A0A096MV83_PAPAN Loading...

Clavesin-2

Required for normal morphology of late endosomes and/or lysosomes in neurons. Binds phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2).

AlphaFold DB (F1PL15), UniProt , Accession A0A096MV83, Species PAPAN (Papio anubis, Olive baboon), Gene CLVS2, Length 327 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
1M51.7Low80Confident189 Ų18972.3 Ų72.393%0.93142%0.423SS*.  0128.60-76.5-172.3-113.500108.2L13M1-L13 HydrophobicContact SD-CD1 3.92Å
2T63.6Low81.4Confident32 Ų3266.9 Ų66.920%0.19639%0.392CS..  trans-74.7156.7172.257.20000109.2L4 Q5T2-L4 PolarHBondContact O-N 3.31Å; T2-L4 VanDerWaalsContact O-N 3.14Å; T2-Q5 PolarHBondContact O-N 3.5Å
3H75.1Confident82.5Confident135 Ų13564.6 Ų64.663%0.62538%0.377SS*.G310 helixtrans-59-24.3176.270.6-79.2000112.6Q5 A6 H28H3-Q5 PolarHBondContact O-N 3.41Å; H3-A6 WeakPolarHBondContact O-CB 3.23Å; H3-A6 PolarHBondContact O-N 3.11Å; H3-H28 AromaticContact CE1-NE2 3.96Å
4L72.4Confident83.5Confident18 Ų1866.1 Ų66.19%0.09438%0.379CS..G310 helixtrans-72.3-13.6176.7-62.3172.7000114.2T2 L27 I31 D51 L55T2-L4 PolarHBondContact O-N 3.31Å; T2-L4 VanDerWaalsContact O-N 3.14Å; L4-L27 HydrophobicContact CB-CD2 3.61Å; L4-L27 HydrophobicContact CD1-CD2 3.91Å; L4-L27 HydrophobicContact CD1-CG 4.22Å; L4-L27 HydrophobicContact CG-CD2 4.42Å; L4-I31 HydrophobicContact CD1-CD1 3.71Å; L4-D51 HydrophobicContact CD1-CB 4.17Å; L4-D51 HydrophobicContact CD2-CB 3.68Å; L4-L55 HydrophobicContact CB-CD2 4.17Å
5Q78.4Confident84.4Confident7 Ų764.1 Ų64.13%0.03336%0.364CS..G310 helixtrans-105.81.3173.1-66.2-176.1-4500112.1T2 H3 G7 L8 L13 E22 L27T2-Q5 PolarHBondContact O-N 3.5Å; H3-Q5 PolarHBondContact O-N 3.41Å; Q5-G7 PolarHBondContact O-N 2.96Å; Q5-L8 PolarHBondContact O-N 3.01Å; Q5-L13 HydrophobicContact CB-CD2 4.18Å; Q5-L13 HydrophobicContact CG-CD2 4.42Å; Q5-E22 PolarHBondContact NE2-OE1 3.44Å; Q5-L27 HydrophobicContact CG-CD2 4.09Å
6A76.7Confident85.2Confident66 Ų6660.1 Ų60.155%0.54534%0.341SS..THydrogen-bonded Turntrans-59.9129172.900000109.1H3H3-A6 WeakPolarHBondContact O-CB 3.23Å; H3-A6 PolarHBondContact O-N 3.11Å
7G83.4Confident85.9Confident60 Ų6063.8 Ų63.862%0.61935%0.348SS*.THydrogen-bonded Turntrans102.5-9.7-178.900000115.4Q5Q5-G7 PolarHBondContact O-N 2.96Å
8L93.4Very high86.6Confident15 Ų1566 Ų668%0.07936%0.359CS..  trans-85.7132.4171.1-63.5-178.7000111.6Q5 T12 L13 P151 E152 V155Q5-L8 PolarHBondContact O-N 3.01Å; L8-T12 HydrophobicContact CD2-CG2 3.75Å; L8-L13 HydrophobicContact CB-CD2 3.92Å; L8-L13 HydrophobicContact CB-CG 3.78Å; L8-L13 HydrophobicContact CD1-CD2 3.74Å; L8-L13 HydrophobicContact CD1-CG 4.36Å; L8-L13 HydrophobicContact CG-CD2 4.47Å; L8-P151 VanDerWaalsContact CD2-C 3.43Å; L8-P151 HydrophobicContact CD2-CB 3.54Å; L8-P151 WeakPolarHBondContact CD2-O 3.48Å; L8-P151 HydrophobicContact CG-CB 4.05Å; L8-E152 HydrophobicContact CD2-CG 4.47Å; L8-V155 HydrophobicContact CD1-CG2 4.36Å; L8-V155 HydrophobicContact CD2-CG2 4.13Å
9S94.9Very high87.1Confident36 Ų3667.1 Ų67.125%0.25236%0.361SS..  trans-64.8156.6167.359.50000111.7E11 T12 L13 E152S9-E11 PolarHBondContact O-N 2.73Å; S9-T12 PolarHBondContact O-N 3.29Å; S9-T12 VanDerWaalsContact O-N 3.14Å; S9-T12 WeakPolarHBondContact OG-CB 3.47Å; S9-T12 PolarHBondContact OG-N 3.14Å; S9-T12 PolarHBondContact OG-OG1 3.31Å; S9-T12 VanDerWaalsContact OG-OG1 3.05Å; S9-L13 WeakPolarHBondContact O-CG 3.38Å; S9-L13 PolarHBondContact O-N 3.45Å; S9-E152 VanDerWaalsContact CB-OE1 3.23Å; S9-E152 WeakPolarHBondContact CB-OE1 3.17Å; S9-E152 PolarHBondContact N-OE1 3Å; S9-E152 PolarHBondContact OG-OE1 3.09Å
10P95.3Very high87.6Confident96 Ų9663.7 Ų63.762%0.62334%0.343SS*.Hα-helixtrans-54.6-40.1175.8-26.435.7000113.4L13 E14P10-L13 PolarHBondContact O-N 2.87Å; P10-E14 PolarHBondContact O-N 3.14Å; P10-E14 VanDerWaalsContact O-N 3.09Å
11E95.6Very high88.1Confident141 Ų14165.1 Ų65.166%0.65935%0.351SS*.Hα-helixtrans-63.4-44.1177.8-64.974.6-164.800111S9 E14 K15S9-E11 PolarHBondContact O-N 2.73Å; E11-E14 PolarHBondContact O-N 2.99Å; E11-K15 WeakPolarHBondContact O-CB 3.35Å; E11-K15 PolarHBondContact O-N 3.05Å
12T96.4Very high90.2Very high8 Ų856.2 Ų56.25%0.04931%0.307CS..Hα-helixtrans-73.4-33179.6-61.80000112.5L8 S9 K15 A16 E152 V155 N156L8-T12 HydrophobicContact CD2-CG2 3.75Å; S9-T12 PolarHBondContact O-N 3.29Å; S9-T12 VanDerWaalsContact O-N 3.14Å; S9-T12 WeakPolarHBondContact OG-CB 3.47Å; S9-T12 PolarHBondContact OG-N 3.14Å; S9-T12 PolarHBondContact OG-OG1 3.31Å; S9-T12 VanDerWaalsContact OG-OG1 3.05Å; T12-K15 PolarHBondContact O-N 3.45Å; T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.29Å; T12-E152 WeakPolarHBondContact CB-OE1 3.17Å; T12-E152 WeakPolarHBondContact CB-OE2 3.27Å; T12-E152 VanDerWaalsContact CG2-OE2 3.24Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.4Å; T12-E152 PolarHBondContact OG1-OE1 3.18Å; T12-E152 PolarHBondContact OG1-OE2 3.03Å; T12-V155 HydrophobicContact CG2-CB 3.46Å; T12-V155 VanDerWaalsContact CG2-CB 3.46Å; T12-V155 HydrophobicContact CG2-CG1 3.44Å; T12-V155 VanDerWaalsContact CG2-CG1 3.44Å; T12-V155 HydrophobicContact CG2-CG2 4Å; T12-N156 PolarHBondContact OG1-ND2 3.38Å
13L96.2Very high91.7Very high37 Ų3757.8 Ų57.819%0.19431%0.314CS..Hα-helixtrans-59.3-47.2170.6-78.4168.1000111.3M1 Q5 L8 S9 P10 K15 A16 R17M1-L13 HydrophobicContact SD-CD1 3.92Å; Q5-L13 HydrophobicContact CB-CD2 4.18Å; Q5-L13 HydrophobicContact CG-CD2 4.42Å; L8-L13 HydrophobicContact CB-CD2 3.92Å; L8-L13 HydrophobicContact CB-CG 3.78Å; L8-L13 HydrophobicContact CD1-CD2 3.74Å; L8-L13 HydrophobicContact CD1-CG 4.36Å; L8-L13 HydrophobicContact CG-CD2 4.47Å; S9-L13 WeakPolarHBondContact O-CG 3.38Å; S9-L13 PolarHBondContact O-N 3.45Å; P10-L13 PolarHBondContact O-N 2.87Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 2.53Å; L13-A16 PolarHBondContact O-N 3.14Å; L13-R17 PolarHBondContact O-N 2.75Å
14E96.5Very high92.5Very high86 Ų8653.6 Ų53.640%0.40230%0.299SS..Hα-helixtrans-65.4-39.4178.4-179.160.2-178.200111.4P10 E11 R17 L18P10-E14 PolarHBondContact O-N 3.14Å; P10-E14 VanDerWaalsContact O-N 3.09Å; E11-E14 PolarHBondContact O-N 2.99Å; E14-R17 PolarHBondContact O-N 3.39Å; E14-R17 IonicContact OE1-CZ 3.6Å; E14-R17 IonicContact OE1-NE 2.65Å; E14-R17 IonicContact OE1-NH2 2.72Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 2.89Å; E14-R17 IonicContact OE2-NE 3.5Å; E14-R17 PolarHBondContact OE2-NE 2.71Å; E14-R17 IonicContact OE2-NH2 3.57Å; E14-R17 PolarHBondContact OE2-NH2 3.05Å; E14-L18 HydrophobicContact CG-CD1 3.92Å; E14-L18 HydrophobicContact CG-CG 4.41Å; E14-L18 WeakPolarHBondContact O-CB 3.44Å; E14-L18 WeakPolarHBondContact O-CG 3.43Å; E14-L18 PolarHBondContact O-N 3.35Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.24Å
15K96.9Very high93.5Very high35 Ų3559.9 Ų59.915%0.15233%0.333CS..Hα-helixtrans-62.2-43.3173-173.1177.9179.2-178.90112.5E11 T12 L13 R17 L18 E19 Y114 V155 N156E11-K15 WeakPolarHBondContact O-CB 3.35Å; E11-K15 PolarHBondContact O-N 3.05Å; T12-K15 PolarHBondContact O-N 3.45Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 2.53Å; K15-R17 VanDerWaalsContact C-N 3.32Å; K15-R17 PolarHBondContact O-N 3.42Å; K15-L18 PolarHBondContact O-N 3.35Å; K15-E19 HydrophobicContact CG-CG 4.06Å; K15-E19 VanDerWaalsContact O-CB 3.32Å; K15-E19 WeakPolarHBondContact O-CB 3.18Å; K15-E19 PolarHBondContact O-N 3.32Å; K15-Y114 PolarHBondContact NZ-O 2.86Å; K15-V155 HydrophobicContact CB-CG1 4.42Å; K15-V155 HydrophobicContact CD-CG1 4.41Å; K15-V155 HydrophobicContact CG-CG1 4.34Å; K15-N156 WeakPolarHBondContact CD-OD1 3.31Å; K15-N156 PolarHBondContact NZ-OD1 2.89Å
16A97.3Very high94.3Very high1 Ų161.7 Ų61.71%0.00834%0.344CS..Hα-helixtrans-60.8-44.5177.400000110.7T12 L13 L20 N21 E22 V155T12-A16 WeakPolarHBondContact O-CB 3.38Å; T12-A16 PolarHBondContact O-N 3.29Å; L13-A16 PolarHBondContact O-N 3.14Å; A16-L20 HydrophobicContact CB-CD1 4.43Å; A16-L20 CarbonylContact O-C 3.47Å; A16-L20 WeakPolarHBondContact O-CA 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.29Å; A16-L20 PolarHBondContact O-N 2.71Å; A16-N21 PolarHBondContact O-N 3.48Å; A16-E22 HydrophobicContact CB-CB 3.94Å; A16-E22 PolarHBondContact O-N 2.98Å; A16-V155 HydrophobicContact CB-CG1 3.87Å; A16-V155 HydrophobicContact CB-CG2 4.04Å
17R96.9Very high95.1Very high122 Ų12258.5 Ų58.546%0.4632%0.318SS..Hα-helixtrans-61.1-48.6176.4-167.2-170.369.677.3-3.1112L13 E14 K15 N21L13-R17 PolarHBondContact O-N 2.75Å; E14-R17 PolarHBondContact O-N 3.39Å; E14-R17 IonicContact OE1-CZ 3.6Å; E14-R17 IonicContact OE1-NE 2.65Å; E14-R17 IonicContact OE1-NH2 2.72Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 2.89Å; E14-R17 IonicContact OE2-NE 3.5Å; E14-R17 PolarHBondContact OE2-NE 2.71Å; E14-R17 IonicContact OE2-NH2 3.57Å; E14-R17 PolarHBondContact OE2-NH2 3.05Å; K15-R17 VanDerWaalsContact C-N 3.32Å; K15-R17 PolarHBondContact O-N 3.42Å; R17-N21 WeakPolarHBondContact O-CA 3.33Å; R17-N21 PolarHBondContact O-N 3.34Å
18L97.6Very high95.7Very high104 Ų10460 Ų6055%0.54531%0.309SS..Hα-helixtrans-76.8-41.6-174.6-72.5177.3000114E14 K15E14-L18 HydrophobicContact CG-CD1 3.92Å; E14-L18 HydrophobicContact CG-CG 4.41Å; E14-L18 WeakPolarHBondContact O-CB 3.44Å; E14-L18 WeakPolarHBondContact O-CG 3.43Å; E14-L18 PolarHBondContact O-N 3.35Å; E14-L18 WeakPolarHBondContact OE1-CD1 3.24Å; K15-L18 PolarHBondContact O-N 3.35Å
19E96.8Very high95.9Very high86 Ų8664.9 Ų64.940%0.40233%0.331SS..Hα-helixtrans-97.5-27.8-171.5-63.9-170.7-171.300114.1K15 K62 R194K15-E19 HydrophobicContact CG-CG 4.06Å; K15-E19 VanDerWaalsContact O-CB 3.32Å; K15-E19 WeakPolarHBondContact O-CB 3.18Å; K15-E19 PolarHBondContact O-N 3.32Å; E19-K62 WeakPolarHBondContact O-CD 3.24Å; E19-K62 WeakPolarHBondContact O-CE 3.07Å; E19-K62 PolarHBondContact O-NZ 3.16Å; E19-R194 IonicContact OE2-NH2 2.61Å
20L97.3Very high96Very high0 Ų063.9 Ų63.90%032%0.323CS..Hα-helixtrans-111.8-7.9-174.4-44.4-176.7000113A16 E22 R59 K62 F63 V155A16-L20 HydrophobicContact CB-CD1 4.43Å; A16-L20 CarbonylContact O-C 3.47Å; A16-L20 WeakPolarHBondContact O-CA 3.49Å; A16-L20 WeakPolarHBondContact O-CB 3.29Å; A16-L20 PolarHBondContact O-N 2.71Å; L20-E22 PolarHBondContact O-N 3.36Å; L20-R59 HydrophobicContact CD1-CB 4.16Å; L20-R59 HydrophobicContact CD1-CG 4.29Å; L20-K62 HydrophobicContact CD2-CG 4.07Å; L20-K62 CarbonylContact O-C 2.9Å; L20-K62 WeakPolarHBondContact O-CA 3.39Å; L20-F63 HydrophobicContact CB-CD2 4.35Å; L20-F63 VanDerWaalsContact O-CD2 3.22Å; L20-F63 WeakPolarHBondContact O-CD2 3.12Å; L20-V155 HydrophobicContact CD1-CB 4.32Å; L20-V155 HydrophobicContact CD1-CG1 3.99Å; L20-V155 HydrophobicContact CD1-CG2 4.18Å
21N97.8Very high96.2Very high94 Ų9459.3 Ų59.350%0.50329%0.293SS..  trans61.228.1-173.4-42-63.9000113.2A16 R17 N23 K62A16-N21 PolarHBondContact O-N 3.48Å; R17-N21 WeakPolarHBondContact O-CA 3.33Å; R17-N21 PolarHBondContact O-N 3.34Å; N21-N23 PolarHBondContact O-N 2.8Å; N21-K62 PolarHBondContact ND2-O 2.92Å
22E96.8Very high96.3Very high2 Ų256.2 Ų56.21%0.00928%0.279CS..  trans-68.5117.1175.8-176.6162.115500109.8Q5 A16 L20 L27 R59 F63Q5-E22 PolarHBondContact NE2-OE1 3.44Å; A16-E22 HydrophobicContact CB-CB 3.94Å; A16-E22 PolarHBondContact O-N 2.98Å; L20-E22 PolarHBondContact O-N 3.36Å; E22-L27 HydrophobicContact CG-CD1 4.42Å; E22-R59 IonicContact OE1-CZ 3.5Å; E22-R59 IonicContact OE1-NE 3.7Å; E22-R59 IonicContact OE1-NH2 3.35Å; E22-R59 PolarHBondContact OE1-NH2 3.49Å; E22-R59 IonicContact OE2-CZ 3.03Å; E22-R59 IonicContact OE2-NE 3.47Å; E22-R59 PolarHBondContact OE2-NE 3.27Å; E22-R59 IonicContact OE2-NH2 2.63Å; E22-R59 PolarHBondContact OE2-NH2 2.99Å; E22-F63 HydrophobicContact CB-CD2 4.13Å; E22-F63 HydrophobicContact CB-CE1 4.42Å; E22-F63 HydrophobicContact CB-CE2 3.43Å; E22-F63 VanDerWaalsContact CB-CE2 3.43Å; E22-F63 HydrophobicContact CB-CZ 3.62Å; E22-F63 HydrophobicContact CG-CE1 4.16Å; E22-F63 HydrophobicContact CG-CE2 3.75Å; E22-F63 HydrophobicContact CG-CZ 3.38Å
23N94.9Very high96.3Very high64 Ų6459.2 Ų59.234%0.34229%0.292SS..  trans-110.9115.1176-178.9-1.1000110.1N21 D25 T26 L27N21-N23 PolarHBondContact O-N 2.8Å; N23-D25 PolarHBondContact O-N 2.81Å; N23-D25 VanDerWaalsContact O-N 3.14Å; N23-D25 PolarHBondContact OD1-N 3.48Å; N23-T26 WeakPolarHBondContact CB-OG1 3.29Å; N23-T26 PolarHBondContact O-N 3.47Å; N23-L27 PolarHBondContact O-N 2.96Å
24P91.2Very high96.4Very high48 Ų4857.5 Ų57.531%0.31228%0.283SS..THydrogen-bonded Turntrans-54.1-32.4178.6-2532000114.4
25D93.3Very high96.5Very high149 Ų14956 Ų5680%0.79727%0.274SS*.THydrogen-bonded Turntrans-79-26.1-173.4-61.7-31.6000112.6N23N23-D25 PolarHBondContact O-N 2.81Å; N23-D25 VanDerWaalsContact O-N 3.14Å; N23-D25 PolarHBondContact OD1-N 3.48Å
26T95.3Very high96.5Very high45 Ų4558.4 Ų58.428%0.27629%0.289SS..THydrogen-bonded Turntrans-104.4-3-179.761.30000113.4N23 H28 Q29 D30N23-T26 WeakPolarHBondContact CB-OG1 3.29Å; N23-T26 PolarHBondContact O-N 3.47Å; T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 3.24Å; T26-H28 VanDerWaalsContact O-N 3.12Å; T26-Q29 CarbonylContact O-C 3.6Å; T26-Q29 WeakPolarHBondContact O-CA 3.22Å; T26-Q29 WeakPolarHBondContact O-CB 3.5Å; T26-Q29 PolarHBondContact O-N 2.79Å; T26-D30 PolarHBondContact O-N 2.89Å; T26-D30 PolarHBondContact OG1-OD2 3.18Å
27L94.1Very high96.5Very high0 Ų060.3 Ų60.30%030%0.298CS..Hα-helixtrans-51.5-44.4-169.2-168.762.2000114.5L4 Q5 E22 N23 D30 I31 L55 F63L4-L27 HydrophobicContact CB-CD2 3.61Å; L4-L27 HydrophobicContact CD1-CD2 3.91Å; L4-L27 HydrophobicContact CD1-CG 4.22Å; L4-L27 HydrophobicContact CG-CD2 4.42Å; Q5-L27 HydrophobicContact CG-CD2 4.09Å; E22-L27 HydrophobicContact CG-CD1 4.42Å; N23-L27 PolarHBondContact O-N 2.96Å; L27-D30 PolarHBondContact O-N 3.4Å; L27-I31 HydrophobicContact CG-CD1 4.27Å; L27-I31 WeakPolarHBondContact O-CD1 3.38Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.24Å; L27-I31 VanDerWaalsContact O-N 3.07Å; L27-L55 HydrophobicContact CD1-CD1 3.61Å; L27-F63 HydrophobicContact CD1-CE1 3.64Å; L27-F63 HydrophobicContact CD1-CZ 3.86Å
28H95.5Very high96.4Very high91 Ų9155.7 Ų55.742%0.42128%0.283SS..Hα-helixtrans-68.2-35.9178.7-64.491.6000112.1H3 T26 Q32H3-H28 AromaticContact CE1-NE2 3.96Å; T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 3.24Å; T26-H28 VanDerWaalsContact O-N 3.12Å; H28-Q32 WeakPolarHBondContact O-CB 3.45Å; H28-Q32 PolarHBondContact O-N 3.02Å
29Q97.2Very high96.2Very high117 Ų11757.4 Ų57.455%0.54729%0.291SS..Hα-helixtrans-67.1-45.3174.7-179.8179.3-1100110.4T26 I31 Q32 E33T26-Q29 CarbonylContact O-C 3.6Å; T26-Q29 WeakPolarHBondContact O-CA 3.22Å; T26-Q29 WeakPolarHBondContact O-CB 3.5Å; T26-Q29 PolarHBondContact O-N 2.79Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 2.93Å; Q29-Q32 PolarHBondContact O-N 2.96Å; Q29-E33 HydrophobicContact CG-CG 4.47Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 3.2Å
30D97.9Very high96.2Very high15 Ų1557.6 Ų57.68%0.0830%0.298CS..Hα-helixtrans-58.5-41.3178.9-64.5-44.2000111.9T26 L27 V34 L58 F63 H65T26-D30 PolarHBondContact O-N 2.89Å; T26-D30 PolarHBondContact OG1-OD2 3.18Å; L27-D30 PolarHBondContact O-N 3.4Å; D30-V34 PolarHBondContact O-N 3.02Å; D30-L58 HydrophobicContact CB-CD1 4.14Å; D30-F63 HydrophobicContact CB-CD1 4.1Å; D30-F63 HydrophobicContact CB-CE1 4.34Å; D30-H65 IonicContact OD1-CD2 2.71Å; D30-H65 IonicContact OD1-CE1 2.74Å; D30-H65 IonicContact OD1-NE2 2.8Å; D30-H65 PolarHBondContact OD1-NE2 3.48Å
31I97.9Very high96.1Very high0 Ų060.8 Ų60.80%031%0.311CS..Hα-helixtrans-65.3-44.5174.6-70.3167.1000111L4 L27 Q29 E33 V34 R35 D51 I54 L55 L58L4-I31 HydrophobicContact CD1-CD1 3.71Å; L27-I31 HydrophobicContact CG-CD1 4.27Å; L27-I31 WeakPolarHBondContact O-CD1 3.38Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.24Å; L27-I31 VanDerWaalsContact O-N 3.07Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 2.93Å; I31-E33 VanDerWaalsContact C-N 3.35Å; I31-E33 PolarHBondContact O-N 2.87Å; I31-V34 PolarHBondContact O-N 3.06Å; I31-R35 PolarHBondContact O-N 3.12Å; I31-D51 HydrophobicContact CD1-CB 4Å; I31-D51 HydrophobicContact CG2-CB 4.35Å; I31-D51 WeakPolarHBondContact CG2-OD1 3.34Å; I31-I54 HydrophobicContact CB-CG2 4.37Å; I31-I54 HydrophobicContact CG1-CG2 4.34Å; I31-I54 HydrophobicContact CG2-CB 4.15Å; I31-I54 HydrophobicContact CG2-CD1 4.23Å; I31-I54 HydrophobicContact CG2-CG2 4.01Å; I31-L55 HydrophobicContact CD1-CB 4.48Å; I31-L58 HydrophobicContact CB-CD1 4.43Å; I31-L58 HydrophobicContact CG1-CD1 3.65Å
32Q97.8Very high95.9Very high77 Ų7760.3 Ų60.336%0.3631%0.313SS..Hα-helixtrans-64.4-39.1-179.5-17159.239.300112H28 Q29 V34 R35 D36H28-Q32 WeakPolarHBondContact O-CB 3.45Å; H28-Q32 PolarHBondContact O-N 3.02Å; Q29-Q32 PolarHBondContact O-N 2.96Å; Q32-V34 VanDerWaalsContact C-N 3.31Å; Q32-V34 PolarHBondContact O-N 3.07Å; Q32-R35 CarbonylContact O-C 3.6Å; Q32-R35 WeakPolarHBondContact O-CB 3.37Å; Q32-R35 PolarHBondContact O-N 3.32Å; Q32-R35 VanDerWaalsContact O-N 3.12Å; Q32-D36 PolarHBondContact NE2-OD1 3.47Å; Q32-D36 VanDerWaalsContact O-CG 3.26Å; Q32-D36 PolarHBondContact O-N 2.68Å
33E98.1Very high95.8Very high71 Ų7164.7 Ų64.733%0.33234%0.336SS..Hα-helixtrans-61.5-39.1176.9-73.1-178.4-159.700112.2Q29 I31 M37 H65Q29-E33 HydrophobicContact CG-CG 4.47Å; Q29-E33 PolarHBondContact NE2-OE1 2.89Å; Q29-E33 WeakPolarHBondContact O-CG 3.41Å; Q29-E33 PolarHBondContact O-N 3.2Å; I31-E33 VanDerWaalsContact C-N 3.35Å; I31-E33 PolarHBondContact O-N 2.87Å; E33-M37 WeakPolarHBondContact O-CE 3.27Å; E33-M37 PolarHBondContact O-N 3.45Å; E33-H65 IonicContact OE2-CD2 3.69Å; E33-H65 PolarHBondContact OE2-CD2 3.38Å; E33-H65 IonicContact OE2-CE1 2.81Å; E33-H65 IonicContact OE2-CG 3.91Å; E33-H65 IonicContact OE2-ND1 3.86Å; E33-H65 IonicContact OE2-NE2 3.61Å
34V98.3Very high95.8Very high0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-67.6-41.1173.5175.60000111.3D30 I31 Q32 M37 I54 L58 H65 A68 F69 L72D30-V34 PolarHBondContact O-N 3.02Å; I31-V34 PolarHBondContact O-N 3.06Å; Q32-V34 VanDerWaalsContact C-N 3.31Å; Q32-V34 PolarHBondContact O-N 3.07Å; V34-M37 HydrophobicContact CG2-CE 4.47Å; V34-M37 PolarHBondContact O-N 2.89Å; V34-I54 HydrophobicContact CB-CG2 3.89Å; V34-I54 HydrophobicContact CG1-CG2 3.84Å; V34-L58 HydrophobicContact CG2-CD2 3.68Å; V34-L58 HydrophobicContact CG2-CG 4.14Å; V34-H65 HydrophobicContact CG2-CB 4.2Å; V34-A68 HydrophobicContact CG2-CB 4.12Å; V34-F69 HydrophobicContact CG1-CB 4.2Å; V34-L72 HydrophobicContact CG1-CD2 4.05Å
35R96.9Very high95.8Very high54 Ų5460.5 Ų60.520%0.20432%0.315CS..Hα-helixtrans-63-40.8177.8-174178.1-66117.62.2112.1I31 Q32 M37 V38 T49 D51 I54I31-R35 PolarHBondContact O-N 3.12Å; Q32-R35 CarbonylContact O-C 3.6Å; Q32-R35 WeakPolarHBondContact O-CB 3.37Å; Q32-R35 PolarHBondContact O-N 3.32Å; Q32-R35 VanDerWaalsContact O-N 3.12Å; R35-M37 PolarHBondContact O-N 3.22Å; R35-V38 WeakPolarHBondContact O-CB 3.32Å; R35-V38 WeakPolarHBondContact O-CG2 3.45Å; R35-V38 PolarHBondContact O-N 3.38Å; R35-T49 PolarHBondContact NE-O 3.36Å; R35-T49 PolarHBondContact NH2-O 3.04Å; R35-D51 IonicContact CZ-OD1 3.26Å; R35-D51 IonicContact NH1-OD1 3.82Å; R35-D51 IonicContact NH2-OD1 3.81Å; R35-D51 PolarHBondContact NH2-OD1 3.29Å; R35-I54 HydrophobicContact CB-CD1 3.94Å; R35-I54 HydrophobicContact CG-CD1 4.46Å
36D97.3Very high95.9Very high87 Ų8754.5 Ų54.547%0.46528%0.282SS..Hα-helixtrans-64.3-27.5179.6-70.4-16.9000112Q32 V38 I39Q32-D36 PolarHBondContact NE2-OD1 3.47Å; Q32-D36 VanDerWaalsContact O-CG 3.26Å; Q32-D36 PolarHBondContact O-N 2.68Å; D36-V38 VanDerWaalsContact C-N 3.31Å; D36-V38 PolarHBondContact O-N 3.36Å; D36-I39 WeakPolarHBondContact O-CG1 3.22Å
37M98.1Very high95.7Very high41 Ų4153.5 Ų53.520%0.20227%0.274CS..Hα-helixtrans-73.3-19.8174.7-72.6-174.4-83.400113.6E33 V34 R35 I39 T40 H65 F66 F69E33-M37 WeakPolarHBondContact O-CE 3.27Å; E33-M37 PolarHBondContact O-N 3.45Å; V34-M37 HydrophobicContact CG2-CE 4.47Å; V34-M37 PolarHBondContact O-N 2.89Å; R35-M37 PolarHBondContact O-N 3.22Å; M37-I39 VanDerWaalsContact C-N 3.25Å; M37-I39 PolarHBondContact O-N 2.94Å; M37-T40 WeakPolarHBondContact O-CB 3.34Å; M37-T40 WeakPolarHBondContact O-CG2 3.33Å; M37-T40 PolarHBondContact O-N 3.32Å; M37-T40 PolarHBondContact O-OG1 2.73Å; M37-H65 HydrophobicContact CE-CB 4.03Å; M37-F66 HydrophobicContact SD-CD2 4.13Å; M37-F69 VanDerWaalsContact C-CE2 3.49Å; M37-F69 HydrophobicContact CB-CB 4.24Å; M37-F69 HydrophobicContact CB-CD1 3.79Å; M37-F69 HydrophobicContact CB-CD2 3.62Å; M37-F69 HydrophobicContact CB-CE1 4.02Å; M37-F69 HydrophobicContact CB-CE2 3.89Å; M37-F69 HydrophobicContact CB-CG 3.58Å; M37-F69 HydrophobicContact CB-CZ 4.06Å; M37-F69 HydrophobicContact CE-CB 3.7Å; M37-F69 HydrophobicContact CE-CG 4.3Å; M37-F69 HydrophobicContact CG-CD1 4.47Å; M37-F69 HydrophobicContact CG-CG 4.44Å; M37-F69 WeakPolarHBondContact O-CE2 3.12Å; M37-F69 WeakPolarHBondContact O-CZ 3.29Å; M37-F69 HydrophobicContact SD-CB 4.02Å; M37-F69 HydrophobicContact SD-CD1 4Å; M37-F69 HydrophobicContact SD-CG 4.09Å
38V95.4Very high95.7Very high24 Ų2455.4 Ų55.415%0.14528%0.282CS..Hα-helixtrans-55.9-40.2179.2173.50000111.8R35 D36 T40 R41 F46 T49 F69 L72R35-V38 WeakPolarHBondContact O-CB 3.32Å; R35-V38 WeakPolarHBondContact O-CG2 3.45Å; R35-V38 PolarHBondContact O-N 3.38Å; D36-V38 VanDerWaalsContact C-N 3.31Å; D36-V38 PolarHBondContact O-N 3.36Å; V38-T40 PolarHBondContact O-N 3.41Å; V38-T40 VanDerWaalsContact O-N 3.08Å; V38-R41 PolarHBondContact O-N 3.05Å; V38-R41 VanDerWaalsContact O-N 3.14Å; V38-F46 HydrophobicContact CG1-CB 3.92Å; V38-F46 HydrophobicContact CG1-CD1 4.16Å; V38-F46 HydrophobicContact CG1-CD2 3.42Å; V38-F46 VanDerWaalsContact CG1-CD2 3.42Å; V38-F46 HydrophobicContact CG1-CE2 3.82Å; V38-F46 HydrophobicContact CG1-CG 3.59Å; V38-F46 HydrophobicContact CG1-CZ 4.38Å; V38-F46 HydrophobicContact CG2-CD1 4.4Å; V38-F46 HydrophobicContact CG2-CE1 4.49Å; V38-T49 HydrophobicContact CG2-CG2 4.38Å; V38-F69 HydrophobicContact CG2-CE2 4.37Å; V38-L72 HydrophobicContact CG2-CD2 4.23Å
39I93.3Very high95.7Very high140 Ų14053.3 Ų53.372%0.71828%0.276SS*.THydrogen-bonded Turntrans-64.8-17-17977.3-170.9000113.2D36 M37 R41D36-I39 WeakPolarHBondContact O-CG1 3.22Å; M37-I39 VanDerWaalsContact C-N 3.25Å; M37-I39 PolarHBondContact O-N 2.94Å; I39-R41 VanDerWaalsContact C-N 3.28Å
40T95.6Very high95.6Very high90 Ų9050.7 Ų50.755%0.55227%0.265SS*.THydrogen-bonded Turntrans-79.5-11.7-179.573.50000113M37 V38 P42M37-T40 WeakPolarHBondContact O-CB 3.34Å; M37-T40 WeakPolarHBondContact O-CG2 3.33Å; M37-T40 PolarHBondContact O-N 3.32Å; M37-T40 PolarHBondContact O-OG1 2.73Å; V38-T40 PolarHBondContact O-N 3.41Å; V38-T40 VanDerWaalsContact O-N 3.08Å; T40-P42 VanDerWaalsContact C-CD 3.41Å; T40-P42 WeakPolarHBondContact O-CD 3.22Å
41R95.8Very high95.5Very high68 Ų6852.2 Ų52.226%0.25727%0.273SS..  trans-123.165.1178.4-73.2-64.9-56.7-80.66111.3V38 I39 D43 I44 F46 F69 E77V38-R41 PolarHBondContact O-N 3.05Å; V38-R41 VanDerWaalsContact O-N 3.14Å; I39-R41 VanDerWaalsContact C-N 3.28Å; R41-D43 VanDerWaalsContact C-OD1 3.32Å; R41-D43 WeakPolarHBondContact CA-OD1 3.17Å; R41-D43 IonicContact CZ-OD1 3.75Å; R41-D43 IonicContact CZ-OD2 3.81Å; R41-D43 IonicContact NE-OD1 3.97Å; R41-D43 PolarHBondContact NE-OD1 2.94Å; R41-D43 IonicContact NE-OD2 3.73Å; R41-D43 PolarHBondContact NE-OD2 2.77Å; R41-D43 VanDerWaalsContact NE-OD2 3.17Å; R41-D43 IonicContact NH2-OD1 2.91Å; R41-D43 IonicContact NH2-OD2 2.82Å; R41-D43 PolarHBondContact NH2-OD2 2.82Å; R41-D43 PolarHBondContact O-N 2.9Å; R41-D43 VanDerWaalsContact O-N 3.08Å; R41-I44 HydrophobicContact CB-CD1 4.23Å; R41-I44 HydrophobicContact CB-CG1 4.46Å; R41-I44 VanDerWaalsContact CZ-CD1 3.4Å; R41-I44 PolarHBondContact O-N 3.28Å; R41-I44 VanDerWaalsContact O-N 3.09Å; R41-F46 HydrophobicContact CB-CE2 3.95Å; R41-F46 HydrophobicContact CB-CZ 4.13Å; R41-F46 WeakPolarHBondContact O-CE2 3.42Å; R41-F69 HydrophobicContact CB-CZ 4.3Å; R41-F69 HydrophobicContact CG-CE1 4.35Å; R41-F69 HydrophobicContact CG-CZ 3.83Å; R41-E77 IonicContact CZ-OE1 3.17Å; R41-E77 IonicContact NH2-OE1 3.73Å; R41-E77 PolarHBondContact NH2-OE1 2.94Å
42P93.9Very high95.3Very high84 Ų8454.5 Ų54.555%0.54529%0.292SS..THydrogen-bonded Turntrans-64.9-12.6179.530-37000113.1T40 I44 V285T40-P42 VanDerWaalsContact C-CD 3.41Å; T40-P42 WeakPolarHBondContact O-CD 3.22Å; P42-I44 VanDerWaalsContact C-N 3.27Å; P42-V285 WeakPolarHBondContact O-CG1 3.46Å; P42-V285 VanDerWaalsContact O-CG2 3.24Å; P42-V285 WeakPolarHBondContact O-CG2 3.46Å
43D93.3Very high95.2Very high94 Ų9450.9 Ų50.950%0.50328%0.275SS..THydrogen-bonded Turntrans-74.7-13.3174.759.9-56.7000113.7R41R41-D43 VanDerWaalsContact C-OD1 3.32Å; R41-D43 WeakPolarHBondContact CA-OD1 3.17Å; R41-D43 IonicContact CZ-OD1 3.75Å; R41-D43 IonicContact CZ-OD2 3.81Å; R41-D43 IonicContact NE-OD1 3.97Å; R41-D43 PolarHBondContact NE-OD1 2.94Å; R41-D43 IonicContact NE-OD2 3.73Å; R41-D43 PolarHBondContact NE-OD2 2.77Å; R41-D43 VanDerWaalsContact NE-OD2 3.17Å; R41-D43 IonicContact NH2-OD1 2.91Å; R41-D43 IonicContact NH2-OD2 2.82Å; R41-D43 PolarHBondContact NH2-OD2 2.82Å; R41-D43 PolarHBondContact O-N 2.9Å; R41-D43 VanDerWaalsContact O-N 3.08Å
44I95.1Very high95.2Very high6 Ų647.5 Ų47.53%0.03126%0.259CS..SBendtrans-104.8125.6177.5-61.6177.1000109.5R41 P42 F46 A73 F76 E77R41-I44 HydrophobicContact CB-CD1 4.23Å; R41-I44 HydrophobicContact CB-CG1 4.46Å; R41-I44 VanDerWaalsContact CZ-CD1 3.4Å; R41-I44 PolarHBondContact O-N 3.28Å; R41-I44 VanDerWaalsContact O-N 3.09Å; P42-I44 VanDerWaalsContact C-N 3.27Å; I44-F46 HydrophobicContact CB-CD2 4Å; I44-F46 HydrophobicContact CB-CE2 3.56Å; I44-F46 HydrophobicContact CB-CZ 3.93Å; I44-F46 HydrophobicContact CD1-CZ 4.09Å; I44-F46 HydrophobicContact CG2-CD1 4.25Å; I44-F46 HydrophobicContact CG2-CD2 3.87Å; I44-F46 HydrophobicContact CG2-CE1 4.06Å; I44-F46 HydrophobicContact CG2-CE2 3.72Å; I44-F46 HydrophobicContact CG2-CG 4.16Å; I44-F46 HydrophobicContact CG2-CZ 3.81Å; I44-F46 WeakPolarHBondContact O-CD2 3.37Å; I44-F46 PolarHBondContact O-N 3.38Å; I44-A73 HydrophobicContact CD1-CB 3.68Å; I44-F76 HydrophobicContact CG2-CB 3.51Å; I44-F76 HydrophobicContact CG2-CG 4.49Å; I44-E77 HydrophobicContact CD1-CB 4.22Å
45G92.5Very high95.2Very high17 Ų1747.6 Ų47.618%0.17526%0.26CS..  trans-69.791164.300000112.9L47 F76 Q80 Y281G45-L47 PolarHBondContact O-N 3.39Å; G45-F76 WeakPolarHBondContact O-CD1 3.18Å; G45-Q80 PolarHBondContact O-NE2 3.22Å; G45-Y281 VanDerWaalsContact O-CE1 3.27Å; G45-Y281 WeakPolarHBondContact O-CE1 3.38Å
