A0A087XFN4_POEFO Loading...

Protein-lysine N-trimethyltransferase SMYD5

AlphaFold DB , UniProt , Accession A0A087XFN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 415 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
1M30.1Very low61.5Low244 Ų24470.5 Ų70.5100%1.20243%0.431SS*.  0100.50-70.9-162.7-95.900106.4A3M1-A3 PolarHBondContact O-N 3.43Å
2A35.4Very low64.2Low88 Ų8865.4 Ų65.473%0.72740%0.4SS*.  trans-68126177.100000107.6F16A2-F16 HydrophobicContact CB-CZ 4.46Å
3A30.7Very low66.4Low63 Ų6367.9 Ų67.952%0.52142%0.415SS..  trans-54.6145.7170.900000108.6M1 V5M1-A3 PolarHBondContact O-N 3.43Å; A3-V5 VanDerWaalsContact C-N 3.33Å; A3-V5 PolarHBondContact O-N 2.7Å
4P44.8Very low68.1Low132 Ų13268.5 Ų68.586%0.85741%0.414SS*.  trans-63.9103175.418.6-13.8000106.5D6P4-D6 PolarHBondContact O-N 3.46Å; P4-D6 VanDerWaalsContact O-N 3.15Å
5V50.2Low69.7Low46 Ų4665.6 Ų65.628%0.27940%0.397SS..  trans-54.1120.3166.9177.20000104.5A3 D7 F9 P15 F16A3-V5 VanDerWaalsContact C-N 3.33Å; A3-V5 PolarHBondContact O-N 2.7Å; V5-D7 PolarHBondContact O-N 2.94Å; V5-F9 HydrophobicContact CG1-CB 3.71Å; V5-P15 HydrophobicContact CB-CB 4.5Å; V5-P15 HydrophobicContact CG1-CB 3.52Å; V5-P15 HydrophobicContact CG1-CG 4.34Å; V5-P15 HydrophobicContact CG2-CB 4.1Å; V5-F16 HydrophobicContact CG2-CE1 4.37Å; V5-F16 HydrophobicContact CG2-CZ 4.18Å
6D59.4Low71Confident89 Ų8969 Ų6948%0.47641%0.406SS..  trans-50.5133.6172.2-179.30.6000107.5P4 M8 F9P4-D6 PolarHBondContact O-N 3.46Å; P4-D6 VanDerWaalsContact O-N 3.15Å; D6-M8 PolarHBondContact O-N 2.82Å; D6-F9 HydrophobicContact CB-CD2 3.94Å; D6-F9 HydrophobicContact CB-CE2 4.3Å; D6-F9 PolarHBondContact O-N 2.76Å
7D75.7Confident72.2Confident24 Ų2470.9 Ų70.913%0.12841%0.407CS..G310 helixtrans-51.7-32.2-164.2-159.5-4.1000111.5V5 F9 S10 H184 L188V5-D7 PolarHBondContact O-N 2.94Å; D7-F9 PolarHBondContact O-N 2.74Å; D7-S10 WeakPolarHBondContact O-CB 3.5Å; D7-S10 PolarHBondContact O-N 3.15Å; D7-S10 PolarHBondContact O-OG 3.32Å; D7-H184 VanDerWaalsContact CG-CE1 3.46Å; D7-H184 IonicContact OD1-CE1 3.64Å; D7-H184 PolarHBondContact OD1-CE1 2.72Å; D7-H184 IonicContact OD1-ND1 2.7Å; D7-H184 PolarHBondContact OD1-ND1 2.89Å; D7-H184 IonicContact OD2-CE1 3.4Å; D7-H184 PolarHBondContact OD2-CE1 3.36Å; D7-H184 IonicContact OD2-ND1 2.86Å; D7-H184 PolarHBondContact OD2-ND1 3.06Å; D7-L188 HydrophobicContact CB-CD2 3.86Å; D7-L188 VanDerWaalsContact OD1-CD2 3.24Å; D7-L188 WeakPolarHBondContact OD1-CD2 3.33Å; D7-L188 WeakPolarHBondContact OD2-CD2 3.31Å
8M81.7Confident73.4Confident14 Ų1467.2 Ų67.27%0.06939%0.387CS..G310 helixtrans-62-33.8177.4-62.4-171.668.400115.2D6 V24 H191 L308 L309D6-M8 PolarHBondContact O-N 2.82Å; M8-V24 HydrophobicContact CE-CG2 4.19Å; M8-H191 HydrophobicContact CE-CB 4.47Å; M8-H191 PolarHBondContact SD-CD2 2.89Å; M8-L308 HydrophobicContact CB-CD1 4.49Å; M8-L308 HydrophobicContact CE-CB 4.39Å; M8-L309 HydrophobicContact CB-CD2 4.23Å; M8-L309 HydrophobicContact CE-CD2 4.37Å
9F89.5Confident74.5Confident12 Ų1266.3 Ų66.35%0.05338%0.382CS..G310 helixtrans-89-7.2-178.2-61.9-91.5000112.7V5 D6 D7 L11 C12 P15 V18 T19 V22 L309V5-F9 HydrophobicContact CG1-CB 3.71Å; D6-F9 HydrophobicContact CB-CD2 3.94Å; D6-F9 HydrophobicContact CB-CE2 4.3Å; D6-F9 PolarHBondContact O-N 2.76Å; D7-F9 PolarHBondContact O-N 2.74Å; F9-L11 PolarHBondContact O-N 2.82Å; F9-L11 VanDerWaalsContact O-N 3.1Å; F9-C12 WeakPolarHBondContact O-CB 3.28Å; F9-C12 PolarHBondContact O-N 3.28Å; F9-P15 HydrophobicContact CB-CB 4.23Å; F9-P15 WeakPolarHBondContact O-CB 3.32Å; F9-P15 WeakPolarHBondContact O-CG 3.39Å; F9-V18 HydrophobicContact CD1-CB 4.19Å; F9-V18 HydrophobicContact CD1-CG1 3.69Å; F9-V18 HydrophobicContact CE1-CG1 3.91Å; F9-T19 WeakPolarHBondContact CD1-OG1 3.37Å; F9-T19 VanDerWaalsContact CG-OG1 3.32Å; F9-T19 WeakPolarHBondContact CG-OG1 3.24Å; F9-V22 HydrophobicContact CE1-CG2 4.15Å; F9-L309 HydrophobicContact CD1-CD1 3.58Å; F9-L309 HydrophobicContact CD1-CD2 4.25Å; F9-L309 HydrophobicContact CE1-CD1 3.86Å; F9-L309 HydrophobicContact CE1-CD2 4.01Å; F9-L309 HydrophobicContact CG-CD1 4.35Å; F9-L309 HydrophobicContact CZ-CD2 4.25Å
10S88Confident75.4Confident52 Ų5266.5 Ų66.536%0.36439%0.388SS..THydrogen-bonded Turntrans-63-18.9-175.470.10000113.9D7D7-S10 WeakPolarHBondContact O-CB 3.5Å; D7-S10 PolarHBondContact O-N 3.15Å; D7-S10 PolarHBondContact O-OG 3.32Å
