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Phytanoyl-CoA dioxygenase domain-containing protein 1

2-oxoglutarate(2OG)-dependent dioxygenase that catalyzes the conversion of 2-oxoglutarate to succinate and CO(2) in an iron-dependent manner. However, does not couple 2OG turnover to the hydroxylation of acyl-coenzyme A derivatives, implying that it is not directly involved in phytanoyl coenzyme-A metabolism. Does not show detectable activity towards fatty acid CoA thioesters.

AlphaFold DB , UniProt , Accession X6RJK6, Species HUMAN (Homo sapiens, Human), Gene PHYHD1, Length 177 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low86.8Confident246 Ų24684.8 Ų84.8100%1.21247%0.472SS*.  0116.70-65.6178.2-159.900106.9
2A59.8Low87.6Confident29 Ų2982.2 Ų82.224%0.2445%0.452CS..  trans-10922.7-168.100000113.9K122 T125A2-K122 HydrophobicContact CB-CB 4.02Å; A2-T125 HydrophobicContact CB-CG2 4.02Å; A2-T125 VanDerWaalsContact O-CB 3.32Å; A2-T125 WeakPolarHBondContact O-CB 3.39Å; A2-T125 WeakPolarHBondContact O-CG2 3.46Å
3C81.6Confident88.1Confident90 Ų9087.8 Ų87.861%0.60847%0.473SS*.SBendtrans-101.1133.5174.4-168.50000108.8S129C3-S129 PolarHBondContact SG-OG 2.81Å
4L93.8Very high88.8Confident13 Ų1391.2 Ų91.27%0.06849%0.485CS..PPolyproline II helixtrans-64140.8175.7-65.1-179.1000110.7Q8 L9 L18 L20 L126 L130L4-Q8 HydrophobicContact CB-CB 4.21Å; L4-Q8 HydrophobicContact CD2-CB 4.34Å; L4-L9 HydrophobicContact CB-CD2 3.88Å; L4-L9 HydrophobicContact CB-CG 3.84Å; L4-L9 HydrophobicContact CD1-CD2 3.69Å; L4-L9 HydrophobicContact CD1-CG 4.43Å; L4-L9 HydrophobicContact CG-CD2 4.41Å; L4-L18 HydrophobicContact CD1-CD2 4Å; L4-L18 HydrophobicContact CD2-CD2 3.76Å; L4-L20 HydrophobicContact CD2-CD1 4.09Å; L4-L20 HydrophobicContact CD2-CD2 3.86Å; L4-L126 HydrophobicContact CD1-CD1 3.73Å; L4-L126 HydrophobicContact CD2-CD1 3.74Å; L4-L126 HydrophobicContact CG-CD1 3.79Å; L4-L130 HydrophobicContact CD1-CD2 3.53Å; L4-L130 HydrophobicContact CD1-CG 3.86Å
5S94.6Very high89.4Confident40 Ų4090.4 Ų90.428%0.2848%0.48SS..PPolyproline II helixtrans-67.5158.6171.4750000111S7 Q8 L9S5-S7 PolarHBondContact O-N 2.79Å; S5-S7 PolarHBondContact OG-OG 3.32Å; S5-Q8 PolarHBondContact O-N 3.49Å; S5-Q8 VanDerWaalsContact O-N 3.09Å; S5-Q8 WeakPolarHBondContact OG-CB 3.37Å; S5-Q8 WeakPolarHBondContact OG-CG 3.45Å; S5-Q8 PolarHBondContact OG-N 3.22Å; S5-Q8 VanDerWaalsContact OG-N 3.09Å; S5-Q8 PolarHBondContact OG-OE1 3.41Å; S5-L9 WeakPolarHBondContact O-CG 3.48Å; S5-L9 PolarHBondContact O-N 3.07Å
6P95.3Very high89.7Confident110 Ų11088.4 Ų88.471%0.71449%0.488SS*.Hα-helixtrans-54.5-36.8173.2-27.835.9000113.4L9 Q10P6-L9 PolarHBondContact O-N 3.27Å; P6-Q10 WeakPolarHBondContact O-CB 3.45Å; P6-Q10 PolarHBondContact O-N 3.25Å
7S96.4Very high90.1Very high80 Ų8090.2 Ų90.256%0.55949%0.49SS*.Hα-helixtrans-69.5-38177.155.10000112.9S5 Q10 K11S5-S7 PolarHBondContact O-N 2.79Å; S5-S7 PolarHBondContact OG-OG 3.32Å; S7-Q10 PolarHBondContact O-N 3.04Å; S7-K11 WeakPolarHBondContact O-CB 3.35Å; S7-K11 PolarHBondContact O-N 2.85Å
8Q96.7Very high90.5Very high64 Ų6487.3 Ų87.330%0.29947%0.474SS..Hα-helixtrans-65.9-41.1174.2-77.3175.2-39.500111.7L4 S5 K11 F12 L18L4-Q8 HydrophobicContact CB-CB 4.21Å; L4-Q8 HydrophobicContact CD2-CB 4.34Å; S5-Q8 PolarHBondContact O-N 3.49Å; S5-Q8 VanDerWaalsContact O-N 3.09Å; S5-Q8 WeakPolarHBondContact OG-CB 3.37Å; S5-Q8 WeakPolarHBondContact OG-CG 3.45Å; S5-Q8 PolarHBondContact OG-N 3.22Å; S5-Q8 VanDerWaalsContact OG-N 3.09Å; S5-Q8 PolarHBondContact OG-OE1 3.41Å; Q8-K11 PolarHBondContact O-N 2.97Å; Q8-F12 PolarHBondContact O-N 3.1Å; Q8-L18 HydrophobicContact CB-CD1 4.3Å; Q8-L18 HydrophobicContact CB-CD2 3.87Å; Q8-L18 HydrophobicContact CG-CD1 4.34Å; Q8-L18 HydrophobicContact CG-CD2 4.34Å
9L96.1Very high90.8Very high47 Ų4788.1 Ų88.125%0.24648%0.482CS..Hα-helixtrans-62.6-45.7174.9-71.3171.4000111.7L4 S5 P6 K11 F12 Q13 S129 L130L4-L9 HydrophobicContact CB-CD2 3.88Å; L4-L9 HydrophobicContact CB-CG 3.84Å; L4-L9 HydrophobicContact CD1-CD2 3.69Å; L4-L9 HydrophobicContact CD1-CG 4.43Å; L4-L9 HydrophobicContact CG-CD2 4.41Å; S5-L9 WeakPolarHBondContact O-CG 3.48Å; S5-L9 PolarHBondContact O-N 3.07Å; P6-L9 PolarHBondContact O-N 3.27Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.37Å; L9-F12 PolarHBondContact O-N 3.13Å; L9-Q13 VanDerWaalsContact O-CG 3.31Å; L9-Q13 WeakPolarHBondContact O-CG 3.41Å; L9-Q13 PolarHBondContact O-N 3.41Å; L9-S129 VanDerWaalsContact CD2-O 3.28Å; L9-S129 WeakPolarHBondContact CD2-O 3.43Å; L9-L130 HydrophobicContact CD2-CD2 4.15Å
10Q96.6Very high91.1Very high108 Ų10886.2 Ų86.251%0.50547%0.47SS..Hα-helixtrans-60.7-43.7176.7-175.7175.630.800111.4P6 S7 Q13 Q14P6-Q10 WeakPolarHBondContact O-CB 3.45Å; P6-Q10 PolarHBondContact O-N 3.25Å; S7-Q10 PolarHBondContact O-N 3.04Å; Q10-Q13 PolarHBondContact O-N 2.98Å; Q10-Q14 HydrophobicContact CG-CG 4.48Å; Q10-Q14 WeakPolarHBondContact O-CG 3.33Å; Q10-Q14 PolarHBondContact O-N 3.16Å
11K97.3Very high91.3Very high106 Ų10690.8 Ų90.846%0.46149%0.489SS..Hα-helixtrans-61.1-46.5176.9-174.4165.8-176.1164.60111.9S7 Q8 L9 Q13 Q14 D15 L18S7-K11 WeakPolarHBondContact O-CB 3.35Å; S7-K11 PolarHBondContact O-N 2.85Å; Q8-K11 PolarHBondContact O-N 2.97Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 3.37Å; K11-Q13 VanDerWaalsContact C-N 3.3Å; K11-Q13 PolarHBondContact O-N 3.26Å; K11-Q14 PolarHBondContact O-N 3.47Å; K11-D15 WeakPolarHBondContact CE-OD2 3.24Å; K11-D15 VanDerWaalsContact CG-OD2 3.26Å; K11-D15 WeakPolarHBondContact CG-OD2 3.05Å; K11-D15 WeakPolarHBondContact O-CB 3.4Å; K11-D15 PolarHBondContact O-N 2.73Å; K11-L18 HydrophobicContact CB-CD1 4.43Å; K11-L18 HydrophobicContact CD-CD1 4.36Å; K11-L18 HydrophobicContact CG-CD1 4.45Å
12F96.6Very high93.6Very high53 Ų5382.7 Ų82.723%0.23247%0.468CS..Hα-helixtrans-58.3-42.5176.1-177.7-94.9000112.2Q8 L9 G16 L18 L130 L171Q8-F12 PolarHBondContact O-N 3.1Å; L9-F12 PolarHBondContact O-N 3.13Å; F12-G16 VanDerWaalsContact O-CA 3.3Å; F12-G16 WeakPolarHBondContact O-CA 3.27Å; F12-G16 PolarHBondContact O-N 3.37Å; F12-L18 HydrophobicContact CB-CB 4.14Å; F12-L18 HydrophobicContact CD2-CB 3.82Å; F12-L18 HydrophobicContact CG-CB 4.47Å; F12-L130 HydrophobicContact CB-CD2 4.38Å; F12-L130 HydrophobicContact CD1-CD2 3.56Å; F12-L130 HydrophobicContact CD2-CD2 4.25Å; F12-L130 HydrophobicContact CE1-CD2 3.84Å; F12-L130 HydrophobicContact CE2-CD2 4.5Å; F12-L130 HydrophobicContact CG-CD2 3.79Å; F12-L130 HydrophobicContact CZ-CD2 4.31Å; F12-L171 HydrophobicContact CE2-CD1 4Å; F12-L171 HydrophobicContact CZ-CD1 3.52Å
13Q94.8Very high95.3Very high156 Ų15684 Ų8473%0.72947%0.468SS*.Hα-helixtrans-67.2-34.6178.8-72171.9-000113.3L9 Q10 K11L9-Q13 VanDerWaalsContact O-CG 3.31Å; L9-Q13 WeakPolarHBondContact O-CG 3.41Å; L9-Q13 PolarHBondContact O-N 3.41Å; Q10-Q13 PolarHBondContact O-N 2.98Å; K11-Q13 VanDerWaalsContact C-N 3.3Å; K11-Q13 PolarHBondContact O-N 3.26Å
14Q97.2Very high96Very high135 Ų13580.6 Ų80.663%0.63144%0.444SS*.Hα-helixtrans-80-44.6-179.4-72.9174.8-13.100112.2Q10 K11Q10-Q14 HydrophobicContact CG-CG 4.48Å; Q10-Q14 WeakPolarHBondContact O-CG 3.33Å; Q10-Q14 PolarHBondContact O-N 3.16Å; K11-Q14 PolarHBondContact O-N 3.47Å
15D97.3Very high96.2Very high79 Ų7982.1 Ų82.142%0.42246%0.456SS..Hα-helixtrans-94-18.4-170.4-62.4-11.6000112.4K11 F17K11-D15 WeakPolarHBondContact CE-OD2 3.24Å; K11-D15 VanDerWaalsContact CG-OD2 3.26Å; K11-D15 WeakPolarHBondContact CG-OD2 3.05Å; K11-D15 WeakPolarHBondContact O-CB 3.4Å; K11-D15 PolarHBondContact O-N 2.73Å; D15-F17 HydrophobicContact CB-CD1 4Å; D15-F17 HydrophobicContact CB-CE1 3.92Å; D15-F17 WeakPolarHBondContact O-CD1 3.39Å; D15-F17 PolarHBondContact O-N 2.78Å
16G94.6Very high96.3Very high58 Ų5883.4 Ų83.460%0.59847%0.469SS*.SBendtrans781.3-17400000114.3F12F12-G16 VanDerWaalsContact O-CA 3.3Å; F12-G16 WeakPolarHBondContact O-CA 3.27Å; F12-G16 PolarHBondContact O-N 3.37Å
17F96.4Very high96.4Very high119 Ų11984.8 Ų84.852%0.52247%0.466SS..  trans-150.2164.9175.574.6-82.9000111.7D15 V19D15-F17 HydrophobicContact CB-CD1 4Å; D15-F17 HydrophobicContact CB-CE1 3.92Å; D15-F17 WeakPolarHBondContact O-CD1 3.39Å; D15-F17 PolarHBondContact O-N 2.78Å; F17-V19 HydrophobicContact CD2-CG2 4.36Å; F17-V19 HydrophobicContact CE2-CG2 4.24Å
18L97.1Very high96.5Very high39 Ų3983.4 Ų83.420%0.20445%0.451CS..  trans-147135.3175.2-179.968.4000110L4 Q8 K11 F12 L20L4-L18 HydrophobicContact CD1-CD2 4Å; L4-L18 HydrophobicContact CD2-CD2 3.76Å; Q8-L18 HydrophobicContact CB-CD1 4.3Å; Q8-L18 HydrophobicContact CB-CD2 3.87Å; Q8-L18 HydrophobicContact CG-CD1 4.34Å; Q8-L18 HydrophobicContact CG-CD2 4.34Å; K11-L18 HydrophobicContact CB-CD1 4.43Å; K11-L18 HydrophobicContact CD-CD1 4.36Å; K11-L18 HydrophobicContact CG-CD1 4.45Å; F12-L18 HydrophobicContact CB-CB 4.14Å; F12-L18 HydrophobicContact CD2-CB 3.82Å; F12-L18 HydrophobicContact CG-CB 4.47Å; L18-L20 HydrophobicContact CD2-CD2 3.77Å; L18-L20 HydrophobicContact CD2-CG 4.27Å; L18-L20 HydrophobicContact CG-CD2 4.1Å; L18-L20 HydrophobicContact CG-CG 4.39Å
19V97.1Very high96.6Very high102 Ų10281.6 Ų81.662%0.61845%0.445SS*.  trans-96.8128.7173.4-178.50000109.2F17 E21F17-V19 HydrophobicContact CD2-CG2 4.36Å; F17-V19 HydrophobicContact CE2-CG2 4.24Å; V19-E21 HydrophobicContact CG1-CG 4.36Å
20L96.1Very high96.7Very high49 Ų4982.2 Ų82.226%0.25745%0.451SS..  trans-118.997.5176.9-62.8177.1000109.4L4 L18 F23 L126L4-L20 HydrophobicContact CD2-CD1 4.09Å; L4-L20 HydrophobicContact CD2-CD2 3.86Å; L18-L20 HydrophobicContact CD2-CD2 3.77Å; L18-L20 HydrophobicContact CD2-CG 4.27Å; L18-L20 HydrophobicContact CG-CD2 4.1Å; L18-L20 HydrophobicContact CG-CG 4.39Å; L20-F23 HydrophobicContact CB-CB 4.04Å; L20-F23 HydrophobicContact CB-CD2 4.45Å; L20-F23 HydrophobicContact CD1-CD2 3.98Å; L20-F23 HydrophobicContact CD1-CE2 4.36Å; L20-L126 HydrophobicContact CD1-CD1 3.81Å; L20-L126 HydrophobicContact CD1-CD2 3.99Å
21E95.8Very high96.8Very high184 Ų18478.8 Ų78.886%0.8644%0.441SS*.THydrogen-bonded Turntrans-70139.5177.4-62.5-178168.300111V19 F23V19-E21 HydrophobicContact CG1-CG 4.36Å; E21-F23 PolarHBondContact O-N 3.47Å
22G94.8Very high96.8Very high76 Ų7674.1 Ų74.178%0.78442%0.421SS*.THydrogen-bonded Turntrans63.223.2178.300000114.5L24G22-L24 CarbonylContact C-O 3.22Å
23F95.9Very high96.9Very high55 Ų5575.6 Ų75.624%0.24143%0.428CS..SBendtrans-65.9-39.8178.9-177.4-98.4000112.5L20 E21 K122 V123 L126L20-F23 HydrophobicContact CB-CB 4.04Å; L20-F23 HydrophobicContact CB-CD2 4.45Å; L20-F23 HydrophobicContact CD1-CD2 3.98Å; L20-F23 HydrophobicContact CD1-CE2 4.36Å; E21-F23 PolarHBondContact O-N 3.47Å; F23-K122 HydrophobicContact CE1-CD 4.13Å; F23-K122 HydrophobicContact CE1-CG 4.17Å; F23-K122 HydrophobicContact CE2-CB 4.2Å; F23-K122 HydrophobicContact CZ-CB 3.9Å; F23-K122 HydrophobicContact CZ-CD 4.13Å; F23-K122 HydrophobicContact CZ-CG 3.88Å; F23-K122 PolarHBondContact O-NZ 3.14Å; F23-V123 HydrophobicContact CE1-CG2 3.82Å; F23-V123 HydrophobicContact CZ-CG2 4.12Å; F23-L126 HydrophobicContact CE2-CB 4.45Å; F23-L126 HydrophobicContact CE2-CD2 4.19Å; F23-L126 HydrophobicContact CZ-CB 4.35Å; F23-L126 HydrophobicContact CZ-CD2 4.01Å
24L96.4Very high97.1Very high19 Ų1974 Ų7410%0.09942%0.421CS..SBendtrans-98.4146.5165.4-58-166.3000109.7G22 E28 M32 I117 K122 I175G22-L24 CarbonylContact C-O 3.22Å; L24-E28 VanDerWaalsContact CA-OE2 3.31Å; L24-E28 WeakPolarHBondContact CA-OE2 3.2Å; L24-E28 HydrophobicContact CB-CB 4.28Å; L24-M32 HydrophobicContact CD1-SD 3.95Å; L24-I117 HydrophobicContact CD1-CG2 4.02Å; L24-I117 HydrophobicContact CD2-CG2 4.12Å; L24-K122 HydrophobicContact CD2-CD 4.42Å; L24-K122 VanDerWaalsContact CD2-CE 3.42Å; L24-I175 HydrophobicContact CD1-CD1 4.25Å; L24-I175 HydrophobicContact CD1-CG2 3.42Å; L24-I175 VanDerWaalsContact CD1-CG2 3.42Å; L24-I175 HydrophobicContact CG-CG2 4.25Å
25S96.9Very high97.1Very high46 Ų4670.3 Ų70.332%0.32240%0.401SS..  trans-73.1160.1171.289.40000110.3E27 E28 C29S25-E27 WeakPolarHBondContact CB-OE2 3.48Å; S25-E27 PolarHBondContact O-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.06Å; S25-E27 PolarHBondContact OG-OE2 3.34Å; S25-E28 PolarHBondContact N-OE2 2.92Å; S25-E28 PolarHBondContact O-N 3.42Å; S25-E28 PolarHBondContact OG-N 3.17Å; S25-C29 PolarHBondContact O-N 2.68Å; S25-C29 VanDerWaalsContact O-N 3.09Å; S25-C29 PolarHBondContact O-SG 3.5Å