46F94.5Very high95.2Very high24 Ų2445.6 Ų45.611%0.10525%0.252CS..  trans-79.695.1172.4-64.1-91.6000110.3V38 R41 I44 T49 F69 L72 A73 F76V38-F46 HydrophobicContact CG1-CB 3.92Å; V38-F46 HydrophobicContact CG1-CD1 4.16Å; V38-F46 HydrophobicContact CG1-CD2 3.42Å; V38-F46 VanDerWaalsContact CG1-CD2 3.42Å; V38-F46 HydrophobicContact CG1-CE2 3.82Å; V38-F46 HydrophobicContact CG1-CG 3.59Å; V38-F46 HydrophobicContact CG1-CZ 4.38Å; V38-F46 HydrophobicContact CG2-CD1 4.4Å; V38-F46 HydrophobicContact CG2-CE1 4.49Å; R41-F46 HydrophobicContact CB-CE2 3.95Å; R41-F46 HydrophobicContact CB-CZ 4.13Å; R41-F46 WeakPolarHBondContact O-CE2 3.42Å; I44-F46 HydrophobicContact CB-CD2 4Å; I44-F46 HydrophobicContact CB-CE2 3.56Å; I44-F46 HydrophobicContact CB-CZ 3.93Å; I44-F46 HydrophobicContact CD1-CZ 4.09Å; I44-F46 HydrophobicContact CG2-CD1 4.25Å; I44-F46 HydrophobicContact CG2-CD2 3.87Å; I44-F46 HydrophobicContact CG2-CE1 4.06Å; I44-F46 HydrophobicContact CG2-CE2 3.72Å; I44-F46 HydrophobicContact CG2-CG 4.16Å; I44-F46 HydrophobicContact CG2-CZ 3.81Å; I44-F46 WeakPolarHBondContact O-CD2 3.37Å; I44-F46 PolarHBondContact O-N 3.38Å; F46-T49 HydrophobicContact CB-CG2 4.18Å; F46-F69 HydrophobicContact CE1-CE2 4.34Å; F46-F69 AromaticContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CZ 4.44Å; F46-L72 HydrophobicContact CD1-CG 4.25Å; F46-L72 HydrophobicContact CE1-CD2 4.48Å; F46-L72 HydrophobicContact CE1-CG 4.14Å; F46-A73 HydrophobicContact CE1-CB 4.29Å; F46-A73 HydrophobicContact CZ-CB 4.19Å; F46-F76 HydrophobicContact CB-CD2 4.38Å; F46-F76 HydrophobicContact CB-CE2 4.33Å; F46-F76 AromaticContact CD1-CD2 3.43Å; F46-F76 HydrophobicContact CD1-CD2 3.43Å; F46-F76 VanDerWaalsContact CD1-CD2 3.43Å; F46-F76 AromaticContact CD1-CE2 3.88Å; F46-F76 HydrophobicContact CD1-CE2 3.88Å; F46-F76 HydrophobicContact CD1-CG 4.23Å; F46-F76 HydrophobicContact CE1-CD2 4.11Å; F46-F76 HydrophobicContact CG-CD2 4.21Å
47L92.1Very high95.3Very high23 Ų2341.4 Ų41.412%0.1223%0.23CC..  trans-78.2-20.7-174.1-55.4-176.7000113.9G45 F76 Y276 Y281G45-L47 PolarHBondContact O-N 3.39Å; L47-F76 HydrophobicContact CB-CE1 3.94Å; L47-F76 HydrophobicContact CG-CE1 4.37Å; L47-F76 VanDerWaalsContact N-CE1 3.28Å; L47-Y276 HydrophobicContact CB-CD1 3.91Å; L47-Y276 HydrophobicContact CB-CE1 4.47Å; L47-Y276 HydrophobicContact CD1-CD1 4.24Å; L47-Y281 HydrophobicContact CD1-CD1 4.15Å; L47-Y281 HydrophobicContact CD1-CD2 4.07Å; L47-Y281 HydrophobicContact CD1-CE1 3.64Å; L47-Y281 HydrophobicContact CD1-CE2 3.51Å; L47-Y281 HydrophobicContact CD1-CG 4.37Å; L47-Y281 WeakPolarHBondContact CD1-OH 3.34Å; L47-Y281 HydrophobicContact CD2-CE1 4.39Å; L47-Y281 HydrophobicContact CG-CD1 4.33Å; L47-Y281 HydrophobicContact CG-CE1 3.73Å; L47-Y281 HydrophobicContact CG-CE2 4.49Å
48R93.1Very high95.3Very high40 Ų4039.5 Ų39.515%0.15122%0.221CC..  trans-141128.2-177.2-168.9179.7176.2178.30.7111.3D50 F53 F76 E275 Y276R48-D50 WeakPolarHBondContact CD-OD2 3.3Å; R48-D50 WeakPolarHBondContact CG-OD2 3.48Å; R48-D50 IonicContact CZ-OD2 3.99Å; R48-D50 IonicContact NE-OD1 3.44Å; R48-D50 IonicContact NE-OD2 2.61Å; R48-D50 PolarHBondContact NE-OD2 3.21Å; R48-D50 IonicContact NH2-OD1 2.67Å; R48-D50 IonicContact NH2-OD2 3.75Å; R48-F53 HydrophobicContact CB-CD1 3.98Å; R48-F53 HydrophobicContact CB-CE1 4.1Å; R48-F53 HydrophobicContact CB-CG 4.35Å; R48-F53 HydrophobicContact CG-CB 4.01Å; R48-F53 HydrophobicContact CG-CD1 3.87Å; R48-F53 HydrophobicContact CG-CD2 4.32Å; R48-F53 HydrophobicContact CG-CE1 4.43Å; R48-F53 HydrophobicContact CG-CG 3.8Å; R48-F53 WeakPolarHBondContact O-CD1 3.32Å; R48-F53 VanDerWaalsContact O-CE1 3.26Å; R48-F53 WeakPolarHBondContact O-CE1 3.44Å; R48-F76 HydrophobicContact CB-CZ 4.17Å; R48-F76 WeakPolarHBondContact O-CZ 3.46Å; R48-E275 IonicContact CZ-OE1 3.53Å; R48-E275 IonicContact CZ-OE2 3.28Å; R48-E275 IonicContact NH1-OE1 3.71Å; R48-E275 PolarHBondContact NH1-OE1 3.21Å; R48-E275 IonicContact NH1-OE2 2.89Å; R48-E275 PolarHBondContact NH1-OE2 3.03Å; R48-E275 IonicContact NH2-OE1 3.48Å; R48-Y276 HydrophobicContact CB-CE1 3.65Å; R48-Y276 WeakPolarHBondContact CD-OH 3.45Å
49T95Very high95.4Very high48 Ų4838.5 Ų38.529%0.29421%0.214SC..  trans-146.419.7-176.558.40000113.7R35 V38 F46 I54R35-T49 PolarHBondContact NE-O 3.36Å; R35-T49 PolarHBondContact NH2-O 3.04Å; V38-T49 HydrophobicContact CG2-CG2 4.38Å; F46-T49 HydrophobicContact CB-CG2 4.18Å; T49-I54 VanDerWaalsContact O-CD1 3.26Å; T49-I54 WeakPolarHBondContact O-CD1 3.38Å
50D94.8Very high95.6Very high62 Ų6232 Ų3233%0.33218%0.182SC..  trans-64160.6173.364.395.4000111.9R48 A52 F53 I54R48-D50 WeakPolarHBondContact CD-OD2 3.3Å; R48-D50 WeakPolarHBondContact CG-OD2 3.48Å; R48-D50 IonicContact CZ-OD2 3.99Å; R48-D50 IonicContact NE-OD1 3.44Å; R48-D50 IonicContact NE-OD2 2.61Å; R48-D50 PolarHBondContact NE-OD2 3.21Å; R48-D50 IonicContact NH2-OD1 2.67Å; R48-D50 IonicContact NH2-OD2 3.75Å; D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 3.5Å; D50-A52 PolarHBondContact OD1-N 3.4Å; D50-F53 PolarHBondContact O-N 2.73Å; D50-F53 PolarHBondContact OD1-N 3.17Å; D50-F53 WeakPolarHBondContact OD2-CB 3.43Å; D50-I54 PolarHBondContact O-N 3.04Å
51D96Very high95.8Very high47 Ų4730.1 Ų30.125%0.25117%0.165SC..Hα-helixtrans-57-45.6-173.5-72.72.7000112.5L4 I31 R35 F53 I54 L55L4-D51 HydrophobicContact CD1-CB 4.17Å; L4-D51 HydrophobicContact CD2-CB 3.68Å; I31-D51 HydrophobicContact CD1-CB 4Å; I31-D51 HydrophobicContact CG2-CB 4.35Å; I31-D51 WeakPolarHBondContact CG2-OD1 3.34Å; R35-D51 IonicContact CZ-OD1 3.26Å; R35-D51 IonicContact NH1-OD1 3.82Å; R35-D51 IonicContact NH2-OD1 3.81Å; R35-D51 PolarHBondContact NH2-OD1 3.29Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 2.78Å; D51-I54 PolarHBondContact O-N 2.57Å; D51-L55 VanDerWaalsContact O-CB 3.22Å; D51-L55 WeakPolarHBondContact O-CB 3.23Å; D51-L55 PolarHBondContact O-N 3.25Å
52A94.2Very high95.9Very high48 Ų4830.9 Ų30.940%0.39717%0.17SC..Hα-helixtrans-65-38.8-179.300000111.5D50D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 3.5Å; D50-A52 PolarHBondContact OD1-N 3.4Å
53F96.3Very high96.1Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-66.8-50176.4-174.7-110.8000112.5R48 D50 D51 L55 R56 F57 L72 Y75 F76 Y276R48-F53 HydrophobicContact CB-CD1 3.98Å; R48-F53 HydrophobicContact CB-CE1 4.1Å; R48-F53 HydrophobicContact CB-CG 4.35Å; R48-F53 HydrophobicContact CG-CB 4.01Å; R48-F53 HydrophobicContact CG-CD1 3.87Å; R48-F53 HydrophobicContact CG-CD2 4.32Å; R48-F53 HydrophobicContact CG-CE1 4.43Å; R48-F53 HydrophobicContact CG-CG 3.8Å; R48-F53 WeakPolarHBondContact O-CD1 3.32Å; R48-F53 VanDerWaalsContact O-CE1 3.26Å; R48-F53 WeakPolarHBondContact O-CE1 3.44Å; D50-F53 PolarHBondContact O-N 2.73Å; D50-F53 PolarHBondContact OD1-N 3.17Å; D50-F53 WeakPolarHBondContact OD2-CB 3.43Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 2.78Å; F53-L55 PolarHBondContact O-N 3.4Å; F53-R56 VanDerWaalsContact O-CB 3.3Å; F53-R56 WeakPolarHBondContact O-CB 3.18Å; F53-R56 WeakPolarHBondContact O-CG 3.43Å; F53-R56 PolarHBondContact O-N 2.77Å; F53-R56 VanDerWaalsContact O-N 3.16Å; F53-F57 HydrophobicContact CD1-CE2 4.02Å; F53-F57 HydrophobicContact CD2-CE2 4.27Å; F53-F57 AromaticContact CE1-CE2 3.56Å; F53-F57 HydrophobicContact CE1-CE2 3.56Å; F53-F57 HydrophobicContact CE1-CZ 4.07Å; F53-F57 AromaticContact CE2-CE2 3.79Å; F53-F57 HydrophobicContact CE2-CE2 3.79Å; F53-F57 HydrophobicContact CE2-CZ 4.2Å; F53-F57 HydrophobicContact CG-CE2 4.36Å; F53-F57 AromaticContact CZ-CE2 3.42Å; F53-F57 HydrophobicContact CZ-CE2 3.42Å; F53-F57 VanDerWaalsContact CZ-CE2 3.42Å; F53-F57 AromaticContact CZ-CZ 3.65Å; F53-F57 HydrophobicContact CZ-CZ 3.65Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.42Å; F53-L72 HydrophobicContact CD1-CD1 4.28Å; F53-L72 HydrophobicContact CE1-CD1 3.6Å; F53-L72 HydrophobicContact CZ-CD1 4.37Å; F53-Y75 HydrophobicContact CE2-CE1 4.28Å; F53-Y75 HydrophobicContact CZ-CD1 4.09Å; F53-Y75 AromaticContact CZ-CE1 3.57Å; F53-Y75 HydrophobicContact CZ-CE1 3.57Å; F53-Y75 HydrophobicContact CZ-CE2 4.46Å; F53-Y75 AromaticContact CZ-CZ 3.75Å; F53-F76 AromaticContact CE1-CE2 3.77Å; F53-F76 HydrophobicContact CE1-CE2 3.77Å; F53-F76 AromaticContact CE1-CZ 3.76Å; F53-F76 HydrophobicContact CE1-CZ 3.76Å; F53-F76 HydrophobicContact CZ-CE2 4.31Å; F53-F76 HydrophobicContact CZ-CZ 4.12Å; F53-Y276 WeakPolarHBondContact CD2-OH 3.36Å; F53-Y276 WeakPolarHBondContact CE2-OH 3.19Å; F53-Y276 HydrophobicContact CZ-CE1 4.46Å; F53-Y276 WeakPolarHBondContact CZ-OH 3.36Å
54I97.9Very high96.3Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-60.2-37177.9-70.2-179.5000111.2I31 V34 R35 T49 D50 D51 R56 F57 L58I31-I54 HydrophobicContact CB-CG2 4.37Å; I31-I54 HydrophobicContact CG1-CG2 4.34Å; I31-I54 HydrophobicContact CG2-CB 4.15Å; I31-I54 HydrophobicContact CG2-CD1 4.23Å; I31-I54 HydrophobicContact CG2-CG2 4.01Å; V34-I54 HydrophobicContact CB-CG2 3.89Å; V34-I54 HydrophobicContact CG1-CG2 3.84Å; R35-I54 HydrophobicContact CB-CD1 3.94Å; R35-I54 HydrophobicContact CG-CD1 4.46Å; T49-I54 VanDerWaalsContact O-CD1 3.26Å; T49-I54 WeakPolarHBondContact O-CD1 3.38Å; D50-I54 PolarHBondContact O-N 3.04Å; D51-I54 PolarHBondContact O-N 2.57Å; I54-R56 PolarHBondContact O-N 3.48Å; I54-F57 WeakPolarHBondContact O-CB 3.26Å; I54-F57 PolarHBondContact O-N 3.23Å; I54-L58 HydrophobicContact CG2-CD1 4.14Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 PolarHBondContact O-N 3.33Å; I54-L58 VanDerWaalsContact O-N 3.14Å
55L97.4Very high96.5Very high3 Ų330.1 Ų30.12%0.01616%0.155CC..Hα-helixtrans-59.2-31.8179.6-174.454.6000113L4 L27 I31 D51 F53 F57 L58 R59 F63L4-L55 HydrophobicContact CB-CD2 4.17Å; L27-L55 HydrophobicContact CD1-CD1 3.61Å; I31-L55 HydrophobicContact CD1-CB 4.48Å; D51-L55 VanDerWaalsContact O-CB 3.22Å; D51-L55 WeakPolarHBondContact O-CB 3.23Å; D51-L55 PolarHBondContact O-N 3.25Å; F53-L55 PolarHBondContact O-N 3.4Å; L55-F57 VanDerWaalsContact C-N 3.25Å; L55-F57 PolarHBondContact O-N 3.32Å; L55-L58 HydrophobicContact CD1-CB 4.38Å; L55-L58 HydrophobicContact CD1-CD1 4.48Å; L55-L58 PolarHBondContact O-N 3.33Å; L55-R59 HydrophobicContact CD1-CG 4.18Å; L55-R59 HydrophobicContact CG-CG 4.43Å; L55-R59 WeakPolarHBondContact O-CB 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.1Å; L55-R59 PolarHBondContact O-N 2.93Å; L55-F63 HydrophobicContact CD1-CE1 4.35Å; L55-F63 HydrophobicContact CD1-CZ 3.77Å
56R97.9Very high96.7Very high11 Ų1135.6 Ų35.64%0.04217%0.174CC..Hα-helixtrans-54.9-44172.7-58.3173.5-174.5-178.42110.9F53 I54 A60 E145 Q154 P192F53-R56 VanDerWaalsContact O-CB 3.3Å; F53-R56 WeakPolarHBondContact O-CB 3.18Å; F53-R56 WeakPolarHBondContact O-CG 3.43Å; F53-R56 PolarHBondContact O-N 2.77Å; F53-R56 VanDerWaalsContact O-N 3.16Å; I54-R56 PolarHBondContact O-N 3.48Å; R56-A60 VanDerWaalsContact O-CB 3.25Å; R56-A60 WeakPolarHBondContact O-CB 3.19Å; R56-A60 PolarHBondContact O-N 3.36Å; R56-E145 IonicContact NH1-OE2 3.59Å; R56-Q154 HydrophobicContact CG-CG 4.47Å; R56-P192 HydrophobicContact CB-CB 4.15Å; R56-P192 HydrophobicContact CB-CG 4.17Å
57F98.6Very high96.9Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-73.9-40.7-177.9-62.1-92.3000112.3F53 I54 L55 A60 R61 A68 L71 L72 Y75 P192F53-F57 HydrophobicContact CD1-CE2 4.02Å; F53-F57 HydrophobicContact CD2-CE2 4.27Å; F53-F57 AromaticContact CE1-CE2 3.56Å; F53-F57 HydrophobicContact CE1-CE2 3.56Å; F53-F57 HydrophobicContact CE1-CZ 4.07Å; F53-F57 AromaticContact CE2-CE2 3.79Å; F53-F57 HydrophobicContact CE2-CE2 3.79Å; F53-F57 HydrophobicContact CE2-CZ 4.2Å; F53-F57 HydrophobicContact CG-CE2 4.36Å; F53-F57 AromaticContact CZ-CE2 3.42Å; F53-F57 HydrophobicContact CZ-CE2 3.42Å; F53-F57 VanDerWaalsContact CZ-CE2 3.42Å; F53-F57 AromaticContact CZ-CZ 3.65Å; F53-F57 HydrophobicContact CZ-CZ 3.65Å; F53-F57 VanDerWaalsContact O-CD2 3.23Å; F53-F57 WeakPolarHBondContact O-CD2 3.42Å; I54-F57 WeakPolarHBondContact O-CB 3.26Å; I54-F57 PolarHBondContact O-N 3.23Å; L55-F57 VanDerWaalsContact C-N 3.25Å; L55-F57 PolarHBondContact O-N 3.32Å; F57-A60 PolarHBondContact O-N 3.24Å; F57-R61 WeakPolarHBondContact O-CB 3.45Å; F57-R61 PolarHBondContact O-N 3.33Å; F57-A68 HydrophobicContact CB-CB 4.33Å; F57-L71 HydrophobicContact CD1-CB 4.02Å; F57-L71 HydrophobicContact CD1-CD2 3.87Å; F57-L71 HydrophobicContact CD1-CG 3.64Å; F57-L71 HydrophobicContact CE1-CD2 4.5Å; F57-L71 HydrophobicContact CE1-CG 4.04Å; F57-L72 VanDerWaalsContact CD1-CA 3.5Å; F57-L72 HydrophobicContact CD1-CB 3.85Å; F57-L72 HydrophobicContact CD1-CD1 4.27Å; F57-L72 HydrophobicContact CD2-CD1 3.78Å; F57-L72 HydrophobicContact CE1-CB 4.18Å; F57-L72 HydrophobicContact CE1-CD1 4.04Å; F57-L72 HydrophobicContact CE2-CD1 3.52Å; F57-L72 HydrophobicContact CG-CB 4.06Å; F57-L72 HydrophobicContact CG-CD1 4.16Å; F57-L72 HydrophobicContact CZ-CD1 3.66Å; F57-Y75 HydrophobicContact CE1-CD2 4.17Å; F57-Y75 HydrophobicContact CE1-CG 4.07Å; F57-Y75 HydrophobicContact CZ-CD1 4.27Å; F57-Y75 AromaticContact CZ-CD2 3.87Å; F57-Y75 HydrophobicContact CZ-CD2 3.87Å; F57-Y75 HydrophobicContact CZ-CE2 4.31Å; F57-Y75 AromaticContact CZ-CG 3.82Å; F57-Y75 HydrophobicContact CZ-CG 3.82Å; F57-P192 HydrophobicContact CD1-CB 4.04Å; F57-P192 HydrophobicContact CD1-CG 4.49Å; F57-P192 HydrophobicContact CE1-CB 4.02Å; F57-P192 HydrophobicContact CE1-CG 4.01Å; F57-P192 HydrophobicContact CE2-CG 4.32Å; F57-P192 HydrophobicContact CG-CB 4.34Å; F57-P192 HydrophobicContact CZ-CB 4.33Å; F57-P192 HydrophobicContact CZ-CG 3.92Å
58L98.6Very high97.2Very high0 Ų036.1 Ų36.10%018%0.177CC..Hα-helixtrans-58.8-50.8173.6-77.8168.2000111D30 I31 V34 I54 L55 A60 R61 K62 F63 A68D30-L58 HydrophobicContact CB-CD1 4.14Å; I31-L58 HydrophobicContact CB-CD1 4.43Å; I31-L58 HydrophobicContact CG1-CD1 3.65Å; V34-L58 HydrophobicContact CG2-CD2 3.68Å; V34-L58 HydrophobicContact CG2-CG 4.14Å; I54-L58 HydrophobicContact CG2-CD1 4.14Å; I54-L58 HydrophobicContact CG2-CG 4.45Å; I54-L58 PolarHBondContact O-N 3.33Å; I54-L58 VanDerWaalsContact O-N 3.14Å; L55-L58 HydrophobicContact CD1-CB 4.38Å; L55-L58 HydrophobicContact CD1-CD1 4.48Å; L55-L58 PolarHBondContact O-N 3.33Å; L58-A60 PolarHBondContact O-N 3.39Å; L58-R61 CarbonylContact O-C 3.52Å; L58-R61 VanDerWaalsContact O-C 3.31Å; L58-R61 PolarHBondContact O-N 2.9Å; L58-R61 VanDerWaalsContact O-N 3.09Å; L58-K62 PolarHBondContact O-N 3.43Å; L58-F63 HydrophobicContact CB-CD1 4.3Å; L58-F63 HydrophobicContact CB-CD2 4.47Å; L58-F63 HydrophobicContact CB-CE1 4.21Å; L58-F63 HydrophobicContact CB-CE2 4.38Å; L58-F63 HydrophobicContact CB-CG 4.42Å; L58-F63 HydrophobicContact CB-CZ 4.23Å; L58-F63 HydrophobicContact CD1-CE1 4.34Å; L58-F63 HydrophobicContact CD2-CD1 4.33Å; L58-F63 PolarHBondContact O-N 3.22Å; L58-A68 HydrophobicContact CD2-CB 3.96Å; L58-A68 HydrophobicContact CG-CB 4.33Å
59R98.1Very high97.5Very high3 Ų334.8 Ų34.81%0.01117%0.172CC..Hα-helixtrans-59.9-43.6175.9-73.9175.6172.2156.52.7111.8L20 E22 L55 R61 K62 F63 Q154L20-R59 HydrophobicContact CD1-CB 4.16Å; L20-R59 HydrophobicContact CD1-CG 4.29Å; E22-R59 IonicContact OE1-CZ 3.5Å; E22-R59 IonicContact OE1-NE 3.7Å; E22-R59 IonicContact OE1-NH2 3.35Å; E22-R59 PolarHBondContact OE1-NH2 3.49Å; E22-R59 IonicContact OE2-CZ 3.03Å; E22-R59 IonicContact OE2-NE 3.47Å; E22-R59 PolarHBondContact OE2-NE 3.27Å; E22-R59 IonicContact OE2-NH2 2.63Å; E22-R59 PolarHBondContact OE2-NH2 2.99Å; L55-R59 HydrophobicContact CD1-CG 4.18Å; L55-R59 HydrophobicContact CG-CG 4.43Å; L55-R59 WeakPolarHBondContact O-CB 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.1Å; L55-R59 PolarHBondContact O-N 2.93Å; R59-R61 PolarHBondContact O-N 3.39Å; R59-R61 VanDerWaalsContact O-N 3.17Å; R59-K62 PolarHBondContact O-N 2.97Å; R59-F63 HydrophobicContact CG-CE2 3.98Å; R59-F63 HydrophobicContact CG-CZ 4.42Å; R59-Q154 HydrophobicContact CB-CB 4.49Å
60A97.9Very high97.7Very high5 Ų537.5 Ų37.54%0.04118%0.177CC..Hα-helixtrans-61.5-23.917700000113.9R56 F57 L58 L71 P192R56-A60 VanDerWaalsContact O-CB 3.25Å; R56-A60 WeakPolarHBondContact O-CB 3.19Å; R56-A60 PolarHBondContact O-N 3.36Å; F57-A60 PolarHBondContact O-N 3.24Å; L58-A60 PolarHBondContact O-N 3.39Å; A60-L71 HydrophobicContact CB-CD2 3.81Å; A60-P192 HydrophobicContact CB-CB 4.02Å; A60-P192 WeakPolarHBondContact CB-O 3.34Å
61R98.1Very high97.9Very high49 Ų4934.6 Ų34.619%0.18516%0.161CC..THydrogen-bonded Turntrans-119.120.2-177.7-63.9-65.9-179.9-90.41.8113.6F57 L58 R59 F63 H64 E67 A68 L71F57-R61 WeakPolarHBondContact O-CB 3.45Å; F57-R61 PolarHBondContact O-N 3.33Å; L58-R61 CarbonylContact O-C 3.52Å; L58-R61 VanDerWaalsContact O-C 3.31Å; L58-R61 PolarHBondContact O-N 2.9Å; L58-R61 VanDerWaalsContact O-N 3.09Å; R59-R61 PolarHBondContact O-N 3.39Å; R59-R61 VanDerWaalsContact O-N 3.17Å; R61-F63 PolarHBondContact O-N 3.3Å; R61-H64 WeakPolarHBondContact O-CB 3.31Å; R61-H64 PolarHBondContact O-CD2 3.4Å; R61-H64 PolarHBondContact O-N 3.38Å; R61-H64 VanDerWaalsContact O-N 3.07Å; R61-E67 HydrophobicContact CB-CB 4.1Å; R61-E67 HydrophobicContact CG-CB 4.23Å; R61-A68 HydrophobicContact CB-CB 4.12Å; R61-L71 HydrophobicContact CG-CB 4.34Å; R61-L71 HydrophobicContact CG-CD2 4.11Å
62K97.8Very high98Very high84 Ų8432.4 Ų32.437%0.36515%0.15SC..THydrogen-bonded Turntrans53.240.1174.3-53.3-175.1165.6-143.10113.2E19 L20 N21 L58 R59 H64E19-K62 WeakPolarHBondContact O-CD 3.24Å; E19-K62 WeakPolarHBondContact O-CE 3.07Å; E19-K62 PolarHBondContact O-NZ 3.16Å; L20-K62 HydrophobicContact CD2-CG 4.07Å; L20-K62 CarbonylContact O-C 2.9Å; L20-K62 WeakPolarHBondContact O-CA 3.39Å; N21-K62 PolarHBondContact ND2-O 2.92Å; L58-K62 PolarHBondContact O-N 3.43Å; R59-K62 PolarHBondContact O-N 2.97Å; K62-H64 PolarHBondContact O-N 2.79Å; K62-H64 VanDerWaalsContact O-N 3.08Å
63F98.1Very high98.2Very high13 Ų1330.3 Ų30.36%0.05713%0.132CC..THydrogen-bonded Turntrans59.122.2179.7-71.7-108.8000113.8L20 E22 L27 D30 L55 L58 R59 R61 H65L20-F63 HydrophobicContact CB-CD2 4.35Å; L20-F63 VanDerWaalsContact O-CD2 3.22Å; L20-F63 WeakPolarHBondContact O-CD2 3.12Å; E22-F63 HydrophobicContact CB-CD2 4.13Å; E22-F63 HydrophobicContact CB-CE1 4.42Å; E22-F63 HydrophobicContact CB-CE2 3.43Å; E22-F63 VanDerWaalsContact CB-CE2 3.43Å; E22-F63 HydrophobicContact CB-CZ 3.62Å; E22-F63 HydrophobicContact CG-CE1 4.16Å; E22-F63 HydrophobicContact CG-CE2 3.75Å; E22-F63 HydrophobicContact CG-CZ 3.38Å; L27-F63 HydrophobicContact CD1-CE1 3.64Å; L27-F63 HydrophobicContact CD1-CZ 3.86Å; D30-F63 HydrophobicContact CB-CD1 4.1Å; D30-F63 HydrophobicContact CB-CE1 4.34Å; L55-F63 HydrophobicContact CD1-CE1 4.35Å; L55-F63 HydrophobicContact CD1-CZ 3.77Å; L58-F63 HydrophobicContact CB-CD1 4.3Å; L58-F63 HydrophobicContact CB-CD2 4.47Å; L58-F63 HydrophobicContact CB-CE1 4.21Å; L58-F63 HydrophobicContact CB-CE2 4.38Å; L58-F63 HydrophobicContact CB-CG 4.42Å; L58-F63 HydrophobicContact CB-CZ 4.23Å; L58-F63 HydrophobicContact CD1-CE1 4.34Å; L58-F63 HydrophobicContact CD2-CD1 4.33Å; L58-F63 PolarHBondContact O-N 3.22Å; R59-F63 HydrophobicContact CG-CE2 3.98Å; R59-F63 HydrophobicContact CG-CZ 4.42Å; R61-F63 PolarHBondContact O-N 3.3Å; F63-H65 PolarHBondContact O-CE1 3.01Å; F63-H65 PolarHBondContact O-N 3.4Å; F63-H65 PolarHBondContact O-ND1 3.14Å
64H98.4Very high98.3Very high109 Ų10932.7 Ų32.751%0.50514%0.143SC..  trans-78.797.3163.9-64.8-57.3000108.9R61 K62 F66 E67 A68R61-H64 WeakPolarHBondContact O-CB 3.31Å; R61-H64 PolarHBondContact O-CD2 3.4Å; R61-H64 PolarHBondContact O-N 3.38Å; R61-H64 VanDerWaalsContact O-N 3.07Å; K62-H64 PolarHBondContact O-N 2.79Å; K62-H64 VanDerWaalsContact O-N 3.08Å; H64-F66 PolarHBondContact O-N 3.48Å; H64-E67 HydrophobicContact CB-CB 3.96Å; H64-E67 HydrophobicContact CB-CG 4.19Å; H64-E67 WeakPolarHBondContact O-CB 3.26Å; H64-E67 PolarHBondContact O-N 2.97Å; H64-A68 PolarHBondContact O-N 3.31Å
65H98.4Very high98.3Very high47 Ų4732.7 Ų32.722%0.21814%0.143CC..Hα-helixtrans-54.1-48.5-168.5-49.678.2000113.4D30 E33 V34 M37 F63 E67 A68 F69D30-H65 IonicContact OD1-CD2 2.71Å; D30-H65 IonicContact OD1-CE1 2.74Å; D30-H65 IonicContact OD1-NE2 2.8Å; D30-H65 PolarHBondContact OD1-NE2 3.48Å; E33-H65 IonicContact OE2-CD2 3.69Å; E33-H65 PolarHBondContact OE2-CD2 3.38Å; E33-H65 IonicContact OE2-CE1 2.81Å; E33-H65 IonicContact OE2-CG 3.91Å; E33-H65 IonicContact OE2-ND1 3.86Å; E33-H65 IonicContact OE2-NE2 3.61Å; V34-H65 HydrophobicContact CG2-CB 4.2Å; M37-H65 HydrophobicContact CE-CB 4.03Å; F63-H65 PolarHBondContact O-CE1 3.01Å; F63-H65 PolarHBondContact O-N 3.4Å; F63-H65 PolarHBondContact O-ND1 3.14Å; H65-E67 VanDerWaalsContact C-N 3.31Å; H65-E67 PolarHBondContact O-N 2.89Å; H65-A68 WeakPolarHBondContact O-CB 3.31Å; H65-A68 PolarHBondContact O-N 2.94Å; H65-F69 WeakPolarHBondContact O-CB 3.47Å; H65-F69 PolarHBondContact O-N 3.47Å
66F98.4Very high98.3Very high131 Ų13132.5 Ų32.558%0.57514%0.143SC*.Hα-helixtrans-62.8-38.3179.5-177.2-101.4000112.5M37 H64 R70M37-F66 HydrophobicContact SD-CD2 4.13Å; H64-F66 PolarHBondContact O-N 3.48Å; F66-R70 WeakPolarHBondContact O-CB 3.35Å; F66-R70 PolarHBondContact O-N 3.22Å
67E98.5Very high98.3Very high58 Ų5834.7 Ų34.727%0.27115%0.153SC..Hα-helixtrans-71.5-36.3177.7-70.7-65142.900112.1R61 H64 H65 R70 L71R61-E67 HydrophobicContact CB-CB 4.1Å; R61-E67 HydrophobicContact CG-CB 4.23Å; H64-E67 HydrophobicContact CB-CB 3.96Å; H64-E67 HydrophobicContact CB-CG 4.19Å; H64-E67 WeakPolarHBondContact O-CB 3.26Å; H64-E67 PolarHBondContact O-N 2.97Å; H65-E67 VanDerWaalsContact C-N 3.31Å; H65-E67 PolarHBondContact O-N 2.89Å; E67-R70 PolarHBondContact O-N 3.29Å; E67-R70 IonicContact OE1-CZ 3.83Å; E67-R70 IonicContact OE1-NE 3.97Å; E67-R70 IonicContact OE1-NH2 3.72Å; E67-R70 PolarHBondContact OE1-NH2 2.89Å; E67-R70 IonicContact OE2-CZ 3.53Å; E67-R70 VanDerWaalsContact OE2-CZ 3.23Å; E67-R70 IonicContact OE2-NE 3.13Å; E67-R70 PolarHBondContact OE2-NE 3.35Å; E67-R70 IonicContact OE2-NH2 3.98Å; E67-R70 PolarHBondContact OE2-NH2 3.18Å; E67-L71 PolarHBondContact O-N 2.97Å
68A98.6Very high98.2Very high0 Ų035 Ų350%016%0.155CC..Hα-helixtrans-63.1-47.9172.500000110.9V34 F57 L58 R61 H64 H65 R70 L71 L72V34-A68 HydrophobicContact CG2-CB 4.12Å; F57-A68 HydrophobicContact CB-CB 4.33Å; L58-A68 HydrophobicContact CD2-CB 3.96Å; L58-A68 HydrophobicContact CG-CB 4.33Å; R61-A68 HydrophobicContact CB-CB 4.12Å; H64-A68 PolarHBondContact O-N 3.31Å; H65-A68 WeakPolarHBondContact O-CB 3.31Å; H65-A68 PolarHBondContact O-N 2.94Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-L71 PolarHBondContact O-N 3.01Å; A68-L72 WeakPolarHBondContact O-CB 3.24Å; A68-L72 PolarHBondContact O-N 3.09Å
69F98.7Very high98.1Very high13 Ų1335.3 Ų35.36%0.05716%0.156CC..Hα-helixtrans-59.3-44.3173.7171.2-112.2000112V34 M37 V38 R41 F46 H65 L71 L72 A73V34-F69 HydrophobicContact CG1-CB 4.2Å; M37-F69 VanDerWaalsContact C-CE2 3.49Å; M37-F69 HydrophobicContact CB-CB 4.24Å; M37-F69 HydrophobicContact CB-CD1 3.79Å; M37-F69 HydrophobicContact CB-CD2 3.62Å; M37-F69 HydrophobicContact CB-CE1 4.02Å; M37-F69 HydrophobicContact CB-CE2 3.89Å; M37-F69 HydrophobicContact CB-CG 3.58Å; M37-F69 HydrophobicContact CB-CZ 4.06Å; M37-F69 HydrophobicContact CE-CB 3.7Å; M37-F69 HydrophobicContact CE-CG 4.3Å; M37-F69 HydrophobicContact CG-CD1 4.47Å; M37-F69 HydrophobicContact CG-CG 4.44Å; M37-F69 WeakPolarHBondContact O-CE2 3.12Å; M37-F69 WeakPolarHBondContact O-CZ 3.29Å; M37-F69 HydrophobicContact SD-CB 4.02Å; M37-F69 HydrophobicContact SD-CD1 4Å; M37-F69 HydrophobicContact SD-CG 4.09Å; V38-F69 HydrophobicContact CG2-CE2 4.37Å; R41-F69 HydrophobicContact CB-CZ 4.3Å; R41-F69 HydrophobicContact CG-CE1 4.35Å; R41-F69 HydrophobicContact CG-CZ 3.83Å; F46-F69 HydrophobicContact CE1-CE2 4.34Å; F46-F69 AromaticContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CE2 3.98Å; F46-F69 HydrophobicContact CZ-CZ 4.44Å; H65-F69 WeakPolarHBondContact O-CB 3.47Å; H65-F69 PolarHBondContact O-N 3.47Å; F69-L71 VanDerWaalsContact C-N 3.3Å; F69-L71 PolarHBondContact O-N 3.03Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.26Å; F69-L72 VanDerWaalsContact O-N 3.16Å; F69-A73 WeakPolarHBondContact O-CB 3.44Å; F69-A73 PolarHBondContact O-N 2.83Å
70R98.5Very high98Very high105 Ų10537.4 Ų37.440%0.39617%0.165SC..Hα-helixtrans-59.3-41.3176.9-174.1174.770.5162.70112F66 E67 A68 Q74F66-R70 WeakPolarHBondContact O-CB 3.35Å; F66-R70 PolarHBondContact O-N 3.22Å; E67-R70 PolarHBondContact O-N 3.29Å; E67-R70 IonicContact OE1-CZ 3.83Å; E67-R70 IonicContact OE1-NE 3.97Å; E67-R70 IonicContact OE1-NH2 3.72Å; E67-R70 PolarHBondContact OE1-NH2 2.89Å; E67-R70 IonicContact OE2-CZ 3.53Å; E67-R70 VanDerWaalsContact OE2-CZ 3.23Å; E67-R70 IonicContact OE2-NE 3.13Å; E67-R70 PolarHBondContact OE2-NE 3.35Å; E67-R70 IonicContact OE2-NH2 3.98Å; E67-R70 PolarHBondContact OE2-NH2 3.18Å; A68-R70 PolarHBondContact O-N 3.45Å; R70-Q74 WeakPolarHBondContact O-CB 3.47Å; R70-Q74 VanDerWaalsContact O-CG 3.25Å; R70-Q74 WeakPolarHBondContact O-CG 3.4Å; R70-Q74 PolarHBondContact O-N 2.61Å
71L98.7Very high97.8Very high1 Ų143.4 Ų43.41%0.00519%0.193CC..Hα-helixtrans-66.7-41.9175-178.758.5000111.8F57 A60 R61 E67 A68 F69 A73 Q74 Y75 D189 P192F57-L71 HydrophobicContact CD1-CB 4.02Å; F57-L71 HydrophobicContact CD1-CD2 3.87Å; F57-L71 HydrophobicContact CD1-CG 3.64Å; F57-L71 HydrophobicContact CE1-CD2 4.5Å; F57-L71 HydrophobicContact CE1-CG 4.04Å; A60-L71 HydrophobicContact CB-CD2 3.81Å; R61-L71 HydrophobicContact CG-CB 4.34Å; R61-L71 HydrophobicContact CG-CD2 4.11Å; E67-L71 PolarHBondContact O-N 2.97Å; A68-L71 PolarHBondContact O-N 3.01Å; F69-L71 VanDerWaalsContact C-N 3.3Å; F69-L71 PolarHBondContact O-N 3.03Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-Q74 PolarHBondContact O-N 3.17Å; L71-Y75 WeakPolarHBondContact O-CB 3.46Å; L71-Y75 PolarHBondContact O-N 2.81Å; L71-D189 WeakPolarHBondContact CD1-O 3.42Å; L71-P192 HydrophobicContact CD2-CB 4.12Å
72L98.6Very high97.7Very high0 Ų043 Ų430%019%0.194CC..Hα-helixtrans-59.3-45.8175.6179.565.6000111.4V34 V38 F46 F53 F57 A68 F69 Y75 F76V34-L72 HydrophobicContact CG1-CD2 4.05Å; V38-L72 HydrophobicContact CG2-CD2 4.23Å; F46-L72 HydrophobicContact CD1-CG 4.25Å; F46-L72 HydrophobicContact CE1-CD2 4.48Å; F46-L72 HydrophobicContact CE1-CG 4.14Å; F53-L72 HydrophobicContact CD1-CD1 4.28Å; F53-L72 HydrophobicContact CE1-CD1 3.6Å; F53-L72 HydrophobicContact CZ-CD1 4.37Å; F57-L72 VanDerWaalsContact CD1-CA 3.5Å; F57-L72 HydrophobicContact CD1-CB 3.85Å; F57-L72 HydrophobicContact CD1-CD1 4.27Å; F57-L72 HydrophobicContact CD2-CD1 3.78Å; F57-L72 HydrophobicContact CE1-CB 4.18Å; F57-L72 HydrophobicContact CE1-CD1 4.04Å; F57-L72 HydrophobicContact CE2-CD1 3.52Å; F57-L72 HydrophobicContact CG-CB 4.06Å; F57-L72 HydrophobicContact CG-CD1 4.16Å; F57-L72 HydrophobicContact CZ-CD1 3.66Å; A68-L72 WeakPolarHBondContact O-CB 3.24Å; A68-L72 PolarHBondContact O-N 3.09Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.26Å; F69-L72 VanDerWaalsContact O-N 3.16Å; L72-Y75 WeakPolarHBondContact O-CB 3.25Å; L72-Y75 PolarHBondContact O-N 3.44Å; L72-F76 HydrophobicContact CD1-CD2 4.04Å; L72-F76 HydrophobicContact CD1-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 4.38Å; L72-F76 HydrophobicContact CG-CE2 4.34Å; L72-F76 WeakPolarHBondContact O-CD2 3.37Å; L72-F76 PolarHBondContact O-N 3.12Å
