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Mediator of RNA polymerase II transcription subunit 4

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077Z632, Species TRITR (Trichuris trichiura, Whipworm), Gene MED4, Length 235 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
1M91.9Very high96.5Very high191 Ų191105.5 Ų105.594%0.94155%0.546SS*.  0-550-166.8178.1-163.300110.8D3 S4 I5M1-D3 PolarHBondContact O-N 2.95Å; M1-S4 PolarHBondContact O-N 3.44Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.05Å
2I96.4Very high96.6Very high122 Ų122110.5 Ų110.563%0.62655%0.552SS**Hα-helixtrans-56.3-49.2178.4-62.9170.1000111.6S4 I5 Q6I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 2.95Å; I2-I5 WeakPolarHBondContact O-CB 3.46Å; I2-I5 PolarHBondContact O-N 3.22Å; I2-Q6 HydrophobicContact CG2-CG 4.47Å; I2-Q6 PolarHBondContact O-N 3.45Å
3D96Very high96.7Very high121 Ų121108.2 Ų108.265%0.64754%0.543SS*.Hα-helixtrans-61-37.5-178.4-48-20.4000113.2M1 I5 Q6 H7M1-D3 PolarHBondContact O-N 2.95Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 3.49Å; D3-Q6 PolarHBondContact O-N 2.95Å; D3-H7 PolarHBondContact O-N 3.31Å
4S96.1Very high96.8Very high74 Ų74107.6 Ų107.652%0.51754%0.538SS..Hα-helixtrans-65.3-38.1175.7-179.70000111.8M1 I2 D8M1-S4 PolarHBondContact O-N 3.44Å; I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.35Å
5I97.3Very high96.9Very high87 Ų87110.3 Ų110.345%0.44654%0.541SS..Hα-helixtrans-69.5-39.1176.5-65.7168.5000110.1M1 I2 D3 D8 I9M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.05Å; I2-I5 WeakPolarHBondContact O-CB 3.46Å; I2-I5 PolarHBondContact O-N 3.22Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 3.49Å; I5-D8 PolarHBondContact O-N 3.3Å; I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 WeakPolarHBondContact O-CB 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å
6Q96.7Very high96.9Very high105 Ų105107.7 Ų107.749%0.49153%0.529SS..Hα-helixtrans-62.1-46.8175.6-72.9178.6-3000111.5I2 D3 D8 I9 E10I2-Q6 HydrophobicContact CG2-CG 4.47Å; I2-Q6 PolarHBondContact O-N 3.45Å; D3-Q6 PolarHBondContact O-N 2.95Å; Q6-D8 PolarHBondContact O-N 2.84Å; Q6-I9 WeakPolarHBondContact O-CB 3.34Å; Q6-I9 PolarHBondContact O-N 3.18Å; Q6-E10 WeakPolarHBondContact O-CG 3.45Å; Q6-E10 PolarHBondContact O-N 3.17Å
7H96.7Very high97Very high109 Ų109106.6 Ų106.651%0.50553%0.526SS..Hα-helixtrans-60.6-44.8176.2-174.861.7000112.4D3 I9 E10 V11D3-H7 PolarHBondContact O-N 3.31Å; H7-I9 VanDerWaalsContact C-N 3.29Å; H7-I9 PolarHBondContact O-N 3.03Å; H7-E10 WeakPolarHBondContact O-CB 3.37Å; H7-E10 PolarHBondContact O-N 2.9Å; H7-E10 VanDerWaalsContact O-N 3.17Å; H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.21Å
8D97.6Very high97.1Very high73 Ų73109.7 Ų109.739%0.3953%0.531SS..Hα-helixtrans-61.6-37.6175.5-81.22.2000112.3S4 I5 Q6 R12S4-D8 PolarHBondContact O-N 3.35Å; I5-D8 PolarHBondContact O-N 3.3Å; Q6-D8 PolarHBondContact O-N 2.84Å; D8-R12 WeakPolarHBondContact O-CB 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.41Å; D8-R12 PolarHBondContact O-N 3.38Å
9I97.7Very high97.1Very high85 Ų85108 Ų10844%0.43652%0.524SS..Hα-helixtrans-64.6-44.5174.5-72.4165.5000110.2I5 Q6 H7 R12 N13I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 WeakPolarHBondContact O-CB 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; Q6-I9 WeakPolarHBondContact O-CB 3.34Å; Q6-I9 PolarHBondContact O-N 3.18Å; H7-I9 VanDerWaalsContact C-N 3.29Å; H7-I9 PolarHBondContact O-N 3.03Å; I9-R12 PolarHBondContact O-N 3.04Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.49Å; I9-N13 WeakPolarHBondContact O-CB 3.45Å; I9-N13 PolarHBondContact O-N 3.48Å; I9-N13 PolarHBondContact O-ND2 3.03Å
10E97.3Very high97.2Very high122 Ų122110.1 Ų110.157%0.5753%0.526SS*.Hα-helixtrans-59.8-49177.6-72.8168.4-177.600111.7Q6 H7 R12 N13 E14Q6-E10 WeakPolarHBondContact O-CG 3.45Å; Q6-E10 PolarHBondContact O-N 3.17Å; H7-E10 WeakPolarHBondContact O-CB 3.37Å; H7-E10 PolarHBondContact O-N 2.9Å; H7-E10 VanDerWaalsContact O-N 3.17Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.89Å; E10-N13 PolarHBondContact O-N 3.21Å; E10-E14 PolarHBondContact O-N 3.41Å
11V97.4Very high97.2Very high72 Ų72106.6 Ų106.644%0.43652%0.519SS..Hα-helixtrans-60.9-42.8177.8172.90000111.3H7 E14 Y15H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.21Å; V11-E14 PolarHBondContact O-N 2.95Å; V11-Y15 PolarHBondContact O-N 2.98Å
12R97.8Very high97.5Very high165 Ų165101.3 Ų101.362%0.62350%0.5SS*.Hα-helixtrans-66.2-40.1176.7-72.6174-164.4-169.27.1112D8 I9 E10 E14 Y15 I16D8-R12 WeakPolarHBondContact O-CB 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.41Å; D8-R12 PolarHBondContact O-N 3.38Å; I9-R12 PolarHBondContact O-N 3.04Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.89Å; R12-E14 VanDerWaalsContact C-N 3.34Å; R12-Y15 PolarHBondContact O-N 3.22Å; R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.24Å; R12-I16 WeakPolarHBondContact O-CG1 3.44Å; R12-I16 PolarHBondContact O-N 3.44Å
13N97.9Very high97.6Very high80 Ų80101.4 Ų101.443%0.42850%0.501SS..Hα-helixtrans-62.8-43176.4-73.5-24.9000110.9I9 E10 Y15 I16 D17I9-N13 WeakPolarHBondContact CG2-ND2 3.49Å; I9-N13 WeakPolarHBondContact O-CB 3.45Å; I9-N13 PolarHBondContact O-N 3.48Å; I9-N13 PolarHBondContact O-ND2 3.03Å; E10-N13 PolarHBondContact O-N 3.21Å; N13-Y15 VanDerWaalsContact C-N 3.34Å; N13-Y15 PolarHBondContact O-N 2.87Å; N13-I16 WeakPolarHBondContact O-CB 3.48Å; N13-I16 PolarHBondContact O-N 3.31Å; N13-D17 PolarHBondContact O-N 3.42Å
14E97.8Very high97.7Very high101 Ų101101.1 Ų101.147%0.47250%0.499SS..Hα-helixtrans-59.9-44.7174.9-166.8-165.5153.300111.6E10 V11 R12 I16 D17 R18E10-E14 PolarHBondContact O-N 3.41Å; V11-E14 PolarHBondContact O-N 2.95Å; R12-E14 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.91Å; E14-D17 PolarHBondContact O-N 2.95Å; E14-R18 WeakPolarHBondContact O-CG 3.21Å; E14-R18 PolarHBondContact O-N 2.96Å; E14-R18 IonicContact OE1-CZ 2.66Å; E14-R18 VanDerWaalsContact OE1-CZ 3.28Å; E14-R18 IonicContact OE1-NE 3.33Å; E14-R18 PolarHBondContact OE1-NE 2.92Å; E14-R18 VanDerWaalsContact OE1-NE 3.07Å; E14-R18 IonicContact OE1-NH2 3.07Å; E14-R18 PolarHBondContact OE1-NH2 2.94Å
15Y98.3Very high97.8Very high148 Ų148103.6 Ų103.658%0.5850%0.502SS*.Hα-helixtrans-63.1-41.3176.2-177.3-110.7000112.4V11 R12 N13 D17 R18 L19V11-Y15 PolarHBondContact O-N 2.98Å; R12-Y15 PolarHBondContact O-N 3.22Å; N13-Y15 VanDerWaalsContact C-N 3.34Å; N13-Y15 PolarHBondContact O-N 2.87Å; Y15-D17 VanDerWaalsContact C-N 3.31Å; Y15-D17 PolarHBondContact O-N 3.46Å; Y15-R18 PolarHBondContact O-N 2.66Å; Y15-L19 HydrophobicContact CD1-CD1 3.86Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD1 4.46Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.39Å
16I98.1Very high97.8Very high68 Ų68101.7 Ų101.735%0.34950%0.499SS..Hα-helixtrans-59.9-43.1174.5-72.9164.4000110.5R12 N13 E14 L19 R20R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.24Å; R12-I16 WeakPolarHBondContact O-CG1 3.44Å; R12-I16 PolarHBondContact O-N 3.44Å; N13-I16 WeakPolarHBondContact O-CB 3.48Å; N13-I16 PolarHBondContact O-N 3.31Å; E14-I16 PolarHBondContact O-N 2.91Å; I16-L19 PolarHBondContact O-N 3.37Å; I16-R20 HydrophobicContact CG2-CG 4.44Å; I16-R20 VanDerWaalsContact CG2-CZ 3.41Å; I16-R20 WeakPolarHBondContact O-CB 3.38Å; I16-R20 VanDerWaalsContact O-CG 3.24Å; I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.39Å
17D98.1Very high97.9Very high90 Ų90103 Ų10348%0.48151%0.505SS..Hα-helixtrans-70.3-36.9-179.2-70.6-22.5000112.3N13 E14 Y15 R20 G21N13-D17 PolarHBondContact O-N 3.42Å; E14-D17 PolarHBondContact O-N 2.95Å; Y15-D17 VanDerWaalsContact C-N 3.31Å; Y15-D17 PolarHBondContact O-N 3.46Å; D17-R20 PolarHBondContact O-N 3.25Å; D17-R20 IonicContact OD1-NH1 2.98Å; D17-R20 PolarHBondContact OD1-NH1 2.98Å; D17-G21 PolarHBondContact O-N 3.49Å