11L90.9Very high76.4Confident12 Ų1263.4 Ų63.46%0.06337%0.37CS..THydrogen-bonded Turntrans-91.6-3.1178.2-63.4175.9000113.8F9 E50 R51 L53 L308F9-L11 PolarHBondContact O-N 2.82Å; F9-L11 VanDerWaalsContact O-N 3.1Å; L11-E50 HydrophobicContact CB-CG 4.36Å; L11-R51 WeakPolarHBondContact CB-O 3.18Å; L11-R51 PolarHBondContact O-N 3.01Å; L11-L53 HydrophobicContact CD1-CD1 3.24Å; L11-L53 HydrophobicContact CD1-CG 3.77Å; L11-L308 HydrophobicContact CD1-CD1 3.98Å; L11-L308 HydrophobicContact CD1-CG 4.44Å
12C94.4Very high79.6Confident9 Ų951.8 Ų51.86%0.06131%0.312CS..BIsolated β-bridgetrans-77.1148173.7-61.40000111.6F9 D14 P15 V18 I49 L309F9-C12 WeakPolarHBondContact O-CB 3.28Å; F9-C12 PolarHBondContact O-N 3.28Å; C12-D14 VanDerWaalsContact C-N 3.26Å; C12-D14 PolarHBondContact O-N 3.3Å; C12-P15 HydrophobicContact CB-CG 4.38Å; C12-P15 WeakPolarHBondContact O-CD 3.48Å; C12-P15 WeakPolarHBondContact O-CG 3.43Å; C12-V18 HydrophobicContact CB-CB 4.37Å; C12-V18 HydrophobicContact CB-CG2 3.97Å; C12-I49 CarbonylContact C-O 3.48Å; C12-I49 VanDerWaalsContact CA-O 3.23Å; C12-I49 WeakPolarHBondContact CA-O 3.48Å; C12-L309 WeakPolarHBondContact SG-CD1 3.23Å
13V92Very high82.5Confident98 Ų9850.9 Ų50.959%0.59429%0.293SS*.SBendtrans-62.6-35.2174.5175.70000111.6I49V13-I49 HydrophobicContact CB-CB 4.2Å; V13-I49 HydrophobicContact CB-CG2 4.42Å; V13-I49 HydrophobicContact CG2-CB 3.87Å; V13-I49 HydrophobicContact CG2-CG2 3.56Å; V13-I49 PolarHBondContact N-O 3.38Å
14D91.3Very high85.5Confident76 Ų7649.9 Ų49.941%0.40628%0.281SS..SBendtrans-132.484.5173.2-173.5-17.1000110.5C12 F16 K17 V18C12-D14 VanDerWaalsContact C-N 3.26Å; C12-D14 PolarHBondContact O-N 3.3Å; D14-F16 VanDerWaalsContact C-N 3.28Å; D14-F16 PolarHBondContact O-N 2.85Å; D14-F16 PolarHBondContact OD1-N 3.18Å; D14-K17 HydrophobicContact CB-CB 3.97Å; D14-K17 PolarHBondContact O-N 3.24Å; D14-K17 WeakPolarHBondContact OD1-CB 3.44Å; D14-K17 PolarHBondContact OD1-N 3.29Å; D14-K17 VanDerWaalsContact OD2-CB 3.27Å; D14-K17 WeakPolarHBondContact OD2-CB 3.45Å; D14-V18 VanDerWaalsContact O-CG2 3.3Å; D14-V18 WeakPolarHBondContact O-CG2 3.44Å; D14-V18 PolarHBondContact O-N 3.27Å
15P92.1Very high87.9Confident25 Ų2547.2 Ų47.216%0.16226%0.257CS..Hα-helixtrans-59.8-37.6-175.3-2534.6000113.2V5 F9 C12 V18 T19V5-P15 HydrophobicContact CB-CB 4.5Å; V5-P15 HydrophobicContact CG1-CB 3.52Å; V5-P15 HydrophobicContact CG1-CG 4.34Å; V5-P15 HydrophobicContact CG2-CB 4.1Å; F9-P15 HydrophobicContact CB-CB 4.23Å; F9-P15 WeakPolarHBondContact O-CB 3.32Å; F9-P15 WeakPolarHBondContact O-CG 3.39Å; C12-P15 HydrophobicContact CB-CG 4.38Å; C12-P15 WeakPolarHBondContact O-CD 3.48Å; C12-P15 WeakPolarHBondContact O-CG 3.43Å; P15-V18 PolarHBondContact O-N 3.4Å; P15-T19 WeakPolarHBondContact O-CB 3.5Å; P15-T19 PolarHBondContact O-N 2.87Å; P15-T19 PolarHBondContact O-OG1 2.96Å
16F89.8Confident89.9Confident120 Ų12051.1 Ų51.153%0.52627%0.27SS..Hα-helixtrans-66-44.8-179.3-67.1-72.7000111.6A2 V5 D14 V18 S20A2-F16 HydrophobicContact CB-CZ 4.46Å; V5-F16 HydrophobicContact CG2-CE1 4.37Å; V5-F16 HydrophobicContact CG2-CZ 4.18Å; D14-F16 VanDerWaalsContact C-N 3.28Å; D14-F16 PolarHBondContact O-N 2.85Å; D14-F16 PolarHBondContact OD1-N 3.18Å; F16-V18 VanDerWaalsContact C-N 3.34Å; F16-S20 PolarHBondContact O-N 3.06Å; F16-S20 PolarHBondContact O-OG 3.32Å
17K92.1Very high91.4Very high101 Ų10149.6 Ų49.644%0.43926%0.261SS..Hα-helixtrans-61.7-44.3174.6-177.6-176.4175.8-169.20110.9D14 S20 T21D14-K17 HydrophobicContact CB-CB 3.97Å; D14-K17 PolarHBondContact O-N 3.24Å; D14-K17 WeakPolarHBondContact OD1-CB 3.44Å; D14-K17 PolarHBondContact OD1-N 3.29Å; D14-K17 VanDerWaalsContact OD2-CB 3.27Å; D14-K17 WeakPolarHBondContact OD2-CB 3.45Å; K17-S20 PolarHBondContact O-N 3.16Å; K17-S20 PolarHBondContact O-OG 3.08Å; K17-T21 WeakPolarHBondContact O-CB 3.18Å; K17-T21 PolarHBondContact O-N 2.87Å; K17-T21 PolarHBondContact O-OG1 2.87Å
18V93.3Very high91.9Very high5 Ų551.2 Ų51.23%0.0327%0.27CS..Hα-helixtrans-66.4-45.3-178.2-179.70000111.3F9 C12 D14 P15 F16 S20 T21 V22 L48 L309F9-V18 HydrophobicContact CD1-CB 4.19Å; F9-V18 HydrophobicContact CD1-CG1 3.69Å; F9-V18 HydrophobicContact CE1-CG1 3.91Å; C12-V18 HydrophobicContact CB-CB 4.37Å; C12-V18 HydrophobicContact CB-CG2 3.97Å; D14-V18 VanDerWaalsContact O-CG2 3.3Å; D14-V18 WeakPolarHBondContact O-CG2 3.44Å; D14-V18 PolarHBondContact O-N 3.27Å; P15-V18 PolarHBondContact O-N 3.4Å; F16-V18 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 2.87Å; V18-S20 VanDerWaalsContact O-N 3.16Å; V18-T21 WeakPolarHBondContact O-CA 3.43Å; V18-T21 PolarHBondContact O-N 2.79Å; V18-V22 HydrophobicContact CG1-CG2 3.65Å; V18-V22 PolarHBondContact O-N 2.65Å; V18-L48 HydrophobicContact CG1-CB 3.85Å; V18-L48 HydrophobicContact CG1-CD2 4.24Å; V18-L48 HydrophobicContact CG2-CB 3.74Å; V18-L309 HydrophobicContact CG1-CD1 3.82Å