73A98.4Very high97.5Very high4 Ų441.4 Ų41.43%0.03319%0.19CC..Hα-helixtrans-60.6-46.9174.300000111.4I44 F46 F69 L71 Y75 F76 E77I44-A73 HydrophobicContact CD1-CB 3.68Å; F46-A73 HydrophobicContact CE1-CB 4.29Å; F46-A73 HydrophobicContact CZ-CB 4.19Å; F69-A73 WeakPolarHBondContact O-CB 3.44Å; F69-A73 PolarHBondContact O-N 2.83Å; L71-A73 VanDerWaalsContact C-N 3.35Å; A73-Y75 VanDerWaalsContact C-N 3.3Å; A73-Y75 PolarHBondContact O-N 3.15Å; A73-F76 PolarHBondContact O-N 3.44Å; A73-E77 WeakPolarHBondContact O-CB 3.28Å; A73-E77 PolarHBondContact O-N 3.15Å
74Q98.4Very high97.2Very high50 Ų5047.9 Ų47.923%0.23422%0.224CC..Hα-helixtrans-62.9-32.9178.1-76172.2-5.200113.2R70 L71 Y78 D189 S190R70-Q74 WeakPolarHBondContact O-CB 3.47Å; R70-Q74 VanDerWaalsContact O-CG 3.25Å; R70-Q74 WeakPolarHBondContact O-CG 3.4Å; R70-Q74 PolarHBondContact O-N 2.61Å; L71-Q74 PolarHBondContact O-N 3.17Å; Q74-Y78 WeakPolarHBondContact O-CB 3.18Å; Q74-Y78 PolarHBondContact O-N 2.72Å; Q74-D189 PolarHBondContact OE1-O 2.61Å; Q74-S190 WeakPolarHBondContact O-CB 3.49Å; Q74-S190 PolarHBondContact O-OG 3.38Å
75Y98.4Very high97Very high0 Ų043.1 Ų43.10%020%0.203CC..Hα-helixtrans-62-47.3175.1174.6-84.9000112.1F53 F57 L71 L72 A73 R79 E145 S190 Y276F53-Y75 HydrophobicContact CE2-CE1 4.28Å; F53-Y75 HydrophobicContact CZ-CD1 4.09Å; F53-Y75 AromaticContact CZ-CE1 3.57Å; F53-Y75 HydrophobicContact CZ-CE1 3.57Å; F53-Y75 HydrophobicContact CZ-CE2 4.46Å; F53-Y75 AromaticContact CZ-CZ 3.75Å; F57-Y75 HydrophobicContact CE1-CD2 4.17Å; F57-Y75 HydrophobicContact CE1-CG 4.07Å; F57-Y75 HydrophobicContact CZ-CD1 4.27Å; F57-Y75 AromaticContact CZ-CD2 3.87Å; F57-Y75 HydrophobicContact CZ-CD2 3.87Å; F57-Y75 HydrophobicContact CZ-CE2 4.31Å; F57-Y75 AromaticContact CZ-CG 3.82Å; F57-Y75 HydrophobicContact CZ-CG 3.82Å; L71-Y75 WeakPolarHBondContact O-CB 3.46Å; L71-Y75 PolarHBondContact O-N 2.81Å; L72-Y75 WeakPolarHBondContact O-CB 3.25Å; L72-Y75 PolarHBondContact O-N 3.44Å; A73-Y75 VanDerWaalsContact C-N 3.3Å; A73-Y75 PolarHBondContact O-N 3.15Å; Y75-R79 VanDerWaalsContact CE2-CZ 3.46Å; Y75-R79 PolarHBondContact O-N 3.29Å; Y75-R79 PolarHBondContact O-NH1 2.97Å; Y75-R79 VanDerWaalsContact OH-CZ 3.24Å; Y75-R79 PolarHBondContact OH-NH2 3.39Å; Y75-E145 WeakPolarHBondContact CE2-OE1 3.16Å; Y75-E145 PolarHBondContact OH-OE1 2.96Å; Y75-S190 VanDerWaalsContact CA-O 3.27Å; Y75-S190 WeakPolarHBondContact CA-O 3.33Å; Y75-S190 WeakPolarHBondContact CB-O 3.44Å; Y75-S190 VanDerWaalsContact CD2-O 3.24Å; Y75-S190 WeakPolarHBondContact CD2-O 3.5Å; Y75-Y276 HydrophobicContact CE1-CE1 4.06Å; Y75-Y276 PolarHBondContact OH-OH 3.04Å
76F97.4Very high96.7Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-77.4-39.8-178.8-79-67.8000112.7I44 G45 F46 L47 R48 F53 L72 A73 Y78 R79 Q80 Y276 Y281I44-F76 HydrophobicContact CG2-CB 3.51Å; I44-F76 HydrophobicContact CG2-CG 4.49Å; G45-F76 WeakPolarHBondContact O-CD1 3.18Å; F46-F76 HydrophobicContact CB-CD2 4.38Å; F46-F76 HydrophobicContact CB-CE2 4.33Å; F46-F76 AromaticContact CD1-CD2 3.43Å; F46-F76 HydrophobicContact CD1-CD2 3.43Å; F46-F76 VanDerWaalsContact CD1-CD2 3.43Å; F46-F76 AromaticContact CD1-CE2 3.88Å; F46-F76 HydrophobicContact CD1-CE2 3.88Å; F46-F76 HydrophobicContact CD1-CG 4.23Å; F46-F76 HydrophobicContact CE1-CD2 4.11Å; F46-F76 HydrophobicContact CG-CD2 4.21Å; L47-F76 HydrophobicContact CB-CE1 3.94Å; L47-F76 HydrophobicContact CG-CE1 4.37Å; L47-F76 VanDerWaalsContact N-CE1 3.28Å; R48-F76 HydrophobicContact CB-CZ 4.17Å; R48-F76 WeakPolarHBondContact O-CZ 3.46Å; F53-F76 AromaticContact CE1-CE2 3.77Å; F53-F76 HydrophobicContact CE1-CE2 3.77Å; F53-F76 AromaticContact CE1-CZ 3.76Å; F53-F76 HydrophobicContact CE1-CZ 3.76Å; F53-F76 HydrophobicContact CZ-CE2 4.31Å; F53-F76 HydrophobicContact CZ-CZ 4.12Å; L72-F76 HydrophobicContact CD1-CD2 4.04Å; L72-F76 HydrophobicContact CD1-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 4.38Å; L72-F76 HydrophobicContact CG-CE2 4.34Å; L72-F76 WeakPolarHBondContact O-CD2 3.37Å; L72-F76 PolarHBondContact O-N 3.12Å; A73-F76 PolarHBondContact O-N 3.44Å; F76-Y78 VanDerWaalsContact C-N 3.32Å; F76-Y78 PolarHBondContact O-N 3.27Å; F76-R79 WeakPolarHBondContact O-CB 3.25Å; F76-R79 PolarHBondContact O-N 3.31Å; F76-Q80 WeakPolarHBondContact O-CG 3.21Å; F76-Q80 PolarHBondContact O-N 3.18Å; F76-Q80 PolarHBondContact O-NE2 3.07Å; F76-Y276 AromaticContact CE1-CD1 3.78Å; F76-Y276 HydrophobicContact CE1-CD1 3.78Å; F76-Y276 AromaticContact CE1-CE1 3.49Å; F76-Y276 HydrophobicContact CE1-CE1 3.49Å; F76-Y276 VanDerWaalsContact CE1-CE1 3.49Å; F76-Y276 HydrophobicContact CZ-CD1 4.48Å; F76-Y276 AromaticContact CZ-CE1 3.77Å; F76-Y276 HydrophobicContact CZ-CE1 3.77Å; F76-Y281 HydrophobicContact CD1-CE1 4.16Å; F76-Y281 VanDerWaalsContact CD1-OH 3.28Å; F76-Y281 WeakPolarHBondContact CD1-OH 3.39Å
77E97.1Very high96.2Very high57 Ų5741.1 Ų41.127%0.26619%0.193SC..Hα-helixtrans-63-40176.5-172.8173-107.700111.1R41 I44 A73 R79 Q80 Q81R41-E77 IonicContact CZ-OE1 3.17Å; R41-E77 IonicContact NH2-OE1 3.73Å; R41-E77 PolarHBondContact NH2-OE1 2.94Å; I44-E77 HydrophobicContact CD1-CB 4.22Å; A73-E77 WeakPolarHBondContact O-CB 3.28Å; A73-E77 PolarHBondContact O-N 3.15Å; E77-R79 VanDerWaalsContact C-N 3.31Å; E77-R79 PolarHBondContact O-N 3.43Å; E77-Q80 PolarHBondContact O-N 3.39Å; E77-Q81 HydrophobicContact CG-CG 4.46Å; E77-Q81 VanDerWaalsContact CG-NE2 3.34Å; E77-Q81 WeakPolarHBondContact O-CB 3.38Å; E77-Q81 VanDerWaalsContact O-CG 3.28Å; E77-Q81 WeakPolarHBondContact O-CG 3.39Å; E77-Q81 PolarHBondContact O-N 3.28Å
78Y97.5Very high95.7Very high7 Ų740.6 Ų40.63%0.02720%0.196CC..Hα-helixtrans-61.3-38.5174.1-179.1-101.6000112.6Q74 F76 N82 M85 F86 L141 L182 E185 G186 S190Q74-Y78 WeakPolarHBondContact O-CB 3.18Å; Q74-Y78 PolarHBondContact O-N 2.72Å; F76-Y78 VanDerWaalsContact C-N 3.32Å; F76-Y78 PolarHBondContact O-N 3.27Å; Y78-N82 WeakPolarHBondContact O-CB 3.29Å; Y78-N82 PolarHBondContact O-N 3.14Å; Y78-N82 PolarHBondContact O-ND2 3.19Å; Y78-M85 HydrophobicContact CD1-CE 4.36Å; Y78-M85 HydrophobicContact CE1-CE 3.33Å; Y78-M85 WeakPolarHBondContact OH-CE 3.4Å; Y78-F86 AromaticContact CD1-CE2 3.75Å; Y78-F86 HydrophobicContact CD1-CE2 3.75Å; Y78-F86 AromaticContact CD1-CZ 3.71Å; Y78-F86 HydrophobicContact CD1-CZ 3.71Å; Y78-F86 AromaticContact CE1-CE2 3.79Å; Y78-F86 HydrophobicContact CE1-CE2 3.79Å; Y78-F86 AromaticContact CE1-CZ 3.64Å; Y78-F86 HydrophobicContact CE1-CZ 3.64Å; Y78-L141 HydrophobicContact CE1-CD1 4.31Å; Y78-L182 HydrophobicContact CE2-CD1 3.8Å; Y78-L182 WeakPolarHBondContact OH-CD1 3.24Å; Y78-L182 PolarHBondContact OH-O 3.49Å; Y78-E185 HydrophobicContact CD2-CB 4.42Å; Y78-E185 HydrophobicContact CE2-CB 4.07Å; Y78-G186 WeakPolarHBondContact OH-CA 3.44Å; Y78-S190 VanDerWaalsContact CB-OG 3.27Å; Y78-S190 WeakPolarHBondContact CB-OG 3.4Å
79R96.3Very high95.4Very high6 Ų640.6 Ų40.62%0.02320%0.196CC..Hα-helixtrans-64.8-47.2173.4-74.9176168.670.4-2.7111.9Y75 F76 E77 Q81 N82 L83 F86 E145 Y281Y75-R79 VanDerWaalsContact CE2-CZ 3.46Å; Y75-R79 PolarHBondContact O-N 3.29Å; Y75-R79 PolarHBondContact O-NH1 2.97Å; Y75-R79 VanDerWaalsContact OH-CZ 3.24Å; Y75-R79 PolarHBondContact OH-NH2 3.39Å; F76-R79 WeakPolarHBondContact O-CB 3.25Å; F76-R79 PolarHBondContact O-N 3.31Å; E77-R79 VanDerWaalsContact C-N 3.31Å; E77-R79 PolarHBondContact O-N 3.43Å; R79-Q81 VanDerWaalsContact C-N 3.3Å; R79-Q81 PolarHBondContact O-N 2.98Å; R79-N82 CarbonylContact O-C 3.37Å; R79-N82 PolarHBondContact O-N 3.09Å; R79-N82 VanDerWaalsContact O-N 3.14Å; R79-L83 PolarHBondContact O-N 2.65Å; R79-F86 HydrophobicContact CB-CD2 4.05Å; R79-F86 HydrophobicContact CB-CE2 4.13Å; R79-F86 HydrophobicContact CB-CG 4.47Å; R79-F86 HydrophobicContact CG-CD1 4Å; R79-F86 HydrophobicContact CG-CD2 3.77Å; R79-F86 HydrophobicContact CG-CE1 3.85Å; R79-F86 HydrophobicContact CG-CE2 3.59Å; R79-F86 HydrophobicContact CG-CG 3.95Å; R79-F86 HydrophobicContact CG-CZ 3.63Å; R79-E145 IonicContact CZ-OE1 3.31Å; R79-E145 IonicContact NH2-OE1 3.38Å; R79-E145 PolarHBondContact NH2-OE1 3.47Å; R79-Y281 HydrophobicContact CB-CE2 3.98Å; R79-Y281 WeakPolarHBondContact CD-OH 3.48Å
80Q94.6Very high95.1Very high46 Ų4643.2 Ų43.222%0.21521%0.207CC..Hα-helixtrans-61.3-36.8178.6-75.8165.848.800113.4G45 F76 E77 N82 L83 Y281G45-Q80 PolarHBondContact O-NE2 3.22Å; F76-Q80 WeakPolarHBondContact O-CG 3.21Å; F76-Q80 PolarHBondContact O-N 3.18Å; F76-Q80 PolarHBondContact O-NE2 3.07Å; E77-Q80 PolarHBondContact O-N 3.39Å; Q80-N82 VanDerWaalsContact C-N 3.31Å; Q80-L83 WeakPolarHBondContact O-CG 3.47Å; Q80-Y281 HydrophobicContact CB-CD1 4.46Å; Q80-Y281 HydrophobicContact CG-CD1 3.1Å; Q80-Y281 HydrophobicContact CG-CE1 3.57Å; Q80-Y281 HydrophobicContact CG-CG 3.68Å
81Q95.4Very high94.9Very high131 Ų13138.3 Ų38.361%0.61219%0.189SC*.Hα-helixtrans-79.7-14.9179.9-69.5174.5100113E77 R79E77-Q81 HydrophobicContact CG-CG 4.46Å; E77-Q81 VanDerWaalsContact CG-NE2 3.34Å; E77-Q81 WeakPolarHBondContact O-CB 3.38Å; E77-Q81 VanDerWaalsContact O-CG 3.28Å; E77-Q81 WeakPolarHBondContact O-CG 3.39Å; E77-Q81 PolarHBondContact O-N 3.28Å; R79-Q81 VanDerWaalsContact C-N 3.3Å; R79-Q81 PolarHBondContact O-N 2.98Å
82N95.6Very high94.6Very high41 Ų4141.3 Ų41.322%0.21921%0.207CC..THydrogen-bonded Turntrans-130.642.3-174.2-59.2-79.9000112.1Y78 R79 Q80 D84 M85 F86 L182Y78-N82 WeakPolarHBondContact O-CB 3.29Å; Y78-N82 PolarHBondContact O-N 3.14Å; Y78-N82 PolarHBondContact O-ND2 3.19Å; R79-N82 CarbonylContact O-C 3.37Å; R79-N82 PolarHBondContact O-N 3.09Å; R79-N82 VanDerWaalsContact O-N 3.14Å; Q80-N82 VanDerWaalsContact C-N 3.31Å; N82-D84 PolarHBondContact O-N 3.47Å; N82-D84 VanDerWaalsContact O-N 3.12Å; N82-M85 HydrophobicContact CB-CB 4.34Å; N82-M85 HydrophobicContact CB-CE 4.33Å; N82-M85 WeakPolarHBondContact O-CB 3.27Å; N82-M85 PolarHBondContact O-N 2.9Å; N82-F86 HydrophobicContact CB-CD2 4.45Å; N82-F86 HydrophobicContact CB-CE2 4.33Å; N82-F86 WeakPolarHBondContact O-CD2 3.19Å; N82-F86 PolarHBondContact O-N 2.88Å; N82-L182 VanDerWaalsContact OD1-CD1 3.26Å; N82-L182 WeakPolarHBondContact OD1-CD1 3.5Å
83L93.4Very high94.5Very high51 Ų5142.5 Ų42.527%0.26721%0.214SC..Hα-helixtrans-51.6-39.2-174.3-62.1172.9000113.4R79 Q80 M85 F86 K87 V278 Y281R79-L83 PolarHBondContact O-N 2.65Å; Q80-L83 WeakPolarHBondContact O-CG 3.47Å; L83-M85 PolarHBondContact O-N 2.63Å; L83-F86 CarbonylContact O-C 3.5Å; L83-F86 PolarHBondContact O-N 3.05Å; L83-F86 VanDerWaalsContact O-N 3.07Å; L83-K87 PolarHBondContact O-N 3.24Å; L83-V278 HydrophobicContact CB-CG1 4.22Å; L83-V278 HydrophobicContact CD2-CG1 3.96Å; L83-Y281 HydrophobicContact CD2-CD2 3.83Å; L83-Y281 HydrophobicContact CD2-CG 4.07Å
84D91.7Very high94.4Very high148 Ų14847.4 Ų47.479%0.79125%0.245SC*.Hα-helixtrans-59.6-32.3178.5-70.7-32.1000112.9N82N82-D84 PolarHBondContact O-N 3.47Å; N82-D84 VanDerWaalsContact O-N 3.12Å
85M93.7Very high94.3Very high9 Ų945.5 Ų45.54%0.04424%0.239CC..Hα-helixtrans-75.5-29.9178.1-171.7177.371.200112.1Y78 N82 L83 V134 L137 R138 L141 L182Y78-M85 HydrophobicContact CD1-CE 4.36Å; Y78-M85 HydrophobicContact CE1-CE 3.33Å; Y78-M85 WeakPolarHBondContact OH-CE 3.4Å; N82-M85 HydrophobicContact CB-CB 4.34Å; N82-M85 HydrophobicContact CB-CE 4.33Å; N82-M85 WeakPolarHBondContact O-CB 3.27Å; N82-M85 PolarHBondContact O-N 2.9Å; L83-M85 PolarHBondContact O-N 2.63Å; M85-V134 HydrophobicContact CB-CG1 4.38Å; M85-V134 HydrophobicContact CG-CG1 3.82Å; M85-V134 HydrophobicContact SD-CG1 4.13Å; M85-L137 HydrophobicContact SD-CD2 3.75Å; M85-L137 HydrophobicContact SD-CG 4.2Å; M85-R138 HydrophobicContact CG-CG 3.39Å; M85-R138 VanDerWaalsContact O-CD 3.26Å; M85-R138 WeakPolarHBondContact O-CD 3.35Å; M85-R138 WeakPolarHBondContact O-CG 3.32Å; M85-R138 PolarHBondContact O-NE 3.14Å; M85-R138 HydrophobicContact SD-CG 4.43Å; M85-L141 HydrophobicContact CE-CD1 3.94Å; M85-L182 HydrophobicContact SD-CD2 4.21Å
86F92.6Very high94.2Very high4 Ų445.5 Ų45.52%0.01824%0.239CC..Hα-helixtrans-98.70.2-179.2-65.8-78.2000113.3Y78 R79 N82 L83 F89 L141 V278Y78-F86 AromaticContact CD1-CE2 3.75Å; Y78-F86 HydrophobicContact CD1-CE2 3.75Å; Y78-F86 AromaticContact CD1-CZ 3.71Å; Y78-F86 HydrophobicContact CD1-CZ 3.71Å; Y78-F86 AromaticContact CE1-CE2 3.79Å; Y78-F86 HydrophobicContact CE1-CE2 3.79Å; Y78-F86 AromaticContact CE1-CZ 3.64Å; Y78-F86 HydrophobicContact CE1-CZ 3.64Å; R79-F86 HydrophobicContact CB-CD2 4.05Å; R79-F86 HydrophobicContact CB-CE2 4.13Å; R79-F86 HydrophobicContact CB-CG 4.47Å; R79-F86 HydrophobicContact CG-CD1 4Å; R79-F86 HydrophobicContact CG-CD2 3.77Å; R79-F86 HydrophobicContact CG-CE1 3.85Å; R79-F86 HydrophobicContact CG-CE2 3.59Å; R79-F86 HydrophobicContact CG-CG 3.95Å; R79-F86 HydrophobicContact CG-CZ 3.63Å; N82-F86 HydrophobicContact CB-CD2 4.45Å; N82-F86 HydrophobicContact CB-CE2 4.33Å; N82-F86 WeakPolarHBondContact O-CD2 3.19Å; N82-F86 PolarHBondContact O-N 2.88Å; L83-F86 CarbonylContact O-C 3.5Å; L83-F86 PolarHBondContact O-N 3.05Å; L83-F86 VanDerWaalsContact O-N 3.07Å; F86-F89 HydrophobicContact CD1-CD1 4.3Å; F86-F89 HydrophobicContact CD1-CD2 4.22Å; F86-F89 HydrophobicContact CD1-CE1 4.41Å; F86-F89 HydrophobicContact CD1-CE2 4.33Å; F86-F89 HydrophobicContact CD1-CG 4.2Å; F86-F89 HydrophobicContact CD1-CZ 4.42Å; F86-F89 HydrophobicContact CE1-CE2 4.48Å; F86-F89 HydrophobicContact CE1-CZ 4.32Å; F86-F89 VanDerWaalsContact O-CB 3.29Å; F86-F89 WeakPolarHBondContact O-CB 3.38Å; F86-L141 HydrophobicContact CE1-CD1 4.37Å; F86-L141 HydrophobicContact CZ-CD1 4.19Å; F86-V278 WeakPolarHBondContact O-CG2 3.36Å
87K88Confident94.1Very high132 Ų13249.1 Ų49.157%0.57426%0.255SS*.THydrogen-bonded Turntrans-67134.3170.3-171173.7-175.6172.20110.6L83 F89 R138L83-K87 PolarHBondContact O-N 3.24Å; K87-F89 PolarHBondContact O-N 2.85Å; K87-R138 PolarHBondContact O-NH2 3.48Å
88S87.4Confident94.2Very high47 Ų4748.2 Ų48.233%0.32925%0.251SS..THydrogen-bonded Turntrans50.345.4-178.4-56.90000111.6K90 R138S88-K90 PolarHBondContact O-N 2.86Å; S88-R138 PolarHBondContact O-NH2 3.49Å
89F92.8Very high94.2Very high0 Ų047.9 Ų47.90%025%0.249CC..  trans-78.171.6-172.8-168.6-115.1000111.7F86 K87 I96 R138 L141 L142 D272F86-F89 HydrophobicContact CD1-CD1 4.3Å; F86-F89 HydrophobicContact CD1-CD2 4.22Å; F86-F89 HydrophobicContact CD1-CE1 4.41Å; F86-F89 HydrophobicContact CD1-CE2 4.33Å; F86-F89 HydrophobicContact CD1-CG 4.2Å; F86-F89 HydrophobicContact CD1-CZ 4.42Å; F86-F89 HydrophobicContact CE1-CE2 4.48Å; F86-F89 HydrophobicContact CE1-CZ 4.32Å; F86-F89 VanDerWaalsContact O-CB 3.29Å; F86-F89 WeakPolarHBondContact O-CB 3.38Å; K87-F89 PolarHBondContact O-N 2.85Å; F89-I96 HydrophobicContact CD2-CD1 4.03Å; F89-I96 HydrophobicContact CE2-CD1 4.42Å; F89-R138 HydrophobicContact CD2-CB 4.33Å; F89-R138 HydrophobicContact CD2-CG 4.47Å; F89-R138 HydrophobicContact CE2-CB 3.88Å; F89-R138 HydrophobicContact CE2-CG 4.26Å; F89-R138 VanDerWaalsContact CE2-O 3.27Å; F89-R138 WeakPolarHBondContact CE2-O 3.38Å; F89-R138 WeakPolarHBondContact CZ-O 3.32Å; F89-L141 HydrophobicContact CE2-CB 4.47Å; F89-L141 HydrophobicContact CZ-CB 3.81Å; F89-L142 HydrophobicContact CD1-CD1 3.74Å; F89-L142 HydrophobicContact CE1-CB 4.05Å; F89-L142 HydrophobicContact CE1-CD1 3.59Å; F89-L142 HydrophobicContact CE1-CG 4.47Å; F89-L142 HydrophobicContact CE2-CB 4.23Å; F89-L142 HydrophobicContact CG-CD1 4.36Å; F89-L142 HydrophobicContact CZ-CB 3.71Å; F89-L142 HydrophobicContact CZ-CD1 4.09Å; F89-D272 HydrophobicContact CB-CB 4.14Å; F89-D272 HydrophobicContact CD1-CB 3.83Å; F89-D272 WeakPolarHBondContact CD1-OD2 3.34Å; F89-D272 HydrophobicContact CG-CB 4.48Å; F89-D272 VanDerWaalsContact O-CB 3.28Å; F89-D272 WeakPolarHBondContact O-CB 3.3Å
90K93.2Very high94.2Very high69 Ų6947.6 Ų47.630%0.325%0.248SC..BIsolated β-bridgetrans-138.6154.3-176.460.2-171.9172.9-160.50111.8S88 T92 D93S88-K90 PolarHBondContact O-N 2.86Å; K90-T92 WeakPolarHBondContact CD-OG1 3.49Å; K90-T92 WeakPolarHBondContact CG-OG1 3.45Å; K90-T92 PolarHBondContact O-N 3.02Å; K90-D93 VanDerWaalsContact O-CB 3.31Å; K90-D93 WeakPolarHBondContact O-CB 3.31Å; K90-D93 PolarHBondContact O-N 2.89Å
91A93.4Very high94.3Very high2 Ų250.1 Ų50.12%0.01726%0.259CS..THydrogen-bonded Turntrans-60.7-21.7-176.900000113.2K97 L100 L142 L265 L266A91-K97 WeakPolarHBondContact O-CA 3.32Å; A91-K97 VanDerWaalsContact O-CB 3.29Å; A91-K97 WeakPolarHBondContact O-CB 3.31Å; A91-L100 HydrophobicContact CB-CD1 4.26Å; A91-L142 HydrophobicContact CB-CD2 3.99Å; A91-L265 HydrophobicContact CB-CD2 4.21Å; A91-L265 HydrophobicContact CB-CG 4.06Å; A91-L266 HydrophobicContact CB-CD2 3.96Å; A91-L266 VanDerWaalsContact O-CD2 3.32Å; A91-L266 WeakPolarHBondContact O-CD2 3.2Å
92T93.3Very high94.3Very high63 Ų6345.2 Ų45.239%0.38724%0.236SC..THydrogen-bonded Turntrans-84.7-10.3179.655.90000114.3K90 L266K90-T92 WeakPolarHBondContact CD-OG1 3.49Å; K90-T92 WeakPolarHBondContact CG-OG1 3.45Å; K90-T92 PolarHBondContact O-N 3.02Å; T92-L266 HydrophobicContact CG2-CD2 4.29Å
93D95.4Very high94.4Very high26 Ų2643.2 Ų43.214%0.13923%0.226CC..SBendtrans-55.4133.6171.9173.1-87.2000110.2K90 G95 I96 K97 R138K90-D93 VanDerWaalsContact O-CB 3.31Å; K90-D93 WeakPolarHBondContact O-CB 3.31Å; K90-D93 PolarHBondContact O-N 2.89Å; D93-G95 VanDerWaalsContact C-N 3.3Å; D93-G95 PolarHBondContact O-N 3.25Å; D93-G95 PolarHBondContact OD1-N 2.93Å; D93-I96 HydrophobicContact CB-CB 4.09Å; D93-I96 HydrophobicContact CB-CD1 4.02Å; D93-I96 HydrophobicContact CB-CG1 4.13Å; D93-I96 PolarHBondContact O-N 3.31Å; D93-I96 PolarHBondContact OD1-N 3.21Å; D93-I96 VanDerWaalsContact OD1-N 3.15Å; D93-K97 WeakPolarHBondContact O-CB 3.47Å; D93-K97 PolarHBondContact O-N 3.07Å; D93-R138 IonicContact OD1-CZ 3.56Å; D93-R138 IonicContact OD1-NH1 3.58Å; D93-R138 PolarHBondContact OD1-NH1 3.42Å; D93-R138 IonicContact OD1-NH2 3.94Å; D93-R138 IonicContact OD2-CZ 3.84Å; D93-R138 IonicContact OD2-NH1 3.36Å; D93-R138 IonicContact OD2-NH2 3.14Å; D93-R138 PolarHBondContact OD2-NH2 2.88Å
94P95.8Very high94.6Very high106 Ų10641.1 Ų41.169%0.68822%0.215SC*.Hα-helixtrans-56.9-39.6-172.2-27.635.2000114.5Q98P94-Q98 VanDerWaalsContact O-CB 3.29Å; P94-Q98 WeakPolarHBondContact O-CB 3.5Å; P94-Q98 PolarHBondContact O-N 3.08Å; P94-Q98 VanDerWaalsContact O-N 3.14Å
95G96.4Very high94.8Very high10 Ų1034.1 Ų34.110%0.10318%0.177CC..Hα-helixtrans-70.8-50-179.900000111.2D93 Q98 A99D93-G95 VanDerWaalsContact C-N 3.3Å; D93-G95 PolarHBondContact O-N 3.25Å; D93-G95 PolarHBondContact OD1-N 2.93Å; G95-Q98 PolarHBondContact O-N 3.32Å; G95-A99 WeakPolarHBondContact O-CB 3.14Å; G95-A99 PolarHBondContact O-N 2.97Å
96I97.1Very high95Very high0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-60-50.7177.5-64.6178.3000110.6F89 D93 Q98 A99 L100 R138 A139 L142F89-I96 HydrophobicContact CD2-CD1 4.03Å; F89-I96 HydrophobicContact CE2-CD1 4.42Å; D93-I96 HydrophobicContact CB-CB 4.09Å; D93-I96 HydrophobicContact CB-CD1 4.02Å; D93-I96 HydrophobicContact CB-CG1 4.13Å; D93-I96 PolarHBondContact O-N 3.31Å; D93-I96 PolarHBondContact OD1-N 3.21Å; D93-I96 VanDerWaalsContact OD1-N 3.15Å; I96-Q98 PolarHBondContact O-N 3.47Å; I96-A99 PolarHBondContact O-N 2.95Å; I96-L100 HydrophobicContact CG2-CD1 3.74Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.22Å; I96-L100 PolarHBondContact O-N 2.97Å; I96-R138 HydrophobicContact CD1-CB 3.85Å; I96-R138 HydrophobicContact CG1-CB 3.73Å; I96-A139 HydrophobicContact CG2-CB 4.05Å; I96-L142 HydrophobicContact CG2-CD2 3.75Å
97K96.4Very high95.2Very high76 Ų7633.8 Ų33.833%0.3318%0.177SC..Hα-helixtrans-55.8-41.9180-174.6170.5-174.2169.30111.6A91 D93 K101 L266A91-K97 WeakPolarHBondContact O-CA 3.32Å; A91-K97 VanDerWaalsContact O-CB 3.29Å; A91-K97 WeakPolarHBondContact O-CB 3.31Å; D93-K97 WeakPolarHBondContact O-CB 3.47Å; D93-K97 PolarHBondContact O-N 3.07Å; K97-K101 WeakPolarHBondContact O-CG 3.36Å; K97-K101 PolarHBondContact O-N 3.33Å; K97-K101 VanDerWaalsContact O-N 3.13Å; K97-L266 HydrophobicContact CD-CD2 4.29Å; K97-L266 HydrophobicContact CG-CD1 4.34Å; K97-L266 HydrophobicContact CG-CD2 4.18Å
98Q97.4Very high95.6Very high38 Ų3827.7 Ų27.718%0.17815%0.151CC..Hα-helixtrans-72.5-42.1-179.5-167.951.364.400112P94 G95 I96 L100 K101 D102 R130 Y131P94-Q98 VanDerWaalsContact O-CB 3.29Å; P94-Q98 WeakPolarHBondContact O-CB 3.5Å; P94-Q98 PolarHBondContact O-N 3.08Å; P94-Q98 VanDerWaalsContact O-N 3.14Å; G95-Q98 PolarHBondContact O-N 3.32Å; I96-Q98 PolarHBondContact O-N 3.47Å; Q98-L100 PolarHBondContact O-N 3.42Å; Q98-K101 PolarHBondContact O-N 3.17Å; Q98-D102 VanDerWaalsContact NE2-CG 3.35Å; Q98-D102 PolarHBondContact NE2-OD1 2.87Å; Q98-D102 PolarHBondContact NE2-OD2 3.28Å; Q98-D102 PolarHBondContact O-N 3.04Å; Q98-D102 VanDerWaalsContact O-N 3.1Å; Q98-R130 HydrophobicContact CG-CB 4.49Å; Q98-R130 VanDerWaalsContact NE2-CZ 3.26Å; Q98-R130 VanDerWaalsContact NE2-NH1 3.15Å; Q98-Y131 HydrophobicContact CB-CD1 3.95Å; Q98-Y131 HydrophobicContact CB-CE1 4.4Å; Q98-Y131 HydrophobicContact CG-CD1 3.59Å; Q98-Y131 HydrophobicContact CG-CE1 3.75Å
99A97.7Very high96Very high0 Ų029.9 Ų29.90%017%0.172CC..Hα-helixtrans-58.3-46.417400000111.7G95 I96 K101 D102 G103 F104 Y131 I136 A139G95-A99 WeakPolarHBondContact O-CB 3.14Å; G95-A99 PolarHBondContact O-N 2.97Å; I96-A99 PolarHBondContact O-N 2.95Å; A99-K101 PolarHBondContact O-N 3.09Å; A99-D102 PolarHBondContact O-N 3.3Å; A99-G103 PolarHBondContact O-N 3.26Å; A99-F104 HydrophobicContact CB-CB 4.2Å; A99-F104 WeakPolarHBondContact O-CB 3.09Å; A99-F104 PolarHBondContact O-N 2.91Å; A99-Y131 HydrophobicContact CB-CD2 3.97Å; A99-Y131 HydrophobicContact CB-CE2 3.88Å; A99-I136 HydrophobicContact CB-CG1 4.23Å; A99-A139 HydrophobicContact CB-CB 3.9Å
100L97.2Very high96.1Very high0 Ų033.3 Ų33.30%019%0.19CC..Hα-helixtrans-58.8-47.2176.9-70.9168.4000112A91 I96 Q98 D102 G103 A139 A262 L265A91-L100 HydrophobicContact CB-CD1 4.26Å; I96-L100 HydrophobicContact CG2-CD1 3.74Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.22Å; I96-L100 PolarHBondContact O-N 2.97Å; Q98-L100 PolarHBondContact O-N 3.42Å; L100-D102 PolarHBondContact O-N 3.22Å; L100-G103 PolarHBondContact O-N 3.26Å; L100-A139 HydrophobicContact CD2-CB 4.05Å; L100-A139 HydrophobicContact CG-CB 4Å; L100-A262 HydrophobicContact CB-CB 3.85Å; L100-L265 HydrophobicContact CD1-CD2 3.79Å; L100-L265 HydrophobicContact CD2-CD2 4.08Å
101K96.3Very high96.3Very high100 Ų10033.6 Ų33.644%0.43519%0.194SC..Hα-helixtrans-62-30.4178.8-78-179.3174.5-167.50113.3K97 Q98 A99 A262K97-K101 WeakPolarHBondContact O-CG 3.36Å; K97-K101 PolarHBondContact O-N 3.33Å; K97-K101 VanDerWaalsContact O-N 3.13Å; Q98-K101 PolarHBondContact O-N 3.17Å; A99-K101 PolarHBondContact O-N 3.09Å; K101-A262 HydrophobicContact CG-CB 4.27Å
102D96.8Very high96.5Very high27 Ų2733.9 Ų33.914%0.14420%0.196CC..THydrogen-bonded Turntrans-86.24.7177.4-65.7-10.1000112.3Q98 A99 L100 F104 N125 R130 Y131Q98-D102 VanDerWaalsContact NE2-CG 3.35Å; Q98-D102 PolarHBondContact NE2-OD1 2.87Å; Q98-D102 PolarHBondContact NE2-OD2 3.28Å; Q98-D102 PolarHBondContact O-N 3.04Å; Q98-D102 VanDerWaalsContact O-N 3.1Å; A99-D102 PolarHBondContact O-N 3.3Å; L100-D102 PolarHBondContact O-N 3.22Å; D102-F104 HydrophobicContact CB-CD2 4.19Å; D102-F104 HydrophobicContact CB-CE2 4.39Å; D102-N125 HydrophobicContact CB-CB 4.44Å; D102-N125 WeakPolarHBondContact O-CB 3.15Å; D102-N125 PolarHBondContact O-ND2 2.89Å; D102-R130 IonicContact OD1-NH1 3.32Å; D102-R130 PolarHBondContact OD1-NH1 3.05Å; D102-R130 IonicContact OD2-NH1 2.89Å; D102-R130 PolarHBondContact OD2-NH1 2.67Å; D102-R130 VanDerWaalsContact OD2-NH1 3.14Å; D102-Y131 WeakPolarHBondContact CB-OH 3.39Å; D102-Y131 WeakPolarHBondContact OD2-CE1 3.39Å; D102-Y131 PolarHBondContact OD2-OH 3.14Å
103G96.1Very high96.6Very high0 Ų035.1 Ų35.10%020%0.197CC..THydrogen-bonded Turntrans87.627175.900000114.5A99 L100 P105 G106A99-G103 PolarHBondContact O-N 3.26Å; L100-G103 PolarHBondContact O-N 3.26Å; G103-P105 VanDerWaalsContact C-C 3.41Å; G103-P105 CarbonylContact O-C 3.56Å; G103-P105 WeakPolarHBondContact O-CA 3.26Å; G103-G106 PolarHBondContact O-N 2.86Å
104F97.3Very high96.6Very high7 Ų740 Ų403%0.03121%0.214CC..THydrogen-bonded Turntrans-110.895175.5-65-69.9000112.4A99 D102 L121 F122 N125 W126 Y131 I136 A139A99-F104 HydrophobicContact CB-CB 4.2Å; A99-F104 WeakPolarHBondContact O-CB 3.09Å; A99-F104 PolarHBondContact O-N 2.91Å; D102-F104 HydrophobicContact CB-CD2 4.19Å; D102-F104 HydrophobicContact CB-CE2 4.39Å; F104-L121 HydrophobicContact CD1-CB 4.29Å; F104-L121 HydrophobicContact CD1-CD2 4.08Å; F104-L121 HydrophobicContact CE1-CB 4.3Å; F104-F122 WeakPolarHBondContact CZ-O 3.4Å; F104-N125 HydrophobicContact CE2-CB 3.72Å; F104-N125 HydrophobicContact CZ-CB 3.93Å; F104-W126 HydrophobicContact CE2-CB 4.05Å; F104-W126 HydrophobicContact CZ-CB 3.91Å; F104-Y131 HydrophobicContact CD2-CE2 4.29Å; F104-Y131 WeakPolarHBondContact CD2-OH 3.08Å; F104-Y131 WeakPolarHBondContact CE2-OH 2.84Å; F104-I136 HydrophobicContact CB-CB 4.47Å; F104-I136 HydrophobicContact CB-CG1 4.08Å; F104-I136 HydrophobicContact CB-CG2 4.01Å; F104-I136 HydrophobicContact CD1-CD1 4.36Å; F104-I136 HydrophobicContact CD1-CG1 4.49Å; F104-I136 HydrophobicContact CD1-CG2 4.13Å; F104-I136 HydrophobicContact CD2-CD1 4.14Å; F104-I136 HydrophobicContact CD2-CG1 4.13Å; F104-I136 HydrophobicContact CE2-CD1 4.27Å; F104-I136 HydrophobicContact CG-CD1 4.18Å; F104-I136 HydrophobicContact CG-CG1 3.99Å; F104-I136 HydrophobicContact CG-CG2 4.2Å; F104-I136 HydrophobicContact CZ-CD1 4.45Å; F104-A139 WeakPolarHBondContact O-CB 3.18Å
105P97.6Very high96.7Very high0 Ų035.9 Ų35.90%019%0.191CC..THydrogen-bonded Turncis-84.2159.5-14.635.3-31.8000112.2G103 L119 L121 I140 S143 W261G103-P105 VanDerWaalsContact C-C 3.41Å; G103-P105 CarbonylContact O-C 3.56Å; G103-P105 WeakPolarHBondContact O-CA 3.26Å; P105-L119 HydrophobicContact CB-CD2 4.5Å; P105-L121 VanDerWaalsContact CA-CD2 3.48Å; P105-L121 HydrophobicContact CB-CD2 3.57Å; P105-I140 HydrophobicContact CB-CG1 4.24Å; P105-I140 HydrophobicContact CG-CG1 4.13Å; P105-S143 WeakPolarHBondContact CD-OG 3.47Å; P105-S143 WeakPolarHBondContact CG-OG 3.42Å; P105-W261 VanDerWaalsContact O-CD1 3.22Å
106G97.3Very high96.8Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-84.8150.2155.100000110.7G103 L119 V120 Y256G103-G106 PolarHBondContact O-N 2.86Å; G106-L119 CarbonylContact O-C 3.53Å; G106-L119 VanDerWaalsContact O-CA 3.32Å; G106-L119 WeakPolarHBondContact O-CA 3.35Å; G106-V120 PolarHBondContact N-O 3.35Å; G106-V120 PolarHBondContact O-N 2.86Å; G106-Y256 WeakPolarHBondContact CA-OH 3.44Å