18R98.1Very high97.9Very high162 Ų162101.6 Ų101.661%0.61151%0.508SS*.Hα-helixtrans-60.1-48.6170.2-71.1173.7-177.5-128.97.2111.5E14 Y15 R20 G21 C22E14-R18 WeakPolarHBondContact O-CG 3.21Å; E14-R18 PolarHBondContact O-N 2.96Å; E14-R18 IonicContact OE1-CZ 2.66Å; E14-R18 VanDerWaalsContact OE1-CZ 3.28Å; E14-R18 IonicContact OE1-NE 3.33Å; E14-R18 PolarHBondContact OE1-NE 2.92Å; E14-R18 VanDerWaalsContact OE1-NE 3.07Å; E14-R18 IonicContact OE1-NH2 3.07Å; E14-R18 PolarHBondContact OE1-NH2 2.94Å; Y15-R18 PolarHBondContact O-N 2.66Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.31Å; R18-G21 PolarHBondContact O-N 3.39Å; R18-G21 VanDerWaalsContact O-N 3.17Å; R18-C22 PolarHBondContact O-N 3.35Å; R18-C22 PolarHBondContact O-SG 3.07Å; R18-C22 VanDerWaalsContact O-SG 3.4Å
19L98.2Very high97.9Very high77 Ų77102.3 Ų102.340%0.40351%0.511SS..Hα-helixtrans-61.2-41.5177.9-76.1179000112.1Y15 I16 G21 C22 L23Y15-L19 HydrophobicContact CD1-CD1 3.86Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD1 4.46Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 3.37Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.33Å; L19-C22 PolarHBondContact O-N 2.98Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.98Å
20R98.3Very high98Very high150 Ų150104.1 Ų104.157%0.56652%0.521SS*.Hα-helixtrans-60.4-43.2174.1-74.7166.9172.9169-3.3111.6I16 D17 R18 L23 L24I16-R20 HydrophobicContact CG2-CG 4.44Å; I16-R20 VanDerWaalsContact CG2-CZ 3.41Å; I16-R20 WeakPolarHBondContact O-CB 3.38Å; I16-R20 VanDerWaalsContact O-CG 3.24Å; I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.39Å; D17-R20 PolarHBondContact O-N 3.25Å; D17-R20 IonicContact OD1-NH1 2.98Å; D17-R20 PolarHBondContact OD1-NH1 2.98Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.31Å; R20-L23 PolarHBondContact O-N 3.49Å; R20-L24 WeakPolarHBondContact O-CG 3.5Å; R20-L24 PolarHBondContact O-N 3.4Å
21G98.1Very high98Very high37 Ų37101.2 Ų101.238%0.38152%0.518SS..Hα-helixtrans-57.7-50.3174.700000112.2D17 R18 L19 L23 L24 E25D17-G21 PolarHBondContact O-N 3.49Å; R18-G21 PolarHBondContact O-N 3.39Å; R18-G21 VanDerWaalsContact O-N 3.17Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.33Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.17Å; G21-L24 PolarHBondContact O-N 2.96Å; G21-E25 WeakPolarHBondContact O-CB 3.44Å; G21-E25 PolarHBondContact O-N 2.96Å
22C97.7Very high98Very high79 Ų79100.7 Ų100.753%0.53452%0.517SS..Hα-helixtrans-60.9-39.4177.6-64.80000112.8R18 L19 A26R18-C22 PolarHBondContact O-N 3.35Å; R18-C22 PolarHBondContact O-SG 3.07Å; R18-C22 VanDerWaalsContact O-SG 3.4Å; L19-C22 PolarHBondContact O-N 2.98Å; C22-A26 WeakPolarHBondContact O-CB 3.48Å; C22-A26 PolarHBondContact O-N 3.47Å
23L98.2Very high98Very high125 Ų12597.2 Ų97.265%0.65451%0.511SS*.Hα-helixtrans-67.8-41.3178-72.8173.2000112.3L19 R20 G21 A26 E27L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 3.49Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.17Å; L23-A26 PolarHBondContact O-N 3.44Å; L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 PolarHBondContact O-N 3.43Å
24L97.9Very high98Very high115 Ų115100.5 Ų100.560%0.60252%0.522SS*.Hα-helixtrans-65-40.3175.9-73.5171.7000111.9R20 G21 E27 S28R20-L24 WeakPolarHBondContact O-CG 3.5Å; R20-L24 PolarHBondContact O-N 3.4Å; G21-L24 PolarHBondContact O-N 2.96Å; L24-E27 PolarHBondContact O-N 3.43Å; L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 2.97Å
25E98.1Very high97.9Very high126 Ų12699.7 Ų99.759%0.58953%0.526SS*.Hα-helixtrans-62.9-46.7175.2-176.4175.7-171.700111.1G21 E27 S28 I29G21-E25 WeakPolarHBondContact O-CB 3.44Å; G21-E25 PolarHBondContact O-N 2.96Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.41Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 3.32Å; E25-I29 HydrophobicContact CG-CD1 4.13Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.37Å
26A98.2Very high97.9Very high46 Ų4696.7 Ų96.738%0.3852%0.52SS..Hα-helixtrans-60.3-42.1176.400000112.3C22 L23 I29 L30C22-A26 WeakPolarHBondContact O-CB 3.48Å; C22-A26 PolarHBondContact O-N 3.47Å; L23-A26 PolarHBondContact O-N 3.44Å; A26-I29 PolarHBondContact O-N 2.95Å; A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3Å
27E98Very high97.9Very high132 Ų13299.4 Ų99.462%0.61753%0.53SS*.Hα-helixtrans-62-43.2175.1-173.4-179.317800111.7L23 L24 E25 I29 L30 A31L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 PolarHBondContact O-N 3.43Å; L24-E27 PolarHBondContact O-N 3.43Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.41Å; E27-I29 PolarHBondContact O-N 3.2Å; E27-L30 PolarHBondContact O-N 2.97Å; E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 2.99Å
28S97.6Very high97.9Very high81 Ų8199.2 Ų99.257%0.56653%0.526SS*.Hα-helixtrans-62-41.4177-177.30000112.4L24 E25 A31 S32L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 2.97Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-S32 PolarHBondContact O-N 3.05Å
29I98Very high97.9Very high87 Ų8796.9 Ų96.945%0.44653%0.525SS..Hα-helixtrans-63.9-48.9177.3-68.1166.9000109.9E25 A26 E27 A31 S32 D33E25-I29 HydrophobicContact CG-CD1 4.13Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.37Å; A26-I29 PolarHBondContact O-N 2.95Å; E27-I29 PolarHBondContact O-N 3.2Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.17Å; I29-S32 PolarHBondContact O-N 2.9Å; I29-S32 VanDerWaalsContact O-N 3.17Å; I29-D33 PolarHBondContact O-N 3.46Å
30L98.1Very high97.9Very high123 Ų12397.4 Ų97.464%0.64453%0.527SS*.Hα-helixtrans-59.2-39.8178-72.2174.9000112.5A26 E27 F34A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3Å; E27-L30 PolarHBondContact O-N 2.97Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.05Å
31A97.6Very high97.9Very high61 Ų6194.2 Ų94.250%0.50452%0.52SS..Hα-helixtrans-65.2-42.2176.800000112.4E27 S28 I29 C35E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 2.99Å; S28-A31 PolarHBondContact O-N 3.38Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.17Å; A31-C35 PolarHBondContact O-N 3.29Å; A31-C35 VanDerWaalsContact O-N 3.12Å
32S97.4Very high97.9Very high61 Ų6196.7 Ų96.743%0.42752%0.524SS..Hα-helixtrans-63.7-45.5175.6173.90000111.9S28 I29 F34 C35 N36S28-S32 PolarHBondContact O-N 3.05Å; I29-S32 PolarHBondContact O-N 2.9Å; I29-S32 VanDerWaalsContact O-N 3.17Å; S32-F34 PolarHBondContact O-N 3.34Å; S32-C35 PolarHBondContact O-N 3.13Å; S32-N36 PolarHBondContact O-N 3.07Å; S32-N36 PolarHBondContact O-ND2 3.12Å
33D98.1Very high98Very high93 Ų9395.6 Ų95.650%0.49752%0.521SS..Hα-helixtrans-63.6-42.8179.7-75-6.7000111.6I29 C35 N36 F37I29-D33 PolarHBondContact O-N 3.46Å; D33-C35 VanDerWaalsContact C-N 3.34Å; D33-C35 PolarHBondContact O-N 2.98Å; D33-N36 PolarHBondContact O-N 3.07Å; D33-F37 WeakPolarHBondContact O-CB 3.4Å; D33-F37 PolarHBondContact O-N 3.3Å
34F97.8Very high98Very high148 Ų14893.6 Ų93.665%0.64951%0.51SS*.Hα-helixtrans-60-43.1174.9-174.9-96.5000112.1L30 S32 F37 Q38L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.05Å; S32-F34 PolarHBondContact O-N 3.34Å; F34-F37 PolarHBondContact O-N 3.28Å; F34-Q38 WeakPolarHBondContact O-CB 3.39Å; F34-Q38 PolarHBondContact O-N 3.32Å
35C96.3Very high98.1Very high84 Ų8493.5 Ų93.557%0.56851%0.505SS*.Hα-helixtrans-63.4-44.8176.7-173.60000112.2A31 S32 D33 Q38 L39A31-C35 PolarHBondContact O-N 3.29Å; A31-C35 VanDerWaalsContact O-N 3.12Å; S32-C35 PolarHBondContact O-N 3.13Å; D33-C35 VanDerWaalsContact C-N 3.34Å; D33-C35 PolarHBondContact O-N 2.98Å; C35-Q38 PolarHBondContact O-N 3.25Å; C35-L39 PolarHBondContact O-N 3.45Å
36N97.8Very high98.1Very high86 Ų8692.6 Ų92.646%0.4650%0.501SS..Hα-helixtrans-60.7-46.4176.3-86.5-60.6000111.8S32 D33 Q38 L39 I40S32-N36 PolarHBondContact O-N 3.07Å; S32-N36 PolarHBondContact O-ND2 3.12Å; D33-N36 PolarHBondContact O-N 3.07Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.44Å; N36-L39 PolarHBondContact O-N 3.5Å; N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.32Å
37F98.3Very high98.1Very high124 Ų12492.6 Ų92.654%0.54450%0.501SS..Hα-helixtrans-58.8-44.8176.9-176.8-96.3000111.7D33 F34 L39 I40 M41D33-F37 WeakPolarHBondContact O-CB 3.4Å; D33-F37 PolarHBondContact O-N 3.3Å; F34-F37 PolarHBondContact O-N 3.28Å; F37-L39 VanDerWaalsContact C-N 3.35Å; F37-L39 PolarHBondContact O-N 2.94Å; F37-I40 PolarHBondContact O-N 2.97Å; F37-M41 HydrophobicContact CD1-CG 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.22Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE2-CE 3.65Å; F37-M41 HydrophobicContact CZ-CE 3.48Å; F37-M41 VanDerWaalsContact CZ-CE 3.48Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.31Å; F37-M41 WeakPolarHBondContact O-CG 3.39Å; F37-M41 PolarHBondContact O-N 3.18Å