19T93.3Very high91.8Very high50 Ų5055.3 Ų55.331%0.30729%0.292SS..Hα-helixtrans-62.5-23.6175.9-55.80000113.4F9 P15 K38F9-T19 WeakPolarHBondContact CD1-OG1 3.37Å; F9-T19 VanDerWaalsContact CG-OG1 3.32Å; F9-T19 WeakPolarHBondContact CG-OG1 3.24Å; P15-T19 WeakPolarHBondContact O-CB 3.5Å; P15-T19 PolarHBondContact O-N 2.87Å; P15-T19 PolarHBondContact O-OG1 2.96Å; T19-K38 WeakPolarHBondContact O-CD 3.35Å; T19-K38 PolarHBondContact O-NZ 3.47Å
20S93.3Very high91.3Very high70 Ų7059 Ų5949%0.4931%0.311SS..Hα-helixtrans-84.4-17.6171.875.90000113.8F16 K17 V18F16-S20 PolarHBondContact O-N 3.06Å; F16-S20 PolarHBondContact O-OG 3.32Å; K17-S20 PolarHBondContact O-N 3.16Å; K17-S20 PolarHBondContact O-OG 3.08Å; V18-S20 PolarHBondContact O-N 2.87Å; V18-S20 VanDerWaalsContact O-N 3.16Å
21T96.4Very high91Very high1 Ų161.1 Ų61.11%0.00631%0.314CS..Hα-helixtrans-99.7-38.5-175.3-600000112.4K17 V18 K38 R39 I41K17-T21 WeakPolarHBondContact O-CB 3.18Å; K17-T21 PolarHBondContact O-N 2.87Å; K17-T21 PolarHBondContact O-OG1 2.87Å; V18-T21 WeakPolarHBondContact O-CA 3.43Å; V18-T21 PolarHBondContact O-N 2.79Å; T21-K38 PolarHBondContact O-N 2.83Å; T21-R39 PolarHBondContact OG1-NE 2.92Å; T21-R39 PolarHBondContact OG1-NH2 2.96Å; T21-I41 HydrophobicContact CG2-CD1 3.8Å; T21-I41 HydrophobicContact CG2-CG1 4.25Å
22V97.1Very high90.9Very high0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-135.7161.3-176.9-57.70000112.2F9 V18 L35 F36 K38 I47 L48 I346F9-V22 HydrophobicContact CE1-CG2 4.15Å; V18-V22 HydrophobicContact CG1-CG2 3.65Å; V18-V22 PolarHBondContact O-N 2.65Å; V22-L35 HydrophobicContact CB-CD1 4Å; V22-L35 HydrophobicContact CB-CD2 4.5Å; V22-L35 HydrophobicContact CB-CG 4.17Å; V22-L35 HydrophobicContact CG1-CD2 4.45Å; V22-L35 HydrophobicContact CG2-CD1 3.89Å; V22-L35 HydrophobicContact CG2-CG 4.45Å; V22-F36 CarbonylContact C-O 3.44Å; V22-F36 WeakPolarHBondContact CA-O 3.45Å; V22-F36 WeakPolarHBondContact CB-O 3.46Å; V22-K38 VanDerWaalsContact O-CD 3.31Å; V22-K38 WeakPolarHBondContact O-CD 3.36Å; V22-I47 HydrophobicContact CG1-CG2 3.49Å; V22-I47 VanDerWaalsContact CG1-CG2 3.49Å; V22-L48 HydrophobicContact CG2-CD2 4.41Å; V22-I346 HydrophobicContact CB-CD1 4.49Å; V22-I346 HydrophobicContact CG1-CD1 3.53Å
23E95.9Very high90.8Very high70 Ų7064.5 Ų64.533%0.32733%0.332SS..EExtended strand (participates in β ladder)trans-141.1152169.656.2-169.9-17500111.1Q25 F36 K38E23-Q25 HydrophobicContact CG-CG 4.14Å; E23-Q25 PolarHBondContact OE1-NE2 2.94Å; E23-F36 HydrophobicContact CG-CB 4.29Å; E23-F36 PolarHBondContact N-O 3.49Å; E23-F36 PolarHBondContact O-N 2.88Å; E23-K38 HydrophobicContact CB-CD 3.99Å; E23-K38 HydrophobicContact CB-CG 4.11Å; E23-K38 HydrophobicContact CG-CD 4.2Å; E23-K38 HydrophobicContact CG-CG 3.79Å
24V94.9Very high90.9Very high42 Ų4259.9 Ų59.926%0.25530%0.304SS..EExtended strand (participates in β ladder)trans-93.6126.4171.9-179.90000108.1M8 K33 G34 L35 L309M8-V24 HydrophobicContact CE-CG2 4.19Å; V24-K33 HydrophobicContact CG1-CB 3.98Å; V24-K33 HydrophobicContact CG1-CD 4.04Å; V24-K33 HydrophobicContact CG1-CG 4.35Å; V24-G34 WeakPolarHBondContact CA-O 3.34Å; V24-L35 HydrophobicContact CG2-CD1 3.86Å; V24-L309 HydrophobicContact CG2-CD2 3.91Å
25Q93.8Very high91.2Very high76 Ų7656.2 Ų56.236%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-120.2147.7176.5-55.8-175.513.200110E23 K33 G34 F36E23-Q25 HydrophobicContact CG-CG 4.14Å; E23-Q25 PolarHBondContact OE1-NE2 2.94Å; Q25-K33 CarbonylContact O-C 3.52Å; Q25-K33 VanDerWaalsContact O-CA 3.24Å; Q25-K33 WeakPolarHBondContact O-CA 3.3Å; Q25-G34 PolarHBondContact N-O 2.81Å; Q25-G34 PolarHBondContact O-N 2.9Å; Q25-F36 HydrophobicContact CB-CD2 3.71Å; Q25-F36 HydrophobicContact CB-CE2 3.79Å; Q25-F36 HydrophobicContact CG-CB 4.49Å; Q25-F36 HydrophobicContact CG-CD2 3.71Å; Q25-F36 HydrophobicContact CG-CE2 4.26Å; Q25-F36 HydrophobicContact CG-CG 4.24Å
26F92.8Very high91.5Very high128 Ų12856.2 Ų56.256%0.56128%0.282SS*.EExtended strand (participates in β ladder)trans-83.5124.1167.2-179.3-98.3000108.7D28F26-D28 WeakPolarHBondContact CE2-O 3.4Å; F26-D28 WeakPolarHBondContact CZ-O 3.17Å