26A97.2Very high97.1Very high67 Ų6766.8 Ų66.855%0.55438%0.382SS*.Hα-helixtrans-58.8-37176.600000111.3C29 V30A26-C29 PolarHBondContact O-N 3.15Å; A26-V30 WeakPolarHBondContact O-CB 3.43Å; A26-V30 VanDerWaalsContact O-CG2 3.28Å; A26-V30 WeakPolarHBondContact O-CG2 3.24Å; A26-V30 PolarHBondContact O-N 3Å
27E98.1Very high97.3Very high138 Ų13866 Ų6665%0.64537%0.374SS*.Hα-helixtrans-66.5-39.8178.8-56.972.8-158.100111.8S25 V30 A31S25-E27 WeakPolarHBondContact CB-OE2 3.48Å; S25-E27 PolarHBondContact O-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.06Å; S25-E27 PolarHBondContact OG-OE2 3.34Å; E27-V30 PolarHBondContact O-N 3.03Å; E27-A31 VanDerWaalsContact O-CB 3.29Å; E27-A31 WeakPolarHBondContact O-CB 3.38Å; E27-A31 PolarHBondContact O-N 2.95Å
28E98Very high97.3Very high51 Ų5164.8 Ų64.824%0.23837%0.37CS..Hα-helixtrans-65.2-42.5174.9-70.6170.1130.300111.4L24 S25 A31 M32 I117 K122L24-E28 VanDerWaalsContact CA-OE2 3.31Å; L24-E28 WeakPolarHBondContact CA-OE2 3.2Å; L24-E28 HydrophobicContact CB-CB 4.28Å; S25-E28 PolarHBondContact N-OE2 2.92Å; S25-E28 PolarHBondContact O-N 3.42Å; S25-E28 PolarHBondContact OG-N 3.17Å; E28-A31 PolarHBondContact O-N 2.89Å; E28-M32 WeakPolarHBondContact O-CG 3.48Å; E28-M32 PolarHBondContact O-N 3.36Å; E28-I117 HydrophobicContact CB-CD1 4.3Å; E28-K122 VanDerWaalsContact OE1-CE 3.31Å; E28-K122 WeakPolarHBondContact OE1-CE 3.23Å; E28-K122 IonicContact OE1-NZ 2.78Å; E28-K122 PolarHBondContact OE1-NZ 2.99Å; E28-K122 IonicContact OE2-NZ 2.57Å; E28-K122 PolarHBondContact OE2-NZ 2.81Å
29C98.1Very high97.3Very high26 Ų2663.6 Ų63.618%0.17636%0.363CS..Hα-helixtrans-62.5-47.3175.8-64.90000111.4S25 A26 A31 M32 Q33 V177S25-C29 PolarHBondContact O-N 2.68Å; S25-C29 VanDerWaalsContact O-N 3.09Å; S25-C29 PolarHBondContact O-SG 3.5Å; A26-C29 PolarHBondContact O-N 3.15Å; C29-A31 VanDerWaalsContact C-N 3.31Å; C29-A31 PolarHBondContact O-N 3.06Å; C29-M32 WeakPolarHBondContact O-CB 3.45Å; C29-M32 PolarHBondContact O-N 3.49Å; C29-Q33 WeakPolarHBondContact O-CG 3.01Å; C29-Q33 PolarHBondContact O-N 3.46Å; C29-V177 HydrophobicContact CB-CG1 3.96Å
30V98.3Very high97.3Very high61 Ų6159.6 Ų59.637%0.3734%0.339SS..Hα-helixtrans-61.1-40.9177.3168.30000111.2A26 E27 M32 Q33 Q34A26-V30 WeakPolarHBondContact O-CB 3.43Å; A26-V30 VanDerWaalsContact O-CG2 3.28Å; A26-V30 WeakPolarHBondContact O-CG2 3.24Å; A26-V30 PolarHBondContact O-N 3Å; E27-V30 PolarHBondContact O-N 3.03Å; V30-M32 VanDerWaalsContact C-N 3.34Å; V30-M32 PolarHBondContact O-N 3.35Å; V30-Q33 PolarHBondContact O-N 2.89Å; V30-Q34 HydrophobicContact CG1-CG 4.16Å; V30-Q34 WeakPolarHBondContact O-CB 3.36Å; V30-Q34 VanDerWaalsContact O-CG 3.29Å; V30-Q34 WeakPolarHBondContact O-CG 3.4Å; V30-Q34 PolarHBondContact O-N 3.43Å
31A98.4Very high97.2Very high35 Ų3561.5 Ų61.529%0.28936%0.362SS..Hα-helixtrans-61.7-40.8176.500000112.1E27 E28 C29 R35 V113E27-A31 VanDerWaalsContact O-CB 3.29Å; E27-A31 WeakPolarHBondContact O-CB 3.38Å; E27-A31 PolarHBondContact O-N 2.95Å; E28-A31 PolarHBondContact O-N 2.89Å; C29-A31 VanDerWaalsContact C-N 3.31Å; C29-A31 PolarHBondContact O-N 3.06Å; A31-R35 VanDerWaalsContact O-CB 3.24Å; A31-R35 WeakPolarHBondContact O-CB 3.2Å; A31-R35 PolarHBondContact O-N 3.45Å; A31-V113 HydrophobicContact CB-CG1 4.23Å
32M98.4Very high97.1Very high9 Ų959.7 Ų59.74%0.04435%0.354CS..Hα-helixtrans-63.7-46174.6-69175.272.500111.9L24 E28 C29 V30 R35 I36 V113 F114 I117 I175 V177L24-M32 HydrophobicContact CD1-SD 3.95Å; E28-M32 WeakPolarHBondContact O-CG 3.48Å; E28-M32 PolarHBondContact O-N 3.36Å; C29-M32 WeakPolarHBondContact O-CB 3.45Å; C29-M32 PolarHBondContact O-N 3.49Å; V30-M32 VanDerWaalsContact C-N 3.34Å; V30-M32 PolarHBondContact O-N 3.35Å; M32-R35 PolarHBondContact O-N 3.14Å; M32-I36 WeakPolarHBondContact O-CG1 3.49Å; M32-I36 PolarHBondContact O-N 3.42Å; M32-V113 HydrophobicContact CG-CG1 4.25Å; M32-F114 HydrophobicContact CB-CZ 4.29Å; M32-F114 HydrophobicContact CE-CD1 3.82Å; M32-F114 HydrophobicContact CE-CE1 3.37Å; M32-F114 HydrophobicContact CE-CZ 4.19Å; M32-F114 HydrophobicContact CG-CE1 4.45Å; M32-I117 HydrophobicContact CG-CD1 3.29Å; M32-I117 HydrophobicContact SD-CD1 3.41Å; M32-I117 WeakPolarHBondContact SD-CD1 3.33Å; M32-I117 HydrophobicContact SD-CG2 4.33Å; M32-I175 HydrophobicContact CE-CD1 4.41Å; M32-V177 HydrophobicContact CB-CG1 4.37Å; M32-V177 HydrophobicContact CE-CG1 4.31Å; M32-V177 HydrophobicContact SD-CG1 3.93Å
33Q98.1Very high97Very high83 Ų8357.7 Ų57.739%0.38832%0.324SS..Hα-helixtrans-61.3-48.5178.8-69.6174-37.900111.5C29 V30 R35 I36 G37 V177C29-Q33 WeakPolarHBondContact O-CG 3.01Å; C29-Q33 PolarHBondContact O-N 3.46Å; V30-Q33 PolarHBondContact O-N 2.89Å; Q33-R35 VanDerWaalsContact C-N 3.34Å; Q33-R35 PolarHBondContact O-N 3.24Å; Q33-I36 PolarHBondContact O-N 3.39Å; Q33-G37 PolarHBondContact O-N 2.96Å; Q33-V177 HydrophobicContact CG-CB 4.26Å; Q33-V177 PolarHBondContact NE2-OXT 3.26Å
34Q98.3Very high96.5Very high124 Ų12461.8 Ų61.858%0.57935%0.349SS*.Hα-helixtrans-59.8-46.2177.8-74.9176.4-9.800110.8V30 I36 G37 E38V30-Q34 HydrophobicContact CG1-CG 4.16Å; V30-Q34 WeakPolarHBondContact O-CB 3.36Å; V30-Q34 VanDerWaalsContact O-CG 3.29Å; V30-Q34 WeakPolarHBondContact O-CG 3.4Å; V30-Q34 PolarHBondContact O-N 3.43Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 3.08Å; Q34-G37 WeakPolarHBondContact O-CA 3.32Å; Q34-G37 PolarHBondContact O-N 3.06Å; Q34-E38 PolarHBondContact O-N 3.45Å
35R98.3Very high95.9Very high57 Ų5761.3 Ų61.322%0.21535%0.346CS..Hα-helixtrans-63-37.2-179.3-174.557.3-173.214711.6112.6A31 M32 Q33 E38 I39 D111 V113 F114A31-R35 VanDerWaalsContact O-CB 3.24Å; A31-R35 WeakPolarHBondContact O-CB 3.2Å; A31-R35 PolarHBondContact O-N 3.45Å; M32-R35 PolarHBondContact O-N 3.14Å; Q33-R35 VanDerWaalsContact C-N 3.34Å; Q33-R35 PolarHBondContact O-N 3.24Å; R35-E38 VanDerWaalsContact CD-OE2 3.29Å; R35-E38 WeakPolarHBondContact CD-OE2 3.34Å; R35-E38 IonicContact CZ-OE2 3.41Å; R35-E38 IonicContact NE-OE2 2.81Å; R35-E38 IonicContact NH1-OE2 3.49Å; R35-E38 PolarHBondContact NH1-OE2 3.41Å; R35-E38 PolarHBondContact O-N 3.22Å; R35-I39 HydrophobicContact CG-CD1 4.11Å; R35-I39 VanDerWaalsContact O-CG1 3.31Å; R35-I39 WeakPolarHBondContact O-CG1 3.45Å; R35-I39 PolarHBondContact O-N 2.85Å; R35-D111 IonicContact CZ-OD2 3.73Å; R35-D111 IonicContact NE-OD1 3.42Å; R35-D111 IonicContact NE-OD2 3.92Å; R35-D111 PolarHBondContact NE-OD2 3.18Å; R35-D111 IonicContact NH2-OD2 2.77Å; R35-D111 PolarHBondContact NH2-OD2 3.5Å; R35-V113 HydrophobicContact CB-CB 4.24Å; R35-V113 HydrophobicContact CB-CG1 4.43Å; R35-V113 HydrophobicContact CB-CG2 4.06Å; R35-V113 HydrophobicContact CG-CB 4.09Å; R35-V113 HydrophobicContact CG-CG2 3.92Å; R35-F114 HydrophobicContact CG-CE2 4.41Å
36I97.8Very high95.2Very high5 Ų561.9 Ų61.93%0.02635%0.349CS..Hα-helixtrans-67.2-39.1173.3-70.3-68.6000111.6M32 Q33 Q34 E38 I39 V40 I103 L107 F114 Y142 F144M32-I36 WeakPolarHBondContact O-CG1 3.49Å; M32-I36 PolarHBondContact O-N 3.42Å; Q33-I36 PolarHBondContact O-N 3.39Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 3.08Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.01Å; I36-I39 HydrophobicContact CD1-CD1 4.3Å; I36-I39 PolarHBondContact O-N 3.04Å; I36-V40 HydrophobicContact CG2-CG2 4.12Å; I36-V40 WeakPolarHBondContact O-CB 3.28Å; I36-V40 VanDerWaalsContact O-CG2 3.23Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 2.87Å; I36-I103 HydrophobicContact CD1-CD1 4.04Å; I36-I103 HydrophobicContact CG2-CD1 4.35Å; I36-L107 HydrophobicContact CD1-CD1 4.33Å; I36-F114 HydrophobicContact CD1-CE2 3.66Å; I36-F114 HydrophobicContact CD1-CZ 3.52Å; I36-F114 HydrophobicContact CG1-CE2 3.81Å; I36-F114 HydrophobicContact CG1-CZ 3.49Å; I36-F114 VanDerWaalsContact CG1-CZ 3.49Å; I36-Y142 HydrophobicContact CB-CE1 4.49Å; I36-Y142 HydrophobicContact CB-CE2 4.34Å; I36-Y142 HydrophobicContact CD1-CD1 4.3Å; I36-Y142 HydrophobicContact CD1-CD2 3.81Å; I36-Y142 HydrophobicContact CD1-CE2 4.42Å; I36-Y142 HydrophobicContact CD1-CG 3.7Å; I36-Y142 HydrophobicContact CG1-CD1 4.2Å; I36-Y142 HydrophobicContact CG1-CD2 3.5Å; I36-Y142 HydrophobicContact CG1-CE1 4.34Å; I36-Y142 HydrophobicContact CG1-CE2 3.61Å; I36-Y142 HydrophobicContact CG1-CG 3.77Å; I36-Y142 HydrophobicContact CG2-CD1 3.99Å; I36-Y142 HydrophobicContact CG2-CE1 3.87Å; I36-Y142 HydrophobicContact CG2-CG 4.4Å; I36-F144 HydrophobicContact CG2-CE1 3.81Å; I36-F144 HydrophobicContact CG2-CZ 3.46Å; I36-F144 VanDerWaalsContact CG2-CZ 3.46Å
37G97.2Very high94.3Very high41 Ų4163.4 Ų63.442%0.42335%0.347SS..Hα-helixtrans-55.3-44.1172.700000112.5Q33 Q34 V40 A41Q33-G37 PolarHBondContact O-N 2.96Å; Q34-G37 WeakPolarHBondContact O-CA 3.32Å; Q34-G37 PolarHBondContact O-N 3.06Å; G37-V40 PolarHBondContact O-N 3.28Å; G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.48Å
38E97.7Very high93.3Very high94 Ų9464 Ų6444%0.43935%0.35SS..Hα-helixtrans-63.8-49.6175-65.5169.4-178.500112.1Q34 R35 I36 V40 A41 E42Q34-E38 PolarHBondContact O-N 3.45Å; R35-E38 VanDerWaalsContact CD-OE2 3.29Å; R35-E38 WeakPolarHBondContact CD-OE2 3.34Å; R35-E38 IonicContact CZ-OE2 3.41Å; R35-E38 IonicContact NE-OE2 2.81Å; R35-E38 IonicContact NH1-OE2 3.49Å; R35-E38 PolarHBondContact NH1-OE2 3.41Å; R35-E38 PolarHBondContact O-N 3.22Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.01Å; E38-V40 PolarHBondContact O-N 3.2Å; E38-A41 PolarHBondContact O-N 3.2Å; E38-A41 VanDerWaalsContact O-N 3.14Å; E38-E42 PolarHBondContact O-N 2.74Å
39I97.2Very high92.3Very high13 Ų1362.3 Ų62.37%0.06734%0.344CS..Hα-helixtrans-58.5-38.7178.9-70.2166000111.2R35 I36 M43 F79 I103 L107R35-I39 HydrophobicContact CG-CD1 4.11Å; R35-I39 VanDerWaalsContact O-CG1 3.31Å; R35-I39 WeakPolarHBondContact O-CG1 3.45Å; R35-I39 PolarHBondContact O-N 2.85Å; I36-I39 HydrophobicContact CD1-CD1 4.3Å; I36-I39 PolarHBondContact O-N 3.04Å; I39-M43 PolarHBondContact O-N 3.35Å; I39-F79 HydrophobicContact CG2-CE1 3.92Å; I39-F79 HydrophobicContact CG2-CZ 3.72Å; I39-I103 HydrophobicContact CG2-CD1 4.04Å; I39-L107 HydrophobicContact CD1-CD2 3.96Å
40V96.3Very high91.5Very high18 Ų1864.5 Ų64.511%0.10935%0.348CS..Hα-helixtrans-72.6-38.8177.8171.60000111.6I36 G37 E38 E42 M43 E97 I100 I103 F144I36-V40 HydrophobicContact CG2-CG2 4.12Å; I36-V40 WeakPolarHBondContact O-CB 3.28Å; I36-V40 VanDerWaalsContact O-CG2 3.23Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 2.87Å; G37-V40 PolarHBondContact O-N 3.28Å; E38-V40 PolarHBondContact O-N 3.2Å; V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 2.92Å; V40-M43 WeakPolarHBondContact O-CB 3.34Å; V40-M43 PolarHBondContact O-N 3.5Å; V40-M43 VanDerWaalsContact O-N 3.15Å; V40-E97 HydrophobicContact CG1-CB 3.47Å; V40-E97 VanDerWaalsContact CG1-CB 3.47Å; V40-I100 HydrophobicContact CB-CD1 4.29Å; V40-I100 HydrophobicContact CG1-CD1 3.73Å; V40-I100 HydrophobicContact CG2-CD1 3.68Å; V40-I103 HydrophobicContact CG2-CD1 3.96Å; V40-F144 HydrophobicContact CG2-CE1 4.35Å; V40-F144 HydrophobicContact CG2-CZ 3.89Å
41A94.8Very high90.2Very high89 Ų8961.8 Ų61.874%0.73633%0.332SS*.Hα-helixtrans-65.2-31.2176.600000112.6G37 E38 M43G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.48Å; E38-A41 PolarHBondContact O-N 3.2Å; E38-A41 VanDerWaalsContact O-N 3.14Å; A41-M43 VanDerWaalsContact C-N 3.33Å
42E93.4Very high89.1Confident147 Ų14763.5 Ų63.569%0.68733%0.334SS*.THydrogen-bonded Turntrans-905.6175.8-64.9177.7-179.400113.2E38 V40 D44E38-E42 PolarHBondContact O-N 2.74Å; V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 2.92Å; E42-D44 PolarHBondContact O-N 2.78Å; E42-D44 VanDerWaalsContact O-N 3.12Å