38Q97.9Very high98.1Very high87 Ų8790 Ų9041%0.40749%0.491SS..Hα-helixtrans-61.3-40.8177.2-176.461.870.100112.5F34 C35 N36 M41 N42F34-Q38 WeakPolarHBondContact O-CB 3.39Å; F34-Q38 PolarHBondContact O-N 3.32Å; C35-Q38 PolarHBondContact O-N 3.25Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.44Å; Q38-M41 PolarHBondContact O-N 3.28Å; Q38-N42 PolarHBondContact NE2-OD1 3.02Å; Q38-N42 WeakPolarHBondContact O-CB 3.35Å; Q38-N42 VanDerWaalsContact O-CG 3.27Å; Q38-N42 PolarHBondContact O-N 3.16Å; Q38-N42 PolarHBondContact O-ND2 3.02Å
39L98.4Very high98.2Very high112 Ų11289.4 Ų89.459%0.58648%0.481SS*.Hα-helixtrans-64.3-44.4177.2-178.8137.9000111.6C35 N36 F37 N42 A43C35-L39 PolarHBondContact O-N 3.45Å; N36-L39 PolarHBondContact O-N 3.5Å; F37-L39 VanDerWaalsContact C-N 3.35Å; F37-L39 PolarHBondContact O-N 2.94Å; L39-N42 PolarHBondContact O-N 3.14Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.43Å
40I98.5Very high98.2Very high88 Ų8892 Ų9245%0.45149%0.49SS..Hα-helixtrans-62.9-44.9177.1-67.8166.1000110.4N36 F37 N42 A43 I44N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.32Å; F37-I40 PolarHBondContact O-N 2.97Å; I40-N42 VanDerWaalsContact C-N 3.35Å; I40-N42 PolarHBondContact O-N 3.49Å; I40-A43 PolarHBondContact O-N 3.36Å; I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CB 3.26Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 2.92Å
41M98.5Very high98.2Very high83 Ų8390.8 Ų90.841%0.40948%0.483SS..Hα-helixtrans-59.5-44.6177-76.8-64.6146.600112.2F37 Q38 I44 F45F37-M41 HydrophobicContact CD1-CG 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.22Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE2-CE 3.65Å; F37-M41 HydrophobicContact CZ-CE 3.48Å; F37-M41 VanDerWaalsContact CZ-CE 3.48Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.31Å; F37-M41 WeakPolarHBondContact O-CG 3.39Å; F37-M41 PolarHBondContact O-N 3.18Å; Q38-M41 PolarHBondContact O-N 3.28Å; M41-I44 PolarHBondContact O-N 2.99Å; M41-F45 WeakPolarHBondContact O-CB 3.37Å; M41-F45 PolarHBondContact O-N 3.31Å
42N98.6Very high98.2Very high89 Ų8995.1 Ų95.148%0.47649%0.486SS..Hα-helixtrans-63.8-42.5176-72.2-12.7000111.9Q38 L39 I40 F45 Q46Q38-N42 PolarHBondContact NE2-OD1 3.02Å; Q38-N42 WeakPolarHBondContact O-CB 3.35Å; Q38-N42 VanDerWaalsContact O-CG 3.27Å; Q38-N42 PolarHBondContact O-N 3.16Å; Q38-N42 PolarHBondContact O-ND2 3.02Å; L39-N42 PolarHBondContact O-N 3.14Å; I40-N42 VanDerWaalsContact C-N 3.35Å; I40-N42 PolarHBondContact O-N 3.49Å; N42-F45 PolarHBondContact O-N 3.22Å; N42-Q46 WeakPolarHBondContact O-CB 3.31Å; N42-Q46 VanDerWaalsContact O-CG 3.26Å; N42-Q46 WeakPolarHBondContact O-CG 3.43Å; N42-Q46 PolarHBondContact O-N 3Å
43A98.7Very high98.2Very high57 Ų5795.8 Ų95.847%0.47149%0.491SS..Hα-helixtrans-63.1-4517800000112L39 I40 Q46 A47L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.43Å; I40-A43 PolarHBondContact O-N 3.36Å; A43-Q46 PolarHBondContact O-N 3.43Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.46Å
44I98.7Very high98.2Very high82 Ų8295.7 Ų95.742%0.42149%0.49SS..Hα-helixtrans-62.8-44.3176.2-69.2170.4000110.6I40 M41 Q46 A47 N48I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CB 3.26Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 2.92Å; M41-I44 PolarHBondContact O-N 2.99Å; I44-Q46 PolarHBondContact O-N 3.42Å; I44-A47 PolarHBondContact O-N 3.31Å; I44-N48 WeakPolarHBondContact O-CB 3.13Å; I44-N48 PolarHBondContact O-N 2.97Å; I44-N48 PolarHBondContact O-ND2 3.47Å
45F98.7Very high98.2Very high113 Ų11395.8 Ų95.850%0.49649%0.49SS..Hα-helixtrans-58.8-48.2176.9177.5-101.7000111.6M41 N42 A47 N48 L49M41-F45 WeakPolarHBondContact O-CB 3.37Å; M41-F45 PolarHBondContact O-N 3.31Å; N42-F45 PolarHBondContact O-N 3.22Å; F45-A47 PolarHBondContact O-N 3.01Å; F45-N48 PolarHBondContact O-N 2.93Å; F45-L49 HydrophobicContact CD1-CD1 4.08Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.85Å; F45-L49 HydrophobicContact CZ-CD2 4.31Å; F45-L49 HydrophobicContact CZ-CG 4.21Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.39Å
46Q98.7Very high98.2Very high108 Ų10898 Ų9851%0.50549%0.491SS..Hα-helixtrans-64.1-39.8177.5-69.5-69.54.700112.5N42 A43 I44 N48 L49 K50N42-Q46 WeakPolarHBondContact O-CB 3.31Å; N42-Q46 VanDerWaalsContact O-CG 3.26Å; N42-Q46 WeakPolarHBondContact O-CG 3.43Å; N42-Q46 PolarHBondContact O-N 3Å; A43-Q46 PolarHBondContact O-N 3.43Å; I44-Q46 PolarHBondContact O-N 3.42Å; Q46-N48 VanDerWaalsContact C-N 3.33Å; Q46-N48 PolarHBondContact O-N 3.38Å; Q46-L49 PolarHBondContact O-N 2.93Å; Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 3.46Å
47A98.7Very high98.1Very high46 Ų4696.7 Ų96.738%0.3849%0.493SS..Hα-helixtrans-60.7-43.2174.500000111.5A43 I44 F45 L49 K50 L51A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.46Å; I44-A47 PolarHBondContact O-N 3.31Å; F45-A47 PolarHBondContact O-N 3.01Å; A47-L49 PolarHBondContact O-N 2.88Å; A47-K50 PolarHBondContact O-N 2.87Å; A47-L51 WeakPolarHBondContact O-CG 3.28Å; A47-L51 PolarHBondContact O-N 2.81Å
48N98.6Very high97.9Very high77 Ų7796.2 Ų96.241%0.41250%0.496SS..Hα-helixtrans-65.4-35.3177.3-77.7-37.7000113.2I44 F45 Q46 R52I44-N48 WeakPolarHBondContact O-CB 3.13Å; I44-N48 PolarHBondContact O-N 2.97Å; I44-N48 PolarHBondContact O-ND2 3.47Å; F45-N48 PolarHBondContact O-N 2.93Å; Q46-N48 VanDerWaalsContact C-N 3.33Å; Q46-N48 PolarHBondContact O-N 3.38Å; N48-R52 WeakPolarHBondContact O-CG 3.49Å; N48-R52 PolarHBondContact O-N 2.97Å; N48-R52 VanDerWaalsContact O-N 3.12Å; N48-R52 PolarHBondContact O-NE 2.73Å
49L98.6Very high97.9Very high68 Ų6898.4 Ų98.436%0.35651%0.51SS..Hα-helixtrans-64.9-44.4172-68.5-178.2000111.3F45 Q46 A47 R52 S53F45-L49 HydrophobicContact CD1-CD1 4.08Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.85Å; F45-L49 HydrophobicContact CZ-CD2 4.31Å; F45-L49 HydrophobicContact CZ-CG 4.21Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 2.93Å; A47-L49 PolarHBondContact O-N 2.88Å; L49-R52 PolarHBondContact O-N 3.08Å; L49-S53 PolarHBondContact O-N 3.17Å
50K98.2Very high97.6Very high143 Ų143101.9 Ų101.962%0.62252%0.515SS*.Hα-helixtrans-61.7-44.8176.1-71.9179.4179.1-179.60112.1Q46 A47 R52 S53 I54Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 3.46Å; A47-K50 PolarHBondContact O-N 2.87Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.26Å; K50-S53 WeakPolarHBondContact O-CB 3.45Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 VanDerWaalsContact O-N 3.15Å; K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.12Å; K50-I54 PolarHBondContact O-N 3.49Å
51L98.4Very high97.3Very high96 Ų96103.1 Ų103.150%0.50353%0.529SS..Hα-helixtrans-60.7-40.3176.9-73.2175.2000112.2A47 I54 K55A47-L51 WeakPolarHBondContact O-CG 3.28Å; A47-L51 PolarHBondContact O-N 2.81Å; L51-I54 PolarHBondContact O-N 3.21Å; L51-K55 WeakPolarHBondContact O-CG 3.47Å; L51-K55 PolarHBondContact O-N 2.91Å
52R97.9Very high97.1Very high153 Ų153103.7 Ų103.758%0.57754%0.537SS*.Hα-helixtrans-63.3-43.6173.3-78.1-174.7-100.9176-9.5111.9N48 L49 K50 I54 K55 Q56N48-R52 WeakPolarHBondContact O-CG 3.49Å; N48-R52 PolarHBondContact O-N 2.97Å; N48-R52 VanDerWaalsContact O-N 3.12Å; N48-R52 PolarHBondContact O-NE 2.73Å; L49-R52 PolarHBondContact O-N 3.08Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.26Å; R52-I54 PolarHBondContact O-N 3.01Å; R52-K55 PolarHBondContact O-N 2.76Å; R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.01Å
53S97.1Very high96.9Very high74 Ų74101.9 Ų101.952%0.51753%0.531SS..Hα-helixtrans-62.2-40.4176.3-173.60000112.5L49 K50 Q56 A57L49-S53 PolarHBondContact O-N 3.17Å; K50-S53 WeakPolarHBondContact O-CB 3.45Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 VanDerWaalsContact O-N 3.15Å; S53-Q56 PolarHBondContact O-N 3.32Å; S53-A57 PolarHBondContact O-N 2.82Å
