6175.7-52.9-178.3000108.6S97 F99S97-L313 PolarHBondContact N-O 3.18Å; S97-L313 PolarHBondContact O-N 2.91Å; F99-L313 HydrophobicContact CE1-CD1 3.76Å; F99-L313 HydrophobicContact CE1-CG 3.9Å; F99-L313 HydrophobicContact CZ-CD1 4.09Å; F99-L313 HydrophobicContact CZ-CG 4.37Å
314R88.7Confident89.4Confident106 Ų10679.1 Ų79.140%0.444%0.437SS..PPolyproline II helixtrans-94.6142.6179-51.4-165.574.2-156.32111.1D96 L312 N322D96-R314 HydrophobicContact CB-CG 4.47Å; D96-R314 VanDerWaalsContact OD1-CA 3.27Å; D96-R314 WeakPolarHBondContact OD1-CA 3.49Å; D96-R314 WeakPolarHBondContact OD1-CB 3.44Å; D96-R314 IonicContact OD1-NE 2.64Å; D96-R314 WeakPolarHBondContact OD2-CG 3.42Å; D96-R314 IonicContact OD2-CZ 2.07Å; D96-R314 IonicContact OD2-NE 3.32Å; D96-R314 PolarHBondContact OD2-NE 3.03Å; D96-R314 IonicContact OD2-NH2 2.7Å; L312-R314 HydrophobicContact CD2-CG 4.37Å; L312-R314 HydrophobicContact CG-CG 4.25Å; R314-N322 PolarHBondContact NH1-ND2 3.2Å; R314-N322 PolarHBondContact NH1-OD1 2.73Å; R314-N322 PolarHBondContact NH2-OD1 3.18Å
315S82.2Confident88.8Confident60 Ų6082.5 Ų82.542%0.4244%0.443SS..PPolyproline II helixtrans-71.4133.1178.3-64.70000111.3
316P77.6Confident88.4Confident130 Ų13085 Ų8584%0.84445%0.452SS*.THydrogen-bonded Turntrans-64.9151.2173.528.3-34.1000111
317G76.3Confident88.1Confident82 Ų8289.7 Ų89.785%0.84548%0.482SS*.THydrogen-bonded Turntrans91.2-8.3174.700000116.6E319G317-E319 VanDerWaalsContact C-N 3.27Å; G317-E319 PolarHBondContact O-N 3.14Å
318M79.4Confident87.7Confident57 Ų5790.4 Ų90.428%0.28150%0.495SS..  trans-87.419.3-179-69.8173.258.300114.7L95 K320 L321L95-M318 HydrophobicContact CB-CE 3.86Å; L95-M318 HydrophobicContact CD1-CE 3.45Å; L95-M318 VanDerWaalsContact CD1-CE 3.45Å; L95-M318 HydrophobicContact CG-CE 4.29Å; M318-K320 PolarHBondContact O-N 3.28Å; M318-K320 VanDerWaalsContact O-N 3.13Å; M318-L321 HydrophobicContact CB-CD1 4.4Å; M318-L321 HydrophobicContact CE-CD1 3.53Å; M318-L321 WeakPolarHBondContact O-CB 3.34Å; M318-L321 PolarHBondContact O-N 3.37Å
319E83.4Confident87.3Confident103 Ų10395.4 Ų95.448%0.48152%0.518SS..G310 helixtrans-61.4-28.2-169.4-173.958.3-168.300114.1G317 L321 N322 Y326G317-E319 VanDerWaalsContact C-N 3.27Å; G317-E319 PolarHBondContact O-N 3.14Å; E319-L321 PolarHBondContact O-N 3.42Å; E319-N322 WeakPolarHBondContact O-CB 3.14Å; E319-N322 PolarHBondContact O-N 3.27Å; E319-N322 PolarHBondContact OE2-ND2 3.28Å; E319-Y326 WeakPolarHBondContact OE1-CE2 3.39Å; E319-Y326 PolarHBondContact OE1-OH 2.89Å
320K81.9Confident87.1Confident197 Ų19791.8 Ų91.886%0.85751%0.511SS*.G310 helixtrans-60.8-29.4174.8-69.3-175.4178.7179.20113.3M318 N322 A323M318-K320 PolarHBondContact O-N 3.28Å; M318-K320 VanDerWaalsContact O-N 3.13Å; K320-N322 VanDerWaalsContact C-N 3.29Å; K320-A323 WeakPolarHBondContact O-CB 3.47Å; K320-A323 PolarHBondContact O-N 3.1Å