107G96.8Very high96.8Very high6 Ų638.4 Ų38.46%0.06220%0.198CC..EExtended strand (participates in β ladder)trans-125118.7173.900000110.1Y256G107-Y256 PolarHBondContact N-OH 3.09Å; G107-Y256 PolarHBondContact O-OH 3.26Å
108L97.3Very high97Very high5 Ų534.8 Ų34.83%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-69.2145.9177.7-57.1-169.5000110.6K117 I118 V120 L245 P246 Y256L108-K117 VanDerWaalsContact O-CE 3.29Å; L108-K117 WeakPolarHBondContact O-CE 3.19Å; L108-K117 PolarHBondContact O-NZ 3.23Å; L108-I118 HydrophobicContact CB-CB 4.22Å; L108-I118 HydrophobicContact CD1-CB 3.9Å; L108-I118 HydrophobicContact CD1-CD1 4.19Å; L108-I118 HydrophobicContact CD1-CG2 3.7Å; L108-I118 HydrophobicContact CG-CB 4.1Å; L108-I118 HydrophobicContact CG-CG2 4.11Å; L108-I118 PolarHBondContact N-O 3.36Å; L108-V120 HydrophobicContact CD1-CG1 4.23Å; L108-V120 HydrophobicContact CD2-CG1 4.01Å; L108-V120 HydrophobicContact CD2-CG2 4.17Å; L108-V120 HydrophobicContact CG-CG1 4.02Å; L108-L245 HydrophobicContact CD1-CD2 4.04Å; L108-P246 HydrophobicContact CD1-CG 4.31Å; L108-P246 HydrophobicContact CD2-CG 3.63Å; L108-Y256 HydrophobicContact CD2-CD2 3.5Å; L108-Y256 VanDerWaalsContact CD2-CD2 3.5Å; L108-Y256 HydrophobicContact CD2-CE2 3.76Å; L108-Y256 HydrophobicContact CD2-CG 4.3Å
109A94.4Very high97Very high93 Ų9333.1 Ų33.177%0.76918%0.175SC*.EExtended strand (participates in β ladder)trans-65.8-43.4176.500000111.2
110N96.3Very high97Very high72 Ų7233.1 Ų33.139%0.38518%0.175SC..EExtended strand (participates in β ladder)trans-75.5146.4177.7-61.680.5000111.9I244N110-I244 HydrophobicContact CB-CB 3.83Å; N110-I244 HydrophobicContact CB-CG2 3.95Å
111L97.4Very high97.1Very high74 Ų7433.9 Ų33.939%0.38718%0.179SC..EExtended strand (participates in β ladder)trans-91.3159.6168.4-54.1177.1000109.3R116 K117 L153 I244L111-R116 WeakPolarHBondContact CA-O 3.38Å; L111-K117 HydrophobicContact CD2-CB 4.18Å; L111-K117 HydrophobicContact CD2-CD 3.93Å; L111-L153 HydrophobicContact CD2-CD2 4.29Å; L111-I244 VanDerWaalsContact O-CD1 3.27Å; L111-I244 WeakPolarHBondContact O-CD1 3.33Å
112D97.3Very high97.2Very high8 Ų829.7 Ų29.74%0.04316%0.161CC..  trans-75.4176.9169.179.54.6000113.1Y114 G115 R116 I118 V159 I244D112-Y114 PolarHBondContact O-N 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.44Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.28Å; D112-Y114 PolarHBondContact OD1-N 3.08Å; D112-G115 PolarHBondContact O-N 2.94Å; D112-G115 PolarHBondContact OD1-N 2.92Å; D112-R116 PolarHBondContact N-O 3.49Å; D112-R116 VanDerWaalsContact OD1-CB 3.29Å; D112-R116 WeakPolarHBondContact OD1-CB 3.32Å; D112-R116 WeakPolarHBondContact OD1-CG 3.46Å; D112-R116 PolarHBondContact OD1-N 3.44Å; D112-R116 IonicContact OD1-NE 2.68Å; D112-R116 PolarHBondContact OD1-NE 3.18Å; D112-R116 IonicContact OD2-CZ 3.23Å; D112-R116 IonicContact OD2-NE 3.57Å; D112-R116 PolarHBondContact OD2-NE 3.46Å; D112-R116 IonicContact OD2-NH2 3.56Å; D112-R116 PolarHBondContact OD2-NH2 2.93Å; D112-I118 HydrophobicContact CB-CD1 4.05Å; D112-I118 HydrophobicContact CB-CG1 4.27Å; D112-V159 WeakPolarHBondContact OD2-CG2 3.29Å; D112-I244 HydrophobicContact CB-CD1 4.11Å
113H95.3Very high97.2Very high90 Ų9028.8 Ų28.842%0.41716%0.157SC..THydrogen-bonded Turntrans-67.3-6.4-177.167.6-81.5000114.5L239 H241H113-L239 PolarHBondContact CE1-O 3.33Å; H113-H241 AromaticContact CG-CD2 3.93Å; H113-H241 AromaticContact ND1-CD2 3.56Å; H113-H241 AromaticContact ND1-NE2 3.93Å
114Y95.7Very high97.3Very high128 Ų12830.3 Ų30.350%0.50217%0.169SC..THydrogen-bonded Turntrans-102.18.3171-61.4-70.6000112.8K15 D112 R116K15-Y114 PolarHBondContact NZ-O 2.86Å; D112-Y114 PolarHBondContact O-N 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.44Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.28Å; D112-Y114 PolarHBondContact OD1-N 3.08Å; Y114-R116 VanDerWaalsContact C-N 3.34Å
115G96.8Very high97.2Very high19 Ų1933 Ų3320%0.19618%0.184CC..SBendtrans77.115.4-177.200000113.8D112 N156D112-G115 PolarHBondContact O-N 2.94Å; D112-G115 PolarHBondContact OD1-N 2.92Å; G115-N156 WeakPolarHBondContact O-CB 3.45Å
116R98.3Very high97.2Very high32 Ų3233.6 Ų33.612%0.12119%0.186CC..PPolyproline II helixtrans-85.1140.8-174.9-55.1179.6-67.3-170.610.5110.9L111 D112 Y114 I118 N156 G157 V159 G196L111-R116 WeakPolarHBondContact CA-O 3.38Å; D112-R116 PolarHBondContact N-O 3.49Å; D112-R116 VanDerWaalsContact OD1-CB 3.29Å; D112-R116 WeakPolarHBondContact OD1-CB 3.32Å; D112-R116 WeakPolarHBondContact OD1-CG 3.46Å; D112-R116 PolarHBondContact OD1-N 3.44Å; D112-R116 IonicContact OD1-NE 2.68Å; D112-R116 PolarHBondContact OD1-NE 3.18Å; D112-R116 IonicContact OD2-CZ 3.23Å; D112-R116 IonicContact OD2-NE 3.57Å; D112-R116 PolarHBondContact OD2-NE 3.46Å; D112-R116 IonicContact OD2-NH2 3.56Å; D112-R116 PolarHBondContact OD2-NH2 2.93Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; R116-I118 PolarHBondContact O-N 3.46Å; R116-N156 WeakPolarHBondContact CG-O 3.2Å; R116-G157 VanDerWaalsContact CA-O 3.25Å; R116-G157 WeakPolarHBondContact CA-O 3.47Å; R116-G157 WeakPolarHBondContact CB-O 3.49Å; R116-V159 HydrophobicContact CB-CG2 4Å; R116-V159 VanDerWaalsContact CZ-CG2 3.41Å; R116-V159 VanDerWaalsContact NE-CG2 3.28Å; R116-G196 VanDerWaalsContact NH1-CA 3.31Å
117K98.4Very high97.1Very high32 Ų3236.8 Ų36.814%0.13920%0.203CC..EExtended strand (participates in β ladder)trans-72.2127.8172.4-173.765.8164.9-175.20110.1L108 L111 M147 L153 G157 F158 V159L108-K117 VanDerWaalsContact O-CE 3.29Å; L108-K117 WeakPolarHBondContact O-CE 3.19Å; L108-K117 PolarHBondContact O-NZ 3.23Å; L111-K117 HydrophobicContact CD2-CB 4.18Å; L111-K117 HydrophobicContact CD2-CD 3.93Å; K117-M147 HydrophobicContact CG-SD 3.8Å; K117-L153 HydrophobicContact CB-CD1 3.88Å; K117-L153 HydrophobicContact CB-CD2 3.77Å; K117-L153 HydrophobicContact CB-CG 4.49Å; K117-L153 HydrophobicContact CG-CD1 4.19Å; K117-G157 PolarHBondContact N-O 2.89Å; K117-F158 HydrophobicContact CB-CD1 3.7Å; K117-F158 HydrophobicContact CB-CE1 3.91Å; K117-F158 HydrophobicContact CG-CD1 4.19Å; K117-F158 HydrophobicContact CG-CE1 4.24Å; K117-F158 CarbonylContact O-C 3.35Å; K117-F158 VanDerWaalsContact O-CA 3.28Å; K117-F158 WeakPolarHBondContact O-CA 3.37Å; K117-V159 PolarHBondContact O-N 2.9Å
118I98.6Very high96.8Very high0 Ų039.6 Ų39.60%022%0.215CC..EExtended strand (participates in β ladder)trans-93.8116.9179-53172.5000109.2L108 D112 R116 V120 I161 I240 I244 L245L108-I118 HydrophobicContact CB-CB 4.22Å; L108-I118 HydrophobicContact CD1-CB 3.9Å; L108-I118 HydrophobicContact CD1-CD1 4.19Å; L108-I118 HydrophobicContact CD1-CG2 3.7Å; L108-I118 HydrophobicContact CG-CB 4.1Å; L108-I118 HydrophobicContact CG-CG2 4.11Å; L108-I118 PolarHBondContact N-O 3.36Å; D112-I118 HydrophobicContact CB-CD1 4.05Å; D112-I118 HydrophobicContact CB-CG1 4.27Å; R116-I118 PolarHBondContact O-N 3.46Å; I118-V120 HydrophobicContact CG2-CG1 4.27Å; I118-I161 HydrophobicContact CG2-CD1 3.71Å; I118-I161 HydrophobicContact CG2-CG1 4.08Å; I118-I240 HydrophobicContact CD1-CG2 3.97Å; I118-I244 HydrophobicContact CD1-CD1 3.69Å; I118-I244 HydrophobicContact CD1-CG1 4.47Å; I118-L245 HydrophobicContact CD1-CD2 4.44Å
119L98.6Very high96.7Very high2 Ų244.2 Ų44.21%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-96139.3170.5-61179.7000109.6P105 G106 L144 M147 F158 V159 L160 I161P105-L119 HydrophobicContact CB-CD2 4.5Å; G106-L119 CarbonylContact O-C 3.53Å; G106-L119 VanDerWaalsContact O-CA 3.32Å; G106-L119 WeakPolarHBondContact O-CA 3.35Å; L119-L144 HydrophobicContact CD1-CD2 3.79Å; L119-M147 HydrophobicContact CD2-CE 3.57Å; L119-M147 HydrophobicContact CD2-SD 3.67Å; L119-F158 HydrophobicContact CD1-CD1 4.27Å; L119-F158 HydrophobicContact CG-CD1 4.4Å; L119-V159 PolarHBondContact N-O 3.34Å; L119-L160 HydrophobicContact CB-CD1 3.73Å; L119-L160 CarbonylContact O-C 3.53Å; L119-L160 WeakPolarHBondContact O-CA 3.46Å; L119-I161 PolarHBondContact O-N 3.25Å
120V98.5Very high96.7Very high0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-125.5135.2179.3-620000110.4G106 L108 I118 F122 I161 F249 Y256G106-V120 PolarHBondContact N-O 3.35Å; G106-V120 PolarHBondContact O-N 2.86Å; L108-V120 HydrophobicContact CD1-CG1 4.23Å; L108-V120 HydrophobicContact CD2-CG1 4.01Å; L108-V120 HydrophobicContact CD2-CG2 4.17Å; L108-V120 HydrophobicContact CG-CG1 4.02Å; I118-V120 HydrophobicContact CG2-CG1 4.27Å; V120-F122 HydrophobicContact CB-CE2 4.18Å; V120-F122 HydrophobicContact CG2-CE2 3.83Å; V120-I161 CarbonylContact C-O 3.5Å; V120-I161 WeakPolarHBondContact CA-O 3.15Å; V120-I161 HydrophobicContact CG1-CB 4.35Å; V120-F249 HydrophobicContact CB-CE2 4.01Å; V120-F249 HydrophobicContact CB-CZ 4Å; V120-F249 HydrophobicContact CG1-CD2 4.5Å; V120-F249 HydrophobicContact CG1-CE2 3.59Å; V120-F249 HydrophobicContact CG1-CZ 3.91Å; V120-Y256 HydrophobicContact CG2-CD1 4.04Å; V120-Y256 HydrophobicContact CG2-CE1 4.01Å; V120-Y256 HydrophobicContact CG2-CG 4.39Å
121L98.4Very high96.7Very high16 Ų1642.8 Ų42.88%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-123.4127.9172.5-53-175.1000109.1F104 P105 I140 L160 I161 I162 D163F104-L121 HydrophobicContact CD1-CB 4.29Å; F104-L121 HydrophobicContact CD1-CD2 4.08Å; F104-L121 HydrophobicContact CE1-CB 4.3Å; P105-L121 VanDerWaalsContact CA-CD2 3.48Å; P105-L121 HydrophobicContact CB-CD2 3.57Å; L121-I140 HydrophobicContact CD1-CD1 4.11Å; L121-I140 HydrophobicContact CD2-CD1 4.32Å; L121-L160 HydrophobicContact CD1-CD1 4.13Å; L121-L160 HydrophobicContact CD2-CD1 4.48Å; L121-L160 HydrophobicContact CG-CD1 3.87Å; L121-I161 PolarHBondContact N-O 2.89Å; L121-I162 HydrophobicContact CB-CG1 4.45Å; L121-I162 HydrophobicContact CB-CG2 4.24Å; L121-I162 HydrophobicContact CD1-CD1 4.41Å; L121-I162 HydrophobicContact CD1-CG1 4.22Å; L121-I162 WeakPolarHBondContact O-CA 3.42Å; L121-D163 PolarHBondContact O-N 2.83Å
122F97.9Very high96.7Very high13 Ų1342.7 Ų42.76%0.05722%0.22CC..EExtended strand (participates in β ladder)trans-102.692.5173.1-63.7-89.8000108.5F104 V120 A124 N125 D163 E248 F249 Y256 M258F104-F122 WeakPolarHBondContact CZ-O 3.4Å; V120-F122 HydrophobicContact CB-CE2 4.18Å; V120-F122 HydrophobicContact CG2-CE2 3.83Å; F122-A124 PolarHBondContact O-N 2.96Å; F122-N125 WeakPolarHBondContact O-CB 3.5Å; F122-N125 PolarHBondContact O-N 3.12Å; F122-D163 HydrophobicContact CD1-CB 3.93Å; F122-D163 HydrophobicContact CE1-CB 4.38Å; F122-E248 HydrophobicContact CE1-CB 3.78Å; F122-E248 HydrophobicContact CE1-CG 3.88Å; F122-E248 HydrophobicContact CZ-CB 4.31Å; F122-E248 HydrophobicContact CZ-CG 4.34Å; F122-F249 HydrophobicContact CE1-CE2 4.1Å; F122-F249 AromaticContact CE1-CZ 3.78Å; F122-F249 HydrophobicContact CE1-CZ 3.78Å; F122-F249 HydrophobicContact CE2-CE2 4.48Å; F122-F249 HydrophobicContact CE2-CZ 4.39Å; F122-F249 AromaticContact CZ-CE2 3.66Å; F122-F249 HydrophobicContact CZ-CE2 3.66Å; F122-F249 AromaticContact CZ-CZ 3.67Å; F122-F249 HydrophobicContact CZ-CZ 3.67Å; F122-Y256 AromaticContact CE2-CD1 3.95Å; F122-Y256 HydrophobicContact CE2-CD1 3.95Å; F122-M258 HydrophobicContact CB-CE 4.41Å; F122-M258 HydrophobicContact CD1-CE 4.05Å; F122-M258 HydrophobicContact CD2-CE 3.17Å; F122-M258 HydrophobicContact CD2-SD 3.38Å; F122-M258 WeakPolarHBondContact CD2-SD 3.45Å; F122-M258 HydrophobicContact CE1-CE 4.06Å; F122-M258 HydrophobicContact CE2-CE 3.19Å; F122-M258 HydrophobicContact CE2-SD 3.57Å; F122-M258 VanDerWaalsContact CE2-SD 3.57Å; F122-M258 HydrophobicContact CG-CE 3.61Å; F122-M258 HydrophobicContact CG-SD 4.25Å; F122-M258 HydrophobicContact CZ-CE 3.64Å
123A97.4Very high96.6Very high8 Ų843.8 Ų43.87%0.06623%0.225CC..G310 helixtrans-57.5-32-166.300000113.4N125 W126 D163 W164 F167A123-N125 PolarHBondContact O-N 3.33Å; A123-W126 WeakPolarHBondContact O-CB 3.43Å; A123-W126 PolarHBondContact O-N 2.9Å; A123-D163 VanDerWaalsContact CB-O 3.28Å; A123-D163 WeakPolarHBondContact CB-O 3.29Å; A123-D163 PolarHBondContact N-O 3.31Å; A123-W164 HydrophobicContact CB-CD2 4.29Å; A123-W164 HydrophobicContact CB-CE3 3.9Å; A123-W164 HydrophobicContact CB-CZ3 4.22Å; A123-F167 HydrophobicContact CB-CB 4.24Å; A123-F167 HydrophobicContact CB-CD2 3.67Å; A123-F167 HydrophobicContact CB-CE2 4.18Å; A123-F167 HydrophobicContact CB-CG 4.06Å; A123-F167 WeakPolarHBondContact O-CD2 3.42Å
124A96.9Very high96.6Very high32 Ų3241.6 Ų41.626%0.26422%0.218SC..G310 helixtrans-63.1-24.4177.900000114.1F122 W126 S165 N166 Q171F122-A124 PolarHBondContact O-N 2.96Å; A124-W126 PolarHBondContact O-N 2.74Å; A124-S165 VanDerWaalsContact CB-O 3.27Å; A124-S165 WeakPolarHBondContact CB-O 3.27Å; A124-N166 HydrophobicContact CB-CB 4Å; A124-Q171 PolarHBondContact O-NE2 3.43Å
125N96.9Very high96.7Very high62 Ų6236.6 Ų36.633%0.33220%0.2SC..G310 helixtrans-68.1-12.9179.2-67.40.2000112.8D102 F104 F122 A123 D127 Y131D102-N125 HydrophobicContact CB-CB 4.44Å; D102-N125 WeakPolarHBondContact O-CB 3.15Å; D102-N125 PolarHBondContact O-ND2 2.89Å; F104-N125 HydrophobicContact CE2-CB 3.72Å; F104-N125 HydrophobicContact CZ-CB 3.93Å; F122-N125 WeakPolarHBondContact O-CB 3.5Å; F122-N125 PolarHBondContact O-N 3.12Å; A123-N125 PolarHBondContact O-N 3.33Å; N125-D127 PolarHBondContact O-N 3.28Å; N125-Y131 PolarHBondContact O-OH 3.08Å
126W97.2Very high96.8Very high13 Ų1336.1 Ų36.15%0.04919%0.193CC..  trans-70101.6-179.317832.5000111.6F104 A123 A124 Q128 Y131 L133 I136 F167 Q171 K174 L175F104-W126 HydrophobicContact CE2-CB 4.05Å; F104-W126 HydrophobicContact CZ-CB 3.91Å; A123-W126 WeakPolarHBondContact O-CB 3.43Å; A123-W126 PolarHBondContact O-N 2.9Å; A124-W126 PolarHBondContact O-N 2.74Å; W126-Q128 HydrophobicContact CD2-CG 3.85Å; W126-Q128 HydrophobicContact CE3-CG 4.3Å; W126-Q128 HydrophobicContact CG-CG 4.45Å; W126-Q128 HydrophobicContact CH2-CG 3.93Å; W126-Q128 VanDerWaalsContact CH2-NE2 3.34Å; W126-Q128 HydrophobicContact CZ2-CG 3.43Å; W126-Q128 VanDerWaalsContact CZ2-CG 3.43Å; W126-Q128 HydrophobicContact CZ3-CG 4.33Å; W126-Q128 VanDerWaalsContact CZ3-NE2 3.27Å; W126-Y131 AromaticContact CD1-CE2 3.79Å; W126-Y131 PolarHBondContact NE1-O 2.89Å; W126-L133 HydrophobicContact CH2-CB 4.24Å; W126-L133 HydrophobicContact CH2-CD1 4.28Å; W126-L133 HydrophobicContact CZ2-CB 3.85Å; W126-L133 HydrophobicContact CZ2-CD1 4.29Å; W126-L133 HydrophobicContact CZ3-CD1 4.43Å; W126-I136 HydrophobicContact CB-CD1 4.08Å; W126-I136 VanDerWaalsContact CD1-CD1 3.46Å; W126-I136 HydrophobicContact CD2-CD1 4.18Å; W126-I136 HydrophobicContact CG-CD1 3.64Å; W126-F167 HydrophobicContact CE3-CE2 4.09Å; W126-F167 HydrophobicContact CE3-CZ 4.35Å; W126-F167 HydrophobicContact CZ3-CZ 4.46Å; W126-Q171 HydrophobicContact CE3-CB 4.42Å; W126-Q171 PolarHBondContact O-NE2 3.28Å; W126-K174 HydrophobicContact CH2-CB 4.18Å; W126-L175 HydrophobicContact CH2-CD2 3.83Å; W126-L175 HydrophobicContact CZ3-CD2 3.54Å; W126-L175 HydrophobicContact CZ3-CG 4.22Å
127D94.4Very high96.7Very high67 Ų6735 Ų3536%0.35819%0.19SC..  trans-95.2101170-174.4-6.7000111N125 S129 R130 Y131N125-D127 PolarHBondContact O-N 3.28Å; D127-S129 VanDerWaalsContact CG-OG 3.26Å; D127-S129 PolarHBondContact O-N 3.47Å; D127-S129 VanDerWaalsContact O-N 3.11Å; D127-S129 WeakPolarHBondContact OD1-CB 3.47Å; D127-S129 PolarHBondContact OD1-N 2.63Å; D127-S129 PolarHBondContact OD1-OG 3.02Å; D127-S129 PolarHBondContact OD2-OG 3.28Å; D127-R130 HydrophobicContact CB-CG 4.18Å; D127-R130 PolarHBondContact O-N 3.25Å; D127-R130 WeakPolarHBondContact OD2-CD 3.48Å; D127-R130 WeakPolarHBondContact OD2-CG 3.24Å; D127-Y131 PolarHBondContact O-N 2.81Å
128Q91.6Very high96.7Very high65 Ų6534.3 Ų34.330%0.30419%0.186SC..THydrogen-bonded Turntrans-62.4-16.5-179.5-67172.718.700114.6W126 R130W126-Q128 HydrophobicContact CD2-CG 3.85Å; W126-Q128 HydrophobicContact CE3-CG 4.3Å; W126-Q128 HydrophobicContact CG-CG 4.45Å; W126-Q128 HydrophobicContact CH2-CG 3.93Å; W126-Q128 VanDerWaalsContact CH2-NE2 3.34Å; W126-Q128 HydrophobicContact CZ2-CG 3.43Å; W126-Q128 VanDerWaalsContact CZ2-CG 3.43Å; W126-Q128 HydrophobicContact CZ3-CG 4.33Å; W126-Q128 VanDerWaalsContact CZ3-NE2 3.27Å; Q128-R130 VanDerWaalsContact C-N 3.26Å
129S93.9Very high96.7Very high103 Ų10334.3 Ų34.372%0.7219%0.186SC*.THydrogen-bonded Turntrans-77.4-15.9175.472.20000112.7D127D127-S129 VanDerWaalsContact CG-OG 3.26Å; D127-S129 PolarHBondContact O-N 3.47Å; D127-S129 VanDerWaalsContact O-N 3.11Å; D127-S129 WeakPolarHBondContact OD1-CB 3.47Å; D127-S129 PolarHBondContact OD1-N 2.63Å; D127-S129 PolarHBondContact OD1-OG 3.02Å; D127-S129 PolarHBondContact OD2-OG 3.28Å
130R95.6Very high96.6Very high127 Ų12735.1 Ų35.148%0.47919%0.19SC..THydrogen-bonded Turntrans-105.3-35.8-173.8-59.817771.6-155.57.7112.7Q98 D102 D127 Q128Q98-R130 HydrophobicContact CG-CB 4.49Å; Q98-R130 VanDerWaalsContact NE2-CZ 3.26Å; Q98-R130 VanDerWaalsContact NE2-NH1 3.15Å; D102-R130 IonicContact OD1-NH1 3.32Å; D102-R130 PolarHBondContact OD1-NH1 3.05Å; D102-R130 IonicContact OD2-NH1 2.89Å; D102-R130 PolarHBondContact OD2-NH1 2.67Å; D102-R130 VanDerWaalsContact OD2-NH1 3.14Å; D127-R130 HydrophobicContact CB-CG 4.18Å; D127-R130 PolarHBondContact O-N 3.25Å; D127-R130 WeakPolarHBondContact OD2-CD 3.48Å; D127-R130 WeakPolarHBondContact OD2-CG 3.24Å; Q128-R130 VanDerWaalsContact C-N 3.26Å
131Y96.4Very high96.6Very high8 Ų835.3 Ų35.33%0.03119%0.191CC..  trans-161.8163.2179.955.3-82.7000111.5Q98 A99 D102 F104 N125 W126 D127 D135 I136Q98-Y131 HydrophobicContact CB-CD1 3.95Å; Q98-Y131 HydrophobicContact CB-CE1 4.4Å; Q98-Y131 HydrophobicContact CG-CD1 3.59Å; Q98-Y131 HydrophobicContact CG-CE1 3.75Å; A99-Y131 HydrophobicContact CB-CD2 3.97Å; A99-Y131 HydrophobicContact CB-CE2 3.88Å; D102-Y131 WeakPolarHBondContact CB-OH 3.39Å; D102-Y131 WeakPolarHBondContact OD2-CE1 3.39Å; D102-Y131 PolarHBondContact OD2-OH 3.14Å; F104-Y131 HydrophobicContact CD2-CE2 4.29Å; F104-Y131 WeakPolarHBondContact CD2-OH 3.08Å; F104-Y131 WeakPolarHBondContact CE2-OH 2.84Å; N125-Y131 PolarHBondContact O-OH 3.08Å; W126-Y131 AromaticContact CD1-CE2 3.79Å; W126-Y131 PolarHBondContact NE1-O 2.89Å; D127-Y131 PolarHBondContact O-N 2.81Å; Y131-D135 HydrophobicContact CD2-CB 4.38Å; Y131-I136 HydrophobicContact CD2-CD1 4.37Å; Y131-I136 HydrophobicContact CD2-CG1 3.94Å; Y131-I136 HydrophobicContact CE2-CD1 3.79Å; Y131-I136 HydrophobicContact CE2-CG1 3.56Å
132T95.9Very high96.5Very high72 Ų7234.6 Ų34.644%0.44219%0.187SC..  trans-91.1167.6-175.171.60000112.1V134 D135 I136T132-V134 PolarHBondContact O-N 3.02Å; T132-V134 PolarHBondContact OG1-N 3.22Å; T132-D135 WeakPolarHBondContact CB-OD2 3.48Å; T132-D135 PolarHBondContact N-OD2 3.32Å; T132-D135 WeakPolarHBondContact O-CB 3.13Å; T132-D135 PolarHBondContact O-N 2.79Å; T132-D135 VanDerWaalsContact OG1-CG 3.31Å; T132-D135 PolarHBondContact OG1-N 3.07Å; T132-D135 VanDerWaalsContact OG1-N 3.08Å; T132-D135 PolarHBondContact OG1-OD2 2.9Å; T132-I136 PolarHBondContact O-N 3.21Å
133L95.1Very high96.5Very high31 Ų3134 Ų3416%0.16219%0.185CC..Hα-helixtrans-64.5-27.7168.8-166.171.2000111.7W126 D135 I136 L137 L175 M179W126-L133 HydrophobicContact CH2-CB 4.24Å; W126-L133 HydrophobicContact CH2-CD1 4.28Å; W126-L133 HydrophobicContact CZ2-CB 3.85Å; W126-L133 HydrophobicContact CZ2-CD1 4.29Å; W126-L133 HydrophobicContact CZ3-CD1 4.43Å; L133-D135 VanDerWaalsContact C-N 3.29Å; L133-I136 HydrophobicContact CD1-CD1 4.04Å; L133-I136 WeakPolarHBondContact O-CB 3.35Å; L133-I136 PolarHBondContact O-N 3.47Å; L133-L137 PolarHBondContact O-N 3.32Å; L133-L175 HydrophobicContact CD1-CD2 4.02Å; L133-L175 HydrophobicContact CD2-CD2 3.57Å; L133-L175 HydrophobicContact CG-CD2 4.41Å; L133-M179 HydrophobicContact CB-CE 3.31Å; L133-M179 HydrophobicContact CD2-CB 4.09Å; L133-M179 HydrophobicContact CD2-CE 3.73Å; L133-M179 HydrophobicContact CG-CE 4.16Å
134V96.3Very high96.5Very high44 Ų4433.6 Ų33.627%0.26718%0.181SC..Hα-helixtrans-66.2-37.4175.3178.30000109.6M85 T132 I136 L137 R138 L182M85-V134 HydrophobicContact CB-CG1 4.38Å; M85-V134 HydrophobicContact CG-CG1 3.82Å; M85-V134 HydrophobicContact SD-CG1 4.13Å; T132-V134 PolarHBondContact O-N 3.02Å; T132-V134 PolarHBondContact OG1-N 3.22Å; V134-I136 VanDerWaalsContact C-N 3.34Å; V134-I136 PolarHBondContact O-N 3.46Å; V134-L137 PolarHBondContact O-N 2.82Å; V134-R138 HydrophobicContact CG1-CG 4.42Å; V134-R138 WeakPolarHBondContact O-CB 3.23Å; V134-R138 VanDerWaalsContact O-CG 3.25Å; V134-R138 WeakPolarHBondContact O-CG 3.35Å; V134-R138 PolarHBondContact O-N 3.25Å; V134-L182 HydrophobicContact CG2-CD2 4.44Å
135D97.5Very high96.5Very high23 Ų2332 Ų3212%0.12317%0.169CC..Hα-helixtrans-64.7-36.9173.2-59.9-56000112.5Y131 T132 L133 R138 A139Y131-D135 HydrophobicContact CD2-CB 4.38Å; T132-D135 WeakPolarHBondContact CB-OD2 3.48Å; T132-D135 PolarHBondContact N-OD2 3.32Å; T132-D135 WeakPolarHBondContact O-CB 3.13Å; T132-D135 PolarHBondContact O-N 2.79Å; T132-D135 VanDerWaalsContact OG1-CG 3.31Å; T132-D135 PolarHBondContact OG1-N 3.07Å; T132-D135 VanDerWaalsContact OG1-N 3.08Å; T132-D135 PolarHBondContact OG1-OD2 2.9Å; L133-D135 VanDerWaalsContact C-N 3.29Å; D135-R138 PolarHBondContact O-N 3.49Å; D135-R138 IonicContact OD1-NH1 2.67Å; D135-R138 PolarHBondContact OD1-NH1 3.01Å; D135-R138 VanDerWaalsContact OD1-NH1 3.13Å; D135-A139 WeakPolarHBondContact O-CB 3.33Å; D135-A139 PolarHBondContact O-N 3.03Å
136I98.1Very high96.4Very high9 Ų930.2 Ų30.25%0.04616%0.162CC..Hα-helixtrans-60.8-47.7170.5-70.8168.5000110.6A99 F104 W126 Y131 T132 L133 V134 R138 A139 I140A99-I136 HydrophobicContact CB-CG1 4.23Å; F104-I136 HydrophobicContact CB-CB 4.47Å; F104-I136 HydrophobicContact CB-CG1 4.08Å; F104-I136 HydrophobicContact CB-CG2 4.01Å; F104-I136 HydrophobicContact CD1-CD1 4.36Å; F104-I136 HydrophobicContact CD1-CG1 4.49Å; F104-I136 HydrophobicContact CD1-CG2 4.13Å; F104-I136 HydrophobicContact CD2-CD1 4.14Å; F104-I136 HydrophobicContact CD2-CG1 4.13Å; F104-I136 HydrophobicContact CE2-CD1 4.27Å; F104-I136 HydrophobicContact CG-CD1 4.18Å; F104-I136 HydrophobicContact CG-CG1 3.99Å; F104-I136 HydrophobicContact CG-CG2 4.2Å; F104-I136 HydrophobicContact CZ-CD1 4.45Å; W126-I136 HydrophobicContact CB-CD1 4.08Å; W126-I136 VanDerWaalsContact CD1-CD1 3.46Å; W126-I136 HydrophobicContact CD2-CD1 4.18Å; W126-I136 HydrophobicContact CG-CD1 3.64Å; Y131-I136 HydrophobicContact CD2-CD1 4.37Å; Y131-I136 HydrophobicContact CD2-CG1 3.94Å; Y131-I136 HydrophobicContact CE2-CD1 3.79Å; Y131-I136 HydrophobicContact CE2-CG1 3.56Å; T132-I136 PolarHBondContact O-N 3.21Å; L133-I136 HydrophobicContact CD1-CD1 4.04Å; L133-I136 WeakPolarHBondContact O-CB 3.35Å; L133-I136 PolarHBondContact O-N 3.47Å; V134-I136 VanDerWaalsContact C-N 3.34Å; V134-I136 PolarHBondContact O-N 3.46Å; I136-R138 VanDerWaalsContact C-N 3.33Å; I136-R138 PolarHBondContact O-N 3.42Å; I136-A139 PolarHBondContact O-N 3.2Å; I136-I140 HydrophobicContact CG2-CD1 3.77Å; I136-I140 HydrophobicContact CG2-CG1 4.43Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.47Å; I136-I140 PolarHBondContact O-N 3.02Å
137L97.9Very high96.3Very high9 Ų930 Ų305%0.04716%0.162CC..Hα-helixtrans-61.5-43.117817760.2000111.3M85 L133 V134 A139 I140 L141 L182 A183 L187M85-L137 HydrophobicContact SD-CD2 3.75Å; M85-L137 HydrophobicContact SD-CG 4.2Å; L133-L137 PolarHBondContact O-N 3.32Å; V134-L137 PolarHBondContact O-N 2.82Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.3Å; L137-I140 PolarHBondContact O-N 2.98Å; L137-L141 HydrophobicContact CD1-CD1 4.1Å; L137-L141 HydrophobicContact CD1-CG 4.09Å; L137-L141 HydrophobicContact CG-CD1 4.03Å; L137-L141 HydrophobicContact CG-CG 4.45Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 3.45Å; L137-L182 HydrophobicContact CD2-CD2 4.26Å; L137-L182 HydrophobicContact CD2-CG 4.01Å; L137-A183 HydrophobicContact CD1-CB 3.98Å; L137-A183 HydrophobicContact CD2-CB 4.03Å; L137-L187 HydrophobicContact CD1-CD1 4.42Å; L137-L187 HydrophobicContact CD1-CG 4.32Å
138R97.6Very high96.3Very high16 Ų1626.9 Ų26.96%0.0615%0.145CC..Hα-helixtrans-57.4-48.1175.1-72168.579.4-140.90.6110.8M85 K87 S88 F89 D93 I96 V134 D135 I136 I140 L141 L142M85-R138 HydrophobicContact CG-CG 3.39Å; M85-R138 VanDerWaalsContact O-CD 3.26Å; M85-R138 WeakPolarHBondContact O-CD 3.35Å; M85-R138 WeakPolarHBondContact O-CG 3.32Å; M85-R138 PolarHBondContact O-NE 3.14Å; M85-R138 HydrophobicContact SD-CG 4.43Å; K87-R138 PolarHBondContact O-NH2 3.48Å; S88-R138 PolarHBondContact O-NH2 3.49Å; F89-R138 HydrophobicContact CD2-CB 4.33Å; F89-R138 HydrophobicContact CD2-CG 4.47Å; F89-R138 HydrophobicContact CE2-CB 3.88Å; F89-R138 HydrophobicContact CE2-CG 4.26Å; F89-R138 VanDerWaalsContact CE2-O 3.27Å; F89-R138 WeakPolarHBondContact CE2-O 3.38Å; F89-R138 WeakPolarHBondContact CZ-O 3.32Å; D93-R138 IonicContact OD1-CZ 3.56Å; D93-R138 IonicContact OD1-NH1 3.58Å; D93-R138 PolarHBondContact OD1-NH1 3.42Å; D93-R138 IonicContact OD1-NH2 3.94Å; D93-R138 IonicContact OD2-CZ 3.84Å; D93-R138 IonicContact OD2-NH1 3.36Å; D93-R138 IonicContact OD2-NH2 3.14Å; D93-R138 PolarHBondContact OD2-NH2 2.88Å; I96-R138 HydrophobicContact CD1-CB 3.85Å; I96-R138 HydrophobicContact CG1-CB 3.73Å; V134-R138 HydrophobicContact CG1-CG 4.42Å; V134-R138 WeakPolarHBondContact O-CB 3.23Å; V134-R138 VanDerWaalsContact O-CG 3.25Å; V134-R138 WeakPolarHBondContact O-CG 3.35Å; V134-R138 PolarHBondContact O-N 3.25Å; D135-R138 PolarHBondContact O-N 3.49Å; D135-R138 IonicContact OD1-NH1 2.67Å; D135-R138 PolarHBondContact OD1-NH1 3.01Å; D135-R138 VanDerWaalsContact OD1-NH1 3.13Å; I136-R138 VanDerWaalsContact C-N 3.33Å; I136-R138 PolarHBondContact O-N 3.42Å; R138-I140 PolarHBondContact O-N 2.79Å; R138-L141 PolarHBondContact O-N 2.89Å; R138-L142 VanDerWaalsContact O-CB 3.3Å; R138-L142 WeakPolarHBondContact O-CB 3.25Å; R138-L142 PolarHBondContact O-N 2.87Å
139A97.7Very high96.4Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-62.8-38.2177.700000113.2I96 A99 L100 F104 D135 I136 L137 S143I96-A139 HydrophobicContact CG2-CB 4.05Å; A99-A139 HydrophobicContact CB-CB 3.9Å; L100-A139 HydrophobicContact CD2-CB 4.05Å; L100-A139 HydrophobicContact CG-CB 4Å; F104-A139 WeakPolarHBondContact O-CB 3.18Å; D135-A139 WeakPolarHBondContact O-CB 3.33Å; D135-A139 PolarHBondContact O-N 3.03Å; I136-A139 PolarHBondContact O-N 3.2Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.3Å; A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 2.97Å; A139-S143 PolarHBondContact O-N 3.17Å; A139-S143 PolarHBondContact O-OG 2.92Å