43M92.7Very high87.5Confident34 Ų3465.3 Ų65.317%0.16734%0.342CS..  trans-62.4115.6-176179.6179.76300111.5I39 V40 A41 V45 F79 F81 P96 I100I39-M43 PolarHBondContact O-N 3.35Å; V40-M43 WeakPolarHBondContact O-CB 3.34Å; V40-M43 PolarHBondContact O-N 3.5Å; V40-M43 VanDerWaalsContact O-N 3.15Å; A41-M43 VanDerWaalsContact C-N 3.33Å; M43-V45 HydrophobicContact CG-CG2 3.75Å; M43-V45 HydrophobicContact SD-CG2 4.2Å; M43-F79 HydrophobicContact CB-CD1 4.44Å; M43-F79 HydrophobicContact CB-CE1 3.89Å; M43-F79 HydrophobicContact CB-CE2 4.32Å; M43-F79 HydrophobicContact CB-CZ 3.82Å; M43-F79 HydrophobicContact CG-CD1 3.8Å; M43-F79 HydrophobicContact CG-CD2 3.91Å; M43-F79 HydrophobicContact CG-CE1 3.72Å; M43-F79 HydrophobicContact CG-CE2 3.85Å; M43-F79 HydrophobicContact CG-CG 3.89Å; M43-F79 HydrophobicContact CG-CZ 3.74Å; M43-F79 HydrophobicContact SD-CB 4.11Å; M43-F79 HydrophobicContact SD-CD1 3.44Å; M43-F79 WeakPolarHBondContact SD-CD1 3.29Å; M43-F79 HydrophobicContact SD-CD2 4.34Å; M43-F79 HydrophobicContact SD-CE1 3.85Å; M43-F79 HydrophobicContact SD-CG 3.71Å; M43-F79 HydrophobicContact SD-CZ 4.46Å; M43-F81 HydrophobicContact CE-CE1 4.02Å; M43-F81 HydrophobicContact CE-CZ 4.32Å; M43-F81 HydrophobicContact SD-CE1 3.77Å; M43-F81 HydrophobicContact SD-CZ 3.7Å; M43-P96 HydrophobicContact CE-CB 3.43Å; M43-P96 VanDerWaalsContact CE-CB 3.43Å; M43-I100 HydrophobicContact CE-CD1 4.01Å; M43-I100 HydrophobicContact CE-CG1 4.29Å; M43-I100 HydrophobicContact SD-CD1 3.64Å; M43-I100 HydrophobicContact SD-CG1 3.96Å
44D85.9Confident85.8Confident140 Ų14062.3 Ų62.375%0.74933%0.33SS*.  trans-123.6104.5168.5-174.617.9000110E42E42-D44 PolarHBondContact O-N 2.78Å; E42-D44 VanDerWaalsContact O-N 3.12Å
45V82.6Confident83.8Confident9 Ų959.3 Ų59.36%0.05532%0.32CS..  trans-116109.6179.7-173.70000109.4M43 C49 R50 F79 F81M43-V45 HydrophobicContact CG-CG2 3.75Å; M43-V45 HydrophobicContact SD-CG2 4.2Å; V45-C49 HydrophobicContact CG1-CB 3.62Å; V45-R50 HydrophobicContact CG1-CG 4.03Å; V45-R50 PolarHBondContact O-NE 2.57Å; V45-F79 HydrophobicContact CG2-CB 3.93Å; V45-F79 HydrophobicContact CG2-CD2 3.6Å; V45-F79 HydrophobicContact CG2-CE2 4.41Å; V45-F79 HydrophobicContact CG2-CG 3.99Å; V45-F81 HydrophobicContact CB-CE2 4.37Å; V45-F81 HydrophobicContact CB-CZ 4.29Å; V45-F81 HydrophobicContact CG1-CE2 4.16Å; V45-F81 HydrophobicContact CG2-CE2 4.27Å; V45-F81 HydrophobicContact CG2-CZ 4Å
46P82.4Confident82.2Confident58 Ų5862 Ų6238%0.37734%0.335SS..  trans-54.6149.4175.8-26.934.6000111.8H48 C49 R50P46-H48 VanDerWaalsContact CB-CE1 3.44Å; P46-H48 WeakPolarHBondContact CB-CE1 3.38Å; P46-H48 PolarHBondContact O-N 3.04Å; P46-H48 VanDerWaalsContact O-N 3.12Å; P46-C49 WeakPolarHBondContact O-CA 3.4Å; P46-C49 WeakPolarHBondContact O-CB 3.31Å; P46-C49 PolarHBondContact O-N 3.06Å; P46-R50 PolarHBondContact O-N 3.16Å
47L79.1Confident80.3Confident99 Ų9969 Ų6952%0.51837%0.368SS..G310 helixtrans-51.2-42.4-176.6-171.568000112.9C49 R50 G90L47-C49 PolarHBondContact O-N 3.32Å; L47-R50 WeakPolarHBondContact O-CB 3.36Å; L47-R50 PolarHBondContact O-N 2.61Å; L47-G90 VanDerWaalsContact CD1-O 3.23Å; L47-G90 WeakPolarHBondContact CD1-O 3.49Å
48H76.3Confident78.3Confident150 Ų15073.1 Ų73.169%0.69438%0.376SS*.G310 helixtrans-71.2-11.518066.9-89.9000114.4P46P46-H48 VanDerWaalsContact CB-CE1 3.44Å; P46-H48 WeakPolarHBondContact CB-CE1 3.38Å; P46-H48 PolarHBondContact O-N 3.04Å; P46-H48 VanDerWaalsContact O-N 3.12Å
49C78.3Confident76.6Confident17 Ų1771.8 Ų71.812%0.11537%0.37CS..G310 helixtrans-99.8-9.7177.6-69.50000112.8V45 P46 L47 T51 Y69V45-C49 HydrophobicContact CG1-CB 3.62Å; P46-C49 WeakPolarHBondContact O-CA 3.4Å; P46-C49 WeakPolarHBondContact O-CB 3.31Å; P46-C49 PolarHBondContact O-N 3.06Å; L47-C49 PolarHBondContact O-N 3.32Å; C49-T51 PolarHBondContact O-N 2.97Å; C49-T51 PolarHBondContact O-OG1 3.15Å; C49-T51 VanDerWaalsContact O-OG1 3.14Å; C49-Y69 HydrophobicContact CB-CD2 3.55Å; C49-Y69 HydrophobicContact CB-CE2 3.44Å; C49-Y69 VanDerWaalsContact CB-CE2 3.44Å; C49-Y69 HydrophobicContact CB-CG 4.29Å; C49-Y69 WeakPolarHBondContact SG-CD2 3.48Å
50R80.1Confident74.8Confident71 Ų7175.6 Ų75.627%0.26839%0.387SS..  trans-69.1102.5-178.6-70.2179.9-171.3176.9-2.2109.5V45 P46 L47 F86 G90V45-R50 HydrophobicContact CG1-CG 4.03Å; V45-R50 PolarHBondContact O-NE 2.57Å; P46-R50 PolarHBondContact O-N 3.16Å; L47-R50 WeakPolarHBondContact O-CB 3.36Å; L47-R50 PolarHBondContact O-N 2.61Å; R50-F86 HydrophobicContact CB-CE1 4.04Å; R50-F86 HydrophobicContact CB-CE2 4Å; R50-F86 HydrophobicContact CB-CZ 3.63Å; R50-F86 HydrophobicContact CG-CE1 4.12Å; R50-F86 HydrophobicContact CG-CZ 4.02Å; R50-G90 WeakPolarHBondContact CD-O 3.31Å; R50-G90 PolarHBondContact NH1-O 3.45Å
51T71.4Confident72.8Confident5 Ų580.5 Ų80.53%0.03141%0.412CS..  trans-114.5120.7-174-59.50000109.7C49 S66 F80 F81C49-T51 PolarHBondContact O-N 2.97Å; C49-T51 PolarHBondContact O-OG1 3.15Å; C49-T51 VanDerWaalsContact O-OG1 3.14Å; T51-S66 VanDerWaalsContact CG2-CB 3.47Å; T51-S66 VanDerWaalsContact CG2-OG 3.23Å; T51-S66 WeakPolarHBondContact CG2-OG 3.38Å; T51-F80 HydrophobicContact CG2-CD1 4.23Å; T51-F81 PolarHBondContact O-N 3.48Å
52E74.7Confident70.9Confident70 Ų7085.3 Ų85.333%0.32741%0.412SS..BIsolated β-bridgetrans-75.9138.7168.1-60.9-168.5154.300110F81 G84 V85 F86E52-F81 CarbonylContact C-O 3.53Å; E52-F81 WeakPolarHBondContact CA-O 3.24Å; E52-G84 VanDerWaalsContact CD-N 3.31Å; E52-G84 WeakPolarHBondContact OE1-CA 3.29Å; E52-G84 PolarHBondContact OE1-N 2.76Å; E52-G84 PolarHBondContact OE2-N 3.35Å; E52-V85 PolarHBondContact OE1-N 3.09Å; E52-F86 HydrophobicContact CG-CD2 3.57Å; E52-F86 HydrophobicContact CG-CE2 3.84Å
53F64.5Low69.2Low47 Ų4780 Ų8021%0.20639%0.393CS..  trans-83.8129.6175.3-177.4-108000110.4T55 F81 N101 K102F53-T55 HydrophobicContact CE1-CG2 3.83Å; F53-T55 HydrophobicContact CZ-CG2 3.97Å; F53-F81 PolarHBondContact N-O 2.83Å; F53-N101 HydrophobicContact CB-CB 4.3Å; F53-N101 WeakPolarHBondContact CD1-OD1 3.31Å; F53-K102 VanDerWaalsContact CE2-CE 3.5Å
54S63.8Low66.7Low21 Ų2186.3 Ų86.315%0.14742%0.422CS..  trans-135.5145.3172.1-177.30000110.3Q56 E59 Q60S54-Q56 PolarHBondContact OG-N 3.19Å; S54-Q56 VanDerWaalsContact OG-N 3.15Å; S54-E59 WeakPolarHBondContact CB-OE2 3.29Å; S54-E59 PolarHBondContact OG-OE2 2.87Å; S54-Q60 PolarHBondContact O-NE2 3Å
55T56.5Low64.9Low61 Ų6182.4 Ų82.437%0.37441%0.414SS..  trans-95.3-2.417250.60000112.4F53F53-T55 HydrophobicContact CE1-CG2 3.83Å; F53-T55 HydrophobicContact CZ-CG2 3.97Å
56Q63Low63.7Low112 Ų11283.1 Ų83.152%0.52342%0.42SS..  trans-89.5127.3179.9-63.3-167.92.500111.9S54 E58 E59 Q60S54-Q56 PolarHBondContact OG-N 3.19Å; S54-Q56 VanDerWaalsContact OG-N 3.15Å; Q56-E58 PolarHBondContact O-N 2.81Å; Q56-E59 HydrophobicContact CB-CB 4.3Å; Q56-E59 HydrophobicContact CB-CG 4.13Å; Q56-E59 PolarHBondContact O-N 2.82Å; Q56-E59 VanDerWaalsContact O-N 3.16Å; Q56-Q60 PolarHBondContact O-N 3.09Å
57E58.8Low62.9Low153 Ų15382.7 Ų82.772%0.71542%0.416SS*.Hα-helixtrans-57.7-45.4-175.8-172.1176.4-175.100112.9E59 Q60 L61E57-E59 VanDerWaalsContact C-N 3.3Å; E57-E59 PolarHBondContact O-N 3.5Å; E57-Q60 PolarHBondContact O-N 3.09Å; E57-L61 HydrophobicContact CG-CD1 4.15Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.35Å; E57-L61 PolarHBondContact O-N 3.21Å; E57-L61 VanDerWaalsContact O-N 3.09Å
58E55.9Low63Low128 Ų12883.6 Ų83.660%0.59842%0.421SS*.Hα-helixtrans-63.8-33.3178.9-69.9-168.5-174.700113.2Q56 R62Q56-E58 PolarHBondContact O-N 2.81Å; E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.62Å; E58-R62 IonicContact OE2-NH2 3.97Å; E58-R62 PolarHBondContact OE2-NH2 3.29Å
59E60.3Low63.4Low65 Ų6577.8 Ų77.830%0.30439%0.394SS..Hα-helixtrans-76.8-37.4179.7-64.1-171.6156.300111.4S54 Q56 E57 L61 R62 A63 K83S54-E59 WeakPolarHBondContact CB-OE2 3.29Å; S54-E59 PolarHBondContact OG-OE2 2.87Å; Q56-E59 HydrophobicContact CB-CB 4.3Å; Q56-E59 HydrophobicContact CB-CG 4.13Å; Q56-E59 PolarHBondContact O-N 2.82Å; Q56-E59 VanDerWaalsContact O-N 3.16Å; E57-E59 VanDerWaalsContact C-N 3.3Å; E57-E59 PolarHBondContact O-N 3.5Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 2.96Å; E59-R62 PolarHBondContact O-N 2.96Å; E59-A63 PolarHBondContact O-N 2.75Å; E59-K83 IonicContact OE1-NZ 2.72Å; E59-K83 PolarHBondContact OE1-NZ 3.2Å; E59-K83 IonicContact OE2-NZ 3.2Å; E59-K83 PolarHBondContact OE2-NZ 2.7Å
60Q59.5Low63.7Low93 Ų9380.9 Ų80.944%0.43541%0.405SS..Hα-helixtrans-62.8-38.9173.6-70.7-177900112S54 Q56 E57S54-Q60 PolarHBondContact O-NE2 3Å; Q56-Q60 PolarHBondContact O-N 3.09Å; E57-Q60 PolarHBondContact O-N 3.09Å
61L54.4Low64Low121 Ų12183.3 Ų83.363%0.63442%0.423SS*.Hα-helixtrans-72.2-30.2179.5-70.3169000113.5E57 E59E57-L61 HydrophobicContact CG-CD1 4.15Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.35Å; E57-L61 PolarHBondContact O-N 3.21Å; E57-L61 VanDerWaalsContact O-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 2.96Å
62R54.6Low64.9Low191 Ų19185.4 Ų85.472%0.72144%0.438SS*.Hα-helixtrans-79.8-20.9-179.6-73.8177.5-170.2173.613113.5E58 E59 Q64E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.62Å; E58-R62 IonicContact OE2-NH2 3.97Å; E58-R62 PolarHBondContact OE2-NH2 3.29Å; E59-R62 PolarHBondContact O-N 2.96Å; R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 PolarHBondContact O-N 3.45Å
63A57.7Low65.6Low35 Ų3582.1 Ų82.129%0.28942%0.423SS..  trans-81.960.2-177.200000112.2E59 G65 S66 T67E59-A63 PolarHBondContact O-N 2.75Å; A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.53Å; A63-G65 VanDerWaalsContact O-N 3.14Å; A63-S66 WeakPolarHBondContact CB-OG 3.24Å; A63-S66 CarbonylContact O-C 3.51Å; A63-S66 WeakPolarHBondContact O-CA 3.34Å; A63-S66 WeakPolarHBondContact O-CB 3.5Å; A63-S66 PolarHBondContact O-N 3.05Å; A63-T67 PolarHBondContact O-N 2.71Å; A63-T67 PolarHBondContact O-OG1 3.4Å
64Q41.3Very low66.9Low167 Ų16782.1 Ų82.178%0.7844%0.436SS*.Hα-helixtrans-59.3-26.1-170.5-83.1177.6-17.700116R62R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 PolarHBondContact O-N 3.45Å
65G47.4Very low68.4Low57 Ų5785.6 Ų85.659%0.58845%0.453SS*.Hα-helixtrans-83.9-21.8170.900000113.9A63A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.53Å; A63-G65 VanDerWaalsContact O-N 3.14Å
66S57.2Low70.3Confident25 Ų2586.3 Ų86.318%0.17545%0.451CS..Hα-helixtrans-83.6-23.5178.8126.20000111.7T51 A63 D68 Y69 F70T51-S66 VanDerWaalsContact CG2-CB 3.47Å; T51-S66 VanDerWaalsContact CG2-OG 3.23Å; T51-S66 WeakPolarHBondContact CG2-OG 3.38Å; A63-S66 WeakPolarHBondContact CB-OG 3.24Å; A63-S66 CarbonylContact O-C 3.51Å; A63-S66 WeakPolarHBondContact O-CA 3.34Å; A63-S66 WeakPolarHBondContact O-CB 3.5Å; A63-S66 PolarHBondContact O-N 3.05Å; S66-D68 PolarHBondContact O-N 3.11Å; S66-Y69 PolarHBondContact O-N 3.33Å; S66-F70 VanDerWaalsContact O-CB 3.27Å; S66-F70 WeakPolarHBondContact O-CB 3.42Å; S66-F70 PolarHBondContact O-N 3Å
67T65.4Low71.8Confident48 Ų4883.6 Ų83.629%0.29444%0.439SS..Hα-helixtrans-60.8-45.9177.5-44.10000111.9A63 F70 L71A63-T67 PolarHBondContact O-N 2.71Å; A63-T67 PolarHBondContact O-OG1 3.4Å; T67-F70 PolarHBondContact O-N 3.46Å; T67-L71 HydrophobicContact CG2-CD1 3.46Å; T67-L71 VanDerWaalsContact CG2-CD1 3.46Å; T67-L71 HydrophobicContact CG2-CG 3.98Å; T67-L71 VanDerWaalsContact O-CB 3.22Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 WeakPolarHBondContact O-CG 3.11Å; T67-L71 PolarHBondContact O-N 3.47Å
68D81.4Confident73.5Confident118 Ų11878 Ų7863%0.63141%0.412SS*.Hα-helixtrans-70.9-40.2179.9-78.3-12.5000113S66 F70 S72S66-D68 PolarHBondContact O-N 3.11Å; D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.11Å; D68-S72 WeakPolarHBondContact O-CB 3.22Å; D68-S72 PolarHBondContact O-N 3.39Å; D68-S72 PolarHBondContact O-OG 2.96Å
69Y85.4Confident75.4Confident28 Ų2872.9 Ų72.911%0.1139%0.387CS..Hα-helixtrans-65.2-33.4175.1-171.6-92.5000111.5C49 S66 S73 R78 F79 F80C49-Y69 HydrophobicContact CB-CD2 3.55Å; C49-Y69 HydrophobicContact CB-CE2 3.44Å; C49-Y69 VanDerWaalsContact CB-CE2 3.44Å; C49-Y69 HydrophobicContact CB-CG 4.29Å; C49-Y69 WeakPolarHBondContact SG-CD2 3.48Å; S66-Y69 PolarHBondContact O-N 3.33Å; Y69-S73 WeakPolarHBondContact O-CB 3.3Å; Y69-R78 HydrophobicContact CE1-CB 3.79Å; Y69-R78 HydrophobicContact CE1-CG 4.01Å; Y69-R78 HydrophobicContact CE2-CG 4.08Å; Y69-R78 VanDerWaalsContact CZ-CD 3.46Å; Y69-R78 PolarHBondContact O-NH1 3Å; Y69-R78 WeakPolarHBondContact OH-CB 3.42Å; Y69-R78 WeakPolarHBondContact OH-CG 3.31Å; Y69-F79 PolarHBondContact OH-N 2.96Å; Y69-F80 HydrophobicContact CD1-CE1 4.1Å; Y69-F80 HydrophobicContact CE1-CE1 4.22Å; Y69-F80 HydrophobicContact CE1-CZ 4.45Å