321L80.2Confident86.9Confident107 Ų10793 Ų9356%0.5651%0.512SS*.G310 helixtrans-71.3-27.9175.8-62177.1000111.9M318 E319 A323 L324M318-L321 HydrophobicContact CB-CD1 4.4Å; M318-L321 HydrophobicContact CE-CD1 3.53Å; M318-L321 WeakPolarHBondContact O-CB 3.34Å; M318-L321 PolarHBondContact O-N 3.37Å; E319-L321 PolarHBondContact O-N 3.42Å; L321-A323 PolarHBondContact O-N 2.53Å; L321-L324 PolarHBondContact O-N 3.29Å
322N83.8Confident86.5Confident17 Ų17101.2 Ų101.29%0.09154%0.54CS..G310 helixtrans-70-11.8174-64.3-39000112.4R314 E319 K320 L324 R325 Y326R314-N322 PolarHBondContact NH1-ND2 3.2Å; R314-N322 PolarHBondContact NH1-OD1 2.73Å; R314-N322 PolarHBondContact NH2-OD1 3.18Å; E319-N322 WeakPolarHBondContact O-CB 3.14Å; E319-N322 PolarHBondContact O-N 3.27Å; E319-N322 PolarHBondContact OE2-ND2 3.28Å; K320-N322 VanDerWaalsContact C-N 3.29Å; N322-L324 PolarHBondContact O-N 2.96Å; N322-L324 VanDerWaalsContact O-N 3.08Å; N322-R325 HydrophobicContact CB-CG 4.32Å; N322-R325 WeakPolarHBondContact O-CG 3.3Å; N322-R325 PolarHBondContact O-N 2.72Å; N322-Y326 HydrophobicContact CB-CD2 4.49Å; N322-Y326 HydrophobicContact CB-CE1 4.34Å; N322-Y326 HydrophobicContact CB-CE2 3.64Å; N322-Y326 WeakPolarHBondContact CB-OH 3.34Å; N322-Y326 WeakPolarHBondContact O-CD2 3.29Å; N322-Y326 PolarHBondContact O-N 3.01Å
323A86Confident86.3Confident44 Ų44100.5 Ų100.536%0.36453%0.531SS..G310 helixtrans-58.9-22.6174.900000113.8K320 L321 R325 Y326 R333K320-A323 WeakPolarHBondContact O-CB 3.47Å; K320-A323 PolarHBondContact O-N 3.1Å; L321-A323 PolarHBondContact O-N 2.53Å; A323-R325 VanDerWaalsContact C-N 3.32Å; A323-R325 PolarHBondContact O-N 3.29Å; A323-Y326 PolarHBondContact O-N 3.13Å; A323-R333 PolarHBondContact O-NH1 3.23Å
324L84.6Confident86.1Confident73 Ų73100.5 Ų100.538%0.38253%0.531SS..G310 helixtrans-64-33.8173.8-68.8179.3000113.2L321 N322 R333 M336 L337L321-L324 PolarHBondContact O-N 3.29Å; N322-L324 PolarHBondContact O-N 2.96Å; N322-L324 VanDerWaalsContact O-N 3.08Å; L324-R333 HydrophobicContact CD2-CG 4.38Å; L324-M336 HydrophobicContact CD2-CE 3.55Å; L324-L337 VanDerWaalsContact O-CD1 3.32Å; L324-L337 WeakPolarHBondContact O-CD1 3.25Å
325R85.8Confident86.2Confident135 Ų135104.7 Ų104.751%0.50955%0.547SS..G310 helixtrans-92.6-3.3177.562.2164.1-167.3-177.23.9114N322 A323 L337N322-R325 HydrophobicContact CB-CG 4.32Å; N322-R325 WeakPolarHBondContact O-CG 3.3Å; N322-R325 PolarHBondContact O-N 2.72Å; A323-R325 VanDerWaalsContact C-N 3.32Å; A323-R325 PolarHBondContact O-N 3.29Å; R325-L337 HydrophobicContact CB-CD1 4.2Å; R325-L337 HydrophobicContact CB-CD2 4.36Å