27I90.5Very high91.9Very high56 Ų5650.6 Ų50.629%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-88.5-65.4-178.8-57.6175.3000109.1K31 G32 F36 E345I27-K31 HydrophobicContact CB-CB 4.38Å; I27-K31 HydrophobicContact CD1-CB 4.4Å; I27-K31 HydrophobicContact CD1-CD 4.35Å; I27-K31 HydrophobicContact CG2-CB 4.42Å; I27-K31 HydrophobicContact CG2-CD 4.26Å; I27-G32 PolarHBondContact N-O 2.77Å; I27-F36 HydrophobicContact CD1-CE2 4.1Å; I27-F36 HydrophobicContact CD1-CZ 3.93Å; I27-F36 HydrophobicContact CG1-CE2 3.99Å; I27-F36 HydrophobicContact CG1-CZ 3.95Å; I27-E345 VanDerWaalsContact CD1-OE1 3.3Å; I27-E345 WeakPolarHBondContact CD1-OE1 3.26Å
28D87Confident92.2Very high59 Ų5950.3 Ų50.332%0.31626%0.256SS..EExtended strand (participates in β ladder)trans-163.8-178.418059.647.4000111F26 I30 K31 G32F26-D28 WeakPolarHBondContact CE2-O 3.4Å; F26-D28 WeakPolarHBondContact CZ-O 3.17Å; D28-I30 PolarHBondContact O-N 2.77Å; D28-I30 WeakPolarHBondContact OD1-CA 3.35Å; D28-I30 WeakPolarHBondContact OD1-CB 3.33Å; D28-I30 PolarHBondContact OD1-N 3.05Å; D28-K31 PolarHBondContact OD1-N 2.8Å; D28-G32 WeakPolarHBondContact O-CA 3.43Å; D28-G32 PolarHBondContact O-N 2.83Å
29N80.3Confident92.4Very high100 Ų10053.7 Ų53.754%0.53527%0.268SS..THydrogen-bonded Turntrans-71.3-17.9-179.5-70.5-29.2000114R195N29-R195 PolarHBondContact O-NH1 3.24Å; N29-R195 PolarHBondContact O-NH2 3.06Å; N29-R195 VanDerWaalsContact O-NH2 3.16Å
30I77.6Confident92.6Very high88 Ų8854.9 Ų54.945%0.45128%0.279SS..THydrogen-bonded Turntrans-87.9-59.3-176.2-61.3169.9000109.5D28 E200D28-I30 PolarHBondContact O-N 2.77Å; D28-I30 WeakPolarHBondContact OD1-CA 3.35Å; D28-I30 WeakPolarHBondContact OD1-CB 3.33Å; D28-I30 PolarHBondContact OD1-N 3.05Å; I30-E200 WeakPolarHBondContact CG1-OE2 3.29Å
31K81.9Confident92.8Very high97 Ų9751.6 Ų51.642%0.42226%0.256SS..THydrogen-bonded Turntrans-77-25.2178-71.2-171.1172.7-170.60112.9I27 D28 K33I27-K31 HydrophobicContact CB-CB 4.38Å; I27-K31 HydrophobicContact CD1-CB 4.4Å; I27-K31 HydrophobicContact CD1-CD 4.35Å; I27-K31 HydrophobicContact CG2-CB 4.42Å; I27-K31 HydrophobicContact CG2-CD 4.26Å; D28-K31 PolarHBondContact OD1-N 2.8Å; K31-K33 PolarHBondContact O-N 2.73Å
32G88.4Confident92.9Very high17 Ų1757.3 Ų57.318%0.17528%0.281CS..EExtended strand (participates in β ladder)trans73-122.3-176.500000111.8I27 D28I27-G32 PolarHBondContact N-O 2.77Å; D28-G32 WeakPolarHBondContact O-CA 3.43Å; D28-G32 PolarHBondContact O-N 2.83Å
33K92Very high93Very high76 Ų7664.5 Ų64.533%0.3331%0.312SS..EExtended strand (participates in β ladder)trans-94.9156.6-178.2-60.4173.5-170.2165.50110.4V24 Q25 K31 H191 N314V24-K33 HydrophobicContact CG1-CB 3.98Å; V24-K33 HydrophobicContact CG1-CD 4.04Å; V24-K33 HydrophobicContact CG1-CG 4.35Å; Q25-K33 CarbonylContact O-C 3.52Å; Q25-K33 VanDerWaalsContact O-CA 3.24Å; Q25-K33 WeakPolarHBondContact O-CA 3.3Å; K31-K33 PolarHBondContact O-N 2.73Å; K33-H191 PolarHBondContact NZ-O 2.8Å; K33-H191 VanDerWaalsContact NZ-O 3.11Å; K33-N314 PolarHBondContact O-ND2 3.45Å
34G94.9Very high93.1Very high0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-136.4154.9170.600000111V24 Q25 F36 S312V24-G34 WeakPolarHBondContact CA-O 3.34Å; Q25-G34 PolarHBondContact N-O 2.81Å; Q25-G34 PolarHBondContact O-N 2.9Å; G34-F36 WeakPolarHBondContact O-CD2 3.27Å; G34-S312 CarbonylContact C-O 3.52Å; G34-S312 VanDerWaalsContact CA-O 3.24Å; G34-S312 WeakPolarHBondContact CA-O 3.27Å
35L97.4Very high93.2Very high0 Ų064.5 Ų64.50%033%0.325CS..EExtended strand (participates in β ladder)trans-95128.2170.7-167.372.6000109.2V22 V24 L48 S312 C313 L334 I346V22-L35 HydrophobicContact CB-CD1 4Å; V22-L35 HydrophobicContact CB-CD2 4.5Å; V22-L35 HydrophobicContact CB-CG 4.17Å; V22-L35 HydrophobicContact CG1-CD2 4.45Å; V22-L35 HydrophobicContact CG2-CD1 3.89Å; V22-L35 HydrophobicContact CG2-CG 4.45Å; V24-L35 HydrophobicContact CG2-CD1 3.86Å; L35-L48 HydrophobicContact CD2-CD2 4.1Å; L35-S312 PolarHBondContact N-O 3.35Å; L35-C313 VanDerWaalsContact CD2-SG 3.53Å; L35-L334 HydrophobicContact CD2-CD2 3.99Å; L35-I346 HydrophobicContact CB-CB 4.43Å; L35-I346 HydrophobicContact CD2-CB 4.4Å; L35-I346 HydrophobicContact CD2-CD1 4.1Å; L35-I346 HydrophobicContact CD2-CG2 4.49Å; L35-I346 HydrophobicContact CG-CD1 4.23Å; L35-I346 PolarHBondContact O-N 2.7Å