140I98.3Very high96.4Very high20 Ų2027.1 Ų27.110%0.10314%0.137CC..Hα-helixtrans-65.4-48.8174.9-67.3166.6000110.9P105 L121 I136 L137 R138 L142 S143 L144 L187P105-I140 HydrophobicContact CB-CG1 4.24Å; P105-I140 HydrophobicContact CG-CG1 4.13Å; L121-I140 HydrophobicContact CD1-CD1 4.11Å; L121-I140 HydrophobicContact CD2-CD1 4.32Å; I136-I140 HydrophobicContact CG2-CD1 3.77Å; I136-I140 HydrophobicContact CG2-CG1 4.43Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.47Å; I136-I140 PolarHBondContact O-N 3.02Å; L137-I140 PolarHBondContact O-N 2.98Å; R138-I140 PolarHBondContact O-N 2.79Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.76Å; I140-S143 PolarHBondContact O-N 2.64Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.94Å; I140-L187 HydrophobicContact CG2-CD2 3.87Å
141L97.7Very high96.4Very high4 Ų422.4 Ų22.42%0.02112%0.123CC..Hα-helixtrans-61.2-44.1178.8-71.2172000111.1Y78 M85 F86 F89 L137 R138 S143 L144 E145 L187 F191Y78-L141 HydrophobicContact CE1-CD1 4.31Å; M85-L141 HydrophobicContact CE-CD1 3.94Å; F86-L141 HydrophobicContact CE1-CD1 4.37Å; F86-L141 HydrophobicContact CZ-CD1 4.19Å; F89-L141 HydrophobicContact CE2-CB 4.47Å; F89-L141 HydrophobicContact CZ-CB 3.81Å; L137-L141 HydrophobicContact CD1-CD1 4.1Å; L137-L141 HydrophobicContact CD1-CG 4.09Å; L137-L141 HydrophobicContact CG-CD1 4.03Å; L137-L141 HydrophobicContact CG-CG 4.45Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 3.45Å; R138-L141 PolarHBondContact O-N 2.89Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; L141-L144 PolarHBondContact O-N 3.24Å; L141-E145 PolarHBondContact O-N 3Å; L141-L187 HydrophobicContact CD2-CD2 3.93Å; L141-F191 HydrophobicContact CD2-CD2 3.85Å; L141-F191 HydrophobicContact CD2-CE2 4.49Å; L141-F191 HydrophobicContact CD2-CG 4.44Å
142L96.9Very high96.4Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-61.4-43.1177.5-171.572.9000111.6F89 A91 I96 R138 I140 L144 E145 A146 L265 Y270F89-L142 HydrophobicContact CD1-CD1 3.74Å; F89-L142 HydrophobicContact CE1-CB 4.05Å; F89-L142 HydrophobicContact CE1-CD1 3.59Å; F89-L142 HydrophobicContact CE1-CG 4.47Å; F89-L142 HydrophobicContact CE2-CB 4.23Å; F89-L142 HydrophobicContact CG-CD1 4.36Å; F89-L142 HydrophobicContact CZ-CB 3.71Å; F89-L142 HydrophobicContact CZ-CD1 4.09Å; A91-L142 HydrophobicContact CB-CD2 3.99Å; I96-L142 HydrophobicContact CG2-CD2 3.75Å; R138-L142 VanDerWaalsContact O-CB 3.3Å; R138-L142 WeakPolarHBondContact O-CB 3.25Å; R138-L142 PolarHBondContact O-N 2.87Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.76Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.37Å; L142-E145 PolarHBondContact O-N 3.28Å; L142-A146 PolarHBondContact O-N 3.29Å; L142-A146 VanDerWaalsContact O-N 3.12Å; L142-L265 HydrophobicContact CD2-CD2 3.84Å; L142-L265 HydrophobicContact CG-CD2 4.09Å; L142-Y270 HydrophobicContact CD1-CD1 3.37Å; L142-Y270 HydrophobicContact CD1-CE1 3.65Å; L142-Y270 HydrophobicContact CD1-CG 4.39Å; L142-Y270 HydrophobicContact CG-CD1 4.37Å
143S97.3Very high96.5Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-63.5-39.7176.7-60.50000111.8P105 A139 I140 L141 M147 W261P105-S143 WeakPolarHBondContact CD-OG 3.47Å; P105-S143 WeakPolarHBondContact CG-OG 3.42Å; A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 2.97Å; A139-S143 PolarHBondContact O-N 3.17Å; A139-S143 PolarHBondContact O-OG 2.92Å; I140-S143 PolarHBondContact O-N 2.64Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; S143-M147 WeakPolarHBondContact O-CB 3.25Å; S143-M147 WeakPolarHBondContact O-CG 3.3Å; S143-M147 PolarHBondContact O-N 3.06Å; S143-W261 VanDerWaalsContact CB-NE1 3.32Å; S143-W261 PolarHBondContact OG-NE1 2.8Å
144L97.6Very high96.6Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-69-37.4177-71.7170.3000112.1L119 I140 L141 L142 M147 I148 F158 L187 F191 F195L119-L144 HydrophobicContact CD1-CD2 3.79Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.94Å; L141-L144 PolarHBondContact O-N 3.24Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.37Å; L144-M147 PolarHBondContact O-N 3.16Å; L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG2 3.32Å; L144-I148 WeakPolarHBondContact O-CG2 3.38Å; L144-I148 PolarHBondContact O-N 3.36Å; L144-F158 HydrophobicContact CD2-CD1 3.96Å; L144-F158 HydrophobicContact CD2-CD2 4.34Å; L144-F158 HydrophobicContact CD2-CE1 3.9Å; L144-F158 HydrophobicContact CD2-CE2 4.28Å; L144-F158 HydrophobicContact CD2-CG 4.2Å; L144-F158 HydrophobicContact CD2-CZ 4.07Å; L144-L187 HydrophobicContact CD1-CD2 3.55Å; L144-F191 VanDerWaalsContact C-CZ 3.46Å; L144-F191 HydrophobicContact CB-CD1 4.31Å; L144-F191 HydrophobicContact CB-CE1 3.57Å; L144-F191 HydrophobicContact CB-CE2 3.97Å; L144-F191 HydrophobicContact CB-CZ 3.38Å; L144-F191 HydrophobicContact CD1-CD1 4.34Å; L144-F191 HydrophobicContact CD1-CE1 4.38Å; L144-F191 HydrophobicContact CG-CE1 4.46Å; L144-F195 HydrophobicContact CD1-CZ 4.11Å; L144-F195 HydrophobicContact CD2-CZ 4.29Å
145E96Very high96.7Very high0 Ų017.7 Ų17.70%09%0.093CC..Hα-helixtrans-59.1-50.2174-72.3-60.9166.600110.6R56 Y75 R79 L141 L142 M147 I148 F191 Y270R56-E145 IonicContact NH1-OE2 3.59Å; Y75-E145 WeakPolarHBondContact CE2-OE1 3.16Å; Y75-E145 PolarHBondContact OH-OE1 2.96Å; R79-E145 IonicContact CZ-OE1 3.31Å; R79-E145 IonicContact NH2-OE1 3.38Å; R79-E145 PolarHBondContact NH2-OE1 3.47Å; L141-E145 PolarHBondContact O-N 3Å; L142-E145 PolarHBondContact O-N 3.28Å; E145-M147 PolarHBondContact O-N 3.02Å; E145-I148 WeakPolarHBondContact O-CG2 3.41Å; E145-I148 PolarHBondContact O-N 2.98Å; E145-F191 VanDerWaalsContact CD-CE2 3.48Å; E145-F191 HydrophobicContact CG-CE2 3.88Å; E145-F191 HydrophobicContact CG-CZ 4.28Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.31Å; E145-Y270 HydrophobicContact CB-CE1 4.41Å; E145-Y270 HydrophobicContact CB-CE2 4.2Å
146A95.1Very high96.7Very high23 Ų2317.2 Ų17.219%0.199%0.091CC..Hα-helixtrans-63.3-40.817800000112.5L142 L265L142-A146 PolarHBondContact O-N 3.29Å; L142-A146 VanDerWaalsContact O-N 3.12Å; A146-L265 HydrophobicContact CB-CD1 3.48Å; A146-L265 VanDerWaalsContact CB-CD1 3.48Å
147M95.9Very high96.7Very high10 Ų1016.8 Ų16.85%0.0499%0.088CC..Hα-helixtrans-70.4-35.2179.8-72.6-178.9-169.300113K117 L119 S143 L144 E145 E149 D150 L153 F158 W261K117-M147 HydrophobicContact CG-SD 3.8Å; L119-M147 HydrophobicContact CD2-CE 3.57Å; L119-M147 HydrophobicContact CD2-SD 3.67Å; S143-M147 WeakPolarHBondContact O-CB 3.25Å; S143-M147 WeakPolarHBondContact O-CG 3.3Å; S143-M147 PolarHBondContact O-N 3.06Å; L144-M147 PolarHBondContact O-N 3.16Å; E145-M147 PolarHBondContact O-N 3.02Å; M147-E149 PolarHBondContact O-N 3.44Å; M147-D150 WeakPolarHBondContact O-CB 3.46Å; M147-D150 PolarHBondContact O-N 2.89Å; M147-L153 HydrophobicContact CB-CD1 4.02Å; M147-L153 WeakPolarHBondContact O-CD1 3.44Å; M147-F158 HydrophobicContact CB-CE1 3.8Å; M147-F158 HydrophobicContact CB-CZ 3.98Å; M147-F158 HydrophobicContact CG-CE1 4.45Å; M147-F158 HydrophobicContact SD-CD1 4.46Å; M147-F158 HydrophobicContact SD-CE1 3.82Å; M147-W261 HydrophobicContact CE-CD2 3.7Å; M147-W261 VanDerWaalsContact CE-CE2 3.41Å; M147-W261 HydrophobicContact CE-CE3 3.84Å; M147-W261 HydrophobicContact CE-CH2 3.47Å; M147-W261 VanDerWaalsContact CE-CH2 3.47Å; M147-W261 HydrophobicContact CE-CZ2 3.3Å; M147-W261 HydrophobicContact CE-CZ3 3.73Å; M147-W261 HydrophobicContact CG-CH2 3.61Å; M147-W261 HydrophobicContact CG-CZ2 3.87Å; M147-W261 HydrophobicContact CG-CZ3 4.43Å; M147-W261 HydrophobicContact SD-CH2 4.41Å; M147-W261 HydrophobicContact SD-CZ2 4.39Å
148I94.8Very high96.8Very high1 Ų116.4 Ų16.41%0.0059%0.086CC..Hα-helixtrans-78.7-4.5-176-155.9161000113.2L144 E145 D150 Q154 F191 P192L144-I148 VanDerWaalsContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG2 3.32Å; L144-I148 WeakPolarHBondContact O-CG2 3.38Å; L144-I148 PolarHBondContact O-N 3.36Å; E145-I148 WeakPolarHBondContact O-CG2 3.41Å; E145-I148 PolarHBondContact O-N 2.98Å; I148-D150 PolarHBondContact O-N 3.3Å; I148-Q154 HydrophobicContact CD1-CG 4.39Å; I148-Q154 HydrophobicContact CG1-CG 3.56Å; I148-Q154 WeakPolarHBondContact O-CG 3.34Å; I148-Q154 PolarHBondContact O-NE2 3.44Å; I148-F191 HydrophobicContact CD1-CE1 4.1Å; I148-F191 HydrophobicContact CG2-CE1 4.39Å; I148-F191 HydrophobicContact CG2-CZ 4.18Å; I148-P192 HydrophobicContact CD1-CB 4.44Å; I148-P192 HydrophobicContact CD1-CG 4.22Å; I148-P192 VanDerWaalsContact CD1-O 3.24Å; I148-P192 WeakPolarHBondContact CD1-O 3.4Å
149E92.4Very high96.8Very high99 Ų9915.6 Ų15.646%0.4638%0.083SC..THydrogen-bonded Turntrans-59.4-31164.8-67.9-175.4178.600111.9M147 P151M147-E149 PolarHBondContact O-N 3.44Å; E149-P151 VanDerWaalsContact O-CD 3.24Å; E149-P151 WeakPolarHBondContact O-CD 3.27Å
150D94.6Very high96.8Very high73 Ų7316.7 Ų16.739%0.399%0.089SC..SBendtrans-70.2115.1172.4-175.1-5.7000110.8M147 I148 E152 L153 Q154M147-D150 WeakPolarHBondContact O-CB 3.46Å; M147-D150 PolarHBondContact O-N 2.89Å; I148-D150 PolarHBondContact O-N 3.3Å; D150-E152 PolarHBondContact O-N 3.19Å; D150-E152 VanDerWaalsContact OD1-CB 3.29Å; D150-E152 WeakPolarHBondContact OD1-CB 3.24Å; D150-E152 PolarHBondContact OD1-N 3.1Å; D150-L153 HydrophobicContact CB-CB 4.39Å; D150-L153 HydrophobicContact CB-CD1 4.39Å; D150-L153 HydrophobicContact CB-CG 4.12Å; D150-L153 PolarHBondContact O-N 3.45Å; D150-Q154 PolarHBondContact O-N 3.48Å
151P95.6Very high96.9Very high29 Ų2915.8 Ų15.819%0.1888%0.084CC..Hα-helixtrans-56.7-31.6176.9-25.737.4000113.4L8 E149 L153 Q154 V155L8-P151 VanDerWaalsContact CD2-C 3.43Å; L8-P151 HydrophobicContact CD2-CB 3.54Å; L8-P151 WeakPolarHBondContact CD2-O 3.48Å; L8-P151 HydrophobicContact CG-CB 4.05Å; E149-P151 VanDerWaalsContact O-CD 3.24Å; E149-P151 WeakPolarHBondContact O-CD 3.27Å; P151-L153 VanDerWaalsContact C-N 3.28Å; P151-L153 PolarHBondContact O-N 2.88Å; P151-Q154 WeakPolarHBondContact O-CB 3.22Å; P151-Q154 PolarHBondContact O-N 2.7Å; P151-V155 PolarHBondContact O-N 2.93Å
152E96.9Very high96.9Very high32 Ų3216.5 Ų16.515%0.159%0.088CC..Hα-helixtrans-59.9-41.4176.6-75-75.2168.900110.9L8 S9 T12 D150 Q154 V155 N156L8-E152 HydrophobicContact CD2-CG 4.47Å; S9-E152 VanDerWaalsContact CB-OE1 3.23Å; S9-E152 WeakPolarHBondContact CB-OE1 3.17Å; S9-E152 PolarHBondContact N-OE1 3Å; S9-E152 PolarHBondContact OG-OE1 3.09Å; T12-E152 WeakPolarHBondContact CB-OE1 3.17Å; T12-E152 WeakPolarHBondContact CB-OE2 3.27Å; T12-E152 VanDerWaalsContact CG2-OE2 3.24Å; T12-E152 WeakPolarHBondContact CG2-OE2 3.4Å; T12-E152 PolarHBondContact OG1-OE1 3.18Å; T12-E152 PolarHBondContact OG1-OE2 3.03Å; D150-E152 PolarHBondContact O-N 3.19Å; D150-E152 VanDerWaalsContact OD1-CB 3.29Å; D150-E152 WeakPolarHBondContact OD1-CB 3.24Å; D150-E152 PolarHBondContact OD1-N 3.1Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.33Å; E152-V155 PolarHBondContact O-N 3.24Å; E152-N156 VanDerWaalsContact O-CB 3.29Å; E152-N156 WeakPolarHBondContact O-CB 3.11Å; E152-N156 PolarHBondContact O-N 2.92Å; E152-N156 PolarHBondContact O-ND2 3.47Å; E152-N156 PolarHBondContact OE2-ND2 3.13Å
153L97.5Very high97Very high10 Ų1017.1 Ų17.15%0.0529%0.091CC..Hα-helixtrans-76.3-22.6-179.3-60.9-170.1000113L111 K117 M147 D150 P151 V155 G157 F158L111-L153 HydrophobicContact CD2-CD2 4.29Å; K117-L153 HydrophobicContact CB-CD1 3.88Å; K117-L153 HydrophobicContact CB-CD2 3.77Å; K117-L153 HydrophobicContact CB-CG 4.49Å; K117-L153 HydrophobicContact CG-CD1 4.19Å; M147-L153 HydrophobicContact CB-CD1 4.02Å; M147-L153 WeakPolarHBondContact O-CD1 3.44Å; D150-L153 HydrophobicContact CB-CB 4.39Å; D150-L153 HydrophobicContact CB-CD1 4.39Å; D150-L153 HydrophobicContact CB-CG 4.12Å; D150-L153 PolarHBondContact O-N 3.45Å; P151-L153 VanDerWaalsContact C-N 3.28Å; P151-L153 PolarHBondContact O-N 2.88Å; L153-V155 VanDerWaalsContact C-N 3.33Å; L153-G157 WeakPolarHBondContact O-CA 3.36Å; L153-G157 PolarHBondContact O-N 3.34Å; L153-F158 HydrophobicContact CB-CE2 4.48Å; L153-F158 HydrophobicContact CB-CZ 4.01Å; L153-F158 HydrophobicContact CD1-CE1 4.1Å; L153-F158 HydrophobicContact CD1-CZ 4.25Å
154Q97.8Very high97Very high13 Ų1318.1 Ų18.16%0.06110%0.095CC..Hα-helixtrans-65.6-38.3169.2-60.9169.920.600111.4R56 R59 I148 D150 P151 E152R56-Q154 HydrophobicContact CG-CG 4.47Å; R59-Q154 HydrophobicContact CB-CB 4.49Å; I148-Q154 HydrophobicContact CD1-CG 4.39Å; I148-Q154 HydrophobicContact CG1-CG 3.56Å; I148-Q154 WeakPolarHBondContact O-CG 3.34Å; I148-Q154 PolarHBondContact O-NE2 3.44Å; D150-Q154 PolarHBondContact O-N 3.48Å; P151-Q154 WeakPolarHBondContact O-CB 3.22Å; P151-Q154 PolarHBondContact O-N 2.7Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.33Å
155V97.7Very high96.9Very high1 Ų119.9 Ų19.91%0.00611%0.107CC..Hα-helixtrans-89.6-32.2-178-179.30000113L8 T12 K15 A16 L20 P151 E152 L153 R194L8-V155 HydrophobicContact CD1-CG2 4.36Å; L8-V155 HydrophobicContact CD2-CG2 4.13Å; T12-V155 HydrophobicContact CG2-CB 3.46Å; T12-V155 VanDerWaalsContact CG2-CB 3.46Å; T12-V155 HydrophobicContact CG2-CG1 3.44Å; T12-V155 VanDerWaalsContact CG2-CG1 3.44Å; T12-V155 HydrophobicContact CG2-CG2 4Å; K15-V155 HydrophobicContact CB-CG1 4.42Å; K15-V155 HydrophobicContact CD-CG1 4.41Å; K15-V155 HydrophobicContact CG-CG1 4.34Å; A16-V155 HydrophobicContact CB-CG1 3.87Å; A16-V155 HydrophobicContact CB-CG2 4.04Å; L20-V155 HydrophobicContact CD1-CB 4.32Å; L20-V155 HydrophobicContact CD1-CG1 3.99Å; L20-V155 HydrophobicContact CD1-CG2 4.18Å; P151-V155 PolarHBondContact O-N 2.93Å; E152-V155 PolarHBondContact O-N 3.24Å; L153-V155 VanDerWaalsContact C-N 3.33Å; V155-R194 VanDerWaalsContact C-NH1 3.34Å; V155-R194 PolarHBondContact O-NH1 3.28Å
156N97.9Very high97Very high13 Ų1326.8 Ų26.87%0.0714%0.144CC..Hα-helixtrans-92.2-42.8-179.3-66.4-40.5000111.2T12 K15 G115 R116 E152T12-N156 PolarHBondContact OG1-ND2 3.38Å; K15-N156 WeakPolarHBondContact CD-OD1 3.31Å; K15-N156 PolarHBondContact NZ-OD1 2.89Å; G115-N156 WeakPolarHBondContact O-CB 3.45Å; R116-N156 WeakPolarHBondContact CG-O 3.2Å; E152-N156 VanDerWaalsContact O-CB 3.29Å; E152-N156 WeakPolarHBondContact O-CB 3.11Å; E152-N156 PolarHBondContact O-N 2.92Å; E152-N156 PolarHBondContact O-ND2 3.47Å; E152-N156 PolarHBondContact OE2-ND2 3.13Å
157G97.9Very high97Very high0 Ų026.2 Ų26.20%014%0.137CC..  trans86.7-156.1179.500000113.3R116 K117 L153 R194R116-G157 VanDerWaalsContact CA-O 3.25Å; R116-G157 WeakPolarHBondContact CA-O 3.47Å; R116-G157 WeakPolarHBondContact CB-O 3.49Å; K117-G157 PolarHBondContact N-O 2.89Å; L153-G157 WeakPolarHBondContact O-CA 3.36Å; L153-G157 PolarHBondContact O-N 3.34Å; G157-R194 CarbonylContact C-O 3.2Å; G157-R194 WeakPolarHBondContact CA-O 3.28Å
158F98.6Very high97Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-131.1157.2-166.6-59.8-93.6000111.8K117 L119 L144 M147 L153 A193 R194 F195 G196K117-F158 HydrophobicContact CB-CD1 3.7Å; K117-F158 HydrophobicContact CB-CE1 3.91Å; K117-F158 HydrophobicContact CG-CD1 4.19Å; K117-F158 HydrophobicContact CG-CE1 4.24Å; K117-F158 CarbonylContact O-C 3.35Å; K117-F158 VanDerWaalsContact O-CA 3.28Å; K117-F158 WeakPolarHBondContact O-CA 3.37Å; L119-F158 HydrophobicContact CD1-CD1 4.27Å; L119-F158 HydrophobicContact CG-CD1 4.4Å; L144-F158 HydrophobicContact CD2-CD1 3.96Å; L144-F158 HydrophobicContact CD2-CD2 4.34Å; L144-F158 HydrophobicContact CD2-CE1 3.9Å; L144-F158 HydrophobicContact CD2-CE2 4.28Å; L144-F158 HydrophobicContact CD2-CG 4.2Å; L144-F158 HydrophobicContact CD2-CZ 4.07Å; M147-F158 HydrophobicContact CB-CE1 3.8Å; M147-F158 HydrophobicContact CB-CZ 3.98Å; M147-F158 HydrophobicContact CG-CE1 4.45Å; M147-F158 HydrophobicContact SD-CD1 4.46Å; M147-F158 HydrophobicContact SD-CE1 3.82Å; L153-F158 HydrophobicContact CB-CE2 4.48Å; L153-F158 HydrophobicContact CB-CZ 4.01Å; L153-F158 HydrophobicContact CD1-CE1 4.1Å; L153-F158 HydrophobicContact CD1-CZ 4.25Å; F158-A193 HydrophobicContact CD2-CB 3.91Å; F158-A193 HydrophobicContact CE2-CB 4.02Å; F158-R194 PolarHBondContact N-O 3.35Å; F158-F195 HydrophobicContact CB-CD1 3.91Å; F158-F195 HydrophobicContact CB-CE1 3.85Å; F158-F195 CarbonylContact O-C 3.52Å; F158-F195 WeakPolarHBondContact O-CA 3.41Å; F158-G196 PolarHBondContact O-N 3.36Å
159V98.4Very high97Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-125.7139.1165.3175.70000107.9D112 R116 K117 L119 I161 G197 H199 I240D112-V159 WeakPolarHBondContact OD2-CG2 3.29Å; R116-V159 HydrophobicContact CB-CG2 4Å; R116-V159 VanDerWaalsContact CZ-CG2 3.41Å; R116-V159 VanDerWaalsContact NE-CG2 3.28Å; K117-V159 PolarHBondContact O-N 2.9Å; L119-V159 PolarHBondContact N-O 3.34Å; V159-I161 HydrophobicContact CG1-CG1 4.49Å; V159-G197 WeakPolarHBondContact CA-O 3.46Å; V159-H199 VanDerWaalsContact CG1-CD2 3.43Å; V159-H199 WeakPolarHBondContact CG1-CD2 3.34Å; V159-I240 HydrophobicContact CG1-CD1 3.67Å
160L98.6Very high97Very high23 Ų2337.3 Ų37.312%0.1219%0.189CC..EExtended strand (participates in β ladder)trans-112.8127.5177-177.761.1000109.5L119 L121 I162 F195 G197 I198 H199L119-L160 HydrophobicContact CB-CD1 3.73Å; L119-L160 CarbonylContact O-C 3.53Å; L119-L160 WeakPolarHBondContact O-CA 3.46Å; L121-L160 HydrophobicContact CD1-CD1 4.13Å; L121-L160 HydrophobicContact CD2-CD1 4.48Å; L121-L160 HydrophobicContact CG-CD1 3.87Å; L160-I162 HydrophobicContact CD1-CG1 4.5Å; L160-I162 HydrophobicContact CD2-CD1 3.99Å; L160-I162 HydrophobicContact CD2-CG1 4.14Å; L160-I162 HydrophobicContact CG-CD1 4.33Å; L160-I162 HydrophobicContact CG-CG1 3.93Å; L160-F195 HydrophobicContact CB-CD1 4.5Å; L160-F195 HydrophobicContact CB-CE1 4.49Å; L160-G197 PolarHBondContact N-O 2.86Å; L160-I198 HydrophobicContact CB-CG1 4.43Å; L160-I198 HydrophobicContact CB-CG2 4.25Å; L160-I198 HydrophobicContact CD2-CG2 4.08Å; L160-I198 HydrophobicContact CG-CG2 4.35Å; L160-I198 CarbonylContact O-C 3.6Å; L160-I198 WeakPolarHBondContact O-CA 3.38Å; L160-H199 PolarHBondContact O-N 2.82Å
161I98.7Very high97Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-114.1126.5170.5-49.4175.9000107.8I118 L119 V120 L121 V159 H199 V201 I240 L245 F249I118-I161 HydrophobicContact CG2-CD1 3.71Å; I118-I161 HydrophobicContact CG2-CG1 4.08Å; L119-I161 PolarHBondContact O-N 3.25Å; V120-I161 CarbonylContact C-O 3.5Å; V120-I161 WeakPolarHBondContact CA-O 3.15Å; V120-I161 HydrophobicContact CG1-CB 4.35Å; L121-I161 PolarHBondContact N-O 2.89Å; V159-I161 HydrophobicContact CG1-CG1 4.49Å; I161-H199 CarbonylContact C-O 3.58Å; I161-H199 WeakPolarHBondContact CA-O 3.44Å; I161-H199 HydrophobicContact CG1-CB 4.34Å; I161-H199 HydrophobicContact CG2-CB 4.39Å; I161-V201 HydrophobicContact CG2-CG1 4.36Å; I161-V201 HydrophobicContact CG2-CG2 4.35Å; I161-I240 HydrophobicContact CD1-CD1 3.73Å; I161-I240 HydrophobicContact CG1-CD1 4.05Å; I161-L245 HydrophobicContact CD1-CD2 3.77Å; I161-F249 HydrophobicContact CB-CE1 4.32Å; I161-F249 HydrophobicContact CB-CZ 4.49Å; I161-F249 HydrophobicContact CG2-CD1 3.7Å; I161-F249 HydrophobicContact CG2-CE1 3.4Å; I161-F249 HydrophobicContact CG2-CZ 4.02Å
162I98.3Very high96.9Very high20 Ų2034.2 Ų34.210%0.10317%0.172CC..EExtended strand (participates in β ladder)trans-117110.8178.9-48.5179.1000107.6L121 L160 W164 I198 H199 F200 V201L121-I162 HydrophobicContact CB-CG1 4.45Å; L121-I162 HydrophobicContact CB-CG2 4.24Å; L121-I162 HydrophobicContact CD1-CD1 4.41Å; L121-I162 HydrophobicContact CD1-CG1 4.22Å; L121-I162 WeakPolarHBondContact O-CA 3.42Å; L160-I162 HydrophobicContact CD1-CG1 4.5Å; L160-I162 HydrophobicContact CD2-CD1 3.99Å; L160-I162 HydrophobicContact CD2-CG1 4.14Å; L160-I162 HydrophobicContact CG-CD1 4.33Å; L160-I162 HydrophobicContact CG-CG1 3.93Å; I162-W164 HydrophobicContact CG2-CD2 4.28Å; I162-W164 HydrophobicContact CG2-CZ2 3.86Å; I162-W164 VanDerWaalsContact CG2-NE1 3.33Å; I162-W164 VanDerWaalsContact O-CD1 3.24Å; I162-I198 HydrophobicContact CD1-CG2 4.34Å; I162-H199 PolarHBondContact N-O 3.29Å; I162-F200 HydrophobicContact CD1-CE1 4.13Å; I162-F200 HydrophobicContact CD1-CZ 4.08Å; I162-V201 PolarHBondContact O-N 2.99Å
163D98.3Very high96.6Very high13 Ų1336.3 Ų36.37%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-83.3121.6170.3-169.67.8000110.2L121 F122 A123 S165 V201 N202 F249L121-D163 PolarHBondContact O-N 2.83Å; F122-D163 HydrophobicContact CD1-CB 3.93Å; F122-D163 HydrophobicContact CE1-CB 4.38Å; A123-D163 VanDerWaalsContact CB-O 3.28Å; A123-D163 WeakPolarHBondContact CB-O 3.29Å; A123-D163 PolarHBondContact N-O 3.31Å; D163-S165 VanDerWaalsContact OD1-CB 3.23Å; D163-S165 WeakPolarHBondContact OD1-CB 3.34Å; D163-S165 PolarHBondContact OD1-N 3.33Å; D163-S165 PolarHBondContact OD1-OG 3.26Å; D163-S165 PolarHBondContact OD2-OG 2.78Å; D163-V201 HydrophobicContact CB-CG2 4Å; D163-N202 PolarHBondContact OD1-ND2 2.91Å; D163-F249 HydrophobicContact CB-CE1 3.9Å; D163-F249 HydrophobicContact CB-CZ 4.38Å
164W97.8Very high96.3Very high21 Ų2141 Ų418%0.0821%0.211CC..  trans-102.45.6177.7-65.489.1000112.8A123 I162 N166 F167 F200 V201 Q203 I207 L210A123-W164 HydrophobicContact CB-CD2 4.29Å; A123-W164 HydrophobicContact CB-CE3 3.9Å; A123-W164 HydrophobicContact CB-CZ3 4.22Å; I162-W164 HydrophobicContact CG2-CD2 4.28Å; I162-W164 HydrophobicContact CG2-CZ2 3.86Å; I162-W164 VanDerWaalsContact CG2-NE1 3.33Å; I162-W164 VanDerWaalsContact O-CD1 3.24Å; W164-N166 PolarHBondContact O-N 3.02Å; W164-F167 HydrophobicContact CE3-CB 4.07Å; W164-F167 AromaticContact CE3-CD1 3.46Å; W164-F167 HydrophobicContact CE3-CD1 3.46Å; W164-F167 VanDerWaalsContact CE3-CD1 3.46Å; W164-F167 AromaticContact CE3-CE1 3.94Å; W164-F167 HydrophobicContact CE3-CE1 3.94Å; W164-F167 AromaticContact CE3-CG 3.77Å; W164-F167 HydrophobicContact CE3-CG 3.77Å; W164-F167 AromaticContact CZ3-CD1 3.54Å; W164-F167 HydrophobicContact CZ3-CD1 3.54Å; W164-F167 AromaticContact CZ3-CE1 3.49Å; W164-F167 HydrophobicContact CZ3-CE1 3.49Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.49Å; W164-F167 HydrophobicContact CZ3-CG 4.1Å; W164-F167 HydrophobicContact CZ3-CZ 4Å; W164-F167 VanDerWaalsContact O-CB 3.27Å; W164-F167 WeakPolarHBondContact O-CB 3.24Å; W164-F167 PolarHBondContact O-N 3.02Å; W164-F200 AromaticContact CD1-CD2 3.93Å; W164-F200 AromaticContact CE2-CD2 3.62Å; W164-F200 AromaticContact CE2-CE2 3.78Å; W164-F200 AromaticContact CZ2-CD2 3.87Å; W164-F200 HydrophobicContact CZ2-CD2 3.87Å; W164-F200 AromaticContact CZ2-CE2 3.5Å; W164-F200 HydrophobicContact CZ2-CE2 3.5Å; W164-F200 HydrophobicContact CZ2-CZ 4.42Å; W164-F200 AromaticContact NE1-CD2 3.02Å; W164-F200 AromaticContact NE1-CE2 3.6Å; W164-F200 AromaticContact NE1-CG 3.64Å; W164-V201 PolarHBondContact N-O 3.47Å; W164-Q203 HydrophobicContact CB-CB 3.93Å; W164-Q203 HydrophobicContact CG-CB 3.8Å; W164-I207 HydrophobicContact CD2-CD1 4Å; W164-I207 HydrophobicContact CD2-CG1 3.9Å; W164-I207 HydrophobicContact CD2-CG2 4.24Å; W164-I207 HydrophobicContact CE3-CD1 3.34Å; W164-I207 HydrophobicContact CE3-CG1 3.71Å; W164-I207 HydrophobicContact CG-CG1 4.38Å; W164-I207 HydrophobicContact CH2-CD1 3.89Å; W164-I207 HydrophobicContact CZ2-CD1 4.49Å; W164-I207 HydrophobicContact CZ2-CG2 4.14Å; W164-I207 HydrophobicContact CZ3-CD1 3.28Å; W164-I207 HydrophobicContact CZ3-CG1 4.13Å; W164-L210 HydrophobicContact CH2-CD2 4.2Å
165S96.9Very high96.1Very high37 Ų3741.4 Ų41.426%0.25921%0.213SC..THydrogen-bonded Turntrans-51130.8172.3-620000110.3A124 D163 F167 N202A124-S165 VanDerWaalsContact CB-O 3.27Å; A124-S165 WeakPolarHBondContact CB-O 3.27Å; D163-S165 VanDerWaalsContact OD1-CB 3.23Å; D163-S165 WeakPolarHBondContact OD1-CB 3.34Å; D163-S165 PolarHBondContact OD1-N 3.33Å; D163-S165 PolarHBondContact OD1-OG 3.26Å; D163-S165 PolarHBondContact OD2-OG 2.78Å; S165-F167 PolarHBondContact O-N 3.14Å; S165-N202 WeakPolarHBondContact OG-CB 3.46Å; S165-N202 VanDerWaalsContact OG-CG 3.27Å; S165-N202 PolarHBondContact OG-ND2 3.02Å
166N96.3Very high95.8Very high144 Ų14443.9 Ų43.977%0.7723%0.228SC*.THydrogen-bonded Turntrans59.75.9-179.8-52-50.6000115.7A124 W164 T168A124-N166 HydrophobicContact CB-CB 4Å; W164-N166 PolarHBondContact O-N 3.02Å; N166-T168 PolarHBondContact O-N 3.48Å
167F96.8Very high95.6Very high11 Ų1146.6 Ų46.65%0.04825%0.247CC..  trans-62.9133168.5-168-113.7000108.1A123 W126 W164 S165 Q171 A172 L175 Y206 I207A123-F167 HydrophobicContact CB-CB 4.24Å; A123-F167 HydrophobicContact CB-CD2 3.67Å; A123-F167 HydrophobicContact CB-CE2 4.18Å; A123-F167 HydrophobicContact CB-CG 4.06Å; A123-F167 WeakPolarHBondContact O-CD2 3.42Å; W126-F167 HydrophobicContact CE3-CE2 4.09Å; W126-F167 HydrophobicContact CE3-CZ 4.35Å; W126-F167 HydrophobicContact CZ3-CZ 4.46Å; W164-F167 HydrophobicContact CE3-CB 4.07Å; W164-F167 AromaticContact CE3-CD1 3.46Å; W164-F167 HydrophobicContact CE3-CD1 3.46Å; W164-F167 VanDerWaalsContact CE3-CD1 3.46Å; W164-F167 AromaticContact CE3-CE1 3.94Å; W164-F167 HydrophobicContact CE3-CE1 3.94Å; W164-F167 AromaticContact CE3-CG 3.77Å; W164-F167 HydrophobicContact CE3-CG 3.77Å; W164-F167 AromaticContact CZ3-CD1 3.54Å; W164-F167 HydrophobicContact CZ3-CD1 3.54Å; W164-F167 AromaticContact CZ3-CE1 3.49Å; W164-F167 HydrophobicContact CZ3-CE1 3.49Å; W164-F167 VanDerWaalsContact CZ3-CE1 3.49Å; W164-F167 HydrophobicContact CZ3-CG 4.1Å; W164-F167 HydrophobicContact CZ3-CZ 4Å; W164-F167 VanDerWaalsContact O-CB 3.27Å; W164-F167 WeakPolarHBondContact O-CB 3.24Å; W164-F167 PolarHBondContact O-N 3.02Å; S165-F167 PolarHBondContact O-N 3.14Å; F167-Q171 HydrophobicContact CD2-CB 3.91Å; F167-Q171 HydrophobicContact CE1-CB 4.15Å; F167-Q171 HydrophobicContact CE2-CB 3.32Å; F167-Q171 HydrophobicContact CE2-CG 4.14Å; F167-Q171 HydrophobicContact CZ-CB 3.46Å; F167-Q171 VanDerWaalsContact CZ-CB 3.46Å; F167-A172 HydrophobicContact CD1-CB 4.33Å; F167-A172 HydrophobicContact CE1-CB 3.65Å; F167-L175 HydrophobicContact CE1-CD1 4.29Å; F167-L175 HydrophobicContact CZ-CD1 4.12Å; F167-Y206 HydrophobicContact CD1-CE2 4.25Å; F167-Y206 PolarHBondContact O-OH 3.2Å; F167-I207 HydrophobicContact CD1-CD1 4.1Å; F167-I207 HydrophobicContact CE1-CD1 4.23Å
168T95.8Very high95.3Very high63 Ų6350.6 Ų50.639%0.38727%0.274SS..  trans-99.1154.2-172.5650000111.5N166 K170 Q171 A172N166-T168 PolarHBondContact O-N 3.48Å; T168-K170 PolarHBondContact O-N 3.41Å; T168-Q171 PolarHBondContact O-N 3.09Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.45Å; T168-Q171 PolarHBondContact OG1-N 3.08Å; T168-Q171 VanDerWaalsContact OG1-N 3.09Å; T168-Q171 PolarHBondContact OG1-OE1 2.86Å; T168-A172 PolarHBondContact O-N 2.98Å
169F93.8Very high95.1Very high122 Ų12252.9 Ų52.954%0.53529%0.285SS..Hα-helixtrans-59.7-31.3171.1-172.6-97000112.2A172 S173 Y206F169-A172 PolarHBondContact O-N 3.39Å; F169-S173 WeakPolarHBondContact O-CB 3.33Å; F169-S173 PolarHBondContact O-N 3.3Å; F169-Y206 HydrophobicContact CB-CE1 4.3Å; F169-Y206 AromaticContact CD2-CD1 3.88Å; F169-Y206 HydrophobicContact CD2-CD1 3.88Å; F169-Y206 HydrophobicContact CD2-CD2 4.33Å; F169-Y206 HydrophobicContact CD2-CE1 4.34Å; F169-Y206 AromaticContact CD2-CG 3.86Å; F169-Y206 HydrophobicContact CD2-CG 3.86Å; F169-Y206 HydrophobicContact CE2-CG 4.45Å; F169-Y206 PolarHBondContact N-OH 3.14Å