70F84.8Confident77Confident83 Ų8369.9 Ų69.936%0.36437%0.373SS..Hα-helixtrans-76-52172.6-177.7-99.9000111.9S66 T67 D68 S72 S73 F80 H105S66-F70 VanDerWaalsContact O-CB 3.27Å; S66-F70 WeakPolarHBondContact O-CB 3.42Å; S66-F70 PolarHBondContact O-N 3Å; T67-F70 PolarHBondContact O-N 3.46Å; D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.11Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.47Å; F70-S73 VanDerWaalsContact O-CB 3.24Å; F70-S73 WeakPolarHBondContact O-CB 3.33Å; F70-S73 PolarHBondContact O-N 2.96Å; F70-S73 VanDerWaalsContact O-N 3.11Å; F70-S73 PolarHBondContact O-OG 2.99Å; F70-F80 HydrophobicContact CB-CE1 4.33Å; F70-F80 HydrophobicContact CD2-CD1 4.35Å; F70-F80 AromaticContact CD2-CE1 3.6Å; F70-F80 HydrophobicContact CD2-CE1 3.6Å; F70-F80 AromaticContact CD2-CZ 3.96Å; F70-F80 HydrophobicContact CD2-CZ 3.96Å; F70-F80 HydrophobicContact CE2-CE1 4.46Å; F70-F80 HydrophobicContact CG-CE1 4.45Å; F70-H105 AromaticContact CE2-CE1 3.95Å
71L85.5Confident78.5Confident121 Ų12165.4 Ų65.463%0.63435%0.353SS*.Hα-helixtrans-63.5-35.5-174.8-69.3174.9000112.8T67 S73T67-L71 HydrophobicContact CG2-CD1 3.46Å; T67-L71 VanDerWaalsContact CG2-CD1 3.46Å; T67-L71 HydrophobicContact CG2-CG 3.98Å; T67-L71 VanDerWaalsContact O-CB 3.22Å; T67-L71 WeakPolarHBondContact O-CB 3.43Å; T67-L71 WeakPolarHBondContact O-CG 3.11Å; T67-L71 PolarHBondContact O-N 3.47Å; L71-S73 VanDerWaalsContact C-N 3.28Å; L71-S73 PolarHBondContact O-N 3.5Å
72S90Very high80.3Confident49 Ų4960 Ų6034%0.34332%0.324SS..THydrogen-bonded Turntrans-87.812178.966.40000114.3D68 F70 K76 R78D68-S72 WeakPolarHBondContact O-CB 3.22Å; D68-S72 PolarHBondContact O-N 3.39Å; D68-S72 PolarHBondContact O-OG 2.96Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.47Å; S72-K76 PolarHBondContact O-NZ 3.37Å; S72-R78 PolarHBondContact O-NH1 3.23Å; S72-R78 VanDerWaalsContact O-NH1 3.16Å; S72-R78 PolarHBondContact OG-NH1 2.77Å; S72-R78 PolarHBondContact OG-NH2 3.2Å; S72-R78 VanDerWaalsContact OG-NH2 3.15Å
73S91.1Very high81.8Confident2 Ų255.9 Ų55.91%0.01431%0.311CS..THydrogen-bonded Turntrans-89.7-11.5-174.366.70000114.8Y69 F70 L71 D75 K76 R78 H105Y69-S73 WeakPolarHBondContact O-CB 3.3Å; F70-S73 VanDerWaalsContact O-CB 3.24Å; F70-S73 WeakPolarHBondContact O-CB 3.33Å; F70-S73 PolarHBondContact O-N 2.96Å; F70-S73 VanDerWaalsContact O-N 3.11Å; F70-S73 PolarHBondContact O-OG 2.99Å; L71-S73 VanDerWaalsContact C-N 3.28Å; L71-S73 PolarHBondContact O-N 3.5Å; S73-D75 PolarHBondContact O-N 2.93Å; S73-K76 PolarHBondContact O-N 2.99Å; S73-R78 VanDerWaalsContact N-NH1 3.17Å; S73-H105 PolarHBondContact OG-CE1 3.13Å; S73-H105 PolarHBondContact OG-ND1 2.93Å
74G91.8Very high83.1Confident47 Ų4756.7 Ų56.749%0.48532%0.323SS..THydrogen-bonded Turntrans-55.7-29.2-171.900000114.5
75D94.4Very high85.5Confident94 Ų9448.9 Ų48.950%0.50329%0.287SS..THydrogen-bonded Turntrans-109.111.3-17967.2-27000113.5S73 A106 H110S73-D75 PolarHBondContact O-N 2.93Å; D75-A106 VanDerWaalsContact C-CB 3.5Å; D75-H110 PolarHBondContact O-CD2 3.45Å; D75-H110 PolarHBondContact O-NE2 3.29Å
76K95.6Very high87.4Confident76 Ų7647.5 Ų47.533%0.3327%0.265SS..SBendtrans-127.3161.7-174.1-67.1171.8-165.271.70112.1S72 S73 R78 G104 H105 A106S72-K76 PolarHBondContact O-NZ 3.37Å; S73-K76 PolarHBondContact O-N 2.99Å; K76-R78 HydrophobicContact CB-CG 4.13Å; K76-G104 CarbonylContact O-C 3.56Å; K76-G104 VanDerWaalsContact O-O 3.13Å; K76-H105 PolarHBondContact O-N 3.23Å; K76-A106 PolarHBondContact O-N 3.27Å; K76-A106 VanDerWaalsContact O-N 3.09Å
77I96Very high88.9Confident55 Ų5549 Ų4928%0.28227%0.27SS..EExtended strand (participates in β ladder)trans-93.3119.7164.3-59.3173000107I103 G104 L107 H110 D111I77-I103 HydrophobicContact CG2-CG2 3.64Å; I77-G104 CarbonylContact C-O 3.57Å; I77-L107 HydrophobicContact CD1-CD2 3.99Å; I77-L107 HydrophobicContact CG1-CD2 4.25Å; I77-L107 HydrophobicContact CG2-CD2 4.14Å; I77-H110 HydrophobicContact CD1-CB 3.88Å; I77-H110 HydrophobicContact CG1-CB 4.37Å; I77-D111 HydrophobicContact CD1-CB 4.26Å
78R94.9Very high89.8Confident36 Ų3656.7 Ų56.714%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-144.2153.7-172.7-77.5-172.2170164.31.3110.4Y69 S72 S73 K76 F80 I103 G104Y69-R78 HydrophobicContact CE1-CB 3.79Å; Y69-R78 HydrophobicContact CE1-CG 4.01Å; Y69-R78 HydrophobicContact CE2-CG 4.08Å; Y69-R78 VanDerWaalsContact CZ-CD 3.46Å; Y69-R78 PolarHBondContact O-NH1 3Å; Y69-R78 WeakPolarHBondContact OH-CB 3.42Å; Y69-R78 WeakPolarHBondContact OH-CG 3.31Å; S72-R78 PolarHBondContact O-NH1 3.23Å; S72-R78 VanDerWaalsContact O-NH1 3.16Å; S72-R78 PolarHBondContact OG-NH1 2.77Å; S72-R78 PolarHBondContact OG-NH2 3.2Å; S72-R78 VanDerWaalsContact OG-NH2 3.15Å; S73-R78 VanDerWaalsContact N-NH1 3.17Å; K76-R78 HydrophobicContact CB-CG 4.13Å; R78-F80 HydrophobicContact CB-CE2 4.12Å; R78-F80 HydrophobicContact CB-CZ 4.28Å; R78-I103 WeakPolarHBondContact O-CA 3.26Å; R78-G104 WeakPolarHBondContact CA-O 3.29Å; R78-G104 PolarHBondContact N-O 3.09Å; R78-G104 PolarHBondContact O-N 3.34Å; R78-G104 VanDerWaalsContact O-O 3.08Å
79F94.8Very high89.9Confident20 Ų2058.7 Ų58.79%0.08831%0.306CS..EExtended strand (participates in β ladder)trans-106.9135.6-175-57.8-94.2000109.7I39 M43 V45 Y69 F81 I100 I103I39-F79 HydrophobicContact CG2-CE1 3.92Å; I39-F79 HydrophobicContact CG2-CZ 3.72Å; M43-F79 HydrophobicContact CB-CD1 4.44Å; M43-F79 HydrophobicContact CB-CE1 3.89Å; M43-F79 HydrophobicContact CB-CE2 4.32Å; M43-F79 HydrophobicContact CB-CZ 3.82Å; M43-F79 HydrophobicContact CG-CD1 3.8Å; M43-F79 HydrophobicContact CG-CD2 3.91Å; M43-F79 HydrophobicContact CG-CE1 3.72Å; M43-F79 HydrophobicContact CG-CE2 3.85Å; M43-F79 HydrophobicContact CG-CG 3.89Å; M43-F79 HydrophobicContact CG-CZ 3.74Å; M43-F79 HydrophobicContact SD-CB 4.11Å; M43-F79 HydrophobicContact SD-CD1 3.44Å; M43-F79 WeakPolarHBondContact SD-CD1 3.29Å; M43-F79 HydrophobicContact SD-CD2 4.34Å; M43-F79 HydrophobicContact SD-CE1 3.85Å; M43-F79 HydrophobicContact SD-CG 3.71Å; M43-F79 HydrophobicContact SD-CZ 4.46Å; V45-F79 HydrophobicContact CG2-CB 3.93Å; V45-F79 HydrophobicContact CG2-CD2 3.6Å; V45-F79 HydrophobicContact CG2-CE2 4.41Å; V45-F79 HydrophobicContact CG2-CG 3.99Å; Y69-F79 PolarHBondContact OH-N 2.96Å; F79-F81 HydrophobicContact CB-CE2 4.1Å; F79-F81 HydrophobicContact CB-CZ 3.96Å; F79-I100 HydrophobicContact CD1-CD1 4.15Å; F79-I103 HydrophobicContact CD1-CD1 4.12Å; F79-I103 HydrophobicContact CD1-CG1 3.66Å; F79-I103 HydrophobicContact CE1-CD1 3.84Å; F79-I103 HydrophobicContact CE1-CG1 3.86Å
80F92.9Very high89.8Confident1 Ų158.3 Ų58.30%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-126.2135.9174.8-57.4-86.1000108.2T51 Y69 F70 R78 N101 K102 H105T51-F80 HydrophobicContact CG2-CD1 4.23Å; Y69-F80 HydrophobicContact CD1-CE1 4.1Å; Y69-F80 HydrophobicContact CE1-CE1 4.22Å; Y69-F80 HydrophobicContact CE1-CZ 4.45Å; F70-F80 HydrophobicContact CB-CE1 4.33Å; F70-F80 HydrophobicContact CD2-CD1 4.35Å; F70-F80 AromaticContact CD2-CE1 3.6Å; F70-F80 HydrophobicContact CD2-CE1 3.6Å; F70-F80 AromaticContact CD2-CZ 3.96Å; F70-F80 HydrophobicContact CD2-CZ 3.96Å; F70-F80 HydrophobicContact CE2-CE1 4.46Å; F70-F80 HydrophobicContact CG-CE1 4.45Å; R78-F80 HydrophobicContact CB-CE2 4.12Å; R78-F80 HydrophobicContact CB-CZ 4.28Å; F80-N101 PolarHBondContact O-N 2.96Å; F80-K102 HydrophobicContact CB-CG 3.79Å; F80-K102 HydrophobicContact CD2-CD 4.33Å; F80-K102 HydrophobicContact CD2-CG 3.85Å; F80-K102 HydrophobicContact CG-CG 4.17Å; F80-K102 PolarHBondContact N-O 2.72Å; F80-K102 PolarHBondContact O-N 2.88Å; F80-K102 VanDerWaalsContact O-N 3.09Å; F80-H105 AromaticContact CE2-CE1 3.77Å; F80-H105 AromaticContact CE2-NE2 4Å; F80-H105 AromaticContact CZ-CE1 3.76Å
81F92.3Very high90Very high0 Ų057.9 Ų57.90%031%0.312CS..EExtended strand (participates in β ladder)trans-105.9156.3-168-61.9-83.7000111.4M43 V45 T51 E52 F53 F79 V85 F86 F92 S99 I100M43-F81 HydrophobicContact CE-CE1 4.02Å; M43-F81 HydrophobicContact CE-CZ 4.32Å; M43-F81 HydrophobicContact SD-CE1 3.77Å; M43-F81 HydrophobicContact SD-CZ 3.7Å; V45-F81 HydrophobicContact CB-CE2 4.37Å; V45-F81 HydrophobicContact CB-CZ 4.29Å; V45-F81 HydrophobicContact CG1-CE2 4.16Å; V45-F81 HydrophobicContact CG2-CE2 4.27Å; V45-F81 HydrophobicContact CG2-CZ 4Å; T51-F81 PolarHBondContact O-N 3.48Å; E52-F81 CarbonylContact C-O 3.53Å; E52-F81 WeakPolarHBondContact CA-O 3.24Å; F53-F81 PolarHBondContact N-O 2.83Å; F79-F81 HydrophobicContact CB-CE2 4.1Å; F79-F81 HydrophobicContact CB-CZ 3.96Å; F81-V85 HydrophobicContact CB-CG2 3.87Å; F81-F86 HydrophobicContact CB-CE2 3.76Å; F81-F86 HydrophobicContact CB-CZ 3.81Å; F81-F86 HydrophobicContact CD1-CZ 4.17Å; F81-F86 HydrophobicContact CD2-CE2 4.08Å; F81-F86 AromaticContact CD2-CZ 3.63Å; F81-F86 HydrophobicContact CD2-CZ 3.63Å; F81-F86 HydrophobicContact CE2-CZ 4.24Å; F81-F86 HydrophobicContact CG-CE2 4.03Å; F81-F86 AromaticContact CG-CZ 3.59Å; F81-F86 HydrophobicContact CG-CZ 3.59Å; F81-F92 AromaticContact CD1-CE1 3.62Å; F81-F92 HydrophobicContact CD1-CE1 3.62Å; F81-F92 HydrophobicContact CD1-CZ 4.07Å; F81-F92 AromaticContact CE1-CE1 3.5Å; F81-F92 HydrophobicContact CE1-CE1 3.5Å; F81-F92 AromaticContact CE1-CZ 3.5Å; F81-F92 HydrophobicContact CE1-CZ 3.5Å; F81-F92 VanDerWaalsContact CE1-CZ 3.5Å; F81-F92 HydrophobicContact CE2-CZ 4.47Å; F81-F92 HydrophobicContact CG-CE1 4.36Å; F81-F92 HydrophobicContact CZ-CE1 4.16Å; F81-F92 AromaticContact CZ-CZ 3.73Å; F81-F92 HydrophobicContact CZ-CZ 3.73Å; F81-S99 CarbonylContact C-O 3.54Å; F81-S99 VanDerWaalsContact CA-O 3.27Å; F81-S99 WeakPolarHBondContact CA-O 3.26Å; F81-S99 WeakPolarHBondContact CB-O 3.36Å; F81-I100 HydrophobicContact CD1-CG1 4.13Å; F81-I100 HydrophobicContact CE1-CG1 3.84Å
82E91.3Very high90.2Very high6 Ų654.5 Ų54.53%0.02829%0.292CS..  trans-63154.5172.5-72.1-64.9163.400110.9V85 S99 N101 F149 G150 G151E82-V85 HydrophobicContact CB-CG1 3.7Å; E82-V85 WeakPolarHBondContact O-CG2 3.21Å; E82-S99 PolarHBondContact N-O 3.49Å; E82-N101 HydrophobicContact CG-CB 4.02Å; E82-N101 WeakPolarHBondContact OE1-CA 3.44Å; E82-N101 WeakPolarHBondContact OE1-CB 3.37Å; E82-N101 PolarHBondContact OE1-ND2 2.87Å; E82-F149 HydrophobicContact CB-CD2 4.35Å; E82-F149 HydrophobicContact CB-CE2 4.07Å; E82-F149 HydrophobicContact CG-CD2 4.39Å; E82-F149 HydrophobicContact CG-CE2 4.07Å; E82-G150 WeakPolarHBondContact OE2-CA 3.29Å; E82-G151 PolarHBondContact OE2-N 3.25Å
83K86Confident90.3Very high106 Ų10657.4 Ų57.446%0.46130%0.304SS..THydrogen-bonded Turntrans-68.5137.6176.6-175.5174.8-177.1171.60111.1E59E59-K83 IonicContact OE1-NZ 2.72Å; E59-K83 PolarHBondContact OE1-NZ 3.2Å; E59-K83 IonicContact OE2-NZ 3.2Å; E59-K83 PolarHBondContact OE2-NZ 2.7Å
84G86Confident90.3Very high52 Ų5259.5 Ų59.554%0.53632%0.316SS..THydrogen-bonded Turntrans77.617.5175.500000114.5E52E52-G84 VanDerWaalsContact CD-N 3.31Å; E52-G84 WeakPolarHBondContact OE1-CA 3.29Å; E52-G84 PolarHBondContact OE1-N 2.76Å; E52-G84 PolarHBondContact OE2-N 3.35Å
85V90.8Very high90.3Very high3 Ų360.1 Ų60.12%0.01831%0.312CS..  trans-90.6-5.9176.4-58.10000112.9E52 F81 E82 F92 L93 F149E52-V85 PolarHBondContact OE1-N 3.09Å; F81-V85 HydrophobicContact CB-CG2 3.87Å; E82-V85 HydrophobicContact CB-CG1 3.7Å; E82-V85 WeakPolarHBondContact O-CG2 3.21Å; V85-F92 WeakPolarHBondContact O-CA 3.39Å; V85-L93 PolarHBondContact O-N 2.87Å; V85-F149 HydrophobicContact CG1-CE2 3.97Å