36F98.3Very high93.4Very high25 Ų2563.1 Ų63.111%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-123.9143.9-176-69.9-97.4000111.2V22 E23 Q25 I27 G34 E344 E345V22-F36 CarbonylContact C-O 3.44Å; V22-F36 WeakPolarHBondContact CA-O 3.45Å; V22-F36 WeakPolarHBondContact CB-O 3.46Å; E23-F36 HydrophobicContact CG-CB 4.29Å; E23-F36 PolarHBondContact N-O 3.49Å; E23-F36 PolarHBondContact O-N 2.88Å; Q25-F36 HydrophobicContact CB-CD2 3.71Å; Q25-F36 HydrophobicContact CB-CE2 3.79Å; Q25-F36 HydrophobicContact CG-CB 4.49Å; Q25-F36 HydrophobicContact CG-CD2 3.71Å; Q25-F36 HydrophobicContact CG-CE2 4.26Å; Q25-F36 HydrophobicContact CG-CG 4.24Å; I27-F36 HydrophobicContact CD1-CE2 4.1Å; I27-F36 HydrophobicContact CD1-CZ 3.93Å; I27-F36 HydrophobicContact CG1-CE2 3.99Å; I27-F36 HydrophobicContact CG1-CZ 3.95Å; G34-F36 WeakPolarHBondContact O-CD2 3.27Å; F36-E344 WeakPolarHBondContact CA-O 3.13Å; F36-E345 HydrophobicContact CD1-CB 4.02Å; F36-E345 HydrophobicContact CE1-CB 3.62Å; F36-E345 HydrophobicContact CE1-CG 4.03Å; F36-E345 HydrophobicContact CE2-CG 4.35Å; F36-E345 HydrophobicContact CZ-CB 4.04Å; F36-E345 HydrophobicContact CZ-CG 3.93Å
37A98.3Very high93.6Very high1 Ų157.1 Ų57.11%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-76.8129.617600000111R39 I41 I340 G343 E344 I346A37-R39 WeakPolarHBondContact CB-O 3.46Å; A37-I41 HydrophobicContact CB-CD1 3.96Å; A37-I340 HydrophobicContact CB-CG2 3.79Å; A37-G343 PolarHBondContact O-N 3.37Å; A37-E344 PolarHBondContact N-O 2.88Å; A37-I346 HydrophobicContact CB-CD1 4.25Å; A37-I346 HydrophobicContact CB-CG1 4.43Å
38K97.8Very high94Very high96 Ų9654.7 Ų54.742%0.41728%0.283SS..SBendtrans-86.8-13.7175.3-65179.375.5165.20113.4T19 T21 V22 E23T19-K38 WeakPolarHBondContact O-CD 3.35Å; T19-K38 PolarHBondContact O-NZ 3.47Å; T21-K38 PolarHBondContact O-N 2.83Å; V22-K38 VanDerWaalsContact O-CD 3.31Å; V22-K38 WeakPolarHBondContact O-CD 3.36Å; E23-K38 HydrophobicContact CB-CD 3.99Å; E23-K38 HydrophobicContact CB-CG 4.11Å; E23-K38 HydrophobicContact CG-CD 4.2Å; E23-K38 HydrophobicContact CG-CG 3.79Å
39R97.7Very high94.5Very high75 Ų7554 Ų5428%0.28328%0.279SS..SBendtrans-143.8169.3178.361.6166.2177.492-2.8109.2T21 A37 E45T21-R39 PolarHBondContact OG1-NE 2.92Å; T21-R39 PolarHBondContact OG1-NH2 2.96Å; A37-R39 WeakPolarHBondContact CB-O 3.46Å; R39-E45 IonicContact CZ-OE1 2.74Å; R39-E45 IonicContact NH1-OE1 3.74Å; R39-E45 PolarHBondContact NH1-OE1 3.39Å; R39-E45 IonicContact NH1-OE2 3.19Å; R39-E45 PolarHBondContact NH1-OE2 3.22Å; R39-E45 IonicContact NH2-OE1 2.83Å; R39-E45 PolarHBondContact NH2-OE1 3.34Å
40S98.2Very high95.3Very high76 Ų7649.2 Ų49.253%0.53125%0.253SS..  trans-64.5138.5167.3-58.10000111.2I340S40-I340 CarbonylContact C-O 3.57Å; S40-I340 VanDerWaalsContact CA-O 3.28Å; S40-I340 WeakPolarHBondContact CA-O 3.47Å
41I98.5Very high96.2Very high1 Ų149.3 Ų49.31%0.00525%0.248CC..BIsolated β-bridgetrans-124.7135.9177.9-55.8174.9000107.1T21 A37 E45 I47 A336 D339 I340 I346T21-I41 HydrophobicContact CG2-CD1 3.8Å; T21-I41 HydrophobicContact CG2-CG1 4.25Å; A37-I41 HydrophobicContact CB-CD1 3.96Å; I41-E45 HydrophobicContact CG2-CB 3.87Å; I41-E45 HydrophobicContact CG2-CG 4.22Å; I41-I47 HydrophobicContact CD1-CG1 4.13Å; I41-I47 HydrophobicContact CD1-CG2 4.18Å; I41-I47 HydrophobicContact CG2-CG1 4.1Å; I41-A336 HydrophobicContact CG2-CB 3.89Å; I41-D339 WeakPolarHBondContact O-CA 3.4Å; I41-I340 HydrophobicContact CB-CB 4.23Å; I41-I340 PolarHBondContact N-O 3.07Å; I41-I340 PolarHBondContact O-N 3.25Å; I41-I346 HydrophobicContact CD1-CD1 4.41Å
42K98.5Very high96.9Very high120 Ų12044.9 Ų44.952%0.52223%0.229SC..  trans-91.5150.2-177.9-67.8-62.4179.4179.80112.1G44 E45 A336 D339K42-G44 PolarHBondContact O-N 2.99Å; K42-E45 PolarHBondContact N-OE2 2.87Å; K42-E45 VanDerWaalsContact N-OE2 3.08Å; K42-E45 WeakPolarHBondContact O-CB 3.37Å; K42-E45 PolarHBondContact O-N 3.02Å; K42-A336 WeakPolarHBondContact O-CB 3.33Å; K42-D339 WeakPolarHBondContact CD-OD1 3.34Å; K42-D339 WeakPolarHBondContact CD-OD2 3.37Å; K42-D339 IonicContact NZ-OD2 2.72Å; K42-D339 PolarHBondContact NZ-OD2 3.41Å
43K98.3Very high97.2Very high152 Ų15244.1 Ų44.166%0.66122%0.221SC*.THydrogen-bonded Turntrans-49.6132.2170.4177.8173.7-179.1179.10110.6E45 L337 D339K43-E45 VanDerWaalsContact C-N 3.28Å; K43-L337 WeakPolarHBondContact CD-O 3.42Å; K43-L337 VanDerWaalsContact CE-O 3.29Å; K43-L337 WeakPolarHBondContact CE-O 3.24Å; K43-L337 WeakPolarHBondContact CG-O 3.3Å; K43-D339 PolarHBondContact N-OD1 3.3Å