170K93Very high94.9Very high158 Ų15854 Ų5469%0.68729%0.291SS*.Hα-helixtrans-63.5-40173.7-177.7-177.1175-172.80111.7T168 S173 K174T168-K170 PolarHBondContact O-N 3.41Å; K170-S173 PolarHBondContact O-OG 3.42Å; K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.45Å
171Q94.2Very high94.8Very high25 Ų2558.7 Ų58.712%0.11731%0.308CS..Hα-helixtrans-69.6-43173.4-72161-56.100110.8A124 W126 F167 T168 S173 K174A124-Q171 PolarHBondContact O-NE2 3.43Å; W126-Q171 HydrophobicContact CE3-CB 4.42Å; W126-Q171 PolarHBondContact O-NE2 3.28Å; F167-Q171 HydrophobicContact CD2-CB 3.91Å; F167-Q171 HydrophobicContact CE1-CB 4.15Å; F167-Q171 HydrophobicContact CE2-CB 3.32Å; F167-Q171 HydrophobicContact CE2-CG 4.14Å; F167-Q171 HydrophobicContact CZ-CB 3.46Å; F167-Q171 VanDerWaalsContact CZ-CB 3.46Å; T168-Q171 PolarHBondContact O-N 3.09Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.45Å; T168-Q171 PolarHBondContact OG1-N 3.08Å; T168-Q171 VanDerWaalsContact OG1-N 3.09Å; T168-Q171 PolarHBondContact OG1-OE1 2.86Å; Q171-S173 VanDerWaalsContact C-N 3.33Å; Q171-S173 PolarHBondContact O-N 2.97Å; Q171-K174 WeakPolarHBondContact O-CB 3.5Å; Q171-K174 PolarHBondContact O-N 3.22Å; Q171-K174 VanDerWaalsContact O-N 3.14Å
172A92.9Very high94.7Very high13 Ų1360.1 Ų60.111%0.10732%0.315CS..Hα-helixtrans-59.3-40.2178.700000113.1F167 T168 F169 K174 L175 Y206F167-A172 HydrophobicContact CD1-CB 4.33Å; F167-A172 HydrophobicContact CE1-CB 3.65Å; T168-A172 PolarHBondContact O-N 2.98Å; F169-A172 PolarHBondContact O-N 3.39Å; A172-K174 PolarHBondContact O-N 3.28Å; A172-L175 WeakPolarHBondContact O-CB 3.39Å; A172-L175 PolarHBondContact O-N 2.82Å; A172-L175 VanDerWaalsContact O-N 3.07Å; A172-Y206 HydrophobicContact CB-CD2 3.8Å; A172-Y206 HydrophobicContact CB-CE2 3.79Å
173S91.3Very high94.6Very high76 Ų7660.3 Ų60.353%0.53132%0.319SS..THydrogen-bonded Turntrans-66-9.1-179.870.50000114.3F169 K170 Q171F169-S173 WeakPolarHBondContact O-CB 3.33Å; F169-S173 PolarHBondContact O-N 3.3Å; K170-S173 PolarHBondContact O-OG 3.42Å; Q171-S173 VanDerWaalsContact C-N 3.33Å; Q171-S173 PolarHBondContact O-N 2.97Å
174K92.2Very high94.6Very high109 Ų10960.6 Ų60.647%0.47432%0.321SS..THydrogen-bonded Turntrans-97-8.2179.4-59.4-82.1-177.2-173.30112.2W126 K170 Q171 A172 T176W126-K174 HydrophobicContact CH2-CB 4.18Å; K170-K174 VanDerWaalsContact O-CG 3.29Å; K170-K174 WeakPolarHBondContact O-CG 3.45Å; Q171-K174 WeakPolarHBondContact O-CB 3.5Å; Q171-K174 PolarHBondContact O-N 3.22Å; Q171-K174 VanDerWaalsContact O-N 3.14Å; A172-K174 PolarHBondContact O-N 3.28Å; K174-T176 PolarHBondContact O-N 3.31Å
175L92.4Very high94.5Very high21 Ų2162.2 Ų62.211%0.1133%0.329CS..  trans-78.6104172.2-58.6177.6000108.7W126 L133 F167 A172 L180 L210W126-L175 HydrophobicContact CH2-CD2 3.83Å; W126-L175 HydrophobicContact CZ3-CD2 3.54Å; W126-L175 HydrophobicContact CZ3-CG 4.22Å; L133-L175 HydrophobicContact CD1-CD2 4.02Å; L133-L175 HydrophobicContact CD2-CD2 3.57Å; L133-L175 HydrophobicContact CG-CD2 4.41Å; F167-L175 HydrophobicContact CE1-CD1 4.29Å; F167-L175 HydrophobicContact CZ-CD1 4.12Å; A172-L175 WeakPolarHBondContact O-CB 3.39Å; A172-L175 PolarHBondContact O-N 2.82Å; A172-L175 VanDerWaalsContact O-N 3.07Å; L175-L180 HydrophobicContact CB-CD1 4.26Å; L175-L180 HydrophobicContact CB-CD2 4.4Å; L175-L180 HydrophobicContact CB-CG 4.49Å; L175-L210 HydrophobicContact CB-CD1 4.1Å; L175-L210 HydrophobicContact CD1-CD1 4.25Å; L175-L210 HydrophobicContact CD1-CD2 3.49Å; L175-L210 VanDerWaalsContact CD1-CD2 3.49Å
176T92.5Very high94.5Very high53 Ų5360.5 Ų60.533%0.32532%0.317SS..  trans-88.4150.5178.270.20000111K174 S178 M179 L180K174-T176 PolarHBondContact O-N 3.31Å; T176-S178 PolarHBondContact O-N 3.13Å; T176-S178 PolarHBondContact OG1-OG 3.27Å; T176-S178 VanDerWaalsContact OG1-OG 3.11Å; T176-M179 HydrophobicContact CG2-SD 3.93Å; T176-M179 PolarHBondContact O-N 3.27Å; T176-M179 WeakPolarHBondContact OG1-CB 3.31Å; T176-M179 WeakPolarHBondContact OG1-CG 3.43Å; T176-M179 PolarHBondContact OG1-N 3.41Å; T176-M179 PolarHBondContact OG1-SD 3.24Å; T176-L180 WeakPolarHBondContact O-CG 3.44Å; T176-L180 PolarHBondContact O-N 3.06Å; T176-L180 VanDerWaalsContact O-N 3.07Å
177P92.2Very high94.5Very high70 Ų7055.4 Ų55.446%0.45529%0.29SS..Hα-helixtrans-56.7-35.2176.5-26.234.3000113.7R181 V213P177-R181 WeakPolarHBondContact O-CB 3.47Å; P177-R181 PolarHBondContact O-N 2.92Å; P177-V213 HydrophobicContact CB-CG1 4.2Å; P177-V213 HydrophobicContact CG-CG1 3.93Å
178S93.2Very high94.5Very high83 Ų8356.2 Ų56.258%0.5829%0.294SS*.Hα-helixtrans-66.7-42.8177.850.30000112.1T176 R181 L182T176-S178 PolarHBondContact O-N 3.13Å; T176-S178 PolarHBondContact OG1-OG 3.27Å; T176-S178 VanDerWaalsContact OG1-OG 3.11Å; S178-R181 PolarHBondContact O-N 2.94Å; S178-L182 WeakPolarHBondContact O-CB 3.26Å; S178-L182 PolarHBondContact O-N 3.19Å
179M93.8Very high94.4Very high48 Ų4854.8 Ų54.824%0.23628%0.284CS..Hα-helixtrans-65.8-40.8177.1-67.4160.969.300111.9L133 T176 L182 A183L133-M179 HydrophobicContact CB-CE 3.31Å; L133-M179 HydrophobicContact CD2-CB 4.09Å; L133-M179 HydrophobicContact CD2-CE 3.73Å; L133-M179 HydrophobicContact CG-CE 4.16Å; T176-M179 HydrophobicContact CG2-SD 3.93Å; T176-M179 PolarHBondContact O-N 3.27Å; T176-M179 WeakPolarHBondContact OG1-CB 3.31Å; T176-M179 WeakPolarHBondContact OG1-CG 3.43Å; T176-M179 PolarHBondContact OG1-N 3.41Å; T176-M179 PolarHBondContact OG1-SD 3.24Å; M179-L182 PolarHBondContact O-N 2.96Å; M179-A183 PolarHBondContact O-N 3.14Å; M179-A183 VanDerWaalsContact O-N 3.09Å
180L94.8Very high94.6Very high24 Ų2449.5 Ų49.513%0.12626%0.262CS..Hα-helixtrans-68.2-39.3177.4-63.3167.1000111.6L175 T176 A183 I184 L210 I214L175-L180 HydrophobicContact CB-CD1 4.26Å; L175-L180 HydrophobicContact CB-CD2 4.4Å; L175-L180 HydrophobicContact CB-CG 4.49Å; T176-L180 WeakPolarHBondContact O-CG 3.44Å; T176-L180 PolarHBondContact O-N 3.06Å; T176-L180 VanDerWaalsContact O-N 3.07Å; L180-A183 PolarHBondContact O-N 2.83Å; L180-I184 WeakPolarHBondContact O-CD1 3.27Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.21Å; L180-L210 HydrophobicContact CD1-CD1 3.46Å; L180-L210 VanDerWaalsContact CD1-CD1 3.46Å; L180-L210 HydrophobicContact CD1-CG 4.23Å; L180-I214 HydrophobicContact CB-CG2 3.6Å; L180-I214 HydrophobicContact CD1-CG2 3.43Å; L180-I214 VanDerWaalsContact CD1-CG2 3.43Å; L180-I214 HydrophobicContact CD2-CG2 4.48Å; L180-I214 HydrophobicContact CG-CG2 4.01Å
181R95.6Very high94.8Very high122 Ų12242.1 Ų42.146%0.4623%0.23SC..Hα-helixtrans-61.8-45.6173.7-179.6177.4173.7177.5-4.1111.2P177 S178 A183 I184 E185 F217P177-R181 WeakPolarHBondContact O-CB 3.47Å; P177-R181 PolarHBondContact O-N 2.92Å; S178-R181 PolarHBondContact O-N 2.94Å; R181-A183 VanDerWaalsContact C-N 3.3Å; R181-A183 PolarHBondContact O-N 3.34Å; R181-I184 PolarHBondContact O-N 3.22Å; R181-I184 VanDerWaalsContact O-N 3.16Å; R181-E185 HydrophobicContact CG-CG 4.31Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 IonicContact NH2-OE1 2.96Å; R181-E185 PolarHBondContact NH2-OE1 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 WeakPolarHBondContact O-CG 3.27Å; R181-E185 PolarHBondContact O-N 3.49Å; R181-F217 HydrophobicContact CB-CD2 4.12Å; R181-F217 HydrophobicContact CB-CE2 4.21Å; R181-F217 HydrophobicContact CB-CG 4.31Å; R181-F217 HydrophobicContact CB-CZ 4.45Å; R181-F217 HydrophobicContact CG-CD1 4.12Å; R181-F217 HydrophobicContact CG-CE1 4.36Å; R181-F217 HydrophobicContact CG-CG 4.22Å
182L96.6Very high94.9Very high30 Ų3041 Ų4116%0.15723%0.225CC..Hα-helixtrans-56-44.6176179.368.3000111.7Y78 N82 M85 V134 L137 S178 M179 G186Y78-L182 HydrophobicContact CE2-CD1 3.8Å; Y78-L182 WeakPolarHBondContact OH-CD1 3.24Å; Y78-L182 PolarHBondContact OH-O 3.49Å; N82-L182 VanDerWaalsContact OD1-CD1 3.26Å; N82-L182 WeakPolarHBondContact OD1-CD1 3.5Å; M85-L182 HydrophobicContact SD-CD2 4.21Å; V134-L182 HydrophobicContact CG2-CD2 4.44Å; L137-L182 HydrophobicContact CD2-CD2 4.26Å; L137-L182 HydrophobicContact CD2-CG 4.01Å; S178-L182 WeakPolarHBondContact O-CB 3.26Å; S178-L182 PolarHBondContact O-N 3.19Å; M179-L182 PolarHBondContact O-N 2.96Å; L182-G186 PolarHBondContact O-N 2.92Å
183A96.8Very high95Very high23 Ų2341 Ų4119%0.1922%0.224CC..Hα-helixtrans-66.4-40.417700000112.8L137 M179 L180 R181 L187L137-A183 HydrophobicContact CD1-CB 3.98Å; L137-A183 HydrophobicContact CD2-CB 4.03Å; M179-A183 PolarHBondContact O-N 3.14Å; M179-A183 VanDerWaalsContact O-N 3.09Å; L180-A183 PolarHBondContact O-N 2.83Å; R181-A183 VanDerWaalsContact C-N 3.3Å; R181-A183 PolarHBondContact O-N 3.34Å; A183-L187 WeakPolarHBondContact O-CB 3.4Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.77Å
184I96.9Very high95.2Very high20 Ų2039 Ų3910%0.10321%0.206CC..Hα-helixtrans-65.7-47.4177.3-70.1164.3000110.5L180 R181 G186 L187 Q188 I214 F217 L218L180-I184 WeakPolarHBondContact O-CD1 3.27Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.33Å; L180-I184 PolarHBondContact O-N 3.21Å; R181-I184 PolarHBondContact O-N 3.22Å; R181-I184 VanDerWaalsContact O-N 3.16Å; I184-G186 VanDerWaalsContact C-N 3.34Å; I184-G186 PolarHBondContact O-N 3.28Å; I184-L187 PolarHBondContact O-N 3.48Å; I184-Q188 HydrophobicContact CG2-CB 4.26Å; I184-Q188 WeakPolarHBondContact O-CA 3.48Å; I184-Q188 WeakPolarHBondContact O-CB 3.45Å; I184-Q188 PolarHBondContact O-N 2.75Å; I184-I214 HydrophobicContact CD1-CB 3.81Å; I184-I214 HydrophobicContact CD1-CD1 4.34Å; I184-I214 HydrophobicContact CD1-CG2 4.27Å; I184-F217 HydrophobicContact CD1-CB 3.98Å; I184-F217 HydrophobicContact CG2-CB 4.25Å; I184-L218 HydrophobicContact CD1-CD2 3.88Å; I184-L218 HydrophobicContact CD1-CG 4.31Å; I184-L218 HydrophobicContact CG1-CD2 4.08Å; I184-L218 HydrophobicContact CG2-CD2 4.14Å
185E96.9Very high95.4Very high55 Ų5535.2 Ų35.226%0.25719%0.189SC..Iπ-helixtrans-58.3-48.1177.4-73.6174.1173.600110.3Y78 R181 L187 D189 S190Y78-E185 HydrophobicContact CD2-CB 4.42Å; Y78-E185 HydrophobicContact CE2-CB 4.07Å; R181-E185 HydrophobicContact CG-CG 4.31Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 IonicContact NH2-OE1 2.96Å; R181-E185 PolarHBondContact NH2-OE1 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.43Å; R181-E185 WeakPolarHBondContact O-CG 3.27Å; R181-E185 PolarHBondContact O-N 3.49Å; E185-L187 PolarHBondContact O-N 2.79Å; E185-D189 CarbonylContact O-C 3.59Å; E185-D189 WeakPolarHBondContact O-CA 3.05Å; E185-D189 WeakPolarHBondContact O-CB 3.46Å; E185-D189 PolarHBondContact O-N 2.86Å; E185-S190 PolarHBondContact O-N 2.61Å
186G97Very high95.6Very high1 Ų135.2 Ų35.21%0.0119%0.194CC..Iπ-helixtrans-56.8-52176.900000113.4Y78 L182 I184 F191Y78-G186 WeakPolarHBondContact OH-CA 3.44Å; L182-G186 PolarHBondContact O-N 2.92Å; I184-G186 VanDerWaalsContact C-N 3.34Å; I184-G186 PolarHBondContact O-N 3.28Å; G186-F191 VanDerWaalsContact O-CB 3.25Å; G186-F191 WeakPolarHBondContact O-CB 3.31Å; G186-F191 PolarHBondContact O-N 3.31Å
187L96.7Very high95.8Very high37 Ų3732.7 Ų32.719%0.19418%0.179CC..Iπ-helixtrans-82.8-35.1-172.4-65.5169.9000114.4L137 I140 L141 L144 A183 I184 E185L137-L187 HydrophobicContact CD1-CD1 4.42Å; L137-L187 HydrophobicContact CD1-CG 4.32Å; I140-L187 HydrophobicContact CG2-CD2 3.87Å; L141-L187 HydrophobicContact CD2-CD2 3.93Å; L144-L187 HydrophobicContact CD1-CD2 3.55Å; A183-L187 WeakPolarHBondContact O-CB 3.4Å; A183-L187 WeakPolarHBondContact O-CG 3.33Å; A183-L187 PolarHBondContact O-N 2.77Å; I184-L187 PolarHBondContact O-N 3.48Å; E185-L187 PolarHBondContact O-N 2.79Å
188Q95.6Very high96.1Very high28 Ų2830.7 Ų30.713%0.13116%0.164CC..Iπ-helixtrans-92.6-40.8-173.9-173.8-170.9-10400112.3I184 F217 K219 T222I184-Q188 HydrophobicContact CG2-CB 4.26Å; I184-Q188 WeakPolarHBondContact O-CA 3.48Å; I184-Q188 WeakPolarHBondContact O-CB 3.45Å; I184-Q188 PolarHBondContact O-N 2.75Å; Q188-F217 PolarHBondContact NE2-O 2.82Å; Q188-K219 HydrophobicContact CG-CD 4.2Å; Q188-T222 WeakPolarHBondContact CG-OG1 3.44Å; Q188-T222 PolarHBondContact OE1-OG1 3.17Å
189D94.1Very high96.4Very high32 Ų3226.9 Ų26.917%0.17114%0.137CC..Iπ-helixtrans-106.5-29.8-165.5-59.2-23.3000111.8L71 Q74 E185 K219L71-D189 WeakPolarHBondContact CD1-O 3.42Å; Q74-D189 PolarHBondContact OE1-O 2.61Å; E185-D189 CarbonylContact O-C 3.59Å; E185-D189 WeakPolarHBondContact O-CA 3.05Å; E185-D189 WeakPolarHBondContact O-CB 3.46Å; E185-D189 PolarHBondContact O-N 2.86Å; D189-K219 WeakPolarHBondContact OD1-CE 3.35Å; D189-K219 IonicContact OD1-NZ 3.48Å; D189-K219 PolarHBondContact OD1-NZ 2.81Å
190S97.2Very high96.6Very high11 Ų1125.3 Ų25.38%0.07713%0.129CC..Iπ-helixtrans-112.1-15.2-172.7-64.10000114.8Q74 Y75 Y78 E185Q74-S190 WeakPolarHBondContact O-CB 3.49Å; Q74-S190 PolarHBondContact O-OG 3.38Å; Y75-S190 VanDerWaalsContact CA-O 3.27Å; Y75-S190 WeakPolarHBondContact CA-O 3.33Å; Y75-S190 WeakPolarHBondContact CB-O 3.44Å; Y75-S190 VanDerWaalsContact CD2-O 3.24Å; Y75-S190 WeakPolarHBondContact CD2-O 3.5Å; Y78-S190 VanDerWaalsContact CB-OG 3.27Å; Y78-S190 WeakPolarHBondContact CB-OG 3.4Å; E185-S190 PolarHBondContact O-N 2.61Å
191F97.8Very high96.8Very high3 Ų324.2 Ų24.21%0.01312%0.123CC..SBendtrans-103.8135.9-177.7-159.7-86.4000112.8L141 L144 E145 I148 G186 A193L141-F191 HydrophobicContact CD2-CD2 3.85Å; L141-F191 HydrophobicContact CD2-CE2 4.49Å; L141-F191 HydrophobicContact CD2-CG 4.44Å; L144-F191 VanDerWaalsContact C-CZ 3.46Å; L144-F191 HydrophobicContact CB-CD1 4.31Å; L144-F191 HydrophobicContact CB-CE1 3.57Å; L144-F191 HydrophobicContact CB-CE2 3.97Å; L144-F191 HydrophobicContact CB-CZ 3.38Å; L144-F191 HydrophobicContact CD1-CD1 4.34Å; L144-F191 HydrophobicContact CD1-CE1 4.38Å; L144-F191 HydrophobicContact CG-CE1 4.46Å; E145-F191 VanDerWaalsContact CD-CE2 3.48Å; E145-F191 HydrophobicContact CG-CE2 3.88Å; E145-F191 HydrophobicContact CG-CZ 4.28Å; E145-F191 WeakPolarHBondContact OE1-CE2 3.31Å; I148-F191 HydrophobicContact CD1-CE1 4.1Å; I148-F191 HydrophobicContact CG2-CE1 4.39Å; I148-F191 HydrophobicContact CG2-CZ 4.18Å; G186-F191 VanDerWaalsContact O-CB 3.25Å; G186-F191 WeakPolarHBondContact O-CB 3.31Å; G186-F191 PolarHBondContact O-N 3.31Å; F191-A193 HydrophobicContact CD1-CB 3.45Å; F191-A193 VanDerWaalsContact CD1-CB 3.45Å; F191-A193 HydrophobicContact CE1-CB 3.82Å; F191-A193 PolarHBondContact O-N 2.89Å
192P97.4Very high96.9Very high3 Ų319.9 Ų19.92%0.01911%0.109CC..  trans-76.229-178.931.1-34.5000114.8R56 F57 A60 L71 I148R56-P192 HydrophobicContact CB-CB 4.15Å; R56-P192 HydrophobicContact CB-CG 4.17Å; F57-P192 HydrophobicContact CD1-CB 4.04Å; F57-P192 HydrophobicContact CD1-CG 4.49Å; F57-P192 HydrophobicContact CE1-CB 4.02Å; F57-P192 HydrophobicContact CE1-CG 4.01Å; F57-P192 HydrophobicContact CE2-CG 4.32Å; F57-P192 HydrophobicContact CG-CB 4.34Å; F57-P192 HydrophobicContact CZ-CB 4.33Å; F57-P192 HydrophobicContact CZ-CG 3.92Å; A60-P192 HydrophobicContact CB-CB 4.02Å; A60-P192 WeakPolarHBondContact CB-O 3.34Å; L71-P192 HydrophobicContact CD2-CB 4.12Å; I148-P192 HydrophobicContact CD1-CB 4.44Å; I148-P192 HydrophobicContact CD1-CG 4.22Å; I148-P192 VanDerWaalsContact CD1-O 3.24Å; I148-P192 WeakPolarHBondContact CD1-O 3.4Å
193A94.8Very high96.8Very high11 Ų1119 Ų199%0.09110%0.104CC..  trans-89.4150.4177.200000112.3F158 F191 F195F158-A193 HydrophobicContact CD2-CB 3.91Å; F158-A193 HydrophobicContact CE2-CB 4.02Å; F191-A193 HydrophobicContact CD1-CB 3.45Å; F191-A193 VanDerWaalsContact CD1-CB 3.45Å; F191-A193 HydrophobicContact CE1-CB 3.82Å; F191-A193 PolarHBondContact O-N 2.89Å; A193-F195 HydrophobicContact CB-CD2 4.37Å; A193-F195 HydrophobicContact CB-CE2 3.83Å; A193-F195 HydrophobicContact CB-CZ 4.35Å
194R95.2Very high96.8Very high36 Ų3619.5 Ų19.514%0.13611%0.105CC..  trans-111.699.7175.2-67.8176.362.4-128.11.3109.9E19 V155 G157 F158 G196E19-R194 IonicContact OE2-NH2 2.61Å; V155-R194 VanDerWaalsContact C-NH1 3.34Å; V155-R194 PolarHBondContact O-NH1 3.28Å; G157-R194 CarbonylContact C-O 3.2Å; G157-R194 WeakPolarHBondContact CA-O 3.28Å; F158-R194 PolarHBondContact N-O 3.35Å; R194-G196 PolarHBondContact O-N 2.9Å
195F96.4Very high96.6Very high28 Ų2827.6 Ų27.612%0.12314%0.135CC..EExtended strand (participates in β ladder)trans-80.7116.7174.8-70.5-83.4000111.4L144 F158 L160 A193 R225L144-F195 HydrophobicContact CD1-CZ 4.11Å; L144-F195 HydrophobicContact CD2-CZ 4.29Å; F158-F195 HydrophobicContact CB-CD1 3.91Å; F158-F195 HydrophobicContact CB-CE1 3.85Å; F158-F195 CarbonylContact O-C 3.52Å; F158-F195 WeakPolarHBondContact O-CA 3.41Å; L160-F195 HydrophobicContact CB-CD1 4.5Å; L160-F195 HydrophobicContact CB-CE1 4.49Å; A193-F195 HydrophobicContact CB-CD2 4.37Å; A193-F195 HydrophobicContact CB-CE2 3.83Å; A193-F195 HydrophobicContact CB-CZ 4.35Å; F195-R225 VanDerWaalsContact O-CD 3.23Å; F195-R225 WeakPolarHBondContact O-CD 3.38Å; F195-R225 VanDerWaalsContact O-CZ 3.23Å; F195-R225 PolarHBondContact O-NE 3.36Å; F195-R225 PolarHBondContact O-NH1 3.14Å
196G96.1Very high96.4Very high22 Ų2226.5 Ų26.523%0.22713%0.129CC..EExtended strand (participates in β ladder)trans-76.9-27.1175.100000113.8R116 F158 R194R116-G196 VanDerWaalsContact NH1-CA 3.31Å; F158-G196 PolarHBondContact O-N 3.36Å; R194-G196 PolarHBondContact O-N 2.9Å
197G97.7Very high96.2Very high0 Ų026.5 Ų26.50%013%0.128CC..EExtended strand (participates in β ladder)trans-169151.117800000111.9V159 L160 R225V159-G197 WeakPolarHBondContact CA-O 3.46Å; L160-G197 PolarHBondContact N-O 2.86Å; G197-R225 CarbonylContact C-O 3.31Å; G197-R225 WeakPolarHBondContact CA-O 3.41Å
198I98.3Very high96Very high27 Ų2728.7 Ų28.714%0.13814%0.137CC..EExtended strand (participates in β ladder)trans-127.3109.5173.1-53.1173.7000107L160 I162 F200 T222 R225 I226 F227L160-I198 HydrophobicContact CB-CG1 4.43Å; L160-I198 HydrophobicContact CB-CG2 4.25Å; L160-I198 HydrophobicContact CD2-CG2 4.08Å; L160-I198 HydrophobicContact CG-CG2 4.35Å; L160-I198 CarbonylContact O-C 3.6Å; L160-I198 WeakPolarHBondContact O-CA 3.38Å; I162-I198 HydrophobicContact CD1-CG2 4.34Å; I198-F200 HydrophobicContact CG2-CD1 4.16Å; I198-F200 HydrophobicContact CG2-CE1 3.62Å; I198-T222 HydrophobicContact CD1-CG2 4.23Å; I198-R225 PolarHBondContact N-O 3.26Å; I198-I226 HydrophobicContact CB-CG1 4.14Å; I198-I226 HydrophobicContact CD1-CG1 4.2Å; I198-I226 CarbonylContact O-C 3.58Å; I198-I226 WeakPolarHBondContact O-CA 3.37Å; I198-F227 PolarHBondContact O-N 3.47Å
199H98.5Very high95.8Very high3 Ų329.8 Ų29.81%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-108.9116.9-168.5-60.1-91.9000109.8V159 L160 I161 I162 F227 H229 L236V159-H199 VanDerWaalsContact CG1-CD2 3.43Å; V159-H199 WeakPolarHBondContact CG1-CD2 3.34Å; L160-H199 PolarHBondContact O-N 2.82Å; I161-H199 CarbonylContact C-O 3.58Å; I161-H199 WeakPolarHBondContact CA-O 3.44Å; I161-H199 HydrophobicContact CG1-CB 4.34Å; I161-H199 HydrophobicContact CG2-CB 4.39Å; I162-H199 PolarHBondContact N-O 3.29Å; H199-F227 AromaticContact CE1-CD2 3.47Å; H199-F227 VanDerWaalsContact CE1-CD2 3.47Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.09Å; H199-F227 AromaticContact CE1-CE2 3.99Å; H199-F227 AromaticContact ND1-CD2 3.73Å; H199-F227 AromaticContact NE2-CD2 3.99Å; H199-H229 AromaticContact CG-NE2 3.63Å; H199-H229 AromaticContact ND1-CE1 3.77Å; H199-H229 AromaticContact ND1-NE2 2.92Å; H199-H229 PolarHBondContact ND1-NE2 3.49Å; H199-L236 HydrophobicContact CB-CD1 3.71Å
200F98.3Very high95.7Very high16 Ų1629.6 Ų29.67%0.0715%0.15CC..EExtended strand (participates in β ladder)trans-96.9122.3174.2-70.454.1000107.2I162 W164 I198 Q203 I207 I226 F227 L228 H229I162-F200 HydrophobicContact CD1-CE1 4.13Å; I162-F200 HydrophobicContact CD1-CZ 4.08Å; W164-F200 AromaticContact CD1-CD2 3.93Å; W164-F200 AromaticContact CE2-CD2 3.62Å; W164-F200 AromaticContact CE2-CE2 3.78Å; W164-F200 AromaticContact CZ2-CD2 3.87Å; W164-F200 HydrophobicContact CZ2-CD2 3.87Å; W164-F200 AromaticContact CZ2-CE2 3.5Å; W164-F200 HydrophobicContact CZ2-CE2 3.5Å; W164-F200 HydrophobicContact CZ2-CZ 4.42Å; W164-F200 AromaticContact NE1-CD2 3.02Å; W164-F200 AromaticContact NE1-CE2 3.6Å; W164-F200 AromaticContact NE1-CG 3.64Å; I198-F200 HydrophobicContact CG2-CD1 4.16Å; I198-F200 HydrophobicContact CG2-CE1 3.62Å; F200-Q203 HydrophobicContact CB-CG 4.48Å; F200-Q203 PolarHBondContact O-OE1 3.41Å; F200-Q203 VanDerWaalsContact O-OE1 3.14Å; F200-I207 HydrophobicContact CD2-CG2 3.83Å; F200-I207 HydrophobicContact CE2-CG2 4.03Å; F200-I226 HydrophobicContact CD1-CG2 4.13Å; F200-I226 HydrophobicContact CE1-CG2 3.95Å; F200-F227 PolarHBondContact N-O 2.72Å; F200-L228 HydrophobicContact CB-CD2 3.59Å; F200-L228 HydrophobicContact CD1-CD2 4.11Å; F200-L228 HydrophobicContact CD2-CD2 3.88Å; F200-L228 HydrophobicContact CG-CD2 3.61Å; F200-H229 WeakPolarHBondContact O-CB 3.43Å; F200-H229 PolarHBondContact O-CD2 3.28Å; F200-H229 PolarHBondContact O-N 2.8Å
201V98.3Very high95.5Very high0 Ų031.1 Ų31.10%015%0.154CC..EExtended strand (participates in β ladder)trans-119.1150.3176.1-58.10000110.2I161 I162 D163 W164 Q203 H229 L233 L236 F249I161-V201 HydrophobicContact CG2-CG1 4.36Å; I161-V201 HydrophobicContact CG2-CG2 4.35Å; I162-V201 PolarHBondContact O-N 2.99Å; D163-V201 HydrophobicContact CB-CG2 4Å; W164-V201 PolarHBondContact N-O 3.47Å; V201-Q203 PolarHBondContact O-N 2.97Å; V201-Q203 VanDerWaalsContact O-N 3.08Å; V201-H229 HydrophobicContact CG1-CB 4.16Å; V201-L233 HydrophobicContact CB-CD2 4.03Å; V201-L233 HydrophobicContact CG1-CD2 3.98Å; V201-L236 HydrophobicContact CG1-CD1 4.49Å; V201-L236 HydrophobicContact CG1-CD2 4.11Å; V201-F249 HydrophobicContact CG2-CD1 4Å; V201-F249 HydrophobicContact CG2-CE1 3.96Å
202N97.4Very high95.3Very high31 Ų3135.4 Ų35.417%0.16618%0.181CC..SBendtrans5527.8178.9-51.6-50.8000113.5D163 S165 P204 G230D163-N202 PolarHBondContact OD1-ND2 2.91Å; S165-N202 WeakPolarHBondContact OG-CB 3.46Å; S165-N202 VanDerWaalsContact OG-CG 3.27Å; S165-N202 PolarHBondContact OG-ND2 3.02Å; N202-P204 WeakPolarHBondContact O-CD 3.42Å; N202-G230 WeakPolarHBondContact CA-O 3.23Å; N202-G230 PolarHBondContact N-O 3.02Å
203Q96.3Very high95Very high13 Ų1338.5 Ų38.56%0.06120%0.2CC..  trans-75.9125.8-174.480.8-71.1-16.100112.4W164 F200 V201 I207 H208 G230W164-Q203 HydrophobicContact CB-CB 3.93Å; W164-Q203 HydrophobicContact CG-CB 3.8Å; F200-Q203 HydrophobicContact CB-CG 4.48Å; F200-Q203 PolarHBondContact O-OE1 3.41Å; F200-Q203 VanDerWaalsContact O-OE1 3.14Å; V201-Q203 PolarHBondContact O-N 2.97Å; V201-Q203 VanDerWaalsContact O-N 3.08Å; Q203-I207 HydrophobicContact CB-CB 3.89Å; Q203-I207 HydrophobicContact CB-CG1 4.13Å; Q203-I207 HydrophobicContact CB-CG2 3.89Å; Q203-I207 HydrophobicContact CG-CB 4.21Å; Q203-I207 HydrophobicContact CG-CG2 4.16Å; Q203-H208 PolarHBondContact NE2-NE2 2.87Å; Q203-G230 VanDerWaalsContact NE2-CA 3.35Å; Q203-G230 VanDerWaalsContact OE1-CA 3.31Å
204P94.8Very high95Very high33 Ų3339 Ų3921%0.21420%0.2CC..  trans-73.1165.3175.728.4-33.6000111.6N202 Y206 I207N202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-Y206 HydrophobicContact CB-CD1 4.07Å; P204-Y206 HydrophobicContact CB-CE1 3.55Å; P204-Y206 HydrophobicContact CB-CE2 4.29Å; P204-Y206 HydrophobicContact CG-CD1 4.23Å; P204-Y206 HydrophobicContact CG-CD2 4.09Å; P204-Y206 HydrophobicContact CG-CE1 3.59Å; P204-Y206 HydrophobicContact CG-CE2 3.43Å; P204-Y206 VanDerWaalsContact CG-CE2 3.43Å; P204-Y206 HydrophobicContact CG-CG 4.46Å; P204-Y206 VanDerWaalsContact CG-OH 3.3Å; P204-Y206 WeakPolarHBondContact CG-OH 3.4Å; P204-Y206 PolarHBondContact O-N 3.35Å; P204-I207 HydrophobicContact CG-CG1 3.93Å; P204-I207 WeakPolarHBondContact O-CB 3.45Å; P204-I207 PolarHBondContact O-N 3.35Å
205W93Very high94.9Very high189 Ų18943.2 Ų43.272%0.71622%0.217SC*.Hα-helixtrans-53.1-34.9-172.869.9-96.1000114I207 H208W205-I207 VanDerWaalsContact C-N 3.25Å; W205-I207 PolarHBondContact O-N 2.86Å; W205-H208 WeakPolarHBondContact O-CB 3.27Å; W205-H208 PolarHBondContact O-N 3.19Å; W205-H208 VanDerWaalsContact O-N 3.12Å
206Y93.2Very high94.9Very high33 Ų3346.4 Ų46.413%0.12924%0.24CC..Hα-helixtrans-73-15-178.651.1-99.9000113.5F167 F169 A172 P204 H208 A209 L210F167-Y206 HydrophobicContact CD1-CE2 4.25Å; F167-Y206 PolarHBondContact O-OH 3.2Å; F169-Y206 HydrophobicContact CB-CE1 4.3Å; F169-Y206 AromaticContact CD2-CD1 3.88Å; F169-Y206 HydrophobicContact CD2-CD1 3.88Å; F169-Y206 HydrophobicContact CD2-CD2 4.33Å; F169-Y206 HydrophobicContact CD2-CE1 4.34Å; F169-Y206 AromaticContact CD2-CG 3.86Å; F169-Y206 HydrophobicContact CD2-CG 3.86Å; F169-Y206 HydrophobicContact CE2-CG 4.45Å; F169-Y206 PolarHBondContact N-OH 3.14Å; A172-Y206 HydrophobicContact CB-CD2 3.8Å; A172-Y206 HydrophobicContact CB-CE2 3.79Å; P204-Y206 HydrophobicContact CB-CD1 4.07Å; P204-Y206 HydrophobicContact CB-CE1 3.55Å; P204-Y206 HydrophobicContact CB-CE2 4.29Å; P204-Y206 HydrophobicContact CG-CD1 4.23Å; P204-Y206 HydrophobicContact CG-CD2 4.09Å; P204-Y206 HydrophobicContact CG-CE1 3.59Å; P204-Y206 HydrophobicContact CG-CE2 3.43Å; P204-Y206 VanDerWaalsContact CG-CE2 3.43Å; P204-Y206 HydrophobicContact CG-CG 4.46Å; P204-Y206 VanDerWaalsContact CG-OH 3.3Å; P204-Y206 WeakPolarHBondContact CG-OH 3.4Å; P204-Y206 PolarHBondContact O-N 3.35Å; Y206-H208 VanDerWaalsContact C-N 3.29Å; Y206-A209 WeakPolarHBondContact O-CB 3.49Å; Y206-A209 PolarHBondContact O-N 3.4Å; Y206-L210 PolarHBondContact O-N 2.81Å
207I93.8Very high94.8Very high0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-71-27.9170-58.8-52.3000111.2W164 F167 F200 Q203 P204 W205 A209 L210 Y211W164-I207 HydrophobicContact CD2-CD1 4Å; W164-I207 HydrophobicContact CD2-CG1 3.9Å; W164-I207 HydrophobicContact CD2-CG2 4.24Å; W164-I207 HydrophobicContact CE3-CD1 3.34Å; W164-I207 HydrophobicContact CE3-CG1 3.71Å; W164-I207 HydrophobicContact CG-CG1 4.38Å; W164-I207 HydrophobicContact CH2-CD1 3.89Å; W164-I207 HydrophobicContact CZ2-CD1 4.49Å; W164-I207 HydrophobicContact CZ2-CG2 4.14Å; W164-I207 HydrophobicContact CZ3-CD1 3.28Å; W164-I207 HydrophobicContact CZ3-CG1 4.13Å; F167-I207 HydrophobicContact CD1-CD1 4.1Å; F167-I207 HydrophobicContact CE1-CD1 4.23Å; F200-I207 HydrophobicContact CD2-CG2 3.83Å; F200-I207 HydrophobicContact CE2-CG2 4.03Å; Q203-I207 HydrophobicContact CB-CB 3.89Å; Q203-I207 HydrophobicContact CB-CG1 4.13Å; Q203-I207 HydrophobicContact CB-CG2 3.89Å; Q203-I207 HydrophobicContact CG-CB 4.21Å; Q203-I207 HydrophobicContact CG-CG2 4.16Å; P204-I207 HydrophobicContact CG-CG1 3.93Å; P204-I207 WeakPolarHBondContact O-CB 3.45Å; P204-I207 PolarHBondContact O-N 3.35Å; W205-I207 VanDerWaalsContact C-N 3.25Å; W205-I207 PolarHBondContact O-N 2.86Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-L210 HydrophobicContact CD1-CD2 4.24Å; I207-L210 WeakPolarHBondContact O-CB 3.36Å; I207-L210 PolarHBondContact O-N 3.36Å; I207-Y211 WeakPolarHBondContact O-CB 3.48Å; I207-Y211 PolarHBondContact O-N 2.97Å