86F89.1Confident90.1Very high28 Ų2857.8 Ų57.812%0.12330%0.302CS..BIsolated β-bridgetrans-108.5146.6176-59.6-61000112.7R50 E52 F81 G90 N91 F92 L93R50-F86 HydrophobicContact CB-CE1 4.04Å; R50-F86 HydrophobicContact CB-CE2 4Å; R50-F86 HydrophobicContact CB-CZ 3.63Å; R50-F86 HydrophobicContact CG-CE1 4.12Å; R50-F86 HydrophobicContact CG-CZ 4.02Å; E52-F86 HydrophobicContact CG-CD2 3.57Å; E52-F86 HydrophobicContact CG-CE2 3.84Å; F81-F86 HydrophobicContact CB-CE2 3.76Å; F81-F86 HydrophobicContact CB-CZ 3.81Å; F81-F86 HydrophobicContact CD1-CZ 4.17Å; F81-F86 HydrophobicContact CD2-CE2 4.08Å; F81-F86 AromaticContact CD2-CZ 3.63Å; F81-F86 HydrophobicContact CD2-CZ 3.63Å; F81-F86 HydrophobicContact CE2-CZ 4.24Å; F81-F86 HydrophobicContact CG-CE2 4.03Å; F81-F86 AromaticContact CG-CZ 3.59Å; F81-F86 HydrophobicContact CG-CZ 3.59Å; F86-G90 WeakPolarHBondContact CD1-O 3.44Å; F86-N91 CarbonylContact C-O 3.56Å; F86-N91 VanDerWaalsContact CA-O 3.25Å; F86-N91 WeakPolarHBondContact CA-O 3.36Å; F86-F92 HydrophobicContact CD1-CD1 4.11Å; F86-F92 HydrophobicContact CD1-CE1 4.33Å; F86-F92 HydrophobicContact CD1-CG 4.4Å; F86-F92 AromaticContact CE1-CD1 3.49Å; F86-F92 HydrophobicContact CE1-CD1 3.49Å; F86-F92 VanDerWaalsContact CE1-CD1 3.49Å; F86-F92 HydrophobicContact CE1-CD2 4.27Å; F86-F92 AromaticContact CE1-CE1 3.29Å; F86-F92 HydrophobicContact CE1-CE1 3.29Å; F86-F92 HydrophobicContact CE1-CE2 4.12Å; F86-F92 AromaticContact CE1-CG 3.99Å; F86-F92 HydrophobicContact CE1-CG 3.99Å; F86-F92 AromaticContact CE1-CZ 3.64Å; F86-F92 HydrophobicContact CE1-CZ 3.64Å; F86-F92 HydrophobicContact CZ-CD1 4.28Å; F86-F92 AromaticContact CZ-CE1 3.72Å; F86-F92 HydrophobicContact CZ-CE1 3.72Å; F86-F92 HydrophobicContact CZ-CZ 4.07Å; F86-L93 WeakPolarHBondContact O-CD1 3.31Å
87D87.9Confident90Very high55 Ų5558.7 Ų58.729%0.29431%0.307SS..  trans-77.8176.6166.574.26000111.7K89 G90 N91 L93D87-K89 PolarHBondContact O-N 3.06Å; D87-K89 VanDerWaalsContact OD1-CA 3.24Å; D87-K89 WeakPolarHBondContact OD1-CA 3.41Å; D87-K89 WeakPolarHBondContact OD1-CB 3.39Å; D87-K89 PolarHBondContact OD1-N 3.19Å; D87-G90 PolarHBondContact O-N 3.09Å; D87-G90 PolarHBondContact OD1-N 2.75Å; D87-N91 PolarHBondContact N-O 3.39Å; D87-N91 PolarHBondContact OD1-N 3.22Å; D87-N91 PolarHBondContact OD1-ND2 2.98Å; D87-N91 WeakPolarHBondContact OD2-CB 3.5Å; D87-N91 PolarHBondContact OD2-ND2 2.86Å; D87-N91 VanDerWaalsContact OD2-ND2 3.11Å; D87-L93 HydrophobicContact CB-CD2 3.82Å; D87-L93 HydrophobicContact CB-CG 4.22Å
88E84.2Confident89.8Confident210 Ų21061.3 Ų61.398%0.98132%0.317SS*.THydrogen-bonded Turntrans-59.6-16177.2-62.6-178.8171.100114
89K83.8Confident89.7Confident161 Ų16159.6 Ų59.670%0.731%0.31SS*.THydrogen-bonded Turntrans-100.20.5178.5-61.4177.1-178.1176.20112.4D87 N91D87-K89 PolarHBondContact O-N 3.06Å; D87-K89 VanDerWaalsContact OD1-CA 3.24Å; D87-K89 WeakPolarHBondContact OD1-CA 3.41Å; D87-K89 WeakPolarHBondContact OD1-CB 3.39Å; D87-K89 PolarHBondContact OD1-N 3.19Å; K89-N91 WeakPolarHBondContact CB-ND2 3.39Å
90G83Confident89.7Confident20 Ų2058.7 Ų58.721%0.20631%0.306CS..SBendtrans79.613.4-178.100000114.9L47 R50 F86 D87L47-G90 VanDerWaalsContact CD1-O 3.23Å; L47-G90 WeakPolarHBondContact CD1-O 3.49Å; R50-G90 WeakPolarHBondContact CD-O 3.31Å; R50-G90 PolarHBondContact NH1-O 3.45Å; F86-G90 WeakPolarHBondContact CD1-O 3.44Å; D87-G90 PolarHBondContact O-N 3.09Å; D87-G90 PolarHBondContact OD1-N 2.75Å
91N88.9Confident89.7Confident73 Ų7359 Ų5939%0.3931%0.308SS..  trans-83.2148174-53.3-63000111F86 D87 K89 L93F86-N91 CarbonylContact C-O 3.56Å; F86-N91 VanDerWaalsContact CA-O 3.25Å; F86-N91 WeakPolarHBondContact CA-O 3.36Å; D87-N91 PolarHBondContact N-O 3.39Å; D87-N91 PolarHBondContact OD1-N 3.22Å; D87-N91 PolarHBondContact OD1-ND2 2.98Å; D87-N91 WeakPolarHBondContact OD2-CB 3.5Å; D87-N91 PolarHBondContact OD2-ND2 2.86Å; D87-N91 VanDerWaalsContact OD2-ND2 3.11Å; K89-N91 WeakPolarHBondContact CB-ND2 3.39Å; N91-L93 PolarHBondContact O-N 2.68Å
92F90.5Very high89.8Confident50 Ų5060 Ų6022%0.21931%0.312CS..BIsolated β-bridgetrans-65.1126.5176.6-74.2-77.2000111.8F81 V85 F86 V94 P96F81-F92 AromaticContact CD1-CE1 3.62Å; F81-F92 HydrophobicContact CD1-CE1 3.62Å; F81-F92 HydrophobicContact CD1-CZ 4.07Å; F81-F92 AromaticContact CE1-CE1 3.5Å; F81-F92 HydrophobicContact CE1-CE1 3.5Å; F81-F92 AromaticContact CE1-CZ 3.5Å; F81-F92 HydrophobicContact CE1-CZ 3.5Å; F81-F92 VanDerWaalsContact CE1-CZ 3.5Å; F81-F92 HydrophobicContact CE2-CZ 4.47Å; F81-F92 HydrophobicContact CG-CE1 4.36Å; F81-F92 HydrophobicContact CZ-CE1 4.16Å; F81-F92 AromaticContact CZ-CZ 3.73Å; F81-F92 HydrophobicContact CZ-CZ 3.73Å; V85-F92 WeakPolarHBondContact O-CA 3.39Å; F86-F92 HydrophobicContact CD1-CD1 4.11Å; F86-F92 HydrophobicContact CD1-CE1 4.33Å; F86-F92 HydrophobicContact CD1-CG 4.4Å; F86-F92 AromaticContact CE1-CD1 3.49Å; F86-F92 HydrophobicContact CE1-CD1 3.49Å; F86-F92 VanDerWaalsContact CE1-CD1 3.49Å; F86-F92 HydrophobicContact CE1-CD2 4.27Å; F86-F92 AromaticContact CE1-CE1 3.29Å; F86-F92 HydrophobicContact CE1-CE1 3.29Å; F86-F92 HydrophobicContact CE1-CE2 4.12Å; F86-F92 AromaticContact CE1-CG 3.99Å; F86-F92 HydrophobicContact CE1-CG 3.99Å; F86-F92 AromaticContact CE1-CZ 3.64Å; F86-F92 HydrophobicContact CE1-CZ 3.64Å; F86-F92 HydrophobicContact CZ-CD1 4.28Å; F86-F92 AromaticContact CZ-CE1 3.72Å; F86-F92 HydrophobicContact CZ-CE1 3.72Å; F86-F92 HydrophobicContact CZ-CZ 4.07Å; F92-V94 WeakPolarHBondContact CB-O 3.44Å; F92-P96 HydrophobicContact CB-CG 4.47Å; F92-P96 HydrophobicContact CD1-CB 4.3Å; F92-P96 HydrophobicContact CD1-CG 4.39Å; F92-P96 HydrophobicContact CD2-CB 4.16Å; F92-P96 HydrophobicContact CD2-CG 3.73Å; F92-P96 HydrophobicContact CE1-CB 4.09Å; F92-P96 HydrophobicContact CE2-CB 3.95Å; F92-P96 HydrophobicContact CE2-CG 3.97Å; F92-P96 HydrophobicContact CG-CB 4.33Å; F92-P96 HydrophobicContact CG-CG 3.96Å; F92-P96 HydrophobicContact CZ-CB 3.91Å; F92-P96 HydrophobicContact CZ-CG 4.39Å
93L91.6Very high90.1Very high111 Ų11159.7 Ų59.758%0.58131%0.311SS*.SBendtrans-84.6-22.2170.9-67.3173.3000112.3V85 F86 D87 N91V85-L93 PolarHBondContact O-N 2.87Å; F86-L93 WeakPolarHBondContact O-CD1 3.31Å; D87-L93 HydrophobicContact CB-CD2 3.82Å; D87-L93 HydrophobicContact CB-CG 4.22Å; N91-L93 PolarHBondContact O-N 2.68Å
94V90.6Very high90.5Very high45 Ų4554.6 Ų54.627%0.27329%0.289SS..SBendtrans-127.2150.6-178.3-179.40000107.4F92 K98 S99 F149F92-V94 WeakPolarHBondContact CB-O 3.44Å; V94-K98 HydrophobicContact CG1-CB 3.97Å; V94-S99 PolarHBondContact O-OG 3.37Å; V94-S99 VanDerWaalsContact O-OG 3.05Å; V94-F149 HydrophobicContact CG1-CE1 4.44Å; V94-F149 HydrophobicContact CG1-CZ 4.1Å
95P92.2Very high90.9Very high60 Ų6052.5 Ų52.539%0.3927%0.265SS..  trans-47.9134.3178.5-30.736.2000112.6E97 K98 S99P95-E97 VanDerWaalsContact C-N 3.25Å; P95-E97 VanDerWaalsContact CB-CD 3.49Å; P95-E97 WeakPolarHBondContact CB-OE1 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.27Å; P95-E97 PolarHBondContact O-N 3.02Å; P95-K98 WeakPolarHBondContact O-CA 3.13Å; P95-K98 PolarHBondContact O-N 3.41Å; P95-S99 PolarHBondContact O-N 3.48Å; P95-S99 VanDerWaalsContact O-N 3.12Å; P95-S99 PolarHBondContact O-OG 2.85Å
96P90.4Very high91.2Very high46 Ų4652.4 Ų52.430%0.29927%0.265SS..G310 helixtrans-52.7-41.6-172-27.833.9000113.6M43 F92 K98 S99 I100M43-P96 HydrophobicContact CE-CB 3.43Å; M43-P96 VanDerWaalsContact CE-CB 3.43Å; F92-P96 HydrophobicContact CB-CG 4.47Å; F92-P96 HydrophobicContact CD1-CB 4.3Å; F92-P96 HydrophobicContact CD1-CG 4.39Å; F92-P96 HydrophobicContact CD2-CB 4.16Å; F92-P96 HydrophobicContact CD2-CG 3.73Å; F92-P96 HydrophobicContact CE1-CB 4.09Å; F92-P96 HydrophobicContact CE2-CB 3.95Å; F92-P96 HydrophobicContact CE2-CG 3.97Å; F92-P96 HydrophobicContact CG-CB 4.33Å; F92-P96 HydrophobicContact CG-CG 3.96Å; F92-P96 HydrophobicContact CZ-CB 3.91Å; F92-P96 HydrophobicContact CZ-CG 4.39Å; P96-K98 PolarHBondContact O-N 3.14Å; P96-S99 WeakPolarHBondContact O-CB 3.35Å; P96-S99 PolarHBondContact O-N 2.97Å; P96-I100 WeakPolarHBondContact O-CG1 3.34Å
97E92.1Very high91.7Very high95 Ų9551.1 Ų51.144%0.44426%0.259SS..G310 helixtrans-63.5-25.817969.5-78-174.800113.6V40 P95 Q146V40-E97 HydrophobicContact CG1-CB 3.47Å; V40-E97 VanDerWaalsContact CG1-CB 3.47Å; P95-E97 VanDerWaalsContact C-N 3.25Å; P95-E97 VanDerWaalsContact CB-CD 3.49Å; P95-E97 WeakPolarHBondContact CB-OE1 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.27Å; P95-E97 PolarHBondContact O-N 3.02Å; E97-Q146 PolarHBondContact O-NE2 2.99Å
98K92.6Very high92.2Very high110 Ų11049.3 Ų49.348%0.47825%0.248SC..G310 helixtrans-92-11.2174.4-65.1-174.7-178.9179.60112.6V94 P95 P96 Q146 F149V94-K98 HydrophobicContact CG1-CB 3.97Å; P95-K98 WeakPolarHBondContact O-CA 3.13Å; P95-K98 PolarHBondContact O-N 3.41Å; P96-K98 PolarHBondContact O-N 3.14Å; K98-Q146 VanDerWaalsContact O-CG 3.22Å; K98-Q146 WeakPolarHBondContact O-CG 3.49Å; K98-Q146 PolarHBondContact O-NE2 2.92Å; K98-F149 WeakPolarHBondContact O-CZ 3.16Å
99S93.4Very high92.8Very high0 Ų040.8 Ų40.80%021%0.214CC..SBendtrans-89-7.8-176.2-58.70000112.8F81 E82 V94 P95 P96F81-S99 CarbonylContact C-O 3.54Å; F81-S99 VanDerWaalsContact CA-O 3.27Å; F81-S99 WeakPolarHBondContact CA-O 3.26Å; F81-S99 WeakPolarHBondContact CB-O 3.36Å; E82-S99 PolarHBondContact N-O 3.49Å; V94-S99 PolarHBondContact O-OG 3.37Å; V94-S99 VanDerWaalsContact O-OG 3.05Å; P95-S99 PolarHBondContact O-N 3.48Å; P95-S99 VanDerWaalsContact O-N 3.12Å; P95-S99 PolarHBondContact O-OG 2.85Å; P96-S99 WeakPolarHBondContact O-CB 3.35Å; P96-S99 PolarHBondContact O-N 2.97Å
100I93.4Very high93.5Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-77.1130.3-175.5-55.4165.9000109.9V40 M43 F79 F81 P96 I103 F144 Q146V40-I100 HydrophobicContact CB-CD1 4.29Å; V40-I100 HydrophobicContact CG1-CD1 3.73Å; V40-I100 HydrophobicContact CG2-CD1 3.68Å; M43-I100 HydrophobicContact CE-CD1 4.01Å; M43-I100 HydrophobicContact CE-CG1 4.29Å; M43-I100 HydrophobicContact SD-CD1 3.64Å; M43-I100 HydrophobicContact SD-CG1 3.96Å; F79-I100 HydrophobicContact CD1-CD1 4.15Å; F81-I100 HydrophobicContact CD1-CG1 4.13Å; F81-I100 HydrophobicContact CE1-CG1 3.84Å; P96-I100 WeakPolarHBondContact O-CG1 3.34Å; I100-I103 HydrophobicContact CG2-CG1 4.35Å; I100-F144 HydrophobicContact CB-CD2 4.21Å; I100-F144 HydrophobicContact CB-CE2 4.31Å; I100-F144 HydrophobicContact CG2-CD2 3.6Å; I100-F144 HydrophobicContact CG2-CE2 3.54Å; I100-F144 HydrophobicContact CG2-CG 4.43Å; I100-F144 HydrophobicContact CG2-CZ 4.31Å; I100-F144 WeakPolarHBondContact O-CB 3.25Å; I100-Q146 PolarHBondContact O-NE2 2.81Å; I100-Q146 VanDerWaalsContact O-NE2 3.07Å
101N93.8Very high94.2Very high7 Ų738 Ų384%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-88.2-47.5169172.4-97.9000110.9F53 F80 E82 F144F53-N101 HydrophobicContact CB-CB 4.3Å; F53-N101 WeakPolarHBondContact CD1-OD1 3.31Å; F80-N101 PolarHBondContact O-N 2.96Å; E82-N101 HydrophobicContact CG-CB 4.02Å; E82-N101 WeakPolarHBondContact OE1-CA 3.44Å; E82-N101 WeakPolarHBondContact OE1-CB 3.37Å; E82-N101 PolarHBondContact OE1-ND2 2.87Å; N101-F144 PolarHBondContact O-N 3.41Å
102K94.9Very high94.6Very high21 Ų2138.8 Ų38.89%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-154.3156.1178.568179112.5-173.80113.2F53 F80 M141 Y142 I143F53-K102 VanDerWaalsContact CE2-CE 3.5Å; F80-K102 HydrophobicContact CB-CG 3.79Å; F80-K102 HydrophobicContact CD2-CD 4.33Å; F80-K102 HydrophobicContact CD2-CG 3.85Å; F80-K102 HydrophobicContact CG-CG 4.17Å; F80-K102 PolarHBondContact N-O 2.72Å; F80-K102 PolarHBondContact O-N 2.88Å; F80-K102 VanDerWaalsContact O-N 3.09Å; K102-M141 HydrophobicContact CD-SD 3.91Å; K102-Y142 CarbonylContact C-O 3.51Å; K102-Y142 WeakPolarHBondContact CA-O 3.48Å; K102-Y142 WeakPolarHBondContact CB-O 3.46Å; K102-I143 HydrophobicContact CB-CG1 4.38Å
103I96.3Very high95Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-108.4128.4161.9-64.2160.8000107.6I36 I39 V40 I77 R78 F79 I100 L107 M141 Y142 F144I36-I103 HydrophobicContact CD1-CD1 4.04Å; I36-I103 HydrophobicContact CG2-CD1 4.35Å; I39-I103 HydrophobicContact CG2-CD1 4.04Å; V40-I103 HydrophobicContact CG2-CD1 3.96Å; I77-I103 HydrophobicContact CG2-CG2 3.64Å; R78-I103 WeakPolarHBondContact O-CA 3.26Å; F79-I103 HydrophobicContact CD1-CD1 4.12Å; F79-I103 HydrophobicContact CD1-CG1 3.66Å; F79-I103 HydrophobicContact CE1-CD1 3.84Å; F79-I103 HydrophobicContact CE1-CG1 3.86Å; I100-I103 HydrophobicContact CG2-CG1 4.35Å; I103-L107 HydrophobicContact CB-CD1 4.44Å; I103-L107 HydrophobicContact CG2-CD1 3.99Å; I103-L107 HydrophobicContact CG2-CD2 4.19Å; I103-L107 HydrophobicContact CG2-CG 4.19Å; I103-M141 CarbonylContact O-C 3.57Å; I103-M141 VanDerWaalsContact O-CA 3.25Å; I103-M141 WeakPolarHBondContact O-CA 3.43Å; I103-Y142 PolarHBondContact N-O 2.74Å; I103-Y142 PolarHBondContact O-N 3.48Å; I103-F144 HydrophobicContact CD1-CE2 3.79Å; I103-F144 HydrophobicContact CD1-CZ 3.8Å; I103-F144 HydrophobicContact CG1-CE2 3.92Å; I103-F144 HydrophobicContact CG1-CZ 4.43Å