326Y90.4Very high86.5Confident81 Ų81105.4 Ų105.432%0.31855%0.545SS..SBendtrans-94.4152.4180-60.9-29000112.3E319 N322 A323 R333E319-Y326 WeakPolarHBondContact OE1-CE2 3.39Å; E319-Y326 PolarHBondContact OE1-OH 2.89Å; N322-Y326 HydrophobicContact CB-CD2 4.49Å; N322-Y326 HydrophobicContact CB-CE1 4.34Å; N322-Y326 HydrophobicContact CB-CE2 3.64Å; N322-Y326 WeakPolarHBondContact CB-OH 3.34Å; N322-Y326 WeakPolarHBondContact O-CD2 3.29Å; N322-Y326 PolarHBondContact O-N 3.01Å; A323-Y326 PolarHBondContact O-N 3.13Å; Y326-R333 PolarHBondContact O-NH1 3.27Å
327P90.9Very high87Confident104 Ų104101.5 Ų101.568%0.67552%0.516SS*.SBendtrans-57.1158.5171.7-25.535.6000113.3
328P90Very high87.6Confident102 Ų102102.3 Ų102.366%0.66250%0.501SS*.SBendcis-70.7147.5-11.130.7-35000111.8R333P328-R333 PolarHBondContact O-NH1 3.01Å
329Q89.7Confident88Confident181 Ų181103.1 Ų103.185%0.84651%0.508SS*.PPolyproline II helixtrans-76.2150.8178.8-62.9170.72.900110.5
330S93.8Very high88.2Confident45 Ų4599.3 Ų99.332%0.31550%0.495SS..  trans-150.9154.2171.775.40000111.8R332 R333 L334S330-R332 PolarHBondContact O-N 3.38Å; S330-R332 VanDerWaalsContact O-N 3.15Å; S330-R333 PolarHBondContact O-N 2.92Å; S330-R333 PolarHBondContact OG-N 3.28Å; S330-L334 PolarHBondContact O-N 3.05Å
331P93.1Very high88.4Confident115 Ų11595.6 Ų95.675%0.74748%0.482SS*.Hα-helixtrans-56.4-32.5178.7-27.235.5000113.4R335P331-R335 PolarHBondContact O-N 3.25Å
332R90.5Very high88.7Confident197 Ų19796.4 Ų96.474%0.74348%0.483SS*.Hα-helixtrans-68.7-43.9175.6-170-177.9172.2175.7-0.6111.9S330 R335 M336S330-R332 PolarHBondContact O-N 3.38Å; S330-R332 VanDerWaalsContact O-N 3.15Å; R332-R335 PolarHBondContact O-N 2.89Å; R332-M336 HydrophobicContact CG-CE 4.15Å; R332-M336 WeakPolarHBondContact O-CE 3.2Å; R332-M336 WeakPolarHBondContact O-CG 3.49Å; R332-M336 PolarHBondContact O-N 3.41Å
333R89.9Confident88.2Confident71 Ų71100.1 Ų100.127%0.26852%0.516SS..Hα-helixtrans-63-44.3175.1-73.8-176.8-174.1-172.63.9111A323 L324 Y326 P328 S330 R335 M336 L337A323-R333 PolarHBondContact O-NH1 3.23Å; L324-R333 HydrophobicContact CD2-CG 4.38Å; Y326-R333 PolarHBondContact O-NH1 3.27Å; P328-R333 PolarHBondContact O-NH1 3.01Å; S330-R333 PolarHBondContact O-N 2.92Å; S330-R333 PolarHBondContact OG-N 3.28Å; R333-R335 PolarHBondContact O-N 3.16Å; R333-M336 PolarHBondContact O-N 3.35Å; R333-L337 PolarHBondContact O-N 3.08Å
334L89.8Confident87.1Confident104 Ų104103.7 Ų103.755%0.54553%0.525SS..Hα-helixtrans-57.9-49.1176.8178.660.3000111.9S330 M336 L337 L338S330-L334 PolarHBondContact O-N 3.05Å; L334-M336 VanDerWaalsContact C-N 3.34Å; L334-M336 PolarHBondContact O-N 3.01Å; L334-L337 WeakPolarHBondContact O-CB 2.98Å; L334-L337 PolarHBondContact O-N 3.5Å; L334-L338 HydrophobicContact CD1-CD1 4.2Å; L334-L338 HydrophobicContact CD1-CG 4.19Å; L334-L338 HydrophobicContact CG-CD1 4.11Å; L334-L338 WeakPolarHBondContact O-CG 3.49Å; L334-L338 PolarHBondContact O-N 3.17Å