44G97.1Very high97.4Very high58 Ų5840.6 Ų40.660%0.59821%0.206SC*.THydrogen-bonded Turntrans82.5-4.3-178.300000114.5K42 A336K42-G44 PolarHBondContact O-N 2.99Å; G44-A336 PolarHBondContact N-O 2.86Å
45E97.9Very high97.5Very high53 Ų5340.9 Ų40.925%0.24821%0.207CC..  trans-75.9134.6176.2-168.2-176.4159.500111R39 I41 K42 K43 I47 A336R39-E45 IonicContact CZ-OE1 2.74Å; R39-E45 IonicContact NH1-OE1 3.74Å; R39-E45 PolarHBondContact NH1-OE1 3.39Å; R39-E45 IonicContact NH1-OE2 3.19Å; R39-E45 PolarHBondContact NH1-OE2 3.22Å; R39-E45 IonicContact NH2-OE1 2.83Å; R39-E45 PolarHBondContact NH2-OE1 3.34Å; I41-E45 HydrophobicContact CG2-CB 3.87Å; I41-E45 HydrophobicContact CG2-CG 4.22Å; K42-E45 PolarHBondContact N-OE2 2.87Å; K42-E45 VanDerWaalsContact N-OE2 3.08Å; K42-E45 WeakPolarHBondContact O-CB 3.37Å; K42-E45 PolarHBondContact O-N 3.02Å; K43-E45 VanDerWaalsContact C-N 3.28Å; E45-I47 PolarHBondContact O-N 2.91Å; E45-A336 PolarHBondContact O-N 3.1Å
46T98Very high97.4Very high47 Ų4741.4 Ų41.429%0.28821%0.211SC..EExtended strand (participates in β ladder)trans-74.1114169.7-52.20000110.3I49 N335T46-I49 HydrophobicContact CG2-CD1 4.3Å; T46-I49 HydrophobicContact CG2-CG1 3.72Å; T46-N335 WeakPolarHBondContact CA-OD1 3.33Å; T46-N335 WeakPolarHBondContact CB-OD1 3.37Å; T46-N335 PolarHBondContact OG1-OD1 3.24Å
47I98.1Very high97.3Very high3 Ų341.8 Ų41.82%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-70-51.3-179.2-59.1171.7000110V22 I41 E45 A321 L334 A336 I340 I346V22-I47 HydrophobicContact CG1-CG2 3.49Å; V22-I47 VanDerWaalsContact CG1-CG2 3.49Å; I41-I47 HydrophobicContact CD1-CG1 4.13Å; I41-I47 HydrophobicContact CD1-CG2 4.18Å; I41-I47 HydrophobicContact CG2-CG1 4.1Å; E45-I47 PolarHBondContact O-N 2.91Å; I47-A321 HydrophobicContact CD1-CB 3.83Å; I47-L334 HydrophobicContact CB-CB 4.41Å; I47-L334 HydrophobicContact CB-CD2 4.32Å; I47-L334 HydrophobicContact CB-CG 4.44Å; I47-L334 WeakPolarHBondContact CB-O 3.34Å; I47-L334 HydrophobicContact CD1-CD2 4.26Å; I47-L334 HydrophobicContact CD1-CG 4.21Å; I47-L334 HydrophobicContact CG2-CD2 4.24Å; I47-L334 PolarHBondContact N-O 2.9Å; I47-A336 HydrophobicContact CD1-CB 4.22Å; I47-A336 HydrophobicContact CG1-CB 4.34Å; I47-I340 HydrophobicContact CD1-CD1 4Å; I47-I346 HydrophobicContact CD1-CD1 4.36Å; I47-I346 HydrophobicContact CD1-CG2 3.98Å; I47-I346 HydrophobicContact CG2-CD1 4.01Å
48L97.5Very high97Very high4 Ų442.1 Ų42.12%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-152.8158178.560.783000111V18 V22 L35 E50 L309 L332 L334V18-L48 HydrophobicContact CG1-CB 3.85Å; V18-L48 HydrophobicContact CG1-CD2 4.24Å; V18-L48 HydrophobicContact CG2-CB 3.74Å; V22-L48 HydrophobicContact CG2-CD2 4.41Å; L35-L48 HydrophobicContact CD2-CD2 4.1Å; L48-E50 HydrophobicContact CD1-CB 3.87Å; L48-L309 HydrophobicContact CD2-CB 3.95Å; L48-L309 HydrophobicContact CD2-CD1 4.02Å; L48-L332 HydrophobicContact CD1-CD2 4.31Å; L48-L334 HydrophobicContact CD1-CB 3.85Å; L48-L334 HydrophobicContact CD1-CD2 4.49Å; L48-L334 HydrophobicContact CD2-CD2 4.07Å; L48-L334 HydrophobicContact CG-CB 3.85Å; L48-L334 HydrophobicContact CG-CD2 4.05Å; L48-L334 PolarHBondContact O-N 2.96Å
49I97.9Very high96.7Very high45 Ų4538.1 Ų38.123%0.23120%0.198CC..EExtended strand (participates in β ladder)trans-124.5120.9167.9-53.7172.6000106.9C12 V13 T46 L331 L332C12-I49 CarbonylContact C-O 3.48Å; C12-I49 VanDerWaalsContact CA-O 3.23Å; C12-I49 WeakPolarHBondContact CA-O 3.48Å; V13-I49 HydrophobicContact CB-CB 4.2Å; V13-I49 HydrophobicContact CB-CG2 4.42Å; V13-I49 HydrophobicContact CG2-CB 3.87Å; V13-I49 HydrophobicContact CG2-CG2 3.56Å; V13-I49 PolarHBondContact N-O 3.38Å; T46-I49 HydrophobicContact CG2-CD1 4.3Å; T46-I49 HydrophobicContact CG2-CG1 3.72Å; I49-L331 HydrophobicContact CG2-CB 4.31Å; I49-L332 CarbonylContact C-O 3.59Å; I49-L332 VanDerWaalsContact CA-O 3.25Å; I49-L332 WeakPolarHBondContact CA-O 3.07Å
50E97Very high96.3Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-126.8138.2-171.8-174.7177.1-162.700111.5L11 L48 Y307 L308 L309 Q310 L332L11-E50 HydrophobicContact CB-CG 4.36Å; L48-E50 HydrophobicContact CD1-CB 3.87Å; E50-Y307 HydrophobicContact CB-CD1 4.29Å; E50-Y307 HydrophobicContact CG-CD1 4.03Å; E50-Y307 WeakPolarHBondContact O-CE1 3.37Å; E50-L308 WeakPolarHBondContact OE1-CA 3.4Å; E50-L308 PolarHBondContact OE1-N 2.79Å; E50-L309 PolarHBondContact OE1-N 3.04Å; E50-L309 PolarHBondContact OE2-N 3.02Å; E50-Q310 PolarHBondContact OE2-N 3.07Å; E50-L332 PolarHBondContact N-O 3.39Å; E50-L332 PolarHBondContact O-N 2.85Å