104G94.6Very high95.3Very high0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-149.7171.2178.100000110.7K76 I77 R78K76-G104 CarbonylContact O-C 3.56Å; K76-G104 VanDerWaalsContact O-O 3.13Å; I77-G104 CarbonylContact C-O 3.57Å; R78-G104 WeakPolarHBondContact CA-O 3.29Å; R78-G104 PolarHBondContact N-O 3.09Å; R78-G104 PolarHBondContact O-N 3.34Å; R78-G104 VanDerWaalsContact O-O 3.08Å
105H95.4Very high95.7Very high7 Ų736.1 Ų36.13%0.03219%0.19CC..EExtended strand (participates in β ladder)cis-119.1-2.4-0.6-66.5122.1000112.3F70 S73 K76 F80 H108 Q139 S140F70-H105 AromaticContact CE2-CE1 3.95Å; S73-H105 PolarHBondContact OG-CE1 3.13Å; S73-H105 PolarHBondContact OG-ND1 2.93Å; K76-H105 PolarHBondContact O-N 3.23Å; F80-H105 AromaticContact CE2-CE1 3.77Å; F80-H105 AromaticContact CE2-NE2 4Å; F80-H105 AromaticContact CZ-CE1 3.76Å; H105-H108 PolarHBondContact O-CE1 3.47Å; H105-Q139 HydrophobicContact CB-CG 4.01Å; H105-Q139 PolarHBondContact CD2-NE2 3.36Å; H105-S140 CarbonylContact C-O 3.4Å; H105-S140 VanDerWaalsContact CA-O 3.29Å; H105-S140 WeakPolarHBondContact CA-O 3.39Å; H105-S140 PolarHBondContact O-N 3.01Å; H105-S140 VanDerWaalsContact O-O 3.05Å; H105-S140 PolarHBondContact O-OG 3.38Å
106A97.4Very high96Very high2 Ų236.9 Ų36.92%0.01720%0.197CC..BIsolated β-bridgetrans-11928.4-169.500000114.8D75 K76 H108 A109 H110D75-A106 VanDerWaalsContact C-CB 3.5Å; K76-A106 PolarHBondContact O-N 3.27Å; K76-A106 VanDerWaalsContact O-N 3.09Å; A106-H108 PolarHBondContact O-N 3.38Å; A106-A109 HydrophobicContact CB-CB 4.29Å; A106-A109 PolarHBondContact O-N 3.39Å; A106-H110 PolarHBondContact O-N 3.41Å
107L98.3Very high96.3Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-51.8-44.5171.5-73.9165.3000111.6I36 I39 I77 I103 A109 H110 D111 F114 S140I36-L107 HydrophobicContact CD1-CD1 4.33Å; I39-L107 HydrophobicContact CD1-CD2 3.96Å; I77-L107 HydrophobicContact CD1-CD2 3.99Å; I77-L107 HydrophobicContact CG1-CD2 4.25Å; I77-L107 HydrophobicContact CG2-CD2 4.14Å; I103-L107 HydrophobicContact CB-CD1 4.44Å; I103-L107 HydrophobicContact CG2-CD1 3.99Å; I103-L107 HydrophobicContact CG2-CD2 4.19Å; I103-L107 HydrophobicContact CG2-CG 4.19Å; L107-A109 PolarHBondContact O-N 2.87Å; L107-A109 VanDerWaalsContact O-N 3.15Å; L107-H110 PolarHBondContact O-N 3.38Å; L107-D111 HydrophobicContact CD2-CB 4.14Å; L107-D111 WeakPolarHBondContact O-CB 3.45Å; L107-D111 PolarHBondContact O-N 3.29Å; L107-F114 HydrophobicContact CB-CB 3.96Å; L107-F114 HydrophobicContact CB-CD1 4.21Å; L107-F114 HydrophobicContact CB-CD2 4.24Å; L107-F114 HydrophobicContact CB-CG 3.87Å; L107-F114 HydrophobicContact CD1-CD1 4.4Å; L107-F114 HydrophobicContact CD1-CE1 4.29Å; L107-F114 HydrophobicContact CD1-CZ 4.39Å; L107-F114 HydrophobicContact CD2-CD2 4.05Å; L107-F114 HydrophobicContact CD2-CE2 4.26Å; L107-S140 WeakPolarHBondContact CB-OG 3.38Å; L107-S140 PolarHBondContact N-OG 3.04Å
108H97.9Very high96.6Very high17 Ų1732 Ų328%0.07917%0.172CC..Hα-helixtrans-58.9-24.8176.967.5-80.2000114.5H105 A106 K115 T118 V137 S140H105-H108 PolarHBondContact O-CE1 3.47Å; A106-H108 PolarHBondContact O-N 3.38Å; H108-K115 VanDerWaalsContact O-CA 3.27Å; H108-K115 WeakPolarHBondContact O-CA 3.39Å; H108-K115 VanDerWaalsContact O-CB 3.24Å; H108-K115 WeakPolarHBondContact O-CB 3.44Å; H108-K115 WeakPolarHBondContact O-CG 3.49Å; H108-T118 HydrophobicContact CB-CG2 3.86Å; H108-V137 HydrophobicContact CB-CG1 4.16Å; H108-V137 WeakPolarHBondContact CD2-CG1 3.28Å; H108-V137 PolarHBondContact NE2-O 2.89Å; H108-S140 PolarHBondContact N-OG 3.35Å; H108-S140 VanDerWaalsContact ND1-CB 3.29Å; H108-S140 WeakPolarHBondContact ND1-CB 3.18Å; H108-S140 PolarHBondContact ND1-OG 2.86Å
109A97.7Very high96.8Very high32 Ų3230.8 Ų30.826%0.26417%0.168SC..Hα-helixtrans-94.3-42-176.200000112.1A106 L107 K115A106-A109 HydrophobicContact CB-CB 4.29Å; A106-A109 PolarHBondContact O-N 3.39Å; L107-A109 PolarHBondContact O-N 2.87Å; L107-A109 VanDerWaalsContact O-N 3.15Å; A109-K115 PolarHBondContact O-NZ 3.31Å
110H97.9Very high96.9Very high119 Ų11931.8 Ų31.855%0.55118%0.175SC*.Hα-helixtrans-108.5-29.3-166.9-63.1-56.2000114.5D75 I77 A106 L107D75-H110 PolarHBondContact O-CD2 3.45Å; D75-H110 PolarHBondContact O-NE2 3.29Å; I77-H110 HydrophobicContact CD1-CB 3.88Å; I77-H110 HydrophobicContact CG1-CB 4.37Å; A106-H110 PolarHBondContact O-N 3.41Å; L107-H110 PolarHBondContact O-N 3.38Å
111D98.3Very high97Very high4 Ų439 Ų392%0.02121%0.207CC..  trans-88.9126.2178.4-175-86.6000110.8R35 I77 L107 V113 F114 K115R35-D111 IonicContact CZ-OD2 3.73Å; R35-D111 IonicContact NE-OD1 3.42Å; R35-D111 IonicContact NE-OD2 3.92Å; R35-D111 PolarHBondContact NE-OD2 3.18Å; R35-D111 IonicContact NH2-OD2 2.77Å; R35-D111 PolarHBondContact NH2-OD2 3.5Å; I77-D111 HydrophobicContact CD1-CB 4.26Å; L107-D111 HydrophobicContact CD2-CB 4.14Å; L107-D111 WeakPolarHBondContact O-CB 3.45Å; L107-D111 PolarHBondContact O-N 3.29Å; D111-V113 VanDerWaalsContact C-N 3.34Å; D111-V113 PolarHBondContact O-N 3.36Å; D111-V113 WeakPolarHBondContact OD1-CB 3.39Å; D111-V113 PolarHBondContact OD1-N 3.12Å; D111-F114 HydrophobicContact CB-CB 4.28Å; D111-F114 HydrophobicContact CB-CD2 4.07Å; D111-F114 PolarHBondContact O-N 3Å; D111-F114 WeakPolarHBondContact OD1-CD2 3.23Å; D111-F114 PolarHBondContact OD1-N 3.41Å; D111-K115 WeakPolarHBondContact O-CB 3.45Å; D111-K115 PolarHBondContact O-N 3.48Å
112P98.2Very high97.1Very high89 Ų8940.6 Ų40.658%0.57821%0.213SC*.Hα-helixtrans-62.8-35.8-174.723.6-33.7000113.7S116P112-S116 WeakPolarHBondContact O-CB 3.4Å; P112-S116 PolarHBondContact O-N 3.02Å; P112-S116 PolarHBondContact O-OG 2.9Å
113V98.4Very high97.2Very high36 Ų3640.7 Ų40.722%0.21822%0.216CC..Hα-helixtrans-69.1-54.1-179.7176.90000109.3A31 M32 R35 D111 K115 S116 I117A31-V113 HydrophobicContact CB-CG1 4.23Å; M32-V113 HydrophobicContact CG-CG1 4.25Å; R35-V113 HydrophobicContact CB-CB 4.24Å; R35-V113 HydrophobicContact CB-CG1 4.43Å; R35-V113 HydrophobicContact CB-CG2 4.06Å; R35-V113 HydrophobicContact CG-CB 4.09Å; R35-V113 HydrophobicContact CG-CG2 3.92Å; D111-V113 VanDerWaalsContact C-N 3.34Å; D111-V113 PolarHBondContact O-N 3.36Å; D111-V113 WeakPolarHBondContact OD1-CB 3.39Å; D111-V113 PolarHBondContact OD1-N 3.12Å; V113-K115 VanDerWaalsContact C-N 3.34Å; V113-K115 PolarHBondContact O-N 2.88Å; V113-S116 PolarHBondContact O-N 3Å; V113-S116 PolarHBondContact O-OG 3.15Å; V113-I117 HydrophobicContact CG1-CD1 4.24Å; V113-I117 PolarHBondContact O-N 3.26Å
114F98.4Very high97.1Very high11 Ų1144.2 Ų44.25%0.04823%0.232CC..Hα-helixtrans-62.3-41.5179.8-74.6-89.5000111.8M32 R35 I36 L107 D111 S116 I117 T118 Y142M32-F114 HydrophobicContact CB-CZ 4.29Å; M32-F114 HydrophobicContact CE-CD1 3.82Å; M32-F114 HydrophobicContact CE-CE1 3.37Å; M32-F114 HydrophobicContact CE-CZ 4.19Å; M32-F114 HydrophobicContact CG-CE1 4.45Å; R35-F114 HydrophobicContact CG-CE2 4.41Å; I36-F114 HydrophobicContact CD1-CE2 3.66Å; I36-F114 HydrophobicContact CD1-CZ 3.52Å; I36-F114 HydrophobicContact CG1-CE2 3.81Å; I36-F114 HydrophobicContact CG1-CZ 3.49Å; I36-F114 VanDerWaalsContact CG1-CZ 3.49Å; L107-F114 HydrophobicContact CB-CB 3.96Å; L107-F114 HydrophobicContact CB-CD1 4.21Å; L107-F114 HydrophobicContact CB-CD2 4.24Å; L107-F114 HydrophobicContact CB-CG 3.87Å; L107-F114 HydrophobicContact CD1-CD1 4.4Å; L107-F114 HydrophobicContact CD1-CE1 4.29Å; L107-F114 HydrophobicContact CD1-CZ 4.39Å; L107-F114 HydrophobicContact CD2-CD2 4.05Å; L107-F114 HydrophobicContact CD2-CE2 4.26Å; D111-F114 HydrophobicContact CB-CB 4.28Å; D111-F114 HydrophobicContact CB-CD2 4.07Å; D111-F114 PolarHBondContact O-N 3Å; D111-F114 WeakPolarHBondContact OD1-CD2 3.23Å; D111-F114 PolarHBondContact OD1-N 3.41Å; F114-S116 PolarHBondContact O-N 3.33Å; F114-I117 PolarHBondContact O-N 3.14Å; F114-T118 WeakPolarHBondContact O-CB 3.37Å; F114-T118 PolarHBondContact O-N 2.94Å; F114-T118 PolarHBondContact O-OG1 3.28Å; F114-T118 VanDerWaalsContact O-OG1 3.04Å; F114-Y142 HydrophobicContact CE1-CD2 4.02Å; F114-Y142 AromaticContact CZ-CD2 3.84Å; F114-Y142 HydrophobicContact CZ-CD2 3.84Å; F114-Y142 HydrophobicContact CZ-CE2 4.41Å
115K98.3Very high97.1Very high103 Ų10345.2 Ų45.245%0.44824%0.239SC..Hα-helixtrans-58.4-46.3175.2-174.1174.2-163.5156.60112.2H108 A109 D111 V113 I117 H119H108-K115 VanDerWaalsContact O-CA 3.27Å; H108-K115 WeakPolarHBondContact O-CA 3.39Å; H108-K115 VanDerWaalsContact O-CB 3.24Å; H108-K115 WeakPolarHBondContact O-CB 3.44Å; H108-K115 WeakPolarHBondContact O-CG 3.49Å; A109-K115 PolarHBondContact O-NZ 3.31Å; D111-K115 WeakPolarHBondContact O-CB 3.45Å; D111-K115 PolarHBondContact O-N 3.48Å; V113-K115 VanDerWaalsContact C-N 3.34Å; V113-K115 PolarHBondContact O-N 2.88Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.27Å; K115-H119 WeakPolarHBondContact O-CB 3.28Å; K115-H119 PolarHBondContact O-CD2 2.99Å; K115-H119 VanDerWaalsContact O-CD2 3.26Å; K115-H119 PolarHBondContact O-N 3.01Å
116S98.1Very high97.1Very high76 Ų7645.6 Ų45.653%0.53124%0.241SC..Hα-helixtrans-60.3-39.8179.776.80000112.3P112 V113 F114 S120P112-S116 WeakPolarHBondContact O-CB 3.4Å; P112-S116 PolarHBondContact O-N 3.02Å; P112-S116 PolarHBondContact O-OG 2.9Å; V113-S116 PolarHBondContact O-N 3Å; V113-S116 PolarHBondContact O-OG 3.15Å; F114-S116 PolarHBondContact O-N 3.33Å; S116-S120 WeakPolarHBondContact O-CA 3.19Å; S116-S120 WeakPolarHBondContact O-CB 3.23Å; S116-S120 PolarHBondContact O-N 3.27Å; S116-S120 VanDerWaalsContact O-N 3.1Å
117I97.6Very high96.9Very high6 Ų646.2 Ų46.23%0.03125%0.246CC..Hα-helixtrans-74.9-50.5-178.6-68.1172.1000110.5L24 E28 M32 V113 F114 K115 H119 S120 V123 I175L24-I117 HydrophobicContact CD1-CG2 4.02Å; L24-I117 HydrophobicContact CD2-CG2 4.12Å; E28-I117 HydrophobicContact CB-CD1 4.3Å; M32-I117 HydrophobicContact CG-CD1 3.29Å; M32-I117 HydrophobicContact SD-CD1 3.41Å; M32-I117 WeakPolarHBondContact SD-CD1 3.33Å; M32-I117 HydrophobicContact SD-CG2 4.33Å; V113-I117 HydrophobicContact CG1-CD1 4.24Å; V113-I117 PolarHBondContact O-N 3.26Å; F114-I117 PolarHBondContact O-N 3.14Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.27Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 3.36Å; I117-S120 VanDerWaalsContact O-CB 3.24Å; I117-S120 WeakPolarHBondContact O-CB 3.35Å; I117-S120 PolarHBondContact O-N 3.35Å; I117-S120 VanDerWaalsContact O-N 3.13Å; I117-S120 PolarHBondContact O-OG 3.26Å; I117-V123 WeakPolarHBondContact O-CG2 3.38Å; I117-I175 HydrophobicContact CG2-CD1 4.48Å
118T97.4Very high96.6Very high32 Ų3252.4 Ų52.420%0.19627%0.269CS..Hα-helixtrans-58.5-41179.7-62.70000112H108 F114 V123 V137H108-T118 HydrophobicContact CB-CG2 3.86Å; F114-T118 WeakPolarHBondContact O-CB 3.37Å; F114-T118 PolarHBondContact O-N 2.94Å; F114-T118 PolarHBondContact O-OG1 3.28Å; F114-T118 VanDerWaalsContact O-OG1 3.04Å; T118-V123 WeakPolarHBondContact O-CB 3.47Å; T118-V123 WeakPolarHBondContact O-CG1 3.49Å; T118-V137 HydrophobicContact CG2-CG1 4.15Å; T118-V137 HydrophobicContact CG2-CG2 3.79Å
119H96.6Very high96.4Very high85 Ų8552.8 Ų52.839%0.39427%0.274SS..THydrogen-bonded Turntrans-94.89.6-179.4-62.5-73.8000113.6K115 I117 Q124K115-H119 WeakPolarHBondContact O-CB 3.28Å; K115-H119 PolarHBondContact O-CD2 2.99Å; K115-H119 VanDerWaalsContact O-CD2 3.26Å; K115-H119 PolarHBondContact O-N 3.01Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 3.36Å; H119-Q124 PolarHBondContact O-NE2 2.83Å
120S96.6Very high96.2Very high21 Ų2153.2 Ų53.215%0.14727%0.271CS..SBendtrans-60.5153178.5670000112.2S116 I117 K122 V123 Q124S116-S120 WeakPolarHBondContact O-CA 3.19Å; S116-S120 WeakPolarHBondContact O-CB 3.23Å; S116-S120 PolarHBondContact O-N 3.27Å; S116-S120 VanDerWaalsContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-CB 3.24Å; I117-S120 WeakPolarHBondContact O-CB 3.35Å; I117-S120 PolarHBondContact O-N 3.35Å; I117-S120 VanDerWaalsContact O-N 3.13Å; I117-S120 PolarHBondContact O-OG 3.26Å; S120-K122 PolarHBondContact O-N 3.12Å; S120-K122 VanDerWaalsContact O-N 3.16Å; S120-K122 WeakPolarHBondContact OG-CG 3.11Å; S120-V123 PolarHBondContact O-N 3.09Å; S120-V123 VanDerWaalsContact O-N 3.17Å; S120-V123 WeakPolarHBondContact OG-CG2 3.49Å; S120-V123 PolarHBondContact OG-N 2.84Å; S120-Q124 WeakPolarHBondContact O-CG 3.27Å; S120-Q124 PolarHBondContact O-N 2.96Å