335R91.1Very high85.5Confident193 Ų193103.7 Ų103.773%0.72854%0.543SS*.Hα-helixtrans-59.5-42.2178.7-171.1179.5-66.5-166.3-1.3112.5P331 R332 R333 L338 V339P331-R335 PolarHBondContact O-N 3.25Å; R332-R335 PolarHBondContact O-N 2.89Å; R333-R335 PolarHBondContact O-N 3.16Å; R335-L338 PolarHBondContact O-N 3.04Å; R335-V339 WeakPolarHBondContact O-CG2 3.36Å; R335-V339 PolarHBondContact O-N 3.21Å
336M87.9Confident83.5Confident76 Ų76101.8 Ų101.837%0.37455%0.549SS..Hα-helixtrans-67.3-35.7177.4-66.8-177.5-60.800112.4L324 R332 R333 L334 A340L324-M336 HydrophobicContact CD2-CE 3.55Å; R332-M336 HydrophobicContact CG-CE 4.15Å; R332-M336 WeakPolarHBondContact O-CE 3.2Å; R332-M336 WeakPolarHBondContact O-CG 3.49Å; R332-M336 PolarHBondContact O-N 3.41Å; R333-M336 PolarHBondContact O-N 3.35Å; L334-M336 VanDerWaalsContact C-N 3.34Å; L334-M336 PolarHBondContact O-N 3.01Å; M336-A340 VanDerWaalsContact O-CB 3.29Å; M336-A340 WeakPolarHBondContact O-CB 3.4Å; M336-A340 PolarHBondContact O-N 3.47Å
337L87.8Confident81.1Confident47 Ų47103.3 Ų103.325%0.24657%0.571CS.*Hα-helixtrans-66.3-44.1174.7-94.5158.8000112.6L324 R325 R333 L334 A340 M341L324-L337 VanDerWaalsContact O-CD1 3.32Å; L324-L337 WeakPolarHBondContact O-CD1 3.25Å; R325-L337 HydrophobicContact CB-CD1 4.2Å; R325-L337 HydrophobicContact CB-CD2 4.36Å; R333-L337 PolarHBondContact O-N 3.08Å; L334-L337 WeakPolarHBondContact O-CB 2.98Å; L334-L337 PolarHBondContact O-N 3.5Å; L337-A340 PolarHBondContact O-N 2.98Å; L337-A340 VanDerWaalsContact O-N 3.16Å; L337-M341 HydrophobicContact CD2-SD 4.26Å; L337-M341 WeakPolarHBondContact O-CB 3.45Å; L337-M341 VanDerWaalsContact O-CG 3.25Å; L337-M341 WeakPolarHBondContact O-CG 3.41Å; L337-M341 PolarHBondContact O-N 3.24Å
338L89.4Confident78.5Confident100 Ų100103.4 Ų103.452%0.52457%0.573SS.*Hα-helixtrans-59.2-51.5178.3-69.4170.2000111L334 R335 A340 M341 E342L334-L338 HydrophobicContact CD1-CD1 4.2Å; L334-L338 HydrophobicContact CD1-CG 4.19Å; L334-L338 HydrophobicContact CG-CD1 4.11Å; L334-L338 WeakPolarHBondContact O-CG 3.49Å; L334-L338 PolarHBondContact O-N 3.17Å; R335-L338 PolarHBondContact O-N 3.04Å; L338-A340 VanDerWaalsContact C-N 3.25Å; L338-A340 PolarHBondContact O-N 3.31Å; L338-M341 PolarHBondContact O-N 3.48Å; L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 2.95Å
339V88.4Confident75.9Confident73 Ų73104.6 Ų104.644%0.44258%0.579SS.*Hα-helixtrans-58.8-36175174.50000112.1R335 M341R335-V339 WeakPolarHBondContact O-CG2 3.36Å; R335-V339 PolarHBondContact O-N 3.21Å; V339-M341 VanDerWaalsContact C-N 3.35Å
340A86.9Confident73.2Confident23 Ų23104 Ų10419%0.1958%0.581CS.*Hα-helixtrans-73.5-27.217800000113.4L91 A92 M336 L337 L338L91-A340 HydrophobicContact CB-CB 4.48Å; L91-A340 PolarHBondContact N-O 3.38Å; A92-A340 HydrophobicContact CB-CB 4.03Å; A92-A340 VanDerWaalsContact CB-O 3.3Å; A92-A340 WeakPolarHBondContact CB-O 3.45Å; A92-A340 PolarHBondContact N-O 3.5Å; M336-A340 VanDerWaalsContact O-CB 3.29Å; M336-A340 WeakPolarHBondContact O-CB 3.4Å; M336-A340 PolarHBondContact O-N 3.47Å; L337-A340 PolarHBondContact O-N 2.98Å; L337-A340 VanDerWaalsContact O-N 3.16Å; L338-A340 VanDerWaalsContact C-N 3.25Å; L338-A340 PolarHBondContact O-N 3.31Å