208H91.7Very high94.8Very high84 Ų8448.9 Ų48.939%0.38925%0.245SC..Hα-helixtrans-66.5-36.7169.9-66.7-93.2000111.8Q203 W205 Y206 Y211 T212Q203-H208 PolarHBondContact NE2-NE2 2.87Å; W205-H208 WeakPolarHBondContact O-CB 3.27Å; W205-H208 PolarHBondContact O-N 3.19Å; W205-H208 VanDerWaalsContact O-N 3.12Å; Y206-H208 VanDerWaalsContact C-N 3.29Å; H208-Y211 PolarHBondContact O-N 3.47Å; H208-T212 PolarHBondContact O-N 3.02Å; H208-T212 VanDerWaalsContact O-N 3.08Å; H208-T212 PolarHBondContact O-OG1 3.01Å
209A91.4Very high94.6Very high51 Ų5151.9 Ų51.942%0.42126%0.257SS..Hα-helixtrans-65.5-45173.200000111Y206 I207 Y211 T212 V213Y206-A209 WeakPolarHBondContact O-CB 3.49Å; Y206-A209 PolarHBondContact O-N 3.4Å; I207-A209 VanDerWaalsContact C-N 3.33Å; A209-Y211 VanDerWaalsContact C-N 3.34Å; A209-Y211 PolarHBondContact O-N 3.19Å; A209-T212 WeakPolarHBondContact O-CB 3.26Å; A209-T212 PolarHBondContact O-N 2.82Å; A209-T212 VanDerWaalsContact O-N 3.1Å; A209-V213 PolarHBondContact O-N 3.3Å; A209-V213 VanDerWaalsContact O-N 3.12Å
210L92.4Very high94.5Very high28 Ų2856.6 Ų56.615%0.14728%0.279CS..Hα-helixtrans-57.7-44.7173.8-172.570.1000112.1W164 L175 L180 Y206 I207 T212 V213 I214W164-L210 HydrophobicContact CH2-CD2 4.2Å; L175-L210 HydrophobicContact CB-CD1 4.1Å; L175-L210 HydrophobicContact CD1-CD1 4.25Å; L175-L210 HydrophobicContact CD1-CD2 3.49Å; L175-L210 VanDerWaalsContact CD1-CD2 3.49Å; L180-L210 HydrophobicContact CD1-CD1 3.46Å; L180-L210 VanDerWaalsContact CD1-CD1 3.46Å; L180-L210 HydrophobicContact CD1-CG 4.23Å; Y206-L210 PolarHBondContact O-N 2.81Å; I207-L210 HydrophobicContact CD1-CD2 4.24Å; I207-L210 WeakPolarHBondContact O-CB 3.36Å; I207-L210 PolarHBondContact O-N 3.36Å; L210-T212 VanDerWaalsContact C-N 3.26Å; L210-T212 PolarHBondContact O-N 2.98Å; L210-V213 WeakPolarHBondContact O-CB 3.49Å; L210-V213 PolarHBondContact O-N 3.15Å; L210-V213 VanDerWaalsContact O-N 3.07Å; L210-I214 PolarHBondContact O-N 2.93Å; L210-I214 VanDerWaalsContact O-N 3.1Å
211Y92.9Very high94.3Very high42 Ų4261.2 Ų61.217%0.16530%0.299CS..Hα-helixtrans-57-41.4175.3176.4-106.6000111.6I207 H208 A209 V213 I214 R215 L218 I226I207-Y211 WeakPolarHBondContact O-CB 3.48Å; I207-Y211 PolarHBondContact O-N 2.97Å; H208-Y211 PolarHBondContact O-N 3.47Å; A209-Y211 VanDerWaalsContact C-N 3.34Å; A209-Y211 PolarHBondContact O-N 3.19Å; Y211-V213 VanDerWaalsContact C-N 3.29Å; Y211-V213 PolarHBondContact O-N 3.27Å; Y211-I214 HydrophobicContact CD2-CD1 4.41Å; Y211-I214 HydrophobicContact CD2-CG1 4.4Å; Y211-I214 VanDerWaalsContact O-CG1 3.31Å; Y211-I214 WeakPolarHBondContact O-CG1 3.12Å; Y211-I214 PolarHBondContact O-N 3.47Å; Y211-R215 WeakPolarHBondContact O-CB 3.29Å; Y211-R215 PolarHBondContact O-N 3.24Å; Y211-L218 HydrophobicContact CD2-CD1 4.39Å; Y211-L218 HydrophobicContact CE2-CD1 3.8Å; Y211-I226 HydrophobicContact CD2-CG2 4.42Å; Y211-I226 HydrophobicContact CE2-CB 4.46Å; Y211-I226 HydrophobicContact CE2-CD1 3.85Å; Y211-I226 HydrophobicContact CE2-CG2 4.01Å
212T92.8Very high94.2Very high94 Ų9462.5 Ų62.558%0.57731%0.307SS*.Hα-helixtrans-62.4-37.8177-55.50000111.8H208 A209 L210H208-T212 PolarHBondContact O-N 3.02Å; H208-T212 VanDerWaalsContact O-N 3.08Å; H208-T212 PolarHBondContact O-OG1 3.01Å; A209-T212 WeakPolarHBondContact O-CB 3.26Å; A209-T212 PolarHBondContact O-N 2.82Å; A209-T212 VanDerWaalsContact O-N 3.1Å; L210-T212 VanDerWaalsContact C-N 3.26Å; L210-T212 PolarHBondContact O-N 2.98Å
213V92Very high94.2Very high68 Ų6864 Ų6441%0.41231%0.311SS..Hα-helixtrans-65.5-40176.3173.10000111.8P177 A209 L210 Y211 P216P177-V213 HydrophobicContact CB-CG1 4.2Å; P177-V213 HydrophobicContact CG-CG1 3.93Å; A209-V213 PolarHBondContact O-N 3.3Å; A209-V213 VanDerWaalsContact O-N 3.12Å; L210-V213 WeakPolarHBondContact O-CB 3.49Å; L210-V213 PolarHBondContact O-N 3.15Å; L210-V213 VanDerWaalsContact O-N 3.07Å; Y211-V213 VanDerWaalsContact C-N 3.29Å; Y211-V213 PolarHBondContact O-N 3.27Å; V213-P216 WeakPolarHBondContact O-CD 3.25Å
214I93.9Very high94.2Very high20 Ų2070.5 Ų70.510%0.10334%0.338CS..Hα-helixtrans-86.7-18.9-177.764.5165.1000114L180 I184 L210 Y211 P216 F217 L218L180-I214 HydrophobicContact CB-CG2 3.6Å; L180-I214 HydrophobicContact CD1-CG2 3.43Å; L180-I214 VanDerWaalsContact CD1-CG2 3.43Å; L180-I214 HydrophobicContact CD2-CG2 4.48Å; L180-I214 HydrophobicContact CG-CG2 4.01Å; I184-I214 HydrophobicContact CD1-CB 3.81Å; I184-I214 HydrophobicContact CD1-CD1 4.34Å; I184-I214 HydrophobicContact CD1-CG2 4.27Å; L210-I214 PolarHBondContact O-N 2.93Å; L210-I214 VanDerWaalsContact O-N 3.1Å; Y211-I214 HydrophobicContact CD2-CD1 4.41Å; Y211-I214 HydrophobicContact CD2-CG1 4.4Å; Y211-I214 VanDerWaalsContact O-CG1 3.31Å; Y211-I214 WeakPolarHBondContact O-CG1 3.12Å; Y211-I214 PolarHBondContact O-N 3.47Å; I214-P216 VanDerWaalsContact C-N 3.29Å; I214-P216 VanDerWaalsContact O-N 3.15Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 2.77Å; I214-L218 HydrophobicContact CD1-CD1 4.08Å; I214-L218 HydrophobicContact CG1-CD1 4.14Å; I214-L218 PolarHBondContact O-N 3.13Å
215R94.6Very high94.3Very high126 Ų12672.5 Ų72.548%0.47534%0.342SS..G310 helixtrans-48.7-40.5-178.2-173.6175.7-178.4-1030.2114Y211 F217 L218 R223Y211-R215 WeakPolarHBondContact O-CB 3.29Å; Y211-R215 PolarHBondContact O-N 3.24Å; R215-F217 VanDerWaalsContact C-N 3.25Å; R215-F217 PolarHBondContact O-N 3.4Å; R215-L218 PolarHBondContact O-N 3.23Å; R215-R223 PolarHBondContact O-NE 3.04Å; R215-R223 VanDerWaalsContact O-NE 3.14Å; R215-R223 PolarHBondContact O-NH2 2.9Å
216P95.1Very high94.6Very high94 Ų9464.5 Ų64.561%0.6131%0.313SS*.G310 helixtrans-59.9-30.1175.9-25.336.7000114.5V213 I214V213-P216 WeakPolarHBondContact O-CD 3.25Å; I214-P216 VanDerWaalsContact C-N 3.29Å; I214-P216 VanDerWaalsContact O-N 3.15Å
217F94.9Very high94.8Very high64 Ų6466.2 Ų66.228%0.28132%0.321SS..G310 helixtrans-84.9-15.6179.8-47.6-53.4000113R181 I184 Q188 I214 R215R181-F217 HydrophobicContact CB-CD2 4.12Å; R181-F217 HydrophobicContact CB-CE2 4.21Å; R181-F217 HydrophobicContact CB-CG 4.31Å; R181-F217 HydrophobicContact CB-CZ 4.45Å; R181-F217 HydrophobicContact CG-CD1 4.12Å; R181-F217 HydrophobicContact CG-CE1 4.36Å; R181-F217 HydrophobicContact CG-CG 4.22Å; I184-F217 HydrophobicContact CD1-CB 3.98Å; I184-F217 HydrophobicContact CG2-CB 4.25Å; Q188-F217 PolarHBondContact NE2-O 2.82Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 2.77Å; R215-F217 VanDerWaalsContact C-N 3.25Å; R215-F217 PolarHBondContact O-N 3.4Å
218L96.2Very high94.9Very high11 Ų1169.1 Ų69.16%0.05834%0.336CS..SBendtrans-83.6128.8-178.8-64.1172.3000111.6I184 Y211 I214 R215 T222 R223 I226I184-L218 HydrophobicContact CD1-CD2 3.88Å; I184-L218 HydrophobicContact CD1-CG 4.31Å; I184-L218 HydrophobicContact CG1-CD2 4.08Å; I184-L218 HydrophobicContact CG2-CD2 4.14Å; Y211-L218 HydrophobicContact CD2-CD1 4.39Å; Y211-L218 HydrophobicContact CE2-CD1 3.8Å; I214-L218 HydrophobicContact CD1-CD1 4.08Å; I214-L218 HydrophobicContact CG1-CD1 4.14Å; I214-L218 PolarHBondContact O-N 3.13Å; R215-L218 PolarHBondContact O-N 3.23Å; L218-T222 HydrophobicContact CD2-CG2 3.9Å; L218-R223 HydrophobicContact CB-CG 3.67Å; L218-R223 HydrophobicContact CD1-CG 4.41Å; L218-R223 PolarHBondContact O-NE 2.91Å; L218-R223 PolarHBondContact O-NH2 3.07Å; L218-R223 VanDerWaalsContact O-NH2 3.07Å; L218-I226 HydrophobicContact CD1-CD1 3.48Å; L218-I226 VanDerWaalsContact CD1-CD1 3.48Å; L218-I226 HydrophobicContact CD2-CD1 4.26Å; L218-I226 HydrophobicContact CG-CD1 4.49Å
219K95.8Very high95.2Very high89 Ų8966 Ų6639%0.38732%0.322SS..  trans-66.5152.2168.7-75.5169.8-179.61670110.4Q188 D189 K221 T222 R223Q188-K219 HydrophobicContact CG-CD 4.2Å; D189-K219 WeakPolarHBondContact OD1-CE 3.35Å; D189-K219 IonicContact OD1-NZ 3.48Å; D189-K219 PolarHBondContact OD1-NZ 2.81Å; K219-K221 PolarHBondContact O-N 2.89Å; K219-T222 WeakPolarHBondContact O-CB 3.34Å; K219-T222 PolarHBondContact O-N 2.67Å; K219-R223 PolarHBondContact O-N 2.82Å
220E96.4Very high95.3Very high103 Ų10364.4 Ų64.448%0.48131%0.31SS..Hα-helixtrans-55.3-39.6-178-175.259-162.500112.9T222 R223 K224E220-T222 VanDerWaalsContact C-N 3.33Å; E220-T222 PolarHBondContact O-N 2.89Å; E220-R223 PolarHBondContact O-N 3.24Å; E220-R223 IonicContact OE2-NH1 3.51Å; E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.48Å; E220-K224 VanDerWaalsContact O-N 3.1Å; E220-K224 WeakPolarHBondContact OE1-CE 3.28Å; E220-K224 IonicContact OE1-NZ 2.61Å
221K94.3Very high95.4Very high113 Ų11369.7 Ų69.749%0.49134%0.339SS..Hα-helixtrans-60.5-40.2175.7-175.2177.8176.9-176.10112.5K219 R225K219-K221 PolarHBondContact O-N 2.89Å; K221-R225 VanDerWaalsContact CE-CZ 3.45Å; K221-R225 WeakPolarHBondContact O-CD 3.46Å; K221-R225 WeakPolarHBondContact O-CG 3.44Å
222T95.8Very high95.4Very high27 Ų2771.6 Ų71.617%0.16635%0.351CS..Hα-helixtrans-72.2-42.3178.4-490000110.9Q188 I198 L218 K219 E220 K224 R225 I226Q188-T222 WeakPolarHBondContact CG-OG1 3.44Å; Q188-T222 PolarHBondContact OE1-OG1 3.17Å; I198-T222 HydrophobicContact CD1-CG2 4.23Å; L218-T222 HydrophobicContact CD2-CG2 3.9Å; K219-T222 WeakPolarHBondContact O-CB 3.34Å; K219-T222 PolarHBondContact O-N 2.67Å; E220-T222 VanDerWaalsContact C-N 3.33Å; E220-T222 PolarHBondContact O-N 2.89Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.23Å; T222-R225 CarbonylContact O-C 3.52Å; T222-R225 WeakPolarHBondContact O-CA 3.41Å; T222-R225 PolarHBondContact O-N 2.9Å; T222-I226 HydrophobicContact CG2-CD1 4.36Å; T222-I226 PolarHBondContact O-N 3.42Å
223R96.6Very high95.5Very high63 Ų6368.9 Ų68.924%0.23833%0.333CS..Hα-helixtrans-55.6-43.3175.7-66177.2-172.4160.61.8112R215 L218 K219 E220 R225 I226R215-R223 PolarHBondContact O-NE 3.04Å; R215-R223 VanDerWaalsContact O-NE 3.14Å; R215-R223 PolarHBondContact O-NH2 2.9Å; L218-R223 HydrophobicContact CB-CG 3.67Å; L218-R223 HydrophobicContact CD1-CG 4.41Å; L218-R223 PolarHBondContact O-NE 2.91Å; L218-R223 PolarHBondContact O-NH2 3.07Å; L218-R223 VanDerWaalsContact O-NH2 3.07Å; K219-R223 PolarHBondContact O-N 2.82Å; E220-R223 PolarHBondContact O-N 3.24Å; E220-R223 IonicContact OE2-NH1 3.51Å; R223-R225 PolarHBondContact O-N 3.12Å; R223-I226 PolarHBondContact O-N 3.23Å
224K97.3Very high95.7Very high148 Ų14870.8 Ų70.864%0.64334%0.341SS*.THydrogen-bonded Turntrans-67.1-13.9176.6-70.6-179.1-177.7-178.30114.3E220 T222E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.48Å; E220-K224 VanDerWaalsContact O-N 3.1Å; E220-K224 WeakPolarHBondContact OE1-CE 3.28Å; E220-K224 IonicContact OE1-NZ 2.61Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.23Å
225R97.3Very high95.8Very high75 Ų7571.1 Ų71.128%0.28335%0.345SS..THydrogen-bonded Turntrans-105.40.1-179.7-70.2173.3171-168.7-6.5112.6F195 G197 I198 K221 T222 R223 F227F195-R225 VanDerWaalsContact O-CD 3.23Å; F195-R225 WeakPolarHBondContact O-CD 3.38Å; F195-R225 VanDerWaalsContact O-CZ 3.23Å; F195-R225 PolarHBondContact O-NE 3.36Å; F195-R225 PolarHBondContact O-NH1 3.14Å; G197-R225 CarbonylContact C-O 3.31Å; G197-R225 WeakPolarHBondContact CA-O 3.41Å; I198-R225 PolarHBondContact N-O 3.26Å; K221-R225 VanDerWaalsContact CE-CZ 3.45Å; K221-R225 WeakPolarHBondContact O-CD 3.46Å; K221-R225 WeakPolarHBondContact O-CG 3.44Å; T222-R225 CarbonylContact O-C 3.52Å; T222-R225 WeakPolarHBondContact O-CA 3.41Å; T222-R225 PolarHBondContact O-N 2.9Å; R223-R225 PolarHBondContact O-N 3.12Å; R225-F227 VanDerWaalsContact O-CD2 3.26Å; R225-F227 WeakPolarHBondContact O-CD2 3.36Å; R225-F227 VanDerWaalsContact O-CE2 3.27Å; R225-F227 WeakPolarHBondContact O-CE2 3.12Å
226I97.7Very high96Very high21 Ų2165.1 Ų65.111%0.10832%0.323CS..EExtended strand (participates in β ladder)trans-91.8122.3173.2-68.5166.9000108.3I198 F200 Y211 L218 T222 R223 L228I198-I226 HydrophobicContact CB-CG1 4.14Å; I198-I226 HydrophobicContact CD1-CG1 4.2Å; I198-I226 CarbonylContact O-C 3.58Å; I198-I226 WeakPolarHBondContact O-CA 3.37Å; F200-I226 HydrophobicContact CD1-CG2 4.13Å; F200-I226 HydrophobicContact CE1-CG2 3.95Å; Y211-I226 HydrophobicContact CD2-CG2 4.42Å; Y211-I226 HydrophobicContact CE2-CB 4.46Å; Y211-I226 HydrophobicContact CE2-CD1 3.85Å; Y211-I226 HydrophobicContact CE2-CG2 4.01Å; L218-I226 HydrophobicContact CD1-CD1 3.48Å; L218-I226 VanDerWaalsContact CD1-CD1 3.48Å; L218-I226 HydrophobicContact CD2-CD1 4.26Å; L218-I226 HydrophobicContact CG-CD1 4.49Å; T222-I226 HydrophobicContact CG2-CD1 4.36Å; T222-I226 PolarHBondContact O-N 3.42Å; R223-I226 PolarHBondContact O-N 3.23Å; I226-L228 HydrophobicContact CG2-CD2 4.31Å
227F97.4Very high96.1Very high69 Ų6962.5 Ų62.530%0.30330%0.302SS..EExtended strand (participates in β ladder)trans-116.3124.9179.7-56.5-83000109.2I198 H199 F200 R225 H229 L239I198-F227 PolarHBondContact O-N 3.47Å; H199-F227 AromaticContact CE1-CD2 3.47Å; H199-F227 VanDerWaalsContact CE1-CD2 3.47Å; H199-F227 WeakPolarHBondContact CE1-CD2 3.09Å; H199-F227 AromaticContact CE1-CE2 3.99Å; H199-F227 AromaticContact ND1-CD2 3.73Å; H199-F227 AromaticContact NE2-CD2 3.99Å; F200-F227 PolarHBondContact N-O 2.72Å; R225-F227 VanDerWaalsContact O-CD2 3.26Å; R225-F227 WeakPolarHBondContact O-CD2 3.36Å; R225-F227 VanDerWaalsContact O-CE2 3.27Å; R225-F227 WeakPolarHBondContact O-CE2 3.12Å; F227-H229 WeakPolarHBondContact CB-NE2 3.14Å; F227-L239 HydrophobicContact CD1-CD1 3.88Å; F227-L239 HydrophobicContact CD2-CD1 4.29Å; F227-L239 HydrophobicContact CE1-CD1 4.04Å; F227-L239 HydrophobicContact CE2-CD1 4.43Å; F227-L239 HydrophobicContact CG-CD1 4.01Å; F227-L239 HydrophobicContact CZ-CD1 4.32Å
228L96.6Very high96.2Very high62 Ų6267.3 Ų67.333%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-104.9101.2177.5-60.9-179.5000108.4F200 I226F200-L228 HydrophobicContact CB-CD2 3.59Å; F200-L228 HydrophobicContact CD1-CD2 4.11Å; F200-L228 HydrophobicContact CD2-CD2 3.88Å; F200-L228 HydrophobicContact CG-CD2 3.61Å; I226-L228 HydrophobicContact CG2-CD2 4.31Å
229H97.1Very high96.2Very high19 Ų1969.8 Ų69.89%0.08834%0.339CS..EExtended strand (participates in β ladder)trans-85.7-20.8-173.5-63.4-70.8000113.1H199 F200 V201 F227 N232 S235 L236H199-H229 AromaticContact CG-NE2 3.63Å; H199-H229 AromaticContact ND1-CE1 3.77Å; H199-H229 AromaticContact ND1-NE2 2.92Å; H199-H229 PolarHBondContact ND1-NE2 3.49Å; F200-H229 WeakPolarHBondContact O-CB 3.43Å; F200-H229 PolarHBondContact O-CD2 3.28Å; F200-H229 PolarHBondContact O-N 2.8Å; V201-H229 HydrophobicContact CG1-CB 4.16Å; F227-H229 WeakPolarHBondContact CB-NE2 3.14Å; H229-N232 PolarHBondContact O-N 2.79Å; H229-S235 WeakPolarHBondContact CB-OG 3.27Å; H229-S235 PolarHBondContact CE1-O 3.31Å; H229-S235 VanDerWaalsContact CE1-O 3.28Å; H229-S235 VanDerWaalsContact ND1-C 3.34Å; H229-S235 PolarHBondContact ND1-O 2.91Å; H229-S235 PolarHBondContact ND1-OG 3.1Å; H229-L236 PolarHBondContact ND1-N 3.36Å
230G95.1Very high96.2Very high17 Ų1765.6 Ų65.618%0.17532%0.32CS..EExtended strand (participates in β ladder)trans61.6-140.3-171.600000109.4N202 Q203 N232N202-G230 WeakPolarHBondContact CA-O 3.23Å; N202-G230 PolarHBondContact N-O 3.02Å; Q203-G230 VanDerWaalsContact NE2-CA 3.35Å; Q203-G230 VanDerWaalsContact OE1-CA 3.31Å; G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 3.4Å
231N93.3Very high96.3Very high139 Ų13965.4 Ų65.474%0.74332%0.319SS*.THydrogen-bonded Turntrans-88.25.9178.4-58-19.8000113.1L233N231-L233 PolarHBondContact O-N 2.97Å
232N92.6Very high96.4Very high81 Ų8161.6 Ų61.643%0.43331%0.306SS..  trans-9887.1-176.9-178.616.3000111.5H229 G230 N234 S235H229-N232 PolarHBondContact O-N 2.79Å; G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 3.4Å; N232-N234 PolarHBondContact O-N 2.81Å; N232-N234 VanDerWaalsContact OD1-CB 3.31Å; N232-N234 WeakPolarHBondContact OD1-CB 3.48Å; N232-N234 PolarHBondContact OD1-N 2.88Å; N232-N234 PolarHBondContact OD1-ND2 3.19Å; N232-S235 PolarHBondContact O-N 3.27Å; N232-S235 VanDerWaalsContact O-N 3.14Å; N232-S235 PolarHBondContact O-OG 3.42Å
233L95.1Very high96.5Very high37 Ų3766.6 Ų66.619%0.19433%0.328CS..Hα-helixtrans-63.7-20.3178.2-64.3175.9000113.6V201 N231 S235 L236 H237V201-L233 HydrophobicContact CB-CD2 4.03Å; V201-L233 HydrophobicContact CG1-CD2 3.98Å; N231-L233 PolarHBondContact O-N 2.97Å; L233-S235 PolarHBondContact O-N 3.23Å; L233-L236 HydrophobicContact CD2-CD2 4.4Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 3.38Å; L233-H237 PolarHBondContact O-CD2 3Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 2.68Å
234N96.3Very high96.5Very high109 Ų10965 Ų6558%0.58332%0.323SS*.Hα-helixtrans-60-32.5174.2-61.8-44.2000112N232 L236 H237 Q238N232-N234 PolarHBondContact O-N 2.81Å; N232-N234 VanDerWaalsContact OD1-CB 3.31Å; N232-N234 WeakPolarHBondContact OD1-CB 3.48Å; N232-N234 PolarHBondContact OD1-N 2.88Å; N232-N234 PolarHBondContact OD1-ND2 3.19Å; N234-L236 VanDerWaalsContact C-N 3.3Å; N234-H237 PolarHBondContact O-N 3.14Å; N234-Q238 WeakPolarHBondContact O-CG 3.45Å; N234-Q238 PolarHBondContact O-N 2.84Å
235S97.1Very high96.5Very high27 Ų2757.9 Ų57.919%0.18929%0.293CS..Hα-helixtrans-71.5-25.7176.168.90000113H229 N232 L233H229-S235 WeakPolarHBondContact CB-OG 3.27Å; H229-S235 PolarHBondContact CE1-O 3.31Å; H229-S235 VanDerWaalsContact CE1-O 3.28Å; H229-S235 VanDerWaalsContact ND1-C 3.34Å; H229-S235 PolarHBondContact ND1-O 2.91Å; H229-S235 PolarHBondContact ND1-OG 3.1Å; N232-S235 PolarHBondContact O-N 3.27Å; N232-S235 VanDerWaalsContact O-N 3.14Å; N232-S235 PolarHBondContact O-OG 3.42Å; L233-S235 PolarHBondContact O-N 3.23Å
236L97.8Very high96.6Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-71.1-45.4167.2177.972.8000109.6H199 V201 H229 L233 N234 Q238 L239 I240 L245 F249H199-L236 HydrophobicContact CB-CD1 3.71Å; V201-L236 HydrophobicContact CG1-CD1 4.49Å; V201-L236 HydrophobicContact CG1-CD2 4.11Å; H229-L236 PolarHBondContact ND1-N 3.36Å; L233-L236 HydrophobicContact CD2-CD2 4.4Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 VanDerWaalsContact O-CB 3.27Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 3.38Å; N234-L236 VanDerWaalsContact C-N 3.3Å; L236-Q238 PolarHBondContact O-N 2.99Å; L236-L239 CarbonylContact O-C 3.57Å; L236-L239 WeakPolarHBondContact O-CA 3Å; L236-L239 PolarHBondContact O-N 2.82Å; L236-I240 HydrophobicContact CD1-CD1 3.9Å; L236-I240 HydrophobicContact CD1-CG1 4.43Å; L236-I240 PolarHBondContact O-N 2.98Å; L236-L245 HydrophobicContact CD2-CD1 3.99Å; L236-L245 HydrophobicContact CG-CD1 4.49Å; L236-F249 HydrophobicContact CD2-CB 4.17Å
237H97.8Very high96.6Very high39 Ų3956.2 Ų56.218%0.18129%0.294CS..Hα-helixtrans-64.7-23.2-176.5-59.9161.8000114.3L233 N234 L239 I240 F249 G250L233-H237 PolarHBondContact O-CD2 3Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 2.68Å; N234-H237 PolarHBondContact O-N 3.14Å; H237-L239 PolarHBondContact O-N 2.89Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.37Å; H237-F249 PolarHBondContact NE2-O 3.08Å; H237-G250 PolarHBondContact CE1-O 3.28Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å
238Q96.3Very high96.5Very high164 Ų16455.6 Ų55.677%0.76629%0.292SS*.THydrogen-bonded Turntrans-67.2-21.4169.7-74.6173.26.300113.5N234 L236N234-Q238 WeakPolarHBondContact O-CG 3.45Å; N234-Q238 PolarHBondContact O-N 2.84Å; L236-Q238 PolarHBondContact O-N 2.99Å
239L96.4Very high96.6Very high64 Ų6452.7 Ų52.734%0.33528%0.277SS..THydrogen-bonded Turntrans-111-27.4-177.1-58.9178.1000112.6H113 F227 L236 H237H113-L239 PolarHBondContact CE1-O 3.33Å; F227-L239 HydrophobicContact CD1-CD1 3.88Å; F227-L239 HydrophobicContact CD2-CD1 4.29Å; F227-L239 HydrophobicContact CE1-CD1 4.04Å; F227-L239 HydrophobicContact CE2-CD1 4.43Å; F227-L239 HydrophobicContact CG-CD1 4.01Å; F227-L239 HydrophobicContact CZ-CD1 4.32Å; L236-L239 CarbonylContact O-C 3.57Å; L236-L239 WeakPolarHBondContact O-CA 3Å; L236-L239 PolarHBondContact O-N 2.82Å; H237-L239 PolarHBondContact O-N 2.89Å
240I97.3Very high96.5Very high0 Ų053.6 Ų53.60%029%0.291CS..SBendtrans-137.6119.5179.7-50.4177.4000108.7I118 V159 I161 L236 H237 I244 L245I118-I240 HydrophobicContact CD1-CG2 3.97Å; V159-I240 HydrophobicContact CG1-CD1 3.67Å; I161-I240 HydrophobicContact CD1-CD1 3.73Å; I161-I240 HydrophobicContact CG1-CD1 4.05Å; L236-I240 HydrophobicContact CD1-CD1 3.9Å; L236-I240 HydrophobicContact CD1-CG1 4.43Å; L236-I240 PolarHBondContact O-N 2.98Å; H237-I240 VanDerWaalsContact CA-O 3.24Å; H237-I240 WeakPolarHBondContact CA-O 3.37Å; I240-I244 HydrophobicContact CG2-CD1 4.09Å; I240-I244 HydrophobicContact CG2-CG1 4.44Å; I240-L245 HydrophobicContact CB-CD1 4.34Å; I240-L245 HydrophobicContact CG2-CD1 4.05Å; I240-L245 HydrophobicContact CG2-CD2 3.94Å; I240-L245 HydrophobicContact CG2-CG 4.06Å
241H96.6Very high96.6Very high99 Ų9953.6 Ų53.646%0.45829%0.291SS..  trans-61.9136.4-175.1-68.9-92.4000112.4H113 E243 I244H113-H241 AromaticContact CG-CD2 3.93Å; H113-H241 AromaticContact ND1-CD2 3.56Å; H113-H241 AromaticContact ND1-NE2 3.93Å; H241-E243 VanDerWaalsContact C-N 3.27Å; H241-E243 PolarHBondContact O-N 3.06Å; H241-I244 WeakPolarHBondContact O-CG1 3.48Å; H241-I244 PolarHBondContact O-N 2.68Å
242P97Very high96.8Very high33 Ų3353.6 Ų53.621%0.21429%0.288CS..G310 helixtrans-68.2-21.8-175.925.5-34.1000114.1I244 L245 G251 M252P242-I244 PolarHBondContact O-N 2.95Å; P242-L245 PolarHBondContact O-N 3.18Å; P242-L245 VanDerWaalsContact O-N 3.14Å; P242-G251 CarbonylContact O-C 3.6Å; P242-G251 WeakPolarHBondContact O-CA 3.13Å; P242-M252 PolarHBondContact O-N 2.97Å
243E97.6Very high97Very high133 Ų13352.3 Ų52.362%0.62128%0.281SS*.G310 helixtrans-60.1-27.7-179.4-66.7176.4-176.300113.4H241 M252H241-E243 VanDerWaalsContact C-N 3.27Å; H241-E243 PolarHBondContact O-N 3.06Å; E243-M252 HydrophobicContact CG-CE 4.11Å; E243-M252 HydrophobicContact CG-SD 3.82Å
244I97.2Very high97.1Very high28 Ų2855.3 Ų55.314%0.14430%0.303CS..G310 helixtrans-102.23.7-178.560.4166.5000113.1N110 L111 D112 I118 I240 H241 P242 L253N110-I244 HydrophobicContact CB-CB 3.83Å; N110-I244 HydrophobicContact CB-CG2 3.95Å; L111-I244 VanDerWaalsContact O-CD1 3.27Å; L111-I244 WeakPolarHBondContact O-CD1 3.33Å; D112-I244 HydrophobicContact CB-CD1 4.11Å; I118-I244 HydrophobicContact CD1-CD1 3.69Å; I118-I244 HydrophobicContact CD1-CG1 4.47Å; I240-I244 HydrophobicContact CG2-CD1 4.09Å; I240-I244 HydrophobicContact CG2-CG1 4.44Å; H241-I244 WeakPolarHBondContact O-CG1 3.48Å; H241-I244 PolarHBondContact O-N 2.68Å; P242-I244 PolarHBondContact O-N 2.95Å; I244-L253 VanDerWaalsContact C-CD1 3.45Å; I244-L253 VanDerWaalsContact O-CD1 3.26Å; I244-L253 WeakPolarHBondContact O-CD1 3.42Å
245L98.1Very high97.2Very high0 Ų054.4 Ų54.40%030%0.303CS..SBendtrans-103.1143.4-176.2-71.1178.5000111.6L108 I118 I161 L236 I240 P242 F249 G251 M252 L253L108-L245 HydrophobicContact CD1-CD2 4.04Å; I118-L245 HydrophobicContact CD1-CD2 4.44Å; I161-L245 HydrophobicContact CD1-CD2 3.77Å; L236-L245 HydrophobicContact CD2-CD1 3.99Å; L236-L245 HydrophobicContact CG-CD1 4.49Å; I240-L245 HydrophobicContact CB-CD1 4.34Å; I240-L245 HydrophobicContact CG2-CD1 4.05Å; I240-L245 HydrophobicContact CG2-CD2 3.94Å; I240-L245 HydrophobicContact CG2-CG 4.06Å; P242-L245 PolarHBondContact O-N 3.18Å; P242-L245 VanDerWaalsContact O-N 3.14Å; L245-F249 HydrophobicContact CB-CB 4.29Å; L245-F249 HydrophobicContact CD1-CB 4.25Å; L245-G251 CarbonylContact O-C 3.5Å; L245-G251 VanDerWaalsContact O-CA 3.24Å; L245-G251 WeakPolarHBondContact O-CA 3.25Å; L245-M252 PolarHBondContact O-N 2.84Å; L245-L253 VanDerWaalsContact O-CB 3.31Å; L245-L253 WeakPolarHBondContact O-CB 3.5Å; L245-L253 PolarHBondContact O-N 3.46Å
246P97.8Very high97.2Very high3 Ų354.3 Ų54.32%0.01930%0.299CS..BIsolated β-bridgetrans-59.2158.5166.1-24.232000113.5L108 E248 F249 G251 Y256L108-P246 HydrophobicContact CD1-CG 4.31Å; L108-P246 HydrophobicContact CD2-CG 3.63Å; P246-E248 WeakPolarHBondContact CB-OE2 3.43Å; P246-E248 PolarHBondContact O-N 2.85Å; P246-F249 HydrophobicContact CB-CD2 4.23Å; P246-F249 HydrophobicContact CG-CD2 4.21Å; P246-F249 HydrophobicContact CG-CE2 4.5Å; P246-F249 PolarHBondContact O-N 3.46Å; P246-G251 PolarHBondContact O-N 2.95Å; P246-G251 VanDerWaalsContact O-N 3.14Å; P246-Y256 HydrophobicContact CG-CD2 4.45Å
247S97.3Very high97.1Very high57 Ų5758.1 Ų58.140%0.39932%0.319SS..G310 helixtrans-57.7-30.1-179.964.80000114.5F249 G250 L253 P255S247-F249 PolarHBondContact O-N 3.18Å; S247-G250 PolarHBondContact O-N 3.25Å; S247-L253 PolarHBondContact N-O 3.16Å; S247-L253 VanDerWaalsContact N-O 3.09Å; S247-P255 WeakPolarHBondContact OG-CG 3.26Å
248E96.6Very high96.8Very high57 Ų5758.1 Ų58.127%0.26632%0.319SS..G310 helixtrans-61.8-27.8176.9-62.487.9158.600112.1F122 P246 P255 Y256F122-E248 HydrophobicContact CE1-CB 3.78Å; F122-E248 HydrophobicContact CE1-CG 3.88Å; F122-E248 HydrophobicContact CZ-CB 4.31Å; F122-E248 HydrophobicContact CZ-CG 4.34Å; P246-E248 WeakPolarHBondContact CB-OE2 3.43Å; P246-E248 PolarHBondContact O-N 2.85Å; E248-P255 WeakPolarHBondContact OE1-CA 3.19Å; E248-P255 WeakPolarHBondContact OE1-CB 3.39Å; E248-P255 WeakPolarHBondContact OE2-CA 3.44Å; E248-Y256 PolarHBondContact OE1-N 3.37Å; E248-Y256 PolarHBondContact OE2-N 2.98Å
249F97.5Very high96.5Very high0 Ų050.9 Ų50.90%029%0.289CS..G310 helixtrans-100.317.5176.4-55.1-67000112.3V120 F122 I161 D163 V201 L236 H237 L245 P246 S247 G251V120-F249 HydrophobicContact CB-CE2 4.01Å; V120-F249 HydrophobicContact CB-CZ 4Å; V120-F249 HydrophobicContact CG1-CD2 4.5Å; V120-F249 HydrophobicContact CG1-CE2 3.59Å; V120-F249 HydrophobicContact CG1-CZ 3.91Å; F122-F249 HydrophobicContact CE1-CE2 4.1Å; F122-F249 AromaticContact CE1-CZ 3.78Å; F122-F249 HydrophobicContact CE1-CZ 3.78Å; F122-F249 HydrophobicContact CE2-CE2 4.48Å; F122-F249 HydrophobicContact CE2-CZ 4.39Å; F122-F249 AromaticContact CZ-CE2 3.66Å; F122-F249 HydrophobicContact CZ-CE2 3.66Å; F122-F249 AromaticContact CZ-CZ 3.67Å; F122-F249 HydrophobicContact CZ-CZ 3.67Å; I161-F249 HydrophobicContact CB-CE1 4.32Å; I161-F249 HydrophobicContact CB-CZ 4.49Å; I161-F249 HydrophobicContact CG2-CD1 3.7Å; I161-F249 HydrophobicContact CG2-CE1 3.4Å; I161-F249 HydrophobicContact CG2-CZ 4.02Å; D163-F249 HydrophobicContact CB-CE1 3.9Å; D163-F249 HydrophobicContact CB-CZ 4.38Å; V201-F249 HydrophobicContact CG2-CD1 4Å; V201-F249 HydrophobicContact CG2-CE1 3.96Å; L236-F249 HydrophobicContact CD2-CB 4.17Å; H237-F249 PolarHBondContact NE2-O 3.08Å; L245-F249 HydrophobicContact CB-CB 4.29Å; L245-F249 HydrophobicContact CD1-CB 4.25Å; P246-F249 HydrophobicContact CB-CD2 4.23Å; P246-F249 HydrophobicContact CG-CD2 4.21Å; P246-F249 HydrophobicContact CG-CE2 4.5Å; P246-F249 PolarHBondContact O-N 3.46Å; S247-F249 PolarHBondContact O-N 3.18Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 3.23Å