121F95.7Very high95.8Very high152 Ų15249.5 Ų49.567%0.66727%0.266SS*.Hα-helixtrans-55.2-36.3178.7179.2-100000112.6T125F121-T125 WeakPolarHBondContact CE1-OG1 3.43Å; F121-T125 WeakPolarHBondContact O-CB 3.44Å; F121-T125 PolarHBondContact O-N 3.39Å; F121-T125 PolarHBondContact O-OG1 3.07Å
122K95.4Very high95.4Very high39 Ų3951.5 Ų51.517%0.1728%0.276CS..Hα-helixtrans-67.8-42.4179.158.2-179.3174.1-175.60113.2A2 F23 L24 E28 S120 T125 L126A2-K122 HydrophobicContact CB-CB 4.02Å; F23-K122 HydrophobicContact CE1-CD 4.13Å; F23-K122 HydrophobicContact CE1-CG 4.17Å; F23-K122 HydrophobicContact CE2-CB 4.2Å; F23-K122 HydrophobicContact CZ-CB 3.9Å; F23-K122 HydrophobicContact CZ-CD 4.13Å; F23-K122 HydrophobicContact CZ-CG 3.88Å; F23-K122 PolarHBondContact O-NZ 3.14Å; L24-K122 HydrophobicContact CD2-CD 4.42Å; L24-K122 VanDerWaalsContact CD2-CE 3.42Å; E28-K122 VanDerWaalsContact OE1-CE 3.31Å; E28-K122 WeakPolarHBondContact OE1-CE 3.23Å; E28-K122 IonicContact OE1-NZ 2.78Å; E28-K122 PolarHBondContact OE1-NZ 2.99Å; E28-K122 IonicContact OE2-NZ 2.57Å; E28-K122 PolarHBondContact OE2-NZ 2.81Å; S120-K122 PolarHBondContact O-N 3.12Å; S120-K122 VanDerWaalsContact O-N 3.16Å; S120-K122 WeakPolarHBondContact OG-CG 3.11Å; K122-T125 PolarHBondContact O-N 3.41Å; K122-L126 WeakPolarHBondContact O-CB 3.41Å; K122-L126 PolarHBondContact O-N 3.34Å
123V95.9Very high94.9Very high23 Ų2355.1 Ų55.114%0.13929%0.285CS..Hα-helixtrans-67.6-42.4176.8174.20000110.2F23 I117 T118 S120 T125 L126 A127F23-V123 HydrophobicContact CE1-CG2 3.82Å; F23-V123 HydrophobicContact CZ-CG2 4.12Å; I117-V123 WeakPolarHBondContact O-CG2 3.38Å; T118-V123 WeakPolarHBondContact O-CB 3.47Å; T118-V123 WeakPolarHBondContact O-CG1 3.49Å; S120-V123 PolarHBondContact O-N 3.09Å; S120-V123 VanDerWaalsContact O-N 3.17Å; S120-V123 WeakPolarHBondContact OG-CG2 3.49Å; S120-V123 PolarHBondContact OG-N 2.84Å; V123-T125 VanDerWaalsContact C-N 3.32Å; V123-T125 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 2.88Å; V123-A127 WeakPolarHBondContact O-CB 3.48Å; V123-A127 PolarHBondContact O-N 2.85Å
124Q94.8Very high94.4Very high74 Ų7461.7 Ų61.735%0.34632%0.315SS..Hα-helixtrans-61.3-41.1174.8-67.2-174.94300112.3H119 S120 A127 R128H119-Q124 PolarHBondContact O-NE2 2.83Å; S120-Q124 WeakPolarHBondContact O-CG 3.27Å; S120-Q124 PolarHBondContact O-N 2.96Å; Q124-A127 PolarHBondContact O-N 2.8Å; Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 2.78Å
125T94.3Very high94Very high22 Ų2264.4 Ų64.414%0.13533%0.334CS..Hα-helixtrans-68.3-42.1179-52.10000110.9A2 F121 K122 V123 A127 R128 S129A2-T125 HydrophobicContact CB-CG2 4.02Å; A2-T125 VanDerWaalsContact O-CB 3.32Å; A2-T125 WeakPolarHBondContact O-CB 3.39Å; A2-T125 WeakPolarHBondContact O-CG2 3.46Å; F121-T125 WeakPolarHBondContact CE1-OG1 3.43Å; F121-T125 WeakPolarHBondContact O-CB 3.44Å; F121-T125 PolarHBondContact O-N 3.39Å; F121-T125 PolarHBondContact O-OG1 3.07Å; K122-T125 PolarHBondContact O-N 3.41Å; V123-T125 VanDerWaalsContact C-N 3.32Å; V123-T125 PolarHBondContact O-N 2.9Å; T125-A127 PolarHBondContact O-N 3.34Å; T125-R128 PolarHBondContact O-N 2.63Å; T125-S129 WeakPolarHBondContact O-CB 3.41Å; T125-S129 PolarHBondContact O-N 3.5Å; T125-S129 PolarHBondContact O-OG 3.27Å
126L95.3Very high93.7Very high15 Ų1565.3 Ų65.38%0.07935%0.348CS..Hα-helixtrans-56-49.9173.4175.161.5000111.7L4 L20 F23 K122 V123 R128 S129 L130L4-L126 HydrophobicContact CD1-CD1 3.73Å; L4-L126 HydrophobicContact CD2-CD1 3.74Å; L4-L126 HydrophobicContact CG-CD1 3.79Å; L20-L126 HydrophobicContact CD1-CD1 3.81Å; L20-L126 HydrophobicContact CD1-CD2 3.99Å; F23-L126 HydrophobicContact CE2-CB 4.45Å; F23-L126 HydrophobicContact CE2-CD2 4.19Å; F23-L126 HydrophobicContact CZ-CB 4.35Å; F23-L126 HydrophobicContact CZ-CD2 4.01Å; K122-L126 WeakPolarHBondContact O-CB 3.41Å; K122-L126 PolarHBondContact O-N 3.34Å; V123-L126 PolarHBondContact O-N 2.88Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 3.18Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 2.77Å; L126-L130 HydrophobicContact CD1-CD1 4.02Å; L126-L130 HydrophobicContact CD1-CG 4.42Å; L126-L130 HydrophobicContact CG-CD1 4.24Å; L126-L130 WeakPolarHBondContact O-CG 3.13Å; L126-L130 PolarHBondContact O-N 3.16Å
127A93.9Very high93.6Very high14 Ų1464.3 Ų64.312%0.11634%0.339CS..Hα-helixtrans-58.5-44.8178.500000112V123 Q124 T125 L130 G131 L132 P135V123-A127 WeakPolarHBondContact O-CB 3.48Å; V123-A127 PolarHBondContact O-N 2.85Å; Q124-A127 PolarHBondContact O-N 2.8Å; T125-A127 PolarHBondContact O-N 3.34Å; A127-L130 PolarHBondContact O-N 3.39Å; A127-G131 PolarHBondContact O-N 3.15Å; A127-L132 HydrophobicContact CB-CB 4.42Å; A127-L132 HydrophobicContact CB-CD1 4.07Å; A127-L132 WeakPolarHBondContact O-CB 3.44Å; A127-L132 PolarHBondContact O-N 3.3Å; A127-L132 VanDerWaalsContact O-N 3.08Å; A127-P135 HydrophobicContact CB-CG 4.25Å
128R92.8Very high93.3Very high130 Ų13068.6 Ų68.649%0.49137%0.365SS..Hα-helixtrans-65.4-40.3176.5-70-179.2-166.1112.35.5112.3Q124 T125 L126 L130 G131Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 2.78Å; T125-R128 PolarHBondContact O-N 2.63Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 3.18Å; R128-L130 PolarHBondContact O-N 3.27Å; R128-G131 PolarHBondContact O-N 2.99Å
129S93.7Very high93.2Very high26 Ų2670.5 Ų70.518%0.18237%0.372CS..Hα-helixtrans-60.3-32.6175.3-68.90000112.2C3 L9 T125 L126 G131C3-S129 PolarHBondContact SG-OG 2.81Å; L9-S129 VanDerWaalsContact CD2-O 3.28Å; L9-S129 WeakPolarHBondContact CD2-O 3.43Å; T125-S129 WeakPolarHBondContact O-CB 3.41Å; T125-S129 PolarHBondContact O-N 3.5Å; T125-S129 PolarHBondContact O-OG 3.27Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 2.77Å; S129-G131 PolarHBondContact O-N 3.07Å
130L92.8Very high93.2Very high40 Ų4067.3 Ų67.321%0.20936%0.359CS..THydrogen-bonded Turntrans-82.86.8175.5-66.1171.3000113.5L4 L9 F12 L126 A127 R128 L171L4-L130 HydrophobicContact CD1-CD2 3.53Å; L4-L130 HydrophobicContact CD1-CG 3.86Å; L9-L130 HydrophobicContact CD2-CD2 4.15Å; F12-L130 HydrophobicContact CB-CD2 4.38Å; F12-L130 HydrophobicContact CD1-CD2 3.56Å; F12-L130 HydrophobicContact CD2-CD2 4.25Å; F12-L130 HydrophobicContact CE1-CD2 3.84Å; F12-L130 HydrophobicContact CE2-CD2 4.5Å; F12-L130 HydrophobicContact CG-CD2 3.79Å; F12-L130 HydrophobicContact CZ-CD2 4.31Å; L126-L130 HydrophobicContact CD1-CD1 4.02Å; L126-L130 HydrophobicContact CD1-CG 4.42Å; L126-L130 HydrophobicContact CG-CD1 4.24Å; L126-L130 WeakPolarHBondContact O-CG 3.13Å; L126-L130 PolarHBondContact O-N 3.16Å; A127-L130 PolarHBondContact O-N 3.39Å; R128-L130 PolarHBondContact O-N 3.27Å; L130-L171 HydrophobicContact CD1-CD1 4.09Å; L130-L171 HydrophobicContact CD1-CD2 3.52Å; L130-L171 HydrophobicContact CD1-CG 4.47Å
131G90.3Very high93.3Very high42 Ų4269.8 Ų69.843%0.43337%0.369SS..THydrogen-bonded Turntrans906.1173.500000115.2A127 R128 S129 Q133A127-G131 PolarHBondContact O-N 3.15Å; R128-G131 PolarHBondContact O-N 2.99Å; S129-G131 PolarHBondContact O-N 3.07Å; G131-Q133 PolarHBondContact O-N 3.28Å
132L89.8Confident93.4Very high46 Ų4664.1 Ų64.124%0.24134%0.343CS..  trans-75.6117.1173.9-59.3175.3000110.2A127 P135 L171A127-L132 HydrophobicContact CB-CB 4.42Å; A127-L132 HydrophobicContact CB-CD1 4.07Å; A127-L132 WeakPolarHBondContact O-CB 3.44Å; A127-L132 PolarHBondContact O-N 3.3Å; A127-L132 VanDerWaalsContact O-N 3.08Å; L132-P135 HydrophobicContact CB-CB 3.98Å; L132-P135 HydrophobicContact CB-CG 4.14Å; L132-P135 HydrophobicContact CD1-CB 4.08Å; L132-L171 HydrophobicContact CD1-CB 4.22Å; L132-L171 HydrophobicContact CD1-CD2 3.95Å
133Q87.1Confident93.4Very high165 Ų16565.9 Ų65.977%0.77135%0.354SS*.SBendtrans-83-53.8-175.6-62.3-63.4-24.100112.2G131G131-Q133 PolarHBondContact O-N 3.28Å
134M88.8Confident93.4Very high173 Ų17366.3 Ų66.385%0.85235%0.354SS*.SBendtrans-130.268.3177.1-63.2-165.8-58.900109.3
135P89.7Confident93.3Very high69 Ų6969.8 Ų69.845%0.44837%0.368SS..  trans-65.1141.2-178.226.2-32.6000111.5A127 L132A127-P135 HydrophobicContact CB-CG 4.25Å; L132-P135 HydrophobicContact CB-CB 3.98Å; L132-P135 HydrophobicContact CB-CG 4.14Å; L132-P135 HydrophobicContact CD1-CB 4.08Å
136V91.4Very high93.2Very high121 Ų12170.3 Ų70.373%0.73337%0.369SS*.  trans-111.8134.7169.1179.30000107.9V138V136-V138 HydrophobicContact CG1-CG1 4.29Å; V136-V138 PolarHBondContact O-N 2.95Å
137V95Very high92.9Very high56 Ų5673.5 Ų73.534%0.33939%0.39SS..  trans-84.8110.3171.5-1730000107.2H108 T118H108-V137 HydrophobicContact CB-CG1 4.16Å; H108-V137 WeakPolarHBondContact CD2-CG1 3.28Å; H108-V137 PolarHBondContact NE2-O 2.89Å; T118-V137 HydrophobicContact CG2-CG1 4.15Å; T118-V137 HydrophobicContact CG2-CG2 3.79Å
138V92.6Very high92.6Very high96 Ų9682.2 Ų82.258%0.58243%0.428SS*.  trans-92.4-21.5-176.6-62.10000112.6V136 L162V136-V138 HydrophobicContact CG1-CG1 4.29Å; V136-V138 PolarHBondContact O-N 2.95Å; V138-L162 HydrophobicContact CG2-CD1 4.27Å; V138-L162 HydrophobicContact CG2-CD2 4.41Å
139Q94.8Very high92.3Very high72 Ų7279.7 Ų79.734%0.33642%0.421SS..  trans-160.9145.9-175.8-177.7171.976.500110.8H105 M141H105-Q139 HydrophobicContact CB-CG 4.01Å; H105-Q139 PolarHBondContact CD2-NE2 3.36Å; Q139-M141 HydrophobicContact CG-CE 4.45Å; Q139-M141 HydrophobicContact CG-CG 4.15Å
140S97.3Very high91.7Very high18 Ų1880.6 Ų80.613%0.12644%0.435CS..EExtended strand (participates in β ladder)trans-136.7137.9166600000109.2H105 L107 H108H105-S140 CarbonylContact C-O 3.4Å; H105-S140 VanDerWaalsContact CA-O 3.29Å; H105-S140 WeakPolarHBondContact CA-O 3.39Å; H105-S140 PolarHBondContact O-N 3.01Å; H105-S140 VanDerWaalsContact O-O 3.05Å; H105-S140 PolarHBondContact O-OG 3.38Å; L107-S140 WeakPolarHBondContact CB-OG 3.38Å; L107-S140 PolarHBondContact N-OG 3.04Å; H108-S140 PolarHBondContact N-OG 3.35Å; H108-S140 VanDerWaalsContact ND1-CB 3.29Å; H108-S140 WeakPolarHBondContact ND1-CB 3.18Å; H108-S140 PolarHBondContact ND1-OG 2.86Å
141M97.3Very high91.1Very high72 Ų7280.6 Ų80.636%0.35544%0.444SS..EExtended strand (participates in β ladder)trans-132.1145.8177.3-66177.6-71.900110.2K102 I103 Q139 I143K102-M141 HydrophobicContact CD-SD 3.91Å; I103-M141 CarbonylContact O-C 3.57Å; I103-M141 VanDerWaalsContact O-CA 3.25Å; I103-M141 WeakPolarHBondContact O-CA 3.43Å; Q139-M141 HydrophobicContact CG-CE 4.45Å; Q139-M141 HydrophobicContact CG-CG 4.15Å; M141-I143 HydrophobicContact CB-CG1 4.17Å
142Y97.9Very high90.9Very high33 Ų3386.2 Ų86.213%0.12946%0.459CS..EExtended strand (participates in β ladder)trans-105.8118.3160.8-165-82.2000107.9I36 K102 I103 F114 F144 V177I36-Y142 HydrophobicContact CB-CE1 4.49Å; I36-Y142 HydrophobicContact CB-CE2 4.34Å; I36-Y142 HydrophobicContact CD1-CD1 4.3Å; I36-Y142 HydrophobicContact CD1-CD2 3.81Å; I36-Y142 HydrophobicContact CD1-CE2 4.42Å; I36-Y142 HydrophobicContact CD1-CG 3.7Å; I36-Y142 HydrophobicContact CG1-CD1 4.2Å; I36-Y142 HydrophobicContact CG1-CD2 3.5Å; I36-Y142 HydrophobicContact CG1-CE1 4.34Å; I36-Y142 HydrophobicContact CG1-CE2 3.61Å; I36-Y142 HydrophobicContact CG1-CG 3.77Å; I36-Y142 HydrophobicContact CG2-CD1 3.99Å; I36-Y142 HydrophobicContact CG2-CE1 3.87Å; I36-Y142 HydrophobicContact CG2-CG 4.4Å; K102-Y142 CarbonylContact C-O 3.51Å; K102-Y142 WeakPolarHBondContact CA-O 3.48Å; K102-Y142 WeakPolarHBondContact CB-O 3.46Å; I103-Y142 PolarHBondContact N-O 2.74Å; I103-Y142 PolarHBondContact O-N 3.48Å; F114-Y142 HydrophobicContact CE1-CD2 4.02Å; F114-Y142 AromaticContact CZ-CD2 3.84Å; F114-Y142 HydrophobicContact CZ-CD2 3.84Å; F114-Y142 HydrophobicContact CZ-CE2 4.41Å; Y142-F144 HydrophobicContact CD1-CD1 4.46Å; Y142-F144 HydrophobicContact CD1-CD2 4.06Å; Y142-F144 HydrophobicContact CD1-CE1 4.11Å; Y142-F144 AromaticContact CD1-CE2 3.66Å; Y142-F144 HydrophobicContact CD1-CE2 3.66Å; Y142-F144 HydrophobicContact CD1-CG 4.44Å; Y142-F144 AromaticContact CD1-CZ 3.71Å; Y142-F144 HydrophobicContact CD1-CZ 3.71Å; Y142-F144 HydrophobicContact CE1-CD1 4.22Å; Y142-F144 AromaticContact CE1-CE1 3.94Å; Y142-F144 HydrophobicContact CE1-CE1 3.94Å; Y142-F144 HydrophobicContact CE1-CE2 4.32Å; Y142-F144 AromaticContact CE1-CZ 4Å; Y142-F144 HydrophobicContact CE1-CZ 4Å; Y142-V177 HydrophobicContact CD2-CG2 4.36Å; Y142-V177 HydrophobicContact CE2-CG2 3.45Å; Y142-V177 VanDerWaalsContact CE2-CG2 3.45Å