54I97.5Very high96.7Very high92 Ų92102.6 Ų102.647%0.47254%0.537SS..Hα-helixtrans-65.1-50.2176.9-67.8164.4000109.8K50 L51 R52 Q56 A57 D58K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.12Å; K50-I54 PolarHBondContact O-N 3.49Å; L51-I54 PolarHBondContact O-N 3.21Å; R52-I54 PolarHBondContact O-N 3.01Å; I54-Q56 PolarHBondContact O-N 3.04Å; I54-A57 WeakPolarHBondContact O-CA 3.46Å; I54-A57 WeakPolarHBondContact O-CB 3.39Å; I54-A57 PolarHBondContact O-N 3.2Å; I54-D58 PolarHBondContact O-N 3.18Å
55K97.5Very high96.6Very high150 Ų150104.5 Ų104.565%0.65255%0.548SS*.Hα-helixtrans-55.3-37.9176-74-179.5178.9-175.20112.3L51 R52 L59L51-K55 WeakPolarHBondContact O-CG 3.47Å; L51-K55 PolarHBondContact O-N 2.91Å; R52-K55 PolarHBondContact O-N 2.76Å; K55-L59 WeakPolarHBondContact O-CG 3.35Å; K55-L59 PolarHBondContact O-N 3.45Å
56Q96.6Very high96.4Very high129 Ų129101.7 Ų101.760%0.60354%0.538SS*.Hα-helixtrans-69.5-36.6175.7-177176.5-5.700112.8R52 S53 I54 L59R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.01Å; S53-Q56 PolarHBondContact O-N 3.32Å; I54-Q56 PolarHBondContact O-N 3.04Å; Q56-L59 PolarHBondContact O-N 3.12Å
57A95.2Very high96.2Very high59 Ų59101.5 Ų101.549%0.48854%0.54SS..Hα-helixtrans-68.4-37.9175.700000111.9S53 I54 L59 R60S53-A57 PolarHBondContact O-N 2.82Å; I54-A57 WeakPolarHBondContact O-CA 3.46Å; I54-A57 WeakPolarHBondContact O-CB 3.39Å; I54-A57 PolarHBondContact O-N 3.2Å; A57-L59 PolarHBondContact O-N 3.21Å; A57-R60 CarbonylContact O-C 3.17Å; A57-R60 PolarHBondContact O-N 3.03Å
58D95.9Very high96Very high114 Ų114104.2 Ų104.261%0.6155%0.552SS**Hα-helixtrans-62.3-27.6177.1-66.7-22.3000112.6I54 R60I54-D58 PolarHBondContact O-N 3.18Å; D58-R60 PolarHBondContact O-N 3.48Å
59L96.3Very high95.8Very high134 Ų134107.4 Ų107.470%0.70256%0.558SS**THydrogen-bonded Turntrans-68.4-19.3174.1-64.2173.6000113.2K55 Q56 A57K55-L59 WeakPolarHBondContact O-CG 3.35Å; K55-L59 PolarHBondContact O-N 3.45Å; Q56-L59 PolarHBondContact O-N 3.12Å; A57-L59 PolarHBondContact O-N 3.21Å
60R93.2Very high95.5Very high184 Ų184109.9 Ų109.969%0.69456%0.563SS**SBendtrans-140.871.1-177.6-67.4-172.2179.6800.2110.3A57 D58 V62A57-R60 CarbonylContact O-C 3.17Å; A57-R60 PolarHBondContact O-N 3.03Å; D58-R60 PolarHBondContact O-N 3.48Å; R60-V62 PolarHBondContact O-N 3.25Å
61P92.8Very high95.2Very high115 Ų115105.5 Ų105.575%0.74755%0.554SS**  trans-63.1133.2177.527.6-33.8000109.8
62V93.1Very high94.9Very high94 Ų94107.2 Ų107.257%0.5756%0.559SS**  trans-105.9129.3173.1-172.10000107.8R60 D66 L67R60-V62 PolarHBondContact O-N 3.25Å; V62-D66 HydrophobicContact CG1-CB 4.48Å; V62-L67 HydrophobicContact CB-CD2 4.39Å; V62-L67 HydrophobicContact CB-CG 4.37Å; V62-L67 HydrophobicContact CG1-CD1 4.47Å; V62-L67 HydrophobicContact CG1-CD2 3.74Å; V62-L67 HydrophobicContact CG1-CG 3.73Å
63S94Very high94.5Very high51 Ų51107 Ų10736%0.35756%0.558SS.*  trans-66.2143.8177.679.40000110.7D65 D66 L67S63-D65 PolarHBondContact O-N 2.93Å; S63-D66 PolarHBondContact O-N 2.88Å; S63-D66 VanDerWaalsContact OG-CB 3.24Å; S63-D66 WeakPolarHBondContact OG-CB 3.5Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 VanDerWaalsContact OG-N 3.08Å; S63-D66 PolarHBondContact OG-OD2 3.11Å; S63-L67 PolarHBondContact O-N 3.49Å; S63-L67 VanDerWaalsContact O-N 3.11Å
64A95Very high93.9Very high72 Ų72108.5 Ų108.560%0.59556%0.559SS**Hα-helixtrans-61.4-36.1177.300000111.6D66 L67 V68A64-D66 PolarHBondContact O-N 3.33Å; A64-L67 PolarHBondContact O-N 3.34Å; A64-V68 WeakPolarHBondContact O-CG2 3.07Å; A64-V68 PolarHBondContact O-N 3.37Å
65D96.3Very high93.3Very high123 Ų123108.3 Ų108.366%0.65857%0.566SS**Hα-helixtrans-63-41.2176.9-68.8-48.2000112.3S63 V68 R69S63-D65 PolarHBondContact O-N 2.93Å; D65-V68 PolarHBondContact O-N 3.27Å; D65-R69 VanDerWaalsContact O-CB 3.27Å; D65-R69 WeakPolarHBondContact O-CB 3.24Å; D65-R69 PolarHBondContact O-N 3.45Å
66D95.6Very high92.5Very high53 Ų53104.8 Ų104.828%0.28357%0.565SS.*Hα-helixtrans-66.7-43175.9-71.1-37.8000111.1V62 S63 A64 V68 R69 Y70V62-D66 HydrophobicContact CG1-CB 4.48Å; S63-D66 PolarHBondContact O-N 2.88Å; S63-D66 VanDerWaalsContact OG-CB 3.24Å; S63-D66 WeakPolarHBondContact OG-CB 3.5Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 VanDerWaalsContact OG-N 3.08Å; S63-D66 PolarHBondContact OG-OD2 3.11Å; A64-D66 PolarHBondContact O-N 3.33Å; D66-V68 VanDerWaalsContact C-N 3.32Å; D66-V68 PolarHBondContact O-N 3.17Å; D66-R69 PolarHBondContact O-N 3.24Å; D66-R69 IonicContact OD1-CZ 3.91Å; D66-R69 IonicContact OD1-NH1 3.28Å; D66-R69 PolarHBondContact OD1-NH1 3.27Å; D66-Y70 HydrophobicContact CB-CD2 4.13Å; D66-Y70 HydrophobicContact CB-CE2 3.99Å; D66-Y70 WeakPolarHBondContact O-CB 3.37Å; D66-Y70 WeakPolarHBondContact O-CD2 3.35Å; D66-Y70 PolarHBondContact O-N 3.38Å
67L93.9Very high91.4Very high104 Ų104102 Ų10255%0.54556%0.564SS.*Hα-helixtrans-56.2-46.7175.4-71173.4000111.5V62 S63 A64 A71V62-L67 HydrophobicContact CB-CD2 4.39Å; V62-L67 HydrophobicContact CB-CG 4.37Å; V62-L67 HydrophobicContact CG1-CD1 4.47Å; V62-L67 HydrophobicContact CG1-CD2 3.74Å; V62-L67 HydrophobicContact CG1-CG 3.73Å; S63-L67 PolarHBondContact O-N 3.49Å; S63-L67 VanDerWaalsContact O-N 3.11Å; A64-L67 PolarHBondContact O-N 3.34Å; L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 2.97Å
68V94.5Very high89.9Confident103 Ų103101.7 Ų101.762%0.62455%0.554SS**Hα-helixtrans-65.4-45.9178.1173.40000111.1A64 D65 D66 Y70 A71 H72A64-V68 WeakPolarHBondContact O-CG2 3.07Å; A64-V68 PolarHBondContact O-N 3.37Å; D65-V68 PolarHBondContact O-N 3.27Å; D66-V68 VanDerWaalsContact C-N 3.32Å; D66-V68 PolarHBondContact O-N 3.17Å; V68-Y70 PolarHBondContact O-N 3.15Å; V68-A71 PolarHBondContact O-N 3.42Å; V68-H72 WeakPolarHBondContact O-CB 3.37Å; V68-H72 PolarHBondContact O-N 2.94Å
69R94Very high88.1Confident144 Ų14498.4 Ų98.454%0.54354%0.541SS..Hα-helixtrans-59.8-46.4178.8-173.4-173.2-61.5154.92.6111.4D65 D66 R73D65-R69 VanDerWaalsContact O-CB 3.27Å; D65-R69 WeakPolarHBondContact O-CB 3.24Å; D65-R69 PolarHBondContact O-N 3.45Å; D66-R69 PolarHBondContact O-N 3.24Å; D66-R69 IonicContact OD1-CZ 3.91Å; D66-R69 IonicContact OD1-NH1 3.28Å; D66-R69 PolarHBondContact OD1-NH1 3.27Å; R69-R73 WeakPolarHBondContact O-CB 3.48Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 2.99Å
70Y93.1Very high86.4Confident120 Ų12098.9 Ų98.947%0.47155%0.549SS..Hα-helixtrans-70.9-41178.8-71.3-61.7000112.1D66 V68 H72 R73 I74D66-Y70 HydrophobicContact CB-CD2 4.13Å; D66-Y70 HydrophobicContact CB-CE2 3.99Å; D66-Y70 WeakPolarHBondContact O-CB 3.37Å; D66-Y70 WeakPolarHBondContact O-CD2 3.35Å; D66-Y70 PolarHBondContact O-N 3.38Å; V68-Y70 PolarHBondContact O-N 3.15Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.15Å; Y70-R73 PolarHBondContact O-N 3.41Å; Y70-I74 WeakPolarHBondContact O-CB 3.32Å; Y70-I74 VanDerWaalsContact O-CG1 3.25Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 2.99Å
71A91.5Very high85.1Confident51 Ų5194.9 Ų94.942%0.42155%0.545SS..Hα-helixtrans-59.8-43.2175.400000111.7L67 V68 I74 S75L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 2.97Å; V68-A71 PolarHBondContact O-N 3.42Å; A71-I74 PolarHBondContact O-N 3.44Å; A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.49Å; A71-S75 PolarHBondContact O-OG 3.49Å
72H92.3Very high83.8Confident133 Ų13392.9 Ų92.962%0.61654%0.538SS*.Hα-helixtrans-62.9-47.3173.9178.8-89.5000111.5V68 Y70 I74 S75 A76V68-H72 WeakPolarHBondContact O-CB 3.37Å; V68-H72 PolarHBondContact O-N 2.94Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.15Å; H72-I74 VanDerWaalsContact C-N 3.34Å; H72-I74 PolarHBondContact O-N 3.37Å; H72-S75 PolarHBondContact O-N 2.85Å; H72-A76 VanDerWaalsContact O-CB 3.28Å; H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 2.92Å
73R89.4Confident82.5Confident147 Ų14790.7 Ų90.756%0.55553%0.526SS*.Hα-helixtrans-58.2-44.7176.7-76.4174.965.7-172.61.2112.3R69 Y70 A76 A77R69-R73 WeakPolarHBondContact O-CB 3.48Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 2.99Å; Y70-R73 PolarHBondContact O-N 3.41Å; R73-A76 PolarHBondContact O-N 3.31Å; R73-A77 WeakPolarHBondContact O-CB 3.42Å; R73-A77 PolarHBondContact O-N 3.13Å