341M86.4Confident70.3Confident120 Ų120113 Ų11359%0.59162%0.624SS**Hα-helixtrans-91.7-20.6-177.9-72.5178.265.500113.7N90 L337 L338 V339 A343N90-M341 PolarHBondContact ND2-O 2.83Å; N90-M341 VanDerWaalsContact ND2-O 3.14Å; L337-M341 HydrophobicContact CD2-SD 4.26Å; L337-M341 WeakPolarHBondContact O-CB 3.45Å; L337-M341 VanDerWaalsContact O-CG 3.25Å; L337-M341 WeakPolarHBondContact O-CG 3.41Å; L337-M341 PolarHBondContact O-N 3.24Å; L338-M341 PolarHBondContact O-N 3.48Å; V339-M341 VanDerWaalsContact C-N 3.35Å; M341-A343 PolarHBondContact O-N 2.99Å
342E86.9Confident69.1Low123 Ų123112.9 Ų112.958%0.57562%0.618SS**SBendtrans-46.3133.1175-86.8168.8-162.300111.6N90 L338 Q344N90-E342 WeakPolarHBondContact CB-O 3.37Å; L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 2.95Å; E342-Q344 PolarHBondContact O-N 2.83Å
343A71.9Confident68Low95 Ų95108.4 Ų108.479%0.78561%0.611SS**  trans-67.7115172.700000108.1M341 G345M341-A343 PolarHBondContact O-N 2.99Å; A343-G345 PolarHBondContact O-N 3.15Å; A343-G345 VanDerWaalsContact O-N 3.1Å
344Q63.2Low66.8Low120 Ų120110.5 Ų110.556%0.56163%0.63SS**PPolyproline II helixtrans-61118.2167.5-70-169.8-11.700107.6E342 C346E342-Q344 PolarHBondContact O-N 2.83Å; Q344-C346 PolarHBondContact O-N 3.29Å
345G51.9Low65.4Low73 Ų73110.9 Ų110.975%0.75364%0.635SS**PPolyproline II helixtrans-57125.1179.600000109.7A343 S347A343-G345 PolarHBondContact O-N 3.15Å; A343-G345 VanDerWaalsContact O-N 3.1Å; G345-S347 PolarHBondContact O-N 2.96Å
346C44Very low63.8Low94 Ų94105.8 Ų105.864%0.63563%0.629SS**PPolyproline II helixtrans-56.8117.7168.7-72.80000108Q344 C348Q344-C346 PolarHBondContact O-N 3.29Å; C346-C348 PolarHBondContact O-N 3.04Å
347S40.3Very low62.2Low113 Ų113107.7 Ų107.779%0.7965%0.646SS**  trans-67.983.5160.259.40000107.3G345 T349G345-S347 PolarHBondContact O-N 2.96Å; S347-T349 PolarHBondContact O-N 3.31Å
348C35Very low60.4Low106 Ų106112.1 Ų112.172%0.71668%0.675SS**  trans-56.5112.6173.5-71.90000108C346 L350C346-C348 PolarHBondContact O-N 3.04Å; C348-L350 PolarHBondContact O-N 3.02Å
349T35.8Very low58.2Low127 Ų127113 Ų11378%0.77969%0.686SS**  trans-66.9103.6166.4-31.10000106.2S347 L351S347-T349 PolarHBondContact O-N 3.31Å; T349-L351 PolarHBondContact O-N 3.5Å
350L33.8Very low55.6Low169 Ų169116.3 Ų116.389%0.88571%0.707SS**  trans-64.3116.1168-81.2157.9000108C348C348-L350 PolarHBondContact O-N 3.02Å
351L31.6Very low52.8Low233 Ų233124.8 Ų124.8100%1.2275%0.754SS**  trans-136.50162.4-79.1174.6000107.5T349T349-L351 PolarHBondContact O-N 3.5Å

Retrieved 351 of 351 residues in 159.7 ms (Link to these results)

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