143I96.3Very high90.6Very high77 Ų7787.3 Ų87.340%0.39547%0.468SS..EExtended strand (participates in β ladder)trans-107.5121.5-172.9-59.1172.7000108.4K102 M141K102-I143 HydrophobicContact CB-CG1 4.38Å; M141-I143 HydrophobicContact CB-CG1 4.17Å
144F95.4Very high90.7Very high31 Ų3182 Ų8214%0.13645%0.448CS..  trans-86.7146.4177.7-62.7-99.3000109.9I36 V40 I100 N101 I103 Y142 Q146I36-F144 HydrophobicContact CG2-CE1 3.81Å; I36-F144 HydrophobicContact CG2-CZ 3.46Å; I36-F144 VanDerWaalsContact CG2-CZ 3.46Å; V40-F144 HydrophobicContact CG2-CE1 4.35Å; V40-F144 HydrophobicContact CG2-CZ 3.89Å; I100-F144 HydrophobicContact CB-CD2 4.21Å; I100-F144 HydrophobicContact CB-CE2 4.31Å; I100-F144 HydrophobicContact CG2-CD2 3.6Å; I100-F144 HydrophobicContact CG2-CE2 3.54Å; I100-F144 HydrophobicContact CG2-CG 4.43Å; I100-F144 HydrophobicContact CG2-CZ 4.31Å; I100-F144 WeakPolarHBondContact O-CB 3.25Å; N101-F144 PolarHBondContact O-N 3.41Å; I103-F144 HydrophobicContact CD1-CE2 3.79Å; I103-F144 HydrophobicContact CD1-CZ 3.8Å; I103-F144 HydrophobicContact CG1-CE2 3.92Å; I103-F144 HydrophobicContact CG1-CZ 4.43Å; Y142-F144 HydrophobicContact CD1-CD1 4.46Å; Y142-F144 HydrophobicContact CD1-CD2 4.06Å; Y142-F144 HydrophobicContact CD1-CE1 4.11Å; Y142-F144 AromaticContact CD1-CE2 3.66Å; Y142-F144 HydrophobicContact CD1-CE2 3.66Å; Y142-F144 HydrophobicContact CD1-CG 4.44Å; Y142-F144 AromaticContact CD1-CZ 3.71Å; Y142-F144 HydrophobicContact CD1-CZ 3.71Å; Y142-F144 HydrophobicContact CE1-CD1 4.22Å; Y142-F144 AromaticContact CE1-CE1 3.94Å; Y142-F144 HydrophobicContact CE1-CE1 3.94Å; Y142-F144 HydrophobicContact CE1-CE2 4.32Å; Y142-F144 AromaticContact CE1-CZ 4Å; Y142-F144 HydrophobicContact CE1-CZ 4Å; F144-Q146 HydrophobicContact CB-CG 4.5Å
145K93.4Very high90.9Very high147 Ų14780 Ų8064%0.63945%0.449SS*.  trans-123.686.7168.1-65.8-62.1178.3-170.70107.4
146Q91.8Very high91Very high33 Ų3381.4 Ų81.415%0.15445%0.449CS..  trans-65.8141.2-177.5-57.7-67.9-0.500109.6E97 K98 I100 F144 F149E97-Q146 PolarHBondContact O-NE2 2.99Å; K98-Q146 VanDerWaalsContact O-CG 3.22Å; K98-Q146 WeakPolarHBondContact O-CG 3.49Å; K98-Q146 PolarHBondContact O-NE2 2.92Å; I100-Q146 PolarHBondContact O-NE2 2.81Å; I100-Q146 VanDerWaalsContact O-NE2 3.07Å; F144-Q146 HydrophobicContact CB-CG 4.5Å; Q146-F149 HydrophobicContact CB-CD1 4.48Å; Q146-F149 HydrophobicContact CB-CE1 4.06Å; Q146-F149 HydrophobicContact CB-CE2 4.35Å; Q146-F149 HydrophobicContact CB-CZ 4.01Å; Q146-F149 HydrophobicContact CG-CZ 4.33Å
147P89.3Confident90.9Very high82 Ų8282.3 Ų82.353%0.53245%0.445SS..SBendtrans-68.3143.5176.328.8-34.2000110.3F149P147-F149 WeakPolarHBondContact O-CD1 3.5Å; P147-F149 PolarHBondContact O-N 2.6Å; P147-F149 VanDerWaalsContact O-N 3.13Å
148H86.7Confident90.7Very high197 Ų19783.5 Ų83.591%0.91245%0.45SS*.SBendtrans72.8-18.4174.5-46-70000117.6
149F86.3Confident90.5Very high77 Ų7781 Ų8134%0.33844%0.439SS..  trans-149166177.770.2-79.9000111.8E82 V85 V94 K98 Q146 P147E82-F149 HydrophobicContact CB-CD2 4.35Å; E82-F149 HydrophobicContact CB-CE2 4.07Å; E82-F149 HydrophobicContact CG-CD2 4.39Å; E82-F149 HydrophobicContact CG-CE2 4.07Å; V85-F149 HydrophobicContact CG1-CE2 3.97Å; V94-F149 HydrophobicContact CG1-CE1 4.44Å; V94-F149 HydrophobicContact CG1-CZ 4.1Å; K98-F149 WeakPolarHBondContact O-CZ 3.16Å; Q146-F149 HydrophobicContact CB-CD1 4.48Å; Q146-F149 HydrophobicContact CB-CE1 4.06Å; Q146-F149 HydrophobicContact CB-CE2 4.35Å; Q146-F149 HydrophobicContact CB-CZ 4.01Å; Q146-F149 HydrophobicContact CG-CZ 4.33Å; P147-F149 WeakPolarHBondContact O-CD1 3.5Å; P147-F149 PolarHBondContact O-N 2.6Å; P147-F149 VanDerWaalsContact O-N 3.13Å
150G81.3Confident90.2Very high46 Ų4682 Ų8247%0.47445%0.454SS..  trans145.3149.6178.400000111.2E82E82-G150 WeakPolarHBondContact OE2-CA 3.29Å
151G80.8Confident89.6Confident39 Ų3988.2 Ų88.240%0.40248%0.479SS..  trans-68.3141.5178.700000113E82E82-G151 PolarHBondContact OE2-N 3.25Å
152E85.8Confident89.1Confident161 Ų16187 Ų8775%0.75247%0.474SS*.  trans-62.8136.2167.3-177.6-178.6-176.900110.1
153V84.6Confident88.6Confident69 Ų6994.1 Ų94.142%0.41850%0.501SS..  trans-102.4105.6168.6-177.90000107.4H156V153-H156 VanDerWaalsContact CG1-CE1 3.49Å; V153-H156 WeakPolarHBondContact CG1-CE1 3.22Å
154S88.4Confident88.1Confident52 Ų5292.1 Ų92.136%0.36449%0.493SS..  trans-67.8155.3178.353.20000111.6H156S154-H156 PolarHBondContact O-N 2.67Å; S154-H156 PolarHBondContact O-ND1 3.26Å
155P92.6Very high87.6Confident132 Ų13298.8 Ų98.886%0.85752%0.524SS*.SBendtrans-55.1128.7173.9-25.735000111.7
156H91.5Very high87.2Confident99 Ų9995.3 Ų95.346%0.45852%0.517SS..  trans-151.2173.317962.1-78.7000110.9V153 S154 D158 F161V153-H156 VanDerWaalsContact CG1-CE1 3.49Å; V153-H156 WeakPolarHBondContact CG1-CE1 3.22Å; S154-H156 PolarHBondContact O-N 2.67Å; S154-H156 PolarHBondContact O-ND1 3.26Å; H156-D158 IonicContact CD2-OD1 3.26Å; H156-D158 PolarHBondContact CD2-OD1 2.95Å; H156-D158 IonicContact NE2-OD1 2.6Å; H156-D158 PolarHBondContact NE2-OD1 3.12Å; H156-F161 HydrophobicContact CB-CE2 4.3Å
157Q90.3Very high86.7Confident140 Ų140100 Ų10065%0.65454%0.542SS*.  trans-122.4124.7172.7-67.2-177.8-10.400109.3A159 S160Q157-A159 PolarHBondContact O-N 3.44Å; Q157-S160 VanDerWaalsContact O-CB 3.26Å; Q157-S160 WeakPolarHBondContact O-CB 3.34Å; Q157-S160 PolarHBondContact O-N 3.11Å; Q157-S160 PolarHBondContact O-OG 2.88Å
158D89.7Confident86Confident81 Ų8198.7 Ų98.743%0.43354%0.544SS..G310 helixtrans-60.7-32.4-178-68.5-12000112.8H156 S160 F161 L162H156-D158 IonicContact CD2-OD1 3.26Å; H156-D158 PolarHBondContact CD2-OD1 2.95Å; H156-D158 IonicContact NE2-OD1 2.6Å; H156-D158 PolarHBondContact NE2-OD1 3.12Å; D158-S160 PolarHBondContact O-N 3.05Å; D158-S160 VanDerWaalsContact O-N 3.13Å; D158-F161 PolarHBondContact O-N 2.92Å; D158-L162 PolarHBondContact O-N 3.41Å
159A89.4Confident85.9Confident43 Ų4397.5 Ų97.536%0.35553%0.532SS..G310 helixtrans-63.3-16.1176.700000113.5Q157 F161Q157-A159 PolarHBondContact O-N 3.44Å; A159-F161 VanDerWaalsContact C-N 3.29Å
160S87.8Confident86.1Confident92 Ų9296.3 Ų96.364%0.64353%0.531SS*.G310 helixtrans-72.2-24.4171.1-58.60000112.6Q157 D158Q157-S160 VanDerWaalsContact O-CB 3.26Å; Q157-S160 WeakPolarHBondContact O-CB 3.34Å; Q157-S160 PolarHBondContact O-N 3.11Å; Q157-S160 PolarHBondContact O-OG 2.88Å; D158-S160 PolarHBondContact O-N 3.05Å; D158-S160 VanDerWaalsContact O-N 3.13Å
161F85.6Confident86.6Confident150 Ų15096.8 Ų96.866%0.65852%0.522SS*.THydrogen-bonded Turntrans-104.2-22.4-179.9-56.3-74.1000112.8H156 D158 A159H156-F161 HydrophobicContact CB-CE2 4.3Å; D158-F161 PolarHBondContact O-N 2.92Å; A159-F161 VanDerWaalsContact C-N 3.29Å
162L87.3Confident87.3Confident46 Ų4697.8 Ų97.824%0.24153%0.532CS..SBendtrans-108108.1-179.5-65.1175.9000111.2V138 D158 V170V138-L162 HydrophobicContact CG2-CD1 4.27Å; V138-L162 HydrophobicContact CG2-CD2 4.41Å; D158-L162 PolarHBondContact O-N 3.41Å; L162-V170 HydrophobicContact CB-CG2 4.24Å; L162-V170 HydrophobicContact CD1-CG1 3.99Å
163Y86Confident87.8Confident182 Ų18293.8 Ų93.871%0.71452%0.519SS*.  trans-75.1131.4176.8-173.6-94.8000111.5L167Y163-L167 HydrophobicContact CD2-CD2 4.01Å; Y163-L167 HydrophobicContact CE2-CD2 3.92Å
164T87.3Confident88.3Confident35 Ų35100.5 Ų100.522%0.21554%0.537CS..  trans-137.1150.7175.247.60000110P166 L167 G168 R169 V170T164-P166 CarbonylContact C-O 3.53Å; T164-P166 CarbonylContact O-C 3.31Å; T164-P166 VanDerWaalsContact O-C 3.31Å; T164-P166 PolarHBondContact OG1-O 2.82Å; T164-L167 WeakPolarHBondContact O-CA 3.24Å; T164-L167 WeakPolarHBondContact O-CD2 3.44Å; T164-L167 PolarHBondContact O-N 2.79Å; T164-G168 PolarHBondContact OG1-N 2.84Å; T164-R169 PolarHBondContact OG1-N 3.02Å; T164-V170 HydrophobicContact CG2-CG2 3.61Å
165E84.4Confident88.7Confident171 Ų171100.7 Ų100.780%0.79953%0.533SS*.SBendtrans-120.8117.4171-169.6171-172.800109.8
166P84.4Confident88.9Confident75 Ų7597.8 Ų97.849%0.48752%0.52SS..SBendcis-69157.2-6.930.6-33.7000112.4T164 R169T164-P166 CarbonylContact C-O 3.53Å; T164-P166 CarbonylContact O-C 3.31Å; T164-P166 VanDerWaalsContact O-C 3.31Å; T164-P166 PolarHBondContact OG1-O 2.82Å; P166-R169 HydrophobicContact CG-CG 3.99Å; P166-R169 WeakPolarHBondContact O-CG 3.35Å
167L81.5Confident88.8Confident130 Ų13096.1 Ų96.168%0.68152%0.517SS*.THydrogen-bonded Turntrans-57.6148.6-179.3-69.4172.1000112.2Y163 T164Y163-L167 HydrophobicContact CD2-CD2 4.01Å; Y163-L167 HydrophobicContact CE2-CD2 3.92Å; T164-L167 WeakPolarHBondContact O-CA 3.24Å; T164-L167 WeakPolarHBondContact O-CD2 3.44Å; T164-L167 PolarHBondContact O-N 2.79Å
168G75.2Confident88.7Confident56 Ų5694 Ų9458%0.57751%0.51SS*.THydrogen-bonded Turntrans83.59.1174.400000115T164 V170T164-G168 PolarHBondContact OG1-N 2.84Å; G168-V170 PolarHBondContact O-N 3.35Å
169R83.6Confident88.7Confident172 Ų17294.6 Ų94.665%0.64951%0.514SS*.  trans-89.350.8177.4-67.2-102.4-177.3143.71.5111.7T164 P166T164-R169 PolarHBondContact OG1-N 3.02Å; P166-R169 HydrophobicContact CG-CG 3.99Å; P166-R169 WeakPolarHBondContact O-CG 3.35Å
170V90.2Very high88.6Confident52 Ų5297.5 Ų97.532%0.31552%0.523SS..  trans-119.5135.9179.8-178.20000109.3L162 T164 G168L162-V170 HydrophobicContact CB-CG2 4.24Å; L162-V170 HydrophobicContact CD1-CG1 3.99Å; T164-V170 HydrophobicContact CG2-CG2 3.61Å; G168-V170 PolarHBondContact O-N 3.35Å
171L92.6Very high88.7Confident56 Ų5697.8 Ų97.829%0.29352%0.516SS..  trans-125.9125.8175.518072.8000109.3F12 L130 L132F12-L171 HydrophobicContact CE2-CD1 4Å; F12-L171 HydrophobicContact CZ-CD1 3.52Å; L130-L171 HydrophobicContact CD1-CD1 4.09Å; L130-L171 HydrophobicContact CD1-CD2 3.52Å; L130-L171 HydrophobicContact CD1-CG 4.47Å; L132-L171 HydrophobicContact CD1-CB 4.22Å; L132-L171 HydrophobicContact CD1-CD2 3.95Å
172G94.7Very high88.9Confident59 Ų5994.6 Ų94.661%0.60851%0.507SS*.  trans-88.7134.5168.900000111.2
173V95.9Very high89Confident78 Ų7897.8 Ų97.847%0.47353%0.525SS..  trans-113.1104.1167.2-178.10000107.4I175V173-I175 HydrophobicContact CG1-CG1 4.14Å
174W97.1Very high89.2Confident210 Ų21091.8 Ų91.880%0.79551%0.511SS*.  trans-93.9119.1178.1-16390.6000110A176W174-A176 HydrophobicContact CE3-CB 4.3Å; W174-A176 HydrophobicContact CH2-CB 4.09Å; W174-A176 HydrophobicContact CZ3-CB 3.48Å; W174-A176 VanDerWaalsContact CZ3-CB 3.48Å
175I96.8Very high89.3Confident55 Ų5596.2 Ų96.228%0.28253%0.534SS..  trans-108.7119.2-177.6-55.5169.5000107.9L24 M32 I117 V173 V177L24-I175 HydrophobicContact CD1-CD1 4.25Å; L24-I175 HydrophobicContact CD1-CG2 3.42Å; L24-I175 VanDerWaalsContact CD1-CG2 3.42Å; L24-I175 HydrophobicContact CG-CG2 4.25Å; M32-I175 HydrophobicContact CE-CD1 4.41Å; I117-I175 HydrophobicContact CG2-CD1 4.48Å; V173-I175 HydrophobicContact CG1-CG1 4.14Å; I175-V177 HydrophobicContact CG2-CG1 3.84Å; I175-V177 PolarHBondContact O-N 3.13Å
176A95.7Very high89.7Confident71 Ų7189.9 Ų89.959%0.58751%0.512SS*.  trans-76.6111.7172.100000109.1W174W174-A176 HydrophobicContact CE3-CB 4.3Å; W174-A176 HydrophobicContact CH2-CB 4.09Å; W174-A176 HydrophobicContact CZ3-CB 3.48Å; W174-A176 VanDerWaalsContact CZ3-CB 3.48Å
177V89.3Confident90.2Very high65 Ų6591.3 Ų91.339%0.39451%0.514SS..  trans-132.60173-690000109.8C29 M32 Q33 Y142 I175C29-V177 HydrophobicContact CB-CG1 3.96Å; M32-V177 HydrophobicContact CB-CG1 4.37Å; M32-V177 HydrophobicContact CE-CG1 4.31Å; M32-V177 HydrophobicContact SD-CG1 3.93Å; Q33-V177 HydrophobicContact CG-CB 4.26Å; Q33-V177 PolarHBondContact NE2-OXT 3.26Å; Y142-V177 HydrophobicContact CD2-CG2 4.36Å; Y142-V177 HydrophobicContact CE2-CG2 3.45Å; Y142-V177 VanDerWaalsContact CE2-CG2 3.45Å; I175-V177 HydrophobicContact CG2-CG1 3.84Å; I175-V177 PolarHBondContact O-N 3.13Å

Retrieved 177 of 177 residues in 37.5 ms (Link to these results)

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