74I84.2Confident81.3Confident106 Ų10697 Ų9754%0.54456%0.555SS.*Hα-helixtrans-64.3-44.4178.2-68.3165000110.1Y70 A71 H72 A76 A77 N78Y70-I74 WeakPolarHBondContact O-CB 3.32Å; Y70-I74 VanDerWaalsContact O-CG1 3.25Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 2.99Å; A71-I74 PolarHBondContact O-N 3.44Å; H72-I74 VanDerWaalsContact C-N 3.34Å; H72-I74 PolarHBondContact O-N 3.37Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 2.92Å; I74-A77 PolarHBondContact O-N 3.48Å; I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 2.96Å; I74-N78 VanDerWaalsContact O-N 3.08Å; I74-N78 PolarHBondContact O-ND2 3Å
75S85.1Confident80.3Confident88 Ų8898.8 Ų98.862%0.61556%0.558SS**Hα-helixtrans-66.9-33.8179.4-54.80000112.5A71 H72A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.49Å; A71-S75 PolarHBondContact O-OG 3.49Å; H72-S75 PolarHBondContact O-N 2.85Å
76A81.6Confident79.2Confident76 Ų7694.6 Ų94.663%0.62853%0.533SS*.Hα-helixtrans-77.6-32.1177.100000112.7H72 R73 I74H72-A76 VanDerWaalsContact O-CB 3.28Å; H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 2.92Å; R73-A76 PolarHBondContact O-N 3.31Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 2.92Å
77A72.3Confident78Confident71 Ų7199.3 Ų99.359%0.58755%0.553SS**Hα-helixtrans-91.2-9.6-176.400000114.1R73 I74R73-A77 WeakPolarHBondContact O-CB 3.42Å; R73-A77 PolarHBondContact O-N 3.13Å; I74-A77 PolarHBondContact O-N 3.48Å
78N64.8Low76.8Confident52 Ų52102.2 Ų102.228%0.27856%0.564SS.*  trans-137.7130.3-175-55.1-76.4000111.6I74 V80 P94I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 2.96Å; I74-N78 VanDerWaalsContact O-N 3.08Å; I74-N78 PolarHBondContact O-ND2 3Å; N78-V80 PolarHBondContact O-N 3.21Å; N78-P94 HydrophobicContact CB-CB 4.43Å; N78-P94 WeakPolarHBondContact OD1-CA 3.46Å; N78-P94 WeakPolarHBondContact OD1-CB 3.44Å
79S57.5Low75.6Confident46 Ų4699.9 Ų99.932%0.32256%0.561SS.*  trans-66.2128.5158.8-178.70000108.8T81S79-T81 PolarHBondContact O-N 2.87Å; S79-T81 PolarHBondContact OG-O 2.88Å
80V60.7Low74.5Confident143 Ų14395 Ų9587%0.86755%0.546SS*.SBendtrans-60.9-10.1179.8-164.40000111.9N78N78-V80 PolarHBondContact O-N 3.21Å
81T65.6Low73.3Confident101 Ų10194.6 Ų94.662%0.6256%0.558SS**SBendtrans-149136176.251.50000111S79 P83S79-T81 PolarHBondContact O-N 2.87Å; S79-T81 PolarHBondContact OG-O 2.88Å; T81-P83 WeakPolarHBondContact O-CD 3.46Å
82A64.6Low72.2Confident73 Ų7397.7 Ų97.760%0.60356%0.563SS**  trans-66.2110.5168.200000111W86A82-W86 VanDerWaalsContact CA-CH2 3.46Å; A82-W86 HydrophobicContact CB-CD2 4.22Å; A82-W86 HydrophobicContact CB-CE3 3.33Å; A82-W86 HydrophobicContact CB-CH2 3.94Å; A82-W86 HydrophobicContact CB-CZ3 3.18Å
83P67.2Low71.2Confident48 Ų4895.6 Ų95.631%0.31255%0.55SS.*  trans-58.7144.5169-16.632.5000110.1T81 T85 W86T81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-T85 PolarHBondContact O-N 3.08Å; P83-W86 HydrophobicContact CG-CD2 4.49Å; P83-W86 HydrophobicContact CG-CZ2 4.3Å; P83-W86 PolarHBondContact O-N 2.9Å
84L68.5Low70.3Confident184 Ų18491 Ų9196%0.96354%0.54SS*.THydrogen-bonded Turntrans-59.4-16179.2-171.161.5000113
85T72.8Confident69.6Low108 Ų10893.3 Ų93.366%0.66355%0.546SS*.THydrogen-bonded Turntrans-95.6-1.6-176.1540000114.6P83 Q87P83-T85 PolarHBondContact O-N 3.08Å; T85-Q87 WeakPolarHBondContact O-CG 3.08Å; T85-Q87 PolarHBondContact O-N 3.25Å
86W75.2Confident69Low36 Ų3693.1 Ų93.114%0.13654%0.542CS..  trans-58113.9178.8-84.2-6.3000110.5A82 P83 E92 R93 P94A82-W86 VanDerWaalsContact CA-CH2 3.46Å; A82-W86 HydrophobicContact CB-CD2 4.22Å; A82-W86 HydrophobicContact CB-CE3 3.33Å; A82-W86 HydrophobicContact CB-CH2 3.94Å; A82-W86 HydrophobicContact CB-CZ3 3.18Å; P83-W86 HydrophobicContact CG-CD2 4.49Å; P83-W86 HydrophobicContact CG-CZ2 4.3Å; P83-W86 PolarHBondContact O-N 2.9Å; W86-E92 HydrophobicContact CZ2-CB 4.13Å; W86-E92 WeakPolarHBondContact CZ2-O 3.43Å; W86-R93 HydrophobicContact CB-CG 4.45Å; W86-R93 HydrophobicContact CD2-CG 3.96Å; W86-R93 HydrophobicContact CE3-CG 3.99Å; W86-R93 HydrophobicContact CG-CG 4.2Å; W86-R93 PolarHBondContact O-NH2 3.38Å; W86-P94 HydrophobicContact CH2-CG 4.21Å; W86-P94 HydrophobicContact CZ3-CG 4.06Å
87Q69.4Low68.8Low151 Ų15190.8 Ų90.871%0.70652%0.52SS*.  trans-101162.1175.4-63.6-137.6-25.100111T85 G89 D90 R93T85-Q87 WeakPolarHBondContact O-CG 3.08Å; T85-Q87 PolarHBondContact O-N 3.25Å; Q87-G89 PolarHBondContact O-N 2.91Å; Q87-D90 VanDerWaalsContact O-CB 3.28Å; Q87-D90 WeakPolarHBondContact O-CB 3.17Å; Q87-D90 PolarHBondContact O-N 3.48Å; Q87-D90 VanDerWaalsContact O-N 3.08Å; Q87-R93 VanDerWaalsContact O-CZ 3.25Å; Q87-R93 PolarHBondContact O-NE 3.39Å; Q87-R93 PolarHBondContact O-NH2 3.11Å
88Q68.6Low69.1Low165 Ų16591.9 Ų91.977%0.77152%0.516SS*.THydrogen-bonded Turntrans-59.5126.8176.8-172.8175.57.900108.8D98Q88-D98 PolarHBondContact NE2-OD2 2.76Å
89G69.7Low69.7Low55 Ų5595.7 Ų95.757%0.56754%0.536SS*.THydrogen-bonded Turntrans94.31.1-174.600000115.5Q87 P91Q87-G89 PolarHBondContact O-N 2.91Å; G89-P91 WeakPolarHBondContact O-CD 3.45Å
90D70.1Confident70.9Confident42 Ų4298.1 Ų98.123%0.22554%0.543CS..  trans-69.7120.4173.3-164.9-31.3000110.9Q87 E92 R93Q87-D90 VanDerWaalsContact O-CB 3.28Å; Q87-D90 WeakPolarHBondContact O-CB 3.17Å; Q87-D90 PolarHBondContact O-N 3.48Å; Q87-D90 VanDerWaalsContact O-N 3.08Å; D90-E92 PolarHBondContact O-N 3.32Å; D90-E92 PolarHBondContact OD1-N 3.29Å; D90-R93 HydrophobicContact CB-CG 4.27Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.21Å
91P68.9Low72Confident110 Ų11097 Ų9771%0.71453%0.529SS*.THydrogen-bonded Turntrans-68-16.5-17627.5-35.9000114G89 R93G89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-R93 PolarHBondContact O-N 2.84Å
92E67.1Low72.8Confident116 Ų116100.9 Ų100.954%0.54253%0.533SS..THydrogen-bonded Turntrans-79.8-1.5178.5-68-160.6159.900113.9W86 D90W86-E92 HydrophobicContact CZ2-CB 4.13Å; W86-E92 WeakPolarHBondContact CZ2-O 3.43Å; D90-E92 PolarHBondContact O-N 3.32Å; D90-E92 PolarHBondContact OD1-N 3.29Å
93R71.2Confident73.8Confident90 Ų90100.5 Ų100.534%0.3453%0.525SS..  trans-66.6133.4178.9-72.8174173-103-0110.7W86 Q87 D90 P91 F95W86-R93 HydrophobicContact CB-CG 4.45Å; W86-R93 HydrophobicContact CD2-CG 3.96Å; W86-R93 HydrophobicContact CE3-CG 3.99Å; W86-R93 HydrophobicContact CG-CG 4.2Å; W86-R93 PolarHBondContact O-NH2 3.38Å; Q87-R93 VanDerWaalsContact O-CZ 3.25Å; Q87-R93 PolarHBondContact O-NE 3.39Å; Q87-R93 PolarHBondContact O-NH2 3.11Å; D90-R93 HydrophobicContact CB-CG 4.27Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.21Å; P91-R93 PolarHBondContact O-N 2.84Å; R93-F95 PolarHBondContact O-N 3.03Å; R93-F95 VanDerWaalsContact O-N 3.11Å
94P71.4Confident74.6Confident51 Ų5199.5 Ų99.533%0.33152%0.524SS..SBendtrans-70.5-8.6-177.927.8-35.9000113.8N78 W86N78-P94 HydrophobicContact CB-CB 4.43Å; N78-P94 WeakPolarHBondContact OD1-CA 3.46Å; N78-P94 WeakPolarHBondContact OD1-CB 3.44Å; W86-P94 HydrophobicContact CH2-CG 4.21Å; W86-P94 HydrophobicContact CZ3-CG 4.06Å
95F69.9Low75.6Confident153 Ų15399.5 Ų99.567%0.67151%0.511SS*.SBendtrans-108.6139.8177.9-56.6-70.8000109.7R93 T97R93-F95 PolarHBondContact O-N 3.03Å; R93-F95 VanDerWaalsContact O-N 3.11Å; F95-T97 PolarHBondContact O-N 3.02Å
96P72.5Confident76.2Confident84 Ų84100.2 Ų100.255%0.54551%0.51SS..  trans-53.3131.7177.1-25.433.7000111.6E100 M101P96-E100 VanDerWaalsContact CA-OE2 3.28Å; P96-E100 WeakPolarHBondContact CA-OE2 3.28Å; P96-E100 HydrophobicContact CB-CB 4.28Å; P96-M101 HydrophobicContact CB-CG 3.95Å
97T76.3Confident76.6Confident27 Ų27100.2 Ų100.217%0.16652%0.516CS..  trans-70160.3174.850.80000111.3F95 L99 E100 M101F95-T97 PolarHBondContact O-N 3.02Å; T97-L99 PolarHBondContact O-N 3.44Å; T97-L99 VanDerWaalsContact O-N 3.13Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 WeakPolarHBondContact O-CA 3.17Å; T97-E100 WeakPolarHBondContact O-CB 3.46Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CG 3.15Å; T97-E100 PolarHBondContact OG1-OE2 3.25Å; T97-M101 WeakPolarHBondContact O-CG 3.25Å; T97-M101 PolarHBondContact O-N 3.45Å