51R96.6Very high95.9Very high90 Ų9034.2 Ų34.234%0.3417%0.174SC..  trans-92.5142.7168.3-178.5-177.456.8174.1-7.9109.3L11 Y71 F330 L331L11-R51 WeakPolarHBondContact CB-O 3.18Å; L11-R51 PolarHBondContact O-N 3.01Å; R51-Y71 PolarHBondContact NH1-OH 3.34Å; R51-F330 HydrophobicContact CG-CD2 4.48Å; R51-F330 HydrophobicContact CG-CE1 4.05Å; R51-F330 HydrophobicContact CG-CE2 3.94Å; R51-F330 HydrophobicContact CG-CZ 3.69Å; R51-L331 HydrophobicContact CB-CD2 3.94Å; R51-L331 HydrophobicContact CG-CD2 4.4Å
52P96.6Very high95.5Very high3 Ų336.9 Ų36.92%0.01919%0.193CC..  trans-70.4157.3176.931.2-36.7000111.3V54 L306 Y307 F330P52-V54 VanDerWaalsContact C-N 3.32Å; P52-V54 WeakPolarHBondContact CB-O 3.29Å; P52-L306 CarbonylContact C-O 3.59Å; P52-L306 WeakPolarHBondContact CA-O 3.3Å; P52-L306 WeakPolarHBondContact CB-O 3.34Å; P52-Y307 HydrophobicContact CB-CD1 4.08Å; P52-Y307 HydrophobicContact CB-CD2 4.28Å; P52-Y307 HydrophobicContact CB-CE1 3.76Å; P52-Y307 HydrophobicContact CB-CE2 3.98Å; P52-Y307 HydrophobicContact CB-CG 4.32Å; P52-Y307 VanDerWaalsContact CD-CE1 3.41Å; P52-Y307 HydrophobicContact CG-CE1 4.04Å; P52-F330 WeakPolarHBondContact CD-O 3.38Å; P52-F330 HydrophobicContact CG-CB 3.94Å; P52-F330 HydrophobicContact CG-CD2 3.53Å; P52-F330 HydrophobicContact CG-CE2 4.3Å; P52-F330 HydrophobicContact CG-CG 3.95Å
53L95Very high95Very high1 Ų134.8 Ų34.81%0.00519%0.187CC..SBendtrans-61.3-46.6165.6-94.890.1000111.4L11 Q129 W185 L188 F189 F192 L306 L308L11-L53 HydrophobicContact CD1-CD1 3.24Å; L11-L53 HydrophobicContact CD1-CG 3.77Å; L53-Q129 PolarHBondContact O-NE2 2.78Å; L53-W185 HydrophobicContact CD2-CE3 4.1Å; L53-W185 HydrophobicContact CD2-CZ3 4.14Å; L53-W185 HydrophobicContact CG-CZ3 4.25Å; L53-L188 HydrophobicContact CD2-CB 3.65Å; L53-L188 HydrophobicContact CD2-CD1 4.16Å; L53-F189 HydrophobicContact CB-CE1 4.04Å; L53-F189 HydrophobicContact CD2-CD1 3.79Å; L53-F189 HydrophobicContact CD2-CE1 3.52Å; L53-F189 HydrophobicContact CD2-CG 4.4Å; L53-F189 HydrophobicContact CD2-CZ 3.93Å; L53-F189 HydrophobicContact CG-CE1 4.41Å; L53-F192 HydrophobicContact CD1-CE2 4.19Å; L53-F192 HydrophobicContact CD1-CZ 4.07Å; L53-F192 HydrophobicContact CD2-CE2 4.49Å; L53-L306 PolarHBondContact N-O 2.76Å; L53-L308 HydrophobicContact CD1-CD1 3.64Å; L53-L308 HydrophobicContact CD1-CD2 3.8Å; L53-L308 HydrophobicContact CD1-CG 3.33Å
54V96.2Very high94.5Very high3 Ų333.5 Ų33.52%0.01818%0.179CC..  trans-146.4145.7179.8-70.50000108.1P52 L168 K171 M172 V175 F189 G305 L306P52-V54 VanDerWaalsContact C-N 3.32Å; P52-V54 WeakPolarHBondContact CB-O 3.29Å; V54-L168 HydrophobicContact CB-CD1 4.19Å; V54-L168 HydrophobicContact CG2-CD1 3.82Å; V54-L168 HydrophobicContact CG2-CG 3.98Å; V54-K171 HydrophobicContact CB-CB 4.09Å; V54-K171 HydrophobicContact CG1-CB 3.97Å; V54-M172 HydrophobicContact CG2-CG 3.85Å; V54-V175 HydrophobicContact CG1-CG2 3.68Å; V54-F189 HydrophobicContact CG1-CZ 4.19Å; V54-F189 HydrophobicContact CG2-CE1 4.25Å; V54-G305 CarbonylContact O-C 3.6Å; V54-G305 WeakPolarHBondContact O-CA 3.46Å; V54-L306 HydrophobicContact CG2-CB 4.27Å; V54-L306 HydrophobicContact CG2-CD1 3.88Å; V54-L306 HydrophobicContact CG2-CG 4.15Å; V54-L306 PolarHBondContact O-N 2.82Å
55S96.6Very high94.1Very high5 Ų537.6 Ų37.64%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-141148172.753.60000110Y71 K171 S304S55-Y71 PolarHBondContact OG-O 2.75Å; S55-K171 WeakPolarHBondContact O-CD 3.4Å; S55-K171 VanDerWaalsContact O-CE 3.29Å; S55-K171 WeakPolarHBondContact O-CE 3.12Å; S55-K171 PolarHBondContact O-NZ 3.36Å; S55-S304 CarbonylContact C-O 3.55Å; S55-S304 WeakPolarHBondContact CA-O 3.24Å; S55-S304 WeakPolarHBondContact CB-O 3.2Å
56S95.7Very high93.8Very high11 Ų1135.4 Ų35.48%0.07717%0.17CC..EExtended strand (participates in β ladder)trans-139.4140.3177-169.40000110.5M167 G303 S304S56-M167 VanDerWaalsContact OG-CB 3.27Å; S56-M167 WeakPolarHBondContact OG-CB 3.45Å; S56-G303 CarbonylContact O-C 3.51Å; S56-G303 WeakPolarHBondContact O-CA 3.43Å; S56-S304 PolarHBondContact N-O 3.3Å; S56-S304 PolarHBondContact O-N 2.95Å