250G96.1Very high96.4Very high38 Ų3850.7 Ų50.739%0.39229%0.291SS..THydrogen-bonded Turntrans68.124.7-178.800000113.5H237 S247H237-G250 PolarHBondContact CE1-O 3.28Å; H237-G250 VanDerWaalsContact CE1-O 3.25Å; S247-G250 PolarHBondContact O-N 3.25Å
251G97.1Very high96.3Very high17 Ų1751.9 Ų51.918%0.17530%0.295CS..  trans-91.4-175.2178.600000114.2P242 L245 P246 F249P242-G251 CarbonylContact O-C 3.6Å; P242-G251 WeakPolarHBondContact O-CA 3.13Å; L245-G251 CarbonylContact O-C 3.5Å; L245-G251 VanDerWaalsContact O-CA 3.24Å; L245-G251 WeakPolarHBondContact O-CA 3.25Å; P246-G251 PolarHBondContact O-N 2.95Å; P246-G251 VanDerWaalsContact O-N 3.14Å; F249-G251 VanDerWaalsContact C-N 3.26Å; F249-G251 PolarHBondContact O-N 3.23Å
252M97.4Very high96.2Very high139 Ų13947.3 Ų47.369%0.68527%0.274SS*.SBendtrans-98.4-9-176-57.6-172.2-17500113.9P242 E243 L245P242-M252 PolarHBondContact O-N 2.97Å; E243-M252 HydrophobicContact CG-CE 4.11Å; E243-M252 HydrophobicContact CG-SD 3.82Å; L245-M252 PolarHBondContact O-N 2.84Å
253L97.4Very high96Very high55 Ų5551.3 Ų51.329%0.28829%0.285SS..BIsolated β-bridgetrans-79.9157.9175.9-57.1-177.1000110.9I244 L245 S247I244-L253 VanDerWaalsContact C-CD1 3.45Å; I244-L253 VanDerWaalsContact O-CD1 3.26Å; I244-L253 WeakPolarHBondContact O-CD1 3.42Å; L245-L253 VanDerWaalsContact O-CB 3.31Å; L245-L253 WeakPolarHBondContact O-CB 3.5Å; L245-L253 PolarHBondContact O-N 3.46Å; S247-L253 PolarHBondContact N-O 3.16Å; S247-L253 VanDerWaalsContact N-O 3.09Å
254P97.3Very high95.7Very high99 Ų9947.8 Ų47.864%0.64327%0.273SS*.PPolyproline II helixtrans-56.3166171.7-23.734.3000112.9Y256P254-Y256 PolarHBondContact O-N 2.95Å
255P97.1Very high95.4Very high90 Ų9046.6 Ų46.658%0.58427%0.267SS*.PPolyproline II helixtrans-49140169.8-26.434.1000112S247 E248 D257S247-P255 WeakPolarHBondContact OG-CG 3.26Å; E248-P255 WeakPolarHBondContact OE1-CA 3.19Å; E248-P255 WeakPolarHBondContact OE1-CB 3.39Å; E248-P255 WeakPolarHBondContact OE2-CA 3.44Å; P255-D257 PolarHBondContact O-N 3.4Å
256Y96.8Very high94.9Very high25 Ų2548.2 Ų48.210%0.09828%0.275CS..PPolyproline II helixtrans-71.8122.4-177.6-179-104.3000110.6G106 G107 L108 V120 F122 P246 E248 P254 M258G106-Y256 WeakPolarHBondContact CA-OH 3.44Å; G107-Y256 PolarHBondContact N-OH 3.09Å; G107-Y256 PolarHBondContact O-OH 3.26Å; L108-Y256 HydrophobicContact CD2-CD2 3.5Å; L108-Y256 VanDerWaalsContact CD2-CD2 3.5Å; L108-Y256 HydrophobicContact CD2-CE2 3.76Å; L108-Y256 HydrophobicContact CD2-CG 4.3Å; V120-Y256 HydrophobicContact CG2-CD1 4.04Å; V120-Y256 HydrophobicContact CG2-CE1 4.01Å; V120-Y256 HydrophobicContact CG2-CG 4.39Å; F122-Y256 AromaticContact CE2-CD1 3.95Å; F122-Y256 HydrophobicContact CE2-CD1 3.95Å; P246-Y256 HydrophobicContact CG-CD2 4.45Å; E248-Y256 PolarHBondContact OE1-N 3.37Å; E248-Y256 PolarHBondContact OE2-N 2.98Å; P254-Y256 PolarHBondContact O-N 2.95Å; Y256-M258 HydrophobicContact CD1-CE 4.22Å; Y256-M258 HydrophobicContact CD1-SD 3.64Å; Y256-M258 HydrophobicContact CE1-SD 4.06Å; Y256-M258 PolarHBondContact O-N 3.41Å; Y256-M258 VanDerWaalsContact O-N 3.17Å
257D95.6Very high94.2Very high80 Ų8054.4 Ų54.443%0.42831%0.308SS..  trans-76.9103170.2176.9-2.4000109.7P255 G259 T260 R263P255-D257 PolarHBondContact O-N 3.4Å; D257-G259 PolarHBondContact O-N 3Å; D257-G259 VanDerWaalsContact O-N 3.08Å; D257-G259 PolarHBondContact OD1-N 3.11Å; D257-T260 WeakPolarHBondContact CB-OG1 3.42Å; D257-T260 VanDerWaalsContact O-CB 3.27Å; D257-T260 WeakPolarHBondContact O-CB 3.49Å; D257-T260 PolarHBondContact O-N 3.19Å; D257-T260 PolarHBondContact O-OG1 3.07Å; D257-R263 IonicContact OD1-NH1 3.89Å; D257-R263 IonicContact OD1-NH2 2.77Å; D257-R263 IonicContact OD2-CZ 3.53Å; D257-R263 IonicContact OD2-NH1 3.55Å; D257-R263 PolarHBondContact OD2-NH1 3.31Å; D257-R263 IonicContact OD2-NH2 3.54Å; D257-R263 PolarHBondContact OD2-NH2 3.21Å
258M92.9Very high92.8Very high39 Ų3958.9 Ų58.919%0.19232%0.322CS..THydrogen-bonded Turntrans-50.6-32.1179.4-56.7-58.9162.800113.3F122 Y256 T260F122-M258 HydrophobicContact CB-CE 4.41Å; F122-M258 HydrophobicContact CD1-CE 4.05Å; F122-M258 HydrophobicContact CD2-CE 3.17Å; F122-M258 HydrophobicContact CD2-SD 3.38Å; F122-M258 WeakPolarHBondContact CD2-SD 3.45Å; F122-M258 HydrophobicContact CE1-CE 4.06Å; F122-M258 HydrophobicContact CE2-CE 3.19Å; F122-M258 HydrophobicContact CE2-SD 3.57Å; F122-M258 VanDerWaalsContact CE2-SD 3.57Å; F122-M258 HydrophobicContact CG-CE 3.61Å; F122-M258 HydrophobicContact CG-SD 4.25Å; F122-M258 HydrophobicContact CZ-CE 3.64Å; Y256-M258 HydrophobicContact CD1-CE 4.22Å; Y256-M258 HydrophobicContact CD1-SD 3.64Å; Y256-M258 HydrophobicContact CE1-SD 4.06Å; Y256-M258 PolarHBondContact O-N 3.41Å; Y256-M258 VanDerWaalsContact O-N 3.17Å; M258-T260 VanDerWaalsContact C-N 3.3Å; M258-T260 PolarHBondContact O-N 3.37Å
259G90.2Very high91.2Very high13 Ų1363 Ų6313%0.13434%0.342CS..Hα-helixtrans-77.9-11.1-178.900000114.3D257 A262 R263D257-G259 PolarHBondContact O-N 3Å; D257-G259 VanDerWaalsContact O-N 3.08Å; D257-G259 PolarHBondContact OD1-N 3.11Å; G259-A262 PolarHBondContact O-N 2.82Å; G259-R263 WeakPolarHBondContact O-CG 3.27Å; G259-R263 PolarHBondContact O-N 2.68Å; G259-R263 PolarHBondContact O-NE 3.04Å
260T93.3Very high89.8Confident59 Ų5964.1 Ų64.136%0.36235%0.346SS..Hα-helixtrans-58.8-55.3-173.8-58.30000111.9D257 M258 A262 R263 T264D257-T260 WeakPolarHBondContact CB-OG1 3.42Å; D257-T260 VanDerWaalsContact O-CB 3.27Å; D257-T260 WeakPolarHBondContact O-CB 3.49Å; D257-T260 PolarHBondContact O-N 3.19Å; D257-T260 PolarHBondContact O-OG1 3.07Å; M258-T260 VanDerWaalsContact C-N 3.3Å; M258-T260 PolarHBondContact O-N 3.37Å; T260-A262 VanDerWaalsContact C-N 3.35Å; T260-A262 PolarHBondContact O-N 3.08Å; T260-R263 VanDerWaalsContact CA-NH2 3.35Å; T260-R263 PolarHBondContact O-N 3.24Å; T260-R263 PolarHBondContact OG1-NH2 3.31Å; T260-T264 PolarHBondContact O-N 3.47Å; T260-T264 PolarHBondContact O-OG1 2.86Å
261W94.9Very high88.6Confident26 Ų2665.9 Ų65.910%0.09835%0.346CS..Hα-helixtrans-65.8-39.6179.1179.7-114.9000112.2P105 S143 M147 R263 T264 L265P105-W261 VanDerWaalsContact O-CD1 3.22Å; S143-W261 VanDerWaalsContact CB-NE1 3.32Å; S143-W261 PolarHBondContact OG-NE1 2.8Å; M147-W261 HydrophobicContact CE-CD2 3.7Å; M147-W261 VanDerWaalsContact CE-CE2 3.41Å; M147-W261 HydrophobicContact CE-CE3 3.84Å; M147-W261 HydrophobicContact CE-CH2 3.47Å; M147-W261 VanDerWaalsContact CE-CH2 3.47Å; M147-W261 HydrophobicContact CE-CZ2 3.3Å; M147-W261 HydrophobicContact CE-CZ3 3.73Å; M147-W261 HydrophobicContact CG-CH2 3.61Å; M147-W261 HydrophobicContact CG-CZ2 3.87Å; M147-W261 HydrophobicContact CG-CZ3 4.43Å; M147-W261 HydrophobicContact SD-CH2 4.41Å; M147-W261 HydrophobicContact SD-CZ2 4.39Å; W261-R263 VanDerWaalsContact C-N 3.3Å; W261-R263 PolarHBondContact O-N 2.94Å; W261-T264 HydrophobicContact CE3-CG2 4.4Å; W261-T264 HydrophobicContact CZ3-CG2 4.04Å; W261-T264 PolarHBondContact O-N 3.41Å; W261-L265 HydrophobicContact CZ2-CD1 4.14Å; W261-L265 PolarHBondContact O-N 3.37Å
262A94.3Very high87.3Confident2 Ų265.2 Ų65.22%0.01734%0.339CS..Hα-helixtrans-58-42.2177.400000112.2L100 K101 G259 T260 L265 L266L100-A262 HydrophobicContact CB-CB 3.85Å; K101-A262 HydrophobicContact CG-CB 4.27Å; G259-A262 PolarHBondContact O-N 2.82Å; T260-A262 VanDerWaalsContact C-N 3.35Å; T260-A262 PolarHBondContact O-N 3.08Å; A262-L265 PolarHBondContact O-N 3.4Å; A262-L266 VanDerWaalsContact O-CB 3.22Å; A262-L266 WeakPolarHBondContact O-CB 3.37Å; A262-L266 WeakPolarHBondContact O-CD1 3.47Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 2.9Å
263R93.6Very high85.9Confident118 Ų11861.3 Ų61.345%0.44532%0.321SS..Hα-helixtrans-62.2-48.3176.6-73.6179.2-63.9-111.64.9111.2D257 G259 T260 W261 L265 L266 D267D257-R263 IonicContact OD1-NH1 3.89Å; D257-R263 IonicContact OD1-NH2 2.77Å; D257-R263 IonicContact OD2-CZ 3.53Å; D257-R263 IonicContact OD2-NH1 3.55Å; D257-R263 PolarHBondContact OD2-NH1 3.31Å; D257-R263 IonicContact OD2-NH2 3.54Å; D257-R263 PolarHBondContact OD2-NH2 3.21Å; G259-R263 WeakPolarHBondContact O-CG 3.27Å; G259-R263 PolarHBondContact O-N 2.68Å; G259-R263 PolarHBondContact O-NE 3.04Å; T260-R263 VanDerWaalsContact CA-NH2 3.35Å; T260-R263 PolarHBondContact O-N 3.24Å; T260-R263 PolarHBondContact OG1-NH2 3.31Å; W261-R263 VanDerWaalsContact C-N 3.3Å; W261-R263 PolarHBondContact O-N 2.94Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.14Å; R263-L266 PolarHBondContact O-N 3.36Å; R263-D267 VanDerWaalsContact O-CB 3.32Å; R263-D267 WeakPolarHBondContact O-CB 3.12Å; R263-D267 PolarHBondContact O-N 2.66Å
264T91.6Very high84.5Confident58 Ų5863.2 Ų63.236%0.35634%0.339SS..Hα-helixtrans-54.2-49.8176.2-56.10000111.7T260 W261 D267 H268T260-T264 PolarHBondContact O-N 3.47Å; T260-T264 PolarHBondContact O-OG1 2.86Å; W261-T264 HydrophobicContact CE3-CG2 4.4Å; W261-T264 HydrophobicContact CZ3-CG2 4.04Å; W261-T264 PolarHBondContact O-N 3.41Å; T264-D267 PolarHBondContact O-N 2.89Å; T264-H268 WeakPolarHBondContact O-CB 3.47Å; T264-H268 PolarHBondContact O-CD2 3.13Å; T264-H268 VanDerWaalsContact O-CD2 3.22Å; T264-H268 PolarHBondContact O-N 2.92Å; T264-H268 VanDerWaalsContact O-N 3.09Å
265L90.3Very high83.4Confident4 Ų461.5 Ų61.52%0.02132%0.322CS..Hα-helixtrans-73.1-31.6-175.8-159.967.8000113.2A91 L100 L142 A146 W261 A262 R263 E269A91-L265 HydrophobicContact CB-CD2 4.21Å; A91-L265 HydrophobicContact CB-CG 4.06Å; L100-L265 HydrophobicContact CD1-CD2 3.79Å; L100-L265 HydrophobicContact CD2-CD2 4.08Å; L142-L265 HydrophobicContact CD2-CD2 3.84Å; L142-L265 HydrophobicContact CG-CD2 4.09Å; A146-L265 HydrophobicContact CB-CD1 3.48Å; A146-L265 VanDerWaalsContact CB-CD1 3.48Å; W261-L265 HydrophobicContact CZ2-CD1 4.14Å; W261-L265 PolarHBondContact O-N 3.37Å; A262-L265 PolarHBondContact O-N 3.4Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.14Å; L265-E269 PolarHBondContact O-N 3.07Å
266L87.4Confident82.5Confident33 Ų3357.3 Ų57.317%0.17330%0.295CS..Hα-helixtrans-74.2-33.8176.4-73.6167.8000112.4A91 T92 K97 A262 R263A91-L266 HydrophobicContact CB-CD2 3.96Å; A91-L266 VanDerWaalsContact O-CD2 3.32Å; A91-L266 WeakPolarHBondContact O-CD2 3.2Å; T92-L266 HydrophobicContact CG2-CD2 4.29Å; K97-L266 HydrophobicContact CD-CD2 4.29Å; K97-L266 HydrophobicContact CG-CD1 4.34Å; K97-L266 HydrophobicContact CG-CD2 4.18Å; A262-L266 VanDerWaalsContact O-CB 3.22Å; A262-L266 WeakPolarHBondContact O-CB 3.37Å; A262-L266 WeakPolarHBondContact O-CD1 3.47Å; A262-L266 WeakPolarHBondContact O-CG 3.37Å; A262-L266 PolarHBondContact O-N 2.9Å; R263-L266 PolarHBondContact O-N 3.36Å
267D83.4Confident81.6Confident133 Ų13359.6 Ų59.671%0.71131%0.309SS*.Hα-helixtrans-77.9-29178.6-66.4-18.7000111.8R263 T264R263-D267 VanDerWaalsContact O-CB 3.32Å; R263-D267 WeakPolarHBondContact O-CB 3.12Å; R263-D267 PolarHBondContact O-N 2.66Å; T264-D267 PolarHBondContact O-N 2.89Å
268H69.2Low80.7Confident151 Ų15156.8 Ų56.870%0.69929%0.294SS*.THydrogen-bonded Turntrans-86.9-0.7178.1-83-74.6000114.7T264 Y270T264-H268 WeakPolarHBondContact O-CB 3.47Å; T264-H268 PolarHBondContact O-CD2 3.13Å; T264-H268 VanDerWaalsContact O-CD2 3.22Å; T264-H268 PolarHBondContact O-N 2.92Å; T264-H268 VanDerWaalsContact O-N 3.09Å; H268-Y270 PolarHBondContact O-N 3.3Å; H268-Y270 VanDerWaalsContact O-N 3.15Å
269E62.9Low80Confident144 Ų14460.3 Ų60.367%0.67331%0.314SS*.THydrogen-bonded Turntrans26.566.9-176.9-69.5-167.316400113.8L265 D271L265-E269 PolarHBondContact O-N 3.07Å; E269-D271 PolarHBondContact O-N 3.41Å; E269-D271 VanDerWaalsContact O-N 3.17Å
270Y67.9Low79.4Confident23 Ų2360.7 Ų60.79%0.0932%0.315CS..  trans-61.7120.4167.7177.6-82.6000108.5L142 E145 H268 D272L142-Y270 HydrophobicContact CD1-CD1 3.37Å; L142-Y270 HydrophobicContact CD1-CE1 3.65Å; L142-Y270 HydrophobicContact CD1-CG 4.39Å; L142-Y270 HydrophobicContact CG-CD1 4.37Å; E145-Y270 HydrophobicContact CB-CE1 4.41Å; E145-Y270 HydrophobicContact CB-CE2 4.2Å; H268-Y270 PolarHBondContact O-N 3.3Å; H268-Y270 VanDerWaalsContact O-N 3.15Å; Y270-D272 HydrophobicContact CE1-CB 3.79Å; Y270-D272 WeakPolarHBondContact CE1-OD1 3.37Å; Y270-D272 PolarHBondContact OH-OD1 3.19Å
271D69.2Low78.8Confident75 Ų7559.3 Ų59.340%0.40130%0.303SS..BIsolated β-bridgetrans-118.295.3-177.3-173.318.2000111.6E269 D273 S274E269-D271 PolarHBondContact O-N 3.41Å; E269-D271 VanDerWaalsContact O-N 3.17Å; D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.9Å; D271-D273 PolarHBondContact OD1-N 2.96Å; D271-S274 PolarHBondContact O-N 2.71Å; D271-S274 PolarHBondContact O-OG 2.95Å
272D71Confident77.8Confident3 Ų362.1 Ų62.12%0.01633%0.326CS..G310 helixtrans-65.9-27.3178.8-150.456.3000112.5F89 Y270 S274 E275 Y276F89-D272 HydrophobicContact CB-CB 4.14Å; F89-D272 HydrophobicContact CD1-CB 3.83Å; F89-D272 WeakPolarHBondContact CD1-OD2 3.34Å; F89-D272 HydrophobicContact CG-CB 4.48Å; F89-D272 VanDerWaalsContact O-CB 3.28Å; F89-D272 WeakPolarHBondContact O-CB 3.3Å; Y270-D272 HydrophobicContact CE1-CB 3.79Å; Y270-D272 WeakPolarHBondContact CE1-OD1 3.37Å; Y270-D272 PolarHBondContact OH-OD1 3.19Å; D272-S274 PolarHBondContact O-N 2.66Å; D272-S274 VanDerWaalsContact O-N 3.15Å; D272-E275 PolarHBondContact O-N 3.04Å; D272-Y276 PolarHBondContact O-N 2.93Å; D272-Y276 WeakPolarHBondContact OD1-CD2 3.5Å
273D68.4Low76.5Confident57 Ų5764.7 Ų64.731%0.30534%0.339SS..G310 helixtrans-62.6-26.4-177.1-70.7-25.9000111.1D271D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.9Å; D271-D273 PolarHBondContact OD1-N 2.96Å
274S68Low75Confident95 Ų9562.8 Ų62.866%0.66434%0.342SS*.G310 helixtrans-73.7-29.9176.873.80000113.7D271 D272D271-S274 PolarHBondContact O-N 2.71Å; D271-S274 PolarHBondContact O-OG 2.95Å; D272-S274 PolarHBondContact O-N 2.66Å; D272-S274 VanDerWaalsContact O-N 3.15Å
275E73.1Confident73.4Confident64 Ų6463.1 Ų63.130%0.29934%0.344SS..THydrogen-bonded Turntrans-102.6-30.4-177-65.5-165161.500112.9R48 D272R48-E275 IonicContact CZ-OE1 3.53Å; R48-E275 IonicContact CZ-OE2 3.28Å; R48-E275 IonicContact NH1-OE1 3.71Å; R48-E275 PolarHBondContact NH1-OE1 3.21Å; R48-E275 IonicContact NH1-OE2 2.89Å; R48-E275 PolarHBondContact NH1-OE2 3.03Å; R48-E275 IonicContact NH2-OE1 3.48Å; D272-E275 PolarHBondContact O-N 3.04Å
276Y78.5Confident71.8Confident2 Ų271.5 Ų71.51%0.00838%0.38CS..SBendtrans-13952.9-169.7-58.4-80.3000112.4L47 R48 F53 Y75 F76 D272 V278L47-Y276 HydrophobicContact CB-CD1 3.91Å; L47-Y276 HydrophobicContact CB-CE1 4.47Å; L47-Y276 HydrophobicContact CD1-CD1 4.24Å; R48-Y276 HydrophobicContact CB-CE1 3.65Å; R48-Y276 WeakPolarHBondContact CD-OH 3.45Å; F53-Y276 WeakPolarHBondContact CD2-OH 3.36Å; F53-Y276 WeakPolarHBondContact CE2-OH 3.19Å; F53-Y276 HydrophobicContact CZ-CE1 4.46Å; F53-Y276 WeakPolarHBondContact CZ-OH 3.36Å; Y75-Y276 HydrophobicContact CE1-CE1 4.06Å; Y75-Y276 PolarHBondContact OH-OH 3.04Å; F76-Y276 AromaticContact CE1-CD1 3.78Å; F76-Y276 HydrophobicContact CE1-CD1 3.78Å; F76-Y276 AromaticContact CE1-CE1 3.49Å; F76-Y276 HydrophobicContact CE1-CE1 3.49Å; F76-Y276 VanDerWaalsContact CE1-CE1 3.49Å; F76-Y276 HydrophobicContact CZ-CD1 4.48Å; F76-Y276 AromaticContact CZ-CE1 3.77Å; F76-Y276 HydrophobicContact CZ-CE1 3.77Å; D272-Y276 PolarHBondContact O-N 2.93Å; D272-Y276 WeakPolarHBondContact OD1-CD2 3.5Å; Y276-V278 PolarHBondContact O-N 3.25Å
277N77.7Confident70.3Confident73 Ų7374.9 Ų74.939%0.3940%0.395SS..  trans-50.7117.5178.6-176.7-8.1000111.5D279 S280N277-D279 PolarHBondContact O-N 3.12Å; N277-D279 WeakPolarHBondContact OD1-CB 3.33Å; N277-D279 PolarHBondContact OD1-N 2.84Å; N277-S280 WeakPolarHBondContact O-CA 3.36Å; N277-S280 WeakPolarHBondContact O-CB 3.43Å; N277-S280 PolarHBondContact O-N 3.36Å; N277-S280 PolarHBondContact O-OG 3.08Å
278V76.3Confident69Low21 Ų2169.4 Ų69.413%0.12737%0.366CS..Hα-helixtrans-59.8-31.8-176.5179.10000111.9L83 F86 Y276 S280 Y281L83-V278 HydrophobicContact CB-CG1 4.22Å; L83-V278 HydrophobicContact CD2-CG1 3.96Å; F86-V278 WeakPolarHBondContact O-CG2 3.36Å; Y276-V278 PolarHBondContact O-N 3.25Å; V278-S280 PolarHBondContact O-N 2.95Å; V278-Y281 PolarHBondContact O-N 3.33Å; V278-Y281 VanDerWaalsContact O-N 3.13Å
279D78.6Confident68.1Low113 Ų11368.9 Ų68.960%0.60436%0.364SS*.Hα-helixtrans-61.9-30175.8-68.5-26.1000111.3N277 Y281 S282 M283N277-D279 PolarHBondContact O-N 3.12Å; N277-D279 WeakPolarHBondContact OD1-CB 3.33Å; N277-D279 PolarHBondContact OD1-N 2.84Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.1Å; D279-S282 WeakPolarHBondContact O-CA 3.47Å; D279-S282 WeakPolarHBondContact O-CB 3.31Å; D279-S282 PolarHBondContact O-N 3.4Å; D279-M283 PolarHBondContact O-N 3.33Å
280S78.5Confident67.6Low21 Ų2170.1 Ų70.115%0.14737%0.367CS..Hα-helixtrans-65.9-25.8177.6-54.60000113.2N277 V278 S282N277-S280 WeakPolarHBondContact O-CA 3.36Å; N277-S280 WeakPolarHBondContact O-CB 3.43Å; N277-S280 PolarHBondContact O-N 3.36Å; N277-S280 PolarHBondContact O-OG 3.08Å; V278-S280 PolarHBondContact O-N 2.95Å; S280-S282 VanDerWaalsContact C-N 3.29Å
281Y79.6Confident66.7Low29 Ų2975.4 Ų75.411%0.11439%0.392CS..Hα-helixtrans-75.1-20.4171.7-67.3-59.1000113.2G45 L47 F76 R79 Q80 L83 V278 D279G45-Y281 VanDerWaalsContact O-CE1 3.27Å; G45-Y281 WeakPolarHBondContact O-CE1 3.38Å; L47-Y281 HydrophobicContact CD1-CD1 4.15Å; L47-Y281 HydrophobicContact CD1-CD2 4.07Å; L47-Y281 HydrophobicContact CD1-CE1 3.64Å; L47-Y281 HydrophobicContact CD1-CE2 3.51Å; L47-Y281 HydrophobicContact CD1-CG 4.37Å; L47-Y281 WeakPolarHBondContact CD1-OH 3.34Å; L47-Y281 HydrophobicContact CD2-CE1 4.39Å; L47-Y281 HydrophobicContact CG-CD1 4.33Å; L47-Y281 HydrophobicContact CG-CE1 3.73Å; L47-Y281 HydrophobicContact CG-CE2 4.49Å; F76-Y281 HydrophobicContact CD1-CE1 4.16Å; F76-Y281 VanDerWaalsContact CD1-OH 3.28Å; F76-Y281 WeakPolarHBondContact CD1-OH 3.39Å; R79-Y281 HydrophobicContact CB-CE2 3.98Å; R79-Y281 WeakPolarHBondContact CD-OH 3.48Å; Q80-Y281 HydrophobicContact CB-CD1 4.46Å; Q80-Y281 HydrophobicContact CG-CD1 3.1Å; Q80-Y281 HydrophobicContact CG-CE1 3.57Å; Q80-Y281 HydrophobicContact CG-CG 3.68Å; L83-Y281 HydrophobicContact CD2-CD2 3.83Å; L83-Y281 HydrophobicContact CD2-CG 4.07Å; V278-Y281 PolarHBondContact O-N 3.33Å; V278-Y281 VanDerWaalsContact O-N 3.13Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.1Å
282S73.3Confident65.7Low85 Ų8577.4 Ų77.459%0.59440%0.403SS*.Hα-helixtrans-90.8-11.5179.6-57.30000112.6D279 S280D279-S282 WeakPolarHBondContact O-CA 3.47Å; D279-S282 WeakPolarHBondContact O-CB 3.31Å; D279-S282 PolarHBondContact O-N 3.4Å; S280-S282 VanDerWaalsContact C-N 3.29Å
283M68.6Low63.9Low56 Ų5679.6 Ų79.628%0.27642%0.418SS..SBendtrans-78.7145.7178-69.9-179.570.300111.9D279 V285 E287 V288D279-M283 PolarHBondContact O-N 3.33Å; M283-V285 PolarHBondContact O-N 2.88Å; M283-E287 HydrophobicContact CE-CB 3.78Å; M283-V288 HydrophobicContact CB-CG2 3.88Å
284P62Low62.6Low79 Ų7982.9 Ų82.951%0.51344%0.443SS..  trans-58135170.4-15.226.9000110.5K286 E287P284-K286 PolarHBondContact O-N 3.44Å; P284-E287 WeakPolarHBondContact CD-OE2 3.38Å; P284-E287 PolarHBondContact O-N 3.35Å
285V57.3Low61.2Low64 Ų6487.8 Ų87.839%0.38845%0.452SS..Hα-helixtrans-48.1-36-175.3179.10000113.7P42 M283 E287 V288P42-V285 WeakPolarHBondContact O-CG1 3.46Å; P42-V285 VanDerWaalsContact O-CG2 3.24Å; P42-V285 WeakPolarHBondContact O-CG2 3.46Å; M283-V285 PolarHBondContact O-N 2.88Å; V285-E287 VanDerWaalsContact C-N 3.27Å; V285-E287 PolarHBondContact O-N 3.25Å; V285-V288 PolarHBondContact O-N 2.99Å
286K56.5Low59.5Low181 Ų18189.8 Ų89.879%0.78747%0.473SS*.Hα-helixtrans-67.5-21.2178.6-69.4-176.2177.2179.80114.6P284P284-K286 PolarHBondContact O-N 3.44Å
287E56.5Low57.3Low104 Ų10498.4 Ų98.449%0.48652%0.516SS..Hα-helixtrans-88.3-34.1179.7-65.8-172.9159.500111.7M283 P284 V285 E289 K290 E291M283-E287 HydrophobicContact CE-CB 3.78Å; P284-E287 WeakPolarHBondContact CD-OE2 3.38Å; P284-E287 PolarHBondContact O-N 3.35Å; V285-E287 VanDerWaalsContact C-N 3.27Å; V285-E287 PolarHBondContact O-N 3.25Å; E287-E289 PolarHBondContact O-N 3.42Å; E287-K290 VanDerWaalsContact O-CB 3.31Å; E287-K290 WeakPolarHBondContact O-CB 3.29Å; E287-K290 PolarHBondContact O-N 3.1Å; E287-E291 PolarHBondContact O-N 3.09Å
288V55.4Low55Low17 Ų17104.5 Ų104.510%0.10354%0.539CS..Hα-helixtrans-61.5-42.1175.8-179.30000111.6M283 V285 K290 E291 L292M283-V288 HydrophobicContact CB-CG2 3.88Å; V285-V288 PolarHBondContact O-N 2.99Å; V288-K290 PolarHBondContact O-N 3.07Å; V288-E291 PolarHBondContact O-N 3.12Å; V288-L292 HydrophobicContact CG1-CD1 3.78Å; V288-L292 PolarHBondContact O-N 3.04Å
289E51.7Low52.8Low141 Ų141114 Ų11466%0.65957%0.572SS**Hα-helixtrans-61.1-24.9175.3-69.9-177.616300113.3E287E287-E289 PolarHBondContact O-N 3.42Å
290K50.8Low50.6Low170 Ų170114.3 Ų114.374%0.73958%0.583SS**Hα-helixtrans-81.1-34.1-177.4-150.9177.9-176.5-177.40111.9E287 V288 S293E287-K290 VanDerWaalsContact O-CB 3.31Å; E287-K290 WeakPolarHBondContact O-CB 3.29Å; E287-K290 PolarHBondContact O-N 3.1Å; V288-K290 PolarHBondContact O-N 3.07Å; K290-S293 PolarHBondContact O-OG 2.92Å
291E50.4Low48.2Very low133 Ų133120.8 Ų120.862%0.62161%0.611SS**Hα-helixtrans-75.3-33.7176.6-70-166.715700112.8E287 V288 S293E287-E291 PolarHBondContact O-N 3.09Å; V288-E291 PolarHBondContact O-N 3.12Å; E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 3.24Å
292L47.4Very low46Very low117 Ų117124.8 Ų124.861%0.61364%0.643SS**SBendtrans-81.82.5179.6-70.6161000114.2V288V288-L292 HydrophobicContact CG1-CD1 3.78Å; V288-L292 PolarHBondContact O-N 3.04Å
293S33.2Very low43.9Very low49 Ų49126.8 Ų126.834%0.34365%0.652SS.*SBendtrans-74.8146.2177.685.50000111.7K290 E291 K295K290-S293 PolarHBondContact O-OG 2.92Å; E291-S293 VanDerWaalsContact C-N 3.27Å; E291-S293 PolarHBondContact O-N 3.24Å; S293-K295 PolarHBondContact O-N 2.89Å
294P40.8Very low42.3Very low127 Ų127130.2 Ų130.283%0.82568%0.676SS**G310 helixtrans-66.811.8-169.9-16.628.4000116.7S296P294-S296 PolarHBondContact O-N 3.36Å
295K40.2Very low40.8Very low198 Ų198132.7 Ų132.786%0.86168%0.684SS**G310 helixtrans-85.46.1-167-78.5-173.6175.9177.70116.1S293S293-K295 PolarHBondContact O-N 2.89Å
296S35.8Very low39.5Very low105 Ų105135.3 Ų135.373%0.73470%0.703SS**G310 helixtrans-117.76.7-179.872.90000116.4P294 K298P294-S296 PolarHBondContact O-N 3.36Å; S296-K298 PolarHBondContact O-N 3.14Å
297M32.2Very low38.2Very low184 Ų184132.2 Ų132.291%0.90670%0.699SS**  trans-7593.8166.9-83.2-174.4162.400110.2R299M297-R299 PolarHBondContact O-N 3.31Å
298K30.8Very low37Very low200 Ų200134.2 Ų134.287%0.8772%0.718SS**  trans-61.7105.9166.2-77.6-178.5179.2175.40108.6S296 S300S296-K298 PolarHBondContact O-N 3.14Å; K298-S300 PolarHBondContact O-N 3.07Å; K298-S300 VanDerWaalsContact O-N 3.11Å
299R29.6Very low35.8Very low221 Ų221141.3 Ų141.383%0.83476%0.755SS**  trans-56.8108.9168.4-169178-172.9-176.62.3108.8M297 Q301M297-R299 PolarHBondContact O-N 3.31Å; R299-Q301 PolarHBondContact O-N 3.01Å
300S31.4Very low34.8Very low120 Ų120142.4 Ų142.484%0.83976%0.757SS**  trans-58.1104.3166.8-62.50000108.5K298 S302K298-S300 PolarHBondContact O-N 3.07Å; K298-S300 VanDerWaalsContact O-N 3.11Å; S300-S302 PolarHBondContact O-N 3.05Å
301Q29Very low33.7Very low157 Ų157144.6 Ų144.673%0.73476%0.761SS**  trans-83.4104.2170.8-74.6-176.4-12.900107.9R299 V303R299-Q301 PolarHBondContact O-N 3.01Å; Q301-V303 PolarHBondContact O-N 3.28Å
302S32.6Very low32.6Very low112 Ų112145.7 Ų145.778%0.78377%0.768SS**  trans-73.9111.8155.348.80000107.8S300 V304S300-S302 PolarHBondContact O-N 3.05Å; S302-V304 PolarHBondContact O-N 3.11Å
303V30.5Very low31.8Very low128 Ų128146.2 Ų146.278%0.77677%0.771SS**  trans-76.4117.8171.5177.40000107.3Q301Q301-V303 PolarHBondContact O-N 3.28Å
304V34.1Very low31.7Very low128 Ų128152.3 Ų152.378%0.77679%0.792SS**  trans-108.2122.3165.4-171.50000107.1S302S302-V304 PolarHBondContact O-N 3.11Å
305D30.5Very low31.1Very low130 Ų130152.6 Ų152.670%0.69579%0.786SS**  trans-74.2124.7-172-153.5-22.1000111.3T307D305-T307 PolarHBondContact O-N 3.24Å
306P30.9Very low30.7Very low119 Ų119151.4 Ų151.477%0.77378%0.784SS**  trans-9479.5-177.635.2-31.4000111.3
307T28.9Very low30.5Very low116 Ų116155.1 Ų155.171%0.71279%0.789SS**  trans-145108.6157.848.20000111.1D305D305-T307 PolarHBondContact O-N 3.24Å
308V30.6Very low30.4Very low147 Ų147155.2 Ų155.289%0.89179%0.788SS**  170.8107.4129.5168.10000107.1
309L31.1Very low30.4Very low165 Ų165153.3 Ų153.386%0.86479%0.787SS**  trans-107.6116.7170.8-139151.1000106.1
310K30.7Very low30.4Very low164 Ų164150.3 Ų150.371%0.71378%0.784SS**  trans179.1122.9143.4-103.5167.8-176.3176.40113.4
311R28.2Very low30.5Very low217 Ų217153 Ų15382%0.81978%0.784SS**  trans68134.9135.3-73.7178.3-179.7-178.6-2.9116.4
312M26.9Very low30.8Very low155 Ų155151.2 Ų151.276%0.76479%0.785SS**  cis-163134.336-111.21508900108.2
313D29.7Very low30.8Very low128 Ų128154.5 Ų154.568%0.68479%0.794SS**  75.7113.1108.6-88.3-35.5000117.8
314K30.7Very low30.9Very low178 Ų178155.7 Ų155.777%0.77480%0.795SS**  62.2144.7127.7-79.3-178.5173.4-179.40122.9
315N29.6Very low30.9Very low132 Ų132154.3 Ų154.371%0.70679%0.79SS**  trans88.1130.3168.4-64.512.9000113.9
316E31.3Very low31Very low174 Ų174155.7 Ų155.781%0.81380%0.797SS**  cis-159.114821.5-113.6147.6-146.400109.6
317E30.3Very low31.4Very low182 Ų182160.6 Ų160.685%0.8582%0.817SS**  trans-78172.1165.4-77.4176.4143.800111
318E30.8Very low31.5Very low187 Ų187162.9 Ų162.987%0.87482%0.822SS**  trans86.4107.4170.3-55.3-173157.100116.6
319N30.9Very low31.6Very low160 Ų160163.7 Ų163.786%0.85682%0.819SS**  -174143.682.9-151.8-3000112.2
320M30.1Very low31.6Very low157 Ų157163.6 Ų163.677%0.77382%0.816SS**  trans-81.6144.7176.1-65.5-155.7-63.500112.1
321Q32.6Very low31.7Very low177 Ų177163.6 Ų163.683%0.82782%0.822SS**  163153113.5-90.9-168.1-15.800113.3
322P35.8Very low31.9Very low119 Ų119160.3 Ų160.377%0.77382%0.822SS**PPolyproline II helixtrans-92.8149.2-175.436.7-31.6000112.7
323L33.5Very low32.2Very low182 Ų182160.6 Ų160.695%0.95383%0.826SS**PPolyproline II helixtrans-103.2124.4173.5-106.5149.4000111.4
324L32.4Very low32.4Very low153 Ų153162.9 Ų162.980%0.80184%0.836SS**PPolyproline II helixtrans-68.7156.1175.4-86.9141.2000113.4
325S32.5Very low32.5Very low98 Ų98161.8 Ų161.869%0.68584%0.841SS**  trans-28.4146.5153.952.60000117.9
326L33.1Very low32.8Very low159 Ų159164.3 Ų164.383%0.83285%0.853SS**  trans-172.1135.4149-83.6165.7000103.6
327D39.8Very low32.9Very low223 Ų223163.4 Ų163.4100%1.19386%0.856SS**  cis-152.80-1-93.2-40000106.4

Retrieved 327 of 327 residues in 74.5 ms (Link to these results)

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