98D79.1Confident77.3Confident94 Ų94102 Ų10250%0.50352%0.516SS..Hα-helixtrans-53.2-37.6177.7-65.1-47.3000112.1Q88 M101 R102Q88-D98 PolarHBondContact NE2-OD2 2.76Å; D98-M101 PolarHBondContact O-N 3.31Å; D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 VanDerWaalsContact O-CG 3.24Å; D98-R102 WeakPolarHBondContact O-CG 3.24Å; D98-R102 PolarHBondContact O-N 3.47Å
99L78Confident78Confident133 Ų13398.6 Ų98.670%0.69650%0.502SS*.Hα-helixtrans-62.7-47.6175.6-176.369000111.3T97 R102 S103T97-L99 PolarHBondContact O-N 3.44Å; T97-L99 VanDerWaalsContact O-N 3.13Å; L99-R102 PolarHBondContact O-N 3.39Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.12Å
100E82.2Confident78.4Confident97 Ų97101.3 Ų101.345%0.45351%0.508SS..Hα-helixtrans-64.3-42.7177.9-70.8170.3157.700111.4P96 T97 R102 S103 G104P96-E100 VanDerWaalsContact CA-OE2 3.28Å; P96-E100 WeakPolarHBondContact CA-OE2 3.28Å; P96-E100 HydrophobicContact CB-CB 4.28Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 WeakPolarHBondContact O-CA 3.17Å; T97-E100 WeakPolarHBondContact O-CB 3.46Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CG 3.15Å; T97-E100 PolarHBondContact OG1-OE2 3.25Å; E100-R102 PolarHBondContact O-N 3.18Å; E100-S103 WeakPolarHBondContact CA-OG 3.25Å; E100-S103 PolarHBondContact O-N 3.49Å; E100-S103 VanDerWaalsContact O-N 3.16Å; E100-S103 PolarHBondContact O-OG 3.1Å; E100-G104 PolarHBondContact O-N 2.71Å; E100-G104 VanDerWaalsContact O-N 3.1Å
101M83.2Confident77.9Confident118 Ų118101 Ų10158%0.58152%0.515SS*.Hα-helixtrans-58.6-47.6174.9-72.1-179.648.700111.7P96 T97 D98 S103 G104P96-M101 HydrophobicContact CB-CG 3.95Å; T97-M101 WeakPolarHBondContact O-CG 3.25Å; T97-M101 PolarHBondContact O-N 3.45Å; D98-M101 PolarHBondContact O-N 3.31Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.2Å; M101-G104 PolarHBondContact O-N 3.4Å
102R84.2Confident77.3Confident184 Ų18499.9 Ų99.969%0.69452%0.523SS*.Hα-helixtrans-68.2-25.1177.3-70.9178.575.1-143.92.4113D98 L99 E100 G104 S107D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 VanDerWaalsContact O-CG 3.24Å; D98-R102 WeakPolarHBondContact O-CG 3.24Å; D98-R102 PolarHBondContact O-N 3.47Å; L99-R102 PolarHBondContact O-N 3.39Å; E100-R102 PolarHBondContact O-N 3.18Å; R102-G104 VanDerWaalsContact C-N 3.32Å; R102-S107 WeakPolarHBondContact O-CB 3.01Å; R102-S107 PolarHBondContact O-OG 3.46Å
103S84.8Confident76.6Confident64 Ų6496.9 Ų96.945%0.44852%0.518SS..Hα-helixtrans-79.8-15.5175.481.40000113.7L99 E100 M101 R108L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.12Å; E100-S103 WeakPolarHBondContact CA-OG 3.25Å; E100-S103 PolarHBondContact O-N 3.49Å; E100-S103 VanDerWaalsContact O-N 3.16Å; E100-S103 PolarHBondContact O-OG 3.1Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.2Å; S103-R108 PolarHBondContact O-NE 2.98Å; S103-R108 PolarHBondContact O-NH2 3.21Å
104G84.4Confident75.6Confident27 Ų27100.8 Ų100.828%0.27854%0.54SS..SBendtrans-67.5161.8-17500000114.1E100 M101 R102 L106 S107 R108E100-G104 PolarHBondContact O-N 2.71Å; E100-G104 VanDerWaalsContact O-N 3.1Å; M101-G104 PolarHBondContact O-N 3.4Å; R102-G104 VanDerWaalsContact C-N 3.32Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.16Å; G104-S107 PolarHBondContact O-N 2.92Å; G104-R108 PolarHBondContact O-N 2.82Å
105W88.6Confident74.7Confident185 Ų185107.9 Ų107.970%0.70157%0.566SS**Hα-helixtrans-58.1-39-178.2-176.677.2000112.9S107 R108 I109W105-S107 PolarHBondContact O-N 3.42Å; W105-R108 WeakPolarHBondContact O-CB 3.35Å; W105-R108 PolarHBondContact O-N 3.42Å; W105-R108 VanDerWaalsContact O-N 3.12Å; W105-I109 HydrophobicContact CD2-CG2 4.19Å; W105-I109 HydrophobicContact CE3-CD1 3.96Å; W105-I109 HydrophobicContact CH2-CD1 3.78Å; W105-I109 HydrophobicContact CH2-CG2 4.38Å; W105-I109 HydrophobicContact CZ2-CD1 4.35Å; W105-I109 HydrophobicContact CZ2-CG2 3.86Å; W105-I109 HydrophobicContact CZ3-CD1 3.56Å; W105-I109 PolarHBondContact O-N 2.71Å; W105-I109 VanDerWaalsContact O-N 3.14Å
106L86Confident73.7Confident123 Ų123106 Ų10664%0.64457%0.572SS**Hα-helixtrans-56.3-48.9177.1-70174.5000112.2G104 R108 I109 T110G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.16Å; L106-R108 PolarHBondContact O-N 2.89Å; L106-I109 HydrophobicContact CD2-CD1 4.19Å; L106-I109 WeakPolarHBondContact O-CG1 3.27Å; L106-I109 PolarHBondContact O-N 2.95Å; L106-T110 WeakPolarHBondContact O-CG2 3.36Å; L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 2.86Å
107S83.9Confident72.4Confident36 Ų36105.1 Ų105.125%0.25257%0.572SS.*Hα-helixtrans-58.9-33.6177.7179.10000112.7R102 G104 W105R102-S107 WeakPolarHBondContact O-CB 3.01Å; R102-S107 PolarHBondContact O-OG 3.46Å; G104-S107 PolarHBondContact O-N 2.92Å; W105-S107 PolarHBondContact O-N 3.42Å
108R83.4Confident71.1Confident187 Ų187108.9 Ų108.971%0.70660%0.596SS**Hα-helixtrans-72.9-38.6178.6-58.1-178.5-156176.54.2112.6S103 G104 W105 L106S103-R108 PolarHBondContact O-NE 2.98Å; S103-R108 PolarHBondContact O-NH2 3.21Å; G104-R108 PolarHBondContact O-N 2.82Å; W105-R108 WeakPolarHBondContact O-CB 3.35Å; W105-R108 PolarHBondContact O-N 3.42Å; W105-R108 VanDerWaalsContact O-N 3.12Å; L106-R108 PolarHBondContact O-N 2.89Å
109I83.9Confident69.9Low95 Ų95111.3 Ų111.349%0.48761%0.608SS.*Hα-helixtrans-81.5-29.2-178.161.6163.2000113W105 L106 G111W105-I109 HydrophobicContact CD2-CG2 4.19Å; W105-I109 HydrophobicContact CE3-CD1 3.96Å; W105-I109 HydrophobicContact CH2-CD1 3.78Å; W105-I109 HydrophobicContact CH2-CG2 4.38Å; W105-I109 HydrophobicContact CZ2-CD1 4.35Å; W105-I109 HydrophobicContact CZ2-CG2 3.86Å; W105-I109 HydrophobicContact CZ3-CD1 3.56Å; W105-I109 PolarHBondContact O-N 2.71Å; W105-I109 VanDerWaalsContact O-N 3.14Å; L106-I109 HydrophobicContact CD2-CD1 4.19Å; L106-I109 WeakPolarHBondContact O-CG1 3.27Å; L106-I109 PolarHBondContact O-N 2.95Å; I109-G111 PolarHBondContact O-N 3.43Å
110T78.1Confident68.2Low111 Ų111109.9 Ų109.968%0.68161%0.609SS**SBendtrans-81.90.3179.257.60000113.2L106L106-T110 WeakPolarHBondContact O-CG2 3.36Å; L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 2.86Å
111G58.8Low66.4Low37 Ų37111.1 Ų111.138%0.38162%0.623SS.*  trans84.7115.7-177.700000111I109 A113I109-G111 PolarHBondContact O-N 3.43Å; G111-A113 PolarHBondContact O-N 2.82Å
112G56.7Low64.3Low85 Ų85112.8 Ų112.888%0.87663%0.634SS**SBendtrans-67.93816100000112.8
113A52.9Low62.5Low53 Ų53108.3 Ų108.344%0.43864%0.636SS.*SBendtrans-118.1147.7173.400000107.8G111 F115G111-A113 PolarHBondContact O-N 2.82Å; A113-F115 PolarHBondContact O-N 3.11Å; A113-F115 VanDerWaalsContact O-N 3.15Å
114E49.3Very low60.6Low172 Ų172112.6 Ų112.680%0.80465%0.649SS**SBendtrans66.9-22.5172.513-72.8171.400124S116E114-S116 PolarHBondContact O-N 3.3Å
115F52.6Low59.1Low200 Ų200116.5 Ų116.588%0.87767%0.669SS**  trans-8252.4177.5-130-87.5000113.3A113A113-F115 PolarHBondContact O-N 3.11Å; A113-F115 VanDerWaalsContact O-N 3.15Å
116S49.3Very low57.7Low114 Ų114113.7 Ų113.780%0.79768%0.675SS**  trans-114.557.91671800000108.9E114E114-S116 PolarHBondContact O-N 3.3Å
117A44.5Very low55.8Low66 Ų66114.5 Ų114.555%0.54569%0.685SS.*  trans-119.2107.9163.300000108I119A117-I119 VanDerWaalsContact C-N 3.28Å; A117-I119 PolarHBondContact O-N 3.14Å
118P49.3Very low54.2Low105 Ų105121.3 Ų121.368%0.68272%0.715SS**  trans-64.799.415927.8-28.6000106.6S120P118-S120 PolarHBondContact O-N 3.35Å; P118-S120 VanDerWaalsContact O-N 3.16Å
119I53.4Low52.3Low146 Ų146116.8 Ų116.875%0.74971%0.712SS**SBendtrans-60.1116.9153.8-60.7172.2000103.8A117A117-I119 VanDerWaalsContact C-N 3.28Å; A117-I119 PolarHBondContact O-N 3.14Å
120S42.6Very low50.5Low103 Ų103116.7 Ų116.772%0.7272%0.72SS**  trans91.476.6-166.9-37.60000113.2P118P118-S120 PolarHBondContact O-N 3.35Å; P118-S120 VanDerWaalsContact O-N 3.16Å
121T43.7Very low48.9Very low122 Ų122120.3 Ų120.375%0.74873%0.728SS**  -162.4109.6110.6-60.20000107.8A123T121-A123 PolarHBondContact O-N 2.97Å
122L40.1Very low48.1Very low153 Ų153127 Ų12780%0.80175%0.752SS**  trans-45.796.9162.7-173.269.7000109.9
123A45.6Very low47.7Very low90 Ų90130.1 Ų130.174%0.74475%0.754SS**  trans-108.1109.8170.600000108T121T121-A123 PolarHBondContact O-N 2.97Å
124H44.7Very low47Very low155 Ų155132.9 Ų132.972%0.71877%0.77SS**PPolyproline II helixtrans-55.2135.5-178.5-51.3143.4000111.9
125P54.4Low47Very low109 Ų109131.6 Ų131.671%0.70877%0.773SS**PPolyproline II helixtrans-72.1146.2165.430-31.1000109.9V127P125-V127 PolarHBondContact O-N 3.25Å
126P57.9Low46.2Very low126 Ų126129.3 Ų129.382%0.81877%0.77SS**PPolyproline II helixtrans-67.2124.4175.127.4-31.6000110.1M128P126-M128 PolarHBondContact O-N 2.92Å
127V46.6Very low46Very low140 Ų140128.8 Ų128.885%0.84877%0.766SS**  trans-67.5112.3173.9175.50000109P125P125-V127 PolarHBondContact O-N 3.25Å
128M50.8Low46Very low178 Ų178131.6 Ų131.688%0.87778%0.777SS**  trans-106.6105.4158.1-74.4-119.589.900108.6P126P126-M128 PolarHBondContact O-N 2.92Å
129S42.7Very low45.8Very low93 Ų93135.4 Ų135.465%0.6579%0.785SS**  trans24.6124.4146.2-1520000120.1
130S46Very low45.2Very low93 Ų93132.9 Ų132.965%0.6579%0.786SS**  trans107.7128.3134.5-64.30000119.4
131H44.7Very low45.8Very low186 Ų186135.9 Ų135.986%0.86179%0.792SS**  trans86.6110.6160.4-65.6-68.5000119.3
132M42.5Very low45.6Very low178 Ų178136.2 Ų136.288%0.87779%0.794SS**  trans-68.6142.8172-49-155.477.900111.4
133V49.1Very low45.5Very low151 Ų151136.1 Ų136.192%0.91579%0.794SS**  trans-162.2132.7130.7-87.30000108.8
134S37.9Very low45.6Very low110 Ų110137.4 Ų137.477%0.76980%0.795SS**  trans-91.5137.6175.3165.70000109
135V49.6Very low45.3Very low145 Ų145134.8 Ų134.888%0.87979%0.793SS**  trans-162.3127.2146.6-86.10000110.4
136D35Very low44.8Very low152 Ų152138.6 Ų138.681%0.81380%0.802SS**  trans-62.1148.4165.6-69.1-51.1000111.6
137S45.9Very low44.1Very low103 Ų103136.8 Ų136.872%0.7279%0.792SS**  trans170.3113.5134.5-830000113.8
138V44.3Very low43.9Very low126 Ų126136.9 Ų136.976%0.76479%0.788SS**  trans23.9119.8133-69.90000119
139H45.3Very low43.8Very low185 Ų185135.7 Ų135.786%0.85679%0.79SS**  trans-140.199.5144.2-89.766.9000108.8
140A40.9Very low43.9Very low93 Ų93136.7 Ų136.777%0.76980%0.798SS**  trans-76.5136.6160.400000108.4
141I53.3Low43.7Very low165 Ų165138.4 Ų138.485%0.84681%0.807SS**  trans-116.5132.1165.7-59-176.8000108.5
142T41.4Very low43.7Very low130 Ų130136.1 Ų136.180%0.79881%0.805SS**  trans-86.9144.1-160.6-620000112.4
143L38Very low43.7Very low151 Ų151132.1 Ų132.179%0.79180%0.8SS**  trans-63.6168168.7-143.780.9000111.5
144P46.9Very low43.2Very low117 Ų117130.7 Ų130.776%0.7680%0.797SS**  -15515793.237.6-18.1000117.7
145S38Very low43.6Very low99 Ų99134.5 Ų134.569%0.69280%0.803SS**  trans67.3109.8135-171.50000120.2
146Q43.3Very low43.3Very low189 Ų189137.2 Ų137.288%0.88380%0.803SS**  -166.8158.7107-101.6-171.223.700111.3
147S43Very low43.5Very low89 Ų89138.5 Ų138.562%0.62281%0.809SS**  trans-95.6171.7-150.652.20000115
148D42.9Very low43.3Very low141 Ų141136.4 Ų136.475%0.75480%0.803SS**  trans75.391155-51.9-47.9000118.4
149V48.5Very low43.3Very low153 Ų153136.6 Ų136.693%0.92781%0.807SS**  -170.6140.5106.4-1190000111.4
150S45Very low43.3Very low115 Ų115132.9 Ų132.980%0.80480%0.802SS**PPolyproline II helixtrans-58.4162.9-178-61.60000116.1
151P41.3Very low43.4Very low129 Ų129133.6 Ų133.684%0.83881%0.808SS**PPolyproline II helixtrans-93.2137.8-151.135.4-31.8000113.6
152V46.3Very low42.9Very low137 Ų137130.8 Ų130.883%0.8380%0.802SS**PPolyproline II helixtrans-97.6124.9155.664.40000108.2S154V152-S154 PolarHBondContact O-N 3.24Å
153A40.9Very low42.7Very low94 Ų94135.1 Ų135.178%0.77780%0.804SS**PPolyproline II helixtrans-56.7123.8-176.500000111.7Q155A153-Q155 PolarHBondContact O-N 3.36Å
154S40.5Very low43.4Very low122 Ų122133.7 Ų133.785%0.85380%0.804SS**  trans-73.1109.7173.2-53.50000110.3V152 K156V152-S154 PolarHBondContact O-N 3.24Å; S154-K156 PolarHBondContact O-N 3.39Å
155Q46.3Very low43.2Very low190 Ų190133 Ų13389%0.88880%0.802SS**  trans-83.7102.8160.6-71.3-168.3-6.600109.1A153 L157A153-Q155 PolarHBondContact O-N 3.36Å; Q155-L157 PolarHBondContact O-N 3.25Å
156K41.8Very low43.5Very low202 Ų202134.8 Ų134.888%0.87881%0.811SS**  trans-11.4104.9160.7-162.5164.7-179.1-176.10115S154 G158S154-K156 PolarHBondContact O-N 3.39Å; K156-G158 PolarHBondContact O-N 3.11Å; K156-G158 VanDerWaalsContact O-N 3.13Å
157L38.8Very low43.7Very low178 Ų178136.4 Ų136.493%0.93281%0.809SS**  trans-60.9105.5162-78.4151.4000109.2Q155Q155-L157 PolarHBondContact O-N 3.25Å
158G41.9Very low43.5Very low59 Ų59137.1 Ų137.161%0.60881%0.814SS**  trans-93.2144.3158.300000109.3K156K156-G158 PolarHBondContact O-N 3.11Å; K156-G158 VanDerWaalsContact O-N 3.13Å
159P45.4Very low43.6Very low130 Ų130135.7 Ų135.784%0.84481%0.81SS**SBendtrans-77.8152.5-176.332.9-32.5000111.1
160S45.8Very low43.5Very low107 Ų107139 Ų13975%0.74881%0.808SS**  trans78.482.1165.5-1630000117C162S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 3.46Å; S160-C162 VanDerWaalsContact O-N 3.14Å
161A41.9Very low43.8Very low108 Ų108140.6 Ų140.689%0.89380%0.804SS**  trans-74.185.5148.200000108.2
162C43.8Very low44.2Very low107 Ų107140 Ų14072%0.72380%0.8SS**  trans-82.6131.4163.2-160.20000107.6S160S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 3.46Å; S160-C162 VanDerWaalsContact O-N 3.14Å
163W37.2Very low44.2Very low220 Ų220139.2 Ų139.283%0.83380%0.801SS**  trans-46.8134.3-179.2-71.779.1000111.8S165W163-S165 PolarHBondContact O-N 2.84Å
164P52.9Low44.3Very low122 Ų122140.2 Ų140.279%0.79280%0.8SS**  trans-65.6110.8176.525.3-29.8000108.9
165S40.9Very low44.5Very low102 Ų102146.2 Ų146.271%0.71380%0.804SS**  trans-59.8135.8166.5-83.20000109.5W163 R167W163-S165 PolarHBondContact O-N 2.84Å; S165-R167 PolarHBondContact O-N 3.26Å
166P46.2Very low44.3Very low136 Ų136141.6 Ų141.688%0.88380%0.797SS**  trans-76.373.1172.532-31.4000108.5
167R47.1Very low44.5Very low224 Ų224143.4 Ų143.485%0.84580%0.799SS**  trans-97.9102.1173.2-144.8177.8-162.7-1464.6109.2S165S165-R167 PolarHBondContact O-N 3.26Å
168S37.6Very low44.9Very low103 Ų103143.1 Ų143.172%0.7280%0.797SS**  trans41.895.7138.4-164.50000115.8
169T45.9Very low45Very low111 Ų111145.5 Ų145.568%0.68180%0.802SS**  trans-133.370.3152.3-34.80000108.3M171T169-M171 VanDerWaalsContact C-N 3.26Å; T169-M171 HydrophobicContact CG2-CE 3.44Å; T169-M171 VanDerWaalsContact CG2-CE 3.44Å; T169-M171 HydrophobicContact CG2-CG 4.03Å; T169-M171 PolarHBondContact O-N 2.88Å; T169-M171 VanDerWaalsContact O-N 3.07Å
170Y45.2Very low45Very low224 Ų224146.9 Ų146.988%0.87880%0.802SS**  trans-70.192.8156.6-105.5-90.8000106.8
171M52.1Low44.9Very low147 Ų147146 Ų14672%0.72480%0.802SS**PPolyproline II helixtrans-73.2126.2161.5-75.5-69.5122.600107.9T169T169-M171 VanDerWaalsContact C-N 3.26Å; T169-M171 HydrophobicContact CG2-CE 3.44Å; T169-M171 VanDerWaalsContact CG2-CE 3.44Å; T169-M171 HydrophobicContact CG2-CG 4.03Å; T169-M171 PolarHBondContact O-N 2.88Å; T169-M171 VanDerWaalsContact O-N 3.07Å
172P50.8Low44.6Very low116 Ų116146.5 Ų146.575%0.75380%0.797SS**PPolyproline II helixtrans-79.2125.2178.629.9-28.8000109.9
173S44.6Very low44.8Very low121 Ų121148.5 Ų148.585%0.84681%0.806SS**PPolyproline II helixtrans-83.1128.5170.3-156.70000109.5
174P44.7Very low45.2Very low116 Ų116143.3 Ų143.375%0.75380%0.803SS**  trans-96.2112-176.333.4-27.5000111.4
175R44.8Very low44.6Very low248 Ų248143.7 Ų143.794%0.93681%0.806SS**  trans-173142.5145.4-120.4167.6168.8150.5-4.6114.9
176A42.1Very low44.6Very low92 Ų92142.2 Ų142.276%0.7681%0.806SS**  trans84.284.7154.300000119
177R44.4Very low44.5Very low240 Ų240142.3 Ų142.391%0.90681%0.809SS**  trans13.6124.5133.2-61.5179.2-165.1-150.71.3117.6
178L48.7Very low44.5Very low172 Ų172138.4 Ų138.490%0.90181%0.81SS**  -162128.8129-97.7153.5000107.8
179P44.2Very low44.6Very low109 Ų109137.8 Ų137.871%0.70881%0.811SS**  trans-91.9141.3177.634.9-27.8000110
180N44.2Very low44.6Very low159 Ų159137.7 Ų137.785%0.8581%0.812SS**  trans-165.7114.4132.8-104.64.6000112.8
181A43.6Very low44.4Very low89 Ų89135.3 Ų135.374%0.73681%0.813SS**  trans49.1103.113600000120
182C36.2Very low44.1Very low119 Ų119131.6 Ų131.680%0.80481%0.812SS**  trans-45.2140.314649.10000115.5
183V46.7Very low43.6Very low148 Ų148135.4 Ų135.490%0.89782%0.82SS**  trans-146.8137.7136.9-176.80000109.6
184S46Very low43.5Very low111 Ų111141.3 Ų141.378%0.77682%0.824SS**  trans-65.4174.8-168.5-72.30000118.7
185P41.2Very low43.6Very low130 Ų130141.3 Ų141.384%0.84482%0.822SS**  trans-103160.5-155.539-31.3000115.1
186G39.9Very low43.7Very low71 Ų71135.3 Ų135.373%0.73281%0.812SS**  trans129.3108.915900000113.6
187C44Very low43.9Very low139 Ų139142.2 Ų142.294%0.93982%0.819SS**  trans178146.3147.3-88.20000109.1
188V48.6Very low44.5Very low142 Ų142135.9 Ų135.986%0.86181%0.807SS**  trans-107.3130.6-156.5-177.40000112
189A39.5Very low44.6Very low90 Ų90133.3 Ų133.374%0.74480%0.8SS**  trans53.4171.415000000120.9
190P44.7Very low44.5Very low108 Ų108132.6 Ų132.670%0.70180%0.804SS**  cis-130.7178.5-12.134.9-15000114.3
191I41.7Very low44.7Very low174 Ų174130.7 Ų130.789%0.89280%0.798SS**  trans62.1106.1154.4-67154.7000117.3
192G45.1Very low44.5Very low70 Ų70132.7 Ų132.772%0.72279%0.792SS**  trans-176.4122.2168.400000111.4R194G192-R194 PolarHBondContact O-N 2.89Å
193Q41.4Very low44.7Very low195 Ų195134.2 Ų134.291%0.91179%0.792SS**  trans-45.3122.4-174.3-64.6160.7-39.600113.4
194R40.8Very low44.7Very low245 Ų245133.7 Ų133.793%0.92578%0.78SS**  trans-100.893.4169.7-156.8175.4-174.7-171.41.4109.7G192 V196G192-R194 PolarHBondContact O-N 2.89Å; R194-V196 PolarHBondContact O-N 3.39Å
195T47.5Very low44.3Very low117 Ų117133.1 Ų133.172%0.71878%0.782SS**  trans-53.4114.7168.1-55.60000110.4R197T195-R197 PolarHBondContact O-N 3.45Å
196V47.3Very low44.6Very low121 Ų121132 Ų13273%0.73377%0.767SS**  trans-70.3109.3166.7177.80000107.4R194 T198R194-V196 PolarHBondContact O-N 3.39Å; V196-T198 HydrophobicContact CG1-CG2 4.08Å; V196-T198 PolarHBondContact O-N 2.99Å
197R46.6Very low44.6Very low237 Ų237137.6 Ų137.689%0.89477%0.772SS**  trans-81.794.4166.9-75.1-174.8172.1-179.5-2.1108.4T195T195-R197 PolarHBondContact O-N 3.45Å
198T56.5Low44.8Very low108 Ų108139.8 Ų139.866%0.66376%0.76SS**  trans-75.9139.2160.645.10000109.6V196 A200V196-T198 HydrophobicContact CG1-CG2 4.08Å; V196-T198 PolarHBondContact O-N 2.99Å; T198-A200 PolarHBondContact O-N 3.5Å
199P50.9Low44.3Very low117 Ų117140.2 Ų140.276%0.7676%0.757SS**  trans-70.9113.2163.830-28.1000107.8V201P199-V201 PolarHBondContact O-N 3.31Å; P199-V201 VanDerWaalsContact O-N 3.11Å
200A41.5Very low44.7Very low95 Ų95142.9 Ų142.979%0.78576%0.758SS**  trans-69.3101.4170.700000108.7T198 H202T198-A200 PolarHBondContact O-N 3.5Å; A200-H202 PolarHBondContact O-N 3.28Å
201V48.2Very low44.5Very low118 Ų118140.8 Ų140.872%0.71576%0.756SS**  trans-82.798.3161.6-177.10000106.6P199 N203P199-V201 PolarHBondContact O-N 3.31Å; P199-V201 VanDerWaalsContact O-N 3.11Å; V201-N203 PolarHBondContact O-N 3.12Å; V201-N203 VanDerWaalsContact O-N 3.11Å
202H39.7Very low44.3Very low132 Ų132139.2 Ų139.261%0.61176%0.755SS**  trans-69.993.7175.1179.872.3000110A200 Q204A200-H202 PolarHBondContact O-N 3.28Å; H202-Q204 VanDerWaalsContact CE1-CG 3.44Å; H202-Q204 WeakPolarHBondContact CE1-CG 3.25Å; H202-Q204 PolarHBondContact CE1-NE2 3.33Å; H202-Q204 VanDerWaalsContact NE2-CG 3.25Å; H202-Q204 WeakPolarHBondContact NE2-CG 3.44Å; H202-Q204 PolarHBondContact NE2-NE2 3.29Å; H202-Q204 VanDerWaalsContact NE2-NE2 3.12Å; H202-Q204 PolarHBondContact NE2-OE1 2.72Å; H202-Q204 PolarHBondContact O-N 2.98Å
203N41.8Very low44Very low151 Ų151140.3 Ų140.381%0.80776%0.757SS**  trans-84.686.5165.7-80.9-40.7000108.8V201 A205V201-N203 PolarHBondContact O-N 3.12Å; V201-N203 VanDerWaalsContact O-N 3.11Å; N203-A205 PolarHBondContact O-N 3.08Å
204Q44.9Very low44.3Very low137 Ų137137.4 Ų137.464%0.6475%0.752SS**  trans-76.9105.1161.4-106174.510.800108.6H202 I206H202-Q204 VanDerWaalsContact CE1-CG 3.44Å; H202-Q204 WeakPolarHBondContact CE1-CG 3.25Å; H202-Q204 PolarHBondContact CE1-NE2 3.33Å; H202-Q204 VanDerWaalsContact NE2-CG 3.25Å; H202-Q204 WeakPolarHBondContact NE2-CG 3.44Å; H202-Q204 PolarHBondContact NE2-NE2 3.29Å; H202-Q204 VanDerWaalsContact NE2-NE2 3.12Å; H202-Q204 PolarHBondContact NE2-OE1 2.72Å; H202-Q204 PolarHBondContact O-N 2.98Å; Q204-I206 PolarHBondContact O-N 3.2Å
205A38.6Very low44.6Very low99 Ų99134.9 Ų134.982%0.81875%0.751SS**  trans-59.798.8163.900000108.9N203 K207N203-A205 PolarHBondContact O-N 3.08Å; A205-K207 PolarHBondContact O-N 3.21Å
206I46.4Very low44.7Very low106 Ų106137 Ų13754%0.54476%0.757SS.*  trans-83.892.1167.8-63176.6000107.2Q204 R208Q204-I206 PolarHBondContact O-N 3.2Å; I206-R208 HydrophobicContact CG2-CB 4.45Å; I206-R208 HydrophobicContact CG2-CG 3.65Å; I206-R208 PolarHBondContact O-N 3.22Å
207K40.4Very low44.8Very low189 Ų189135.8 Ų135.882%0.82276%0.76SS**  trans-70.898.3161.7-171.6173.7-179.7-177.10107.2A205A205-K207 PolarHBondContact O-N 3.21Å
208R48.2Very low45.2Very low184 Ų184131.6 Ų131.669%0.69476%0.761SS**  trans-104.2102.8166.1-85.2175.1-170.5124.91.5108.1I206 I210I206-R208 HydrophobicContact CG2-CB 4.45Å; I206-R208 HydrophobicContact CG2-CG 3.65Å; I206-R208 PolarHBondContact O-N 3.22Å; R208-I210 HydrophobicContact CB-CD1 4.33Å; R208-I210 HydrophobicContact CB-CG1 4.43Å; R208-I210 PolarHBondContact O-N 3.32Å
209D39.1Very low44.8Very low151 Ų151134.7 Ų134.781%0.80777%0.768SS**  trans-59111.4151.9-91.7-54.3000108.1
210I48.5Very low45.1Very low146 Ų146134.9 Ų134.975%0.74977%0.766SS**  trans-138.3100.1161.9-61.7167.9000102.3R208R208-I210 HydrophobicContact CB-CD1 4.33Å; R208-I210 HydrophobicContact CB-CG1 4.43Å; R208-I210 PolarHBondContact O-N 3.32Å
211G39.8Very low45.7Very low64 Ų64138.7 Ų138.766%0.6677%0.773SS**  90.49258.300000106.5
212T36.7Very low45.7Very low142 Ų142138.9 Ų138.987%0.87178%0.779SS**SBendtrans-48.5149.6175.748.60000113.2
213A38.8Very low46.3Very low93 Ų93137.2 Ų137.277%0.76978%0.782SS**  trans81.591.2165.500000117
214V47.6Very low46.2Very low133 Ų133137.2 Ų137.281%0.80678%0.783SS**  trans-154.887.4135.3-164.90000108.1
215E47.8Very low46.7Very low192 Ų192136.7 Ų136.790%0.89779%0.794SS**  trans-76.5152.3145.9-59.8-159.7147.400106.6
216D49.2Very low47.1Very low161 Ų161136.6 Ų136.686%0.86179%0.787SS**  trans81.487.1-168-80.6-17.1000116.9
217A49.8Very low47.7Very low96 Ų96137.6 Ų137.679%0.79380%0.804SS**  trans-175.548.6148.400000113.7
218V54.8Low48Very low149 Ų149134.5 Ų134.590%0.90381%0.806SS**  trans-101.5-7.2175.6164.70000113.7
219E49.2Very low48.6Very low174 Ų174131 Ų13181%0.81381%0.81SS**SBendtrans-98.9150.1178.2-63.3-91.3148.600109
220V56Low49.5Very low120 Ų120128.5 Ų128.573%0.72780%0.804SS**  trans86.160.5173-147.80000117.1
221L54.4Low50.3Low175 Ų175127.2 Ų127.292%0.91681%0.808SS**  trans-127.159.8159.6-72.7172.1000110.8
222S48Very low51.7Low122 Ų122131.8 Ų131.885%0.85382%0.817SS**  trans-158.665.9169.2-65.30000110
223S51.9Low52.5Low97 Ų97130.2 Ų130.268%0.67881%0.812SS**  trans-121.5112.7170.3-63.80000109.8
224D41.1Very low53.6Low152 Ų152131.4 Ų131.481%0.81381%0.812SS**  trans34.8112.5142.3-94.2-32.4000117.9
225S54.7Low54.1Low126 Ų126134.7 Ų134.788%0.88184%0.841SS**  trans-117.691.9153.4-69.80000108.7
226S46.7Very low54.5Low97 Ų97131.9 Ų131.968%0.67884%0.838SS**  trans-59.5140.2158.6-54.10000110.4
227S60.1Low54.7Low126 Ų126130.3 Ų130.388%0.88184%0.837SS**  trans-165120.8145.3-81.40000111.6
228S45.1Very low55Low124 Ų124132.2 Ų132.287%0.86784%0.839SS**  trans-75.7148.3177-46.40000113
229S60.8Low55Low111 Ų111131.2 Ų131.278%0.77684%0.836SS**  trans-172.199.8156.2-1500000109.1
230S58.3Low55.4Low98 Ų98128.6 Ų128.669%0.68584%0.837SS**  82.3135.989700000116
231S65.7Low55.3Low120 Ų120129.1 Ų129.184%0.83984%0.844SS**  trans92140.8168.3-56.80000116.6
232D69.1Low55.4Low160 Ų160125.9 Ų125.986%0.85684%0.839SS**  cis-171150-17.6-148.8-13.2000105.3
233S54.4Low56Low108 Ų108126.2 Ų126.276%0.75584%0.838SS**  trans-79.9156.7-177.8-61.90000112.7
234P61.7Low56.3Low118 Ų118128.6 Ų128.677%0.76685%0.851SS**  -155147.695.937.1-18000116.8
235S58.2Low57.7Low203 Ų203126.5 Ų126.5100%1.4286%0.855SS**  trans179.60137.8-75.80000110.3

Retrieved 235 of 235 residues in 69.2 ms (Link to these results)