57Q95Very high93.6Very high34 Ų3438.9 Ų38.916%0.15918%0.181CC..EExtended strand (participates in β ladder)trans-64.1145.9166.3-167.6-1745.500108.7Y66 A68 L73 E302Q57-Y66 PolarHBondContact NE2-O 3.2Å; Q57-A68 HydrophobicContact CG-CB 4.31Å; Q57-L73 HydrophobicContact CB-CD2 3.94Å; Q57-E302 WeakPolarHBondContact CA-O 3.47Å; Q57-E302 WeakPolarHBondContact CG-O 3.15Å
58F93Very high93.5Very high7 Ų739.3 Ų39.33%0.03119%0.185CC..  trans-65.7140.2169.8-69.8-40.5000111.1W60 N61 S62 E162 C301 E302 G303F58-W60 VanDerWaalsContact C-N 3.31Å; F58-W60 PolarHBondContact O-N 2.95Å; F58-N61 HydrophobicContact CB-CB 4.38Å; F58-N61 PolarHBondContact O-N 3.32Å; F58-S62 PolarHBondContact O-N 3.26Å; F58-S62 VanDerWaalsContact O-N 3.11Å; F58-E162 WeakPolarHBondContact CA-OE2 3.4Å; F58-E162 HydrophobicContact CB-CB 4.17Å; F58-E162 HydrophobicContact CB-CG 4.23Å; F58-E162 VanDerWaalsContact CB-OE2 3.26Å; F58-E162 WeakPolarHBondContact CB-OE2 3.24Å; F58-E162 HydrophobicContact CD1-CB 3.97Å; F58-E162 HydrophobicContact CD1-CG 3.5Å; F58-E162 HydrophobicContact CD2-CB 4.41Å; F58-E162 HydrophobicContact CE1-CB 4.49Å; F58-E162 HydrophobicContact CE1-CG 4.04Å; F58-E162 VanDerWaalsContact CE2-O 3.25Å; F58-E162 WeakPolarHBondContact CE2-O 3.14Å; F58-E162 HydrophobicContact CG-CB 3.95Å; F58-E162 HydrophobicContact CG-CG 3.96Å; F58-E162 WeakPolarHBondContact CZ-O 3.41Å; F58-C301 HydrophobicContact CE2-CB 4.38Å; F58-E302 PolarHBondContact N-O 2.91Å; F58-G303 WeakPolarHBondContact CZ-O 3.43Å
59L91.8Very high93.5Very high12 Ų1239.1 Ų39.16%0.06318%0.184CC..Hα-helixtrans-69.6-31.9-174.5-73177.8000111.6L63 K151 W154 R155 E162 I166 M167L59-L63 WeakPolarHBondContact O-CB 3.21Å; L59-L63 PolarHBondContact O-N 2.78Å; L59-K151 HydrophobicContact CD1-CB 3.9Å; L59-K151 HydrophobicContact CD1-CG 4.09Å; L59-K151 HydrophobicContact CD2-CB 4.21Å; L59-K151 HydrophobicContact CD2-CD 4.14Å; L59-K151 HydrophobicContact CD2-CG 3.86Å; L59-W154 HydrophobicContact CD1-CB 4.13Å; L59-W154 HydrophobicContact CD1-CG 4.13Å; L59-R155 HydrophobicContact CB-CG 3.95Å; L59-R155 HydrophobicContact CD1-CG 4.5Å; L59-E162 PolarHBondContact N-OE2 3.11Å; L59-I166 HydrophobicContact CD1-CG2 4.11Å; L59-M167 HydrophobicContact CD1-CG 4.3Å; L59-M167 HydrophobicContact CD2-CG 3.96Å; L59-M167 HydrophobicContact CG-CG 4.34Å
60W89.4Confident93.4Very high34 Ų3438.6 Ų38.613%0.12918%0.18CC..Hα-helixtrans-67.6-44.3173.1-74.4106.9000112.1F58 S62 L63 Y64 R155 H158 Y159 P160 E162F58-W60 VanDerWaalsContact C-N 3.31Å; F58-W60 PolarHBondContact O-N 2.95Å; W60-S62 VanDerWaalsContact C-N 3.27Å; W60-S62 PolarHBondContact O-N 3.4Å; W60-L63 HydrophobicContact CE3-CD2 3.71Å; W60-L63 HydrophobicContact CZ3-CD2 3.62Å; W60-L63 CarbonylContact O-C 3.59Å; W60-L63 WeakPolarHBondContact O-CA 3.5Å; W60-L63 WeakPolarHBondContact O-CB 3.5Å; W60-L63 PolarHBondContact O-N 2.79Å; W60-Y64 HydrophobicContact CB-CD2 4.36Å; W60-Y64 HydrophobicContact CB-CE2 4.33Å; W60-Y64 AromaticContact CE3-CE2 3.75Å; W60-Y64 HydrophobicContact CE3-CE2 3.75Å; W60-Y64 WeakPolarHBondContact O-CD2 3.09Å; W60-Y64 PolarHBondContact O-N 3.11Å; W60-R155 HydrophobicContact CZ2-CB 4.01Å; W60-R155 HydrophobicContact CZ2-CG 4.45Å; W60-R155 WeakPolarHBondContact CZ2-O 3.42Å; W60-H158 PolarHBondContact NE1-O 3.14Å; W60-Y159 HydrophobicContact CZ2-CD1 4.23Å; W60-P160 HydrophobicContact CB-CG 4.25Å; W60-P160 HydrophobicContact CD2-CG 3.7Å; W60-P160 HydrophobicContact CE3-CG 4.18Å; W60-P160 HydrophobicContact CG-CG 3.72Å; W60-E162 PolarHBondContact N-OE2 3.45Å
61N89.3Confident93.4Very high35 Ų3539.4 Ų39.419%0.18718%0.183CC..Hα-helixtrans-63.3-38178.7-64.721.3000111.2F58 Y64 K65 Y66 C301 E302F58-N61 HydrophobicContact CB-CB 4.38Å; F58-N61 PolarHBondContact O-N 3.32Å; N61-Y64 CarbonylContact O-C 3.52Å; N61-Y64 PolarHBondContact O-N 2.87Å; N61-K65 PolarHBondContact O-N 3.42Å; N61-Y66 WeakPolarHBondContact O-CB 3.43Å; N61-Y66 PolarHBondContact O-N 2.84Å; N61-C301 PolarHBondContact ND2-O 3Å; N61-E302 WeakPolarHBondContact ND2-CA 3.45Å; N61-E302 PolarHBondContact ND2-OE2 3.43Å
62S89.9Confident93.5Very high58 Ų5835.3 Ų35.341%0.40617%0.168SC..Hα-helixtrans-62.2-42.8171.5-170.70000112.2F58 W60 K65F58-S62 PolarHBondContact O-N 3.26Å; F58-S62 VanDerWaalsContact O-N 3.11Å; W60-S62 VanDerWaalsContact C-N 3.27Å; W60-S62 PolarHBondContact O-N 3.4Å; S62-K65 WeakPolarHBondContact O-CA 3.47Å; S62-K65 PolarHBondContact O-N 2.96Å
63L89.1Confident93.4Very high76 Ų7635.2 Ų35.240%0.39817%0.168SC..Hα-helixtrans-62.5-43.6176.5-175.365.1000111.8L59 W60 K65L59-L63 WeakPolarHBondContact O-CB 3.21Å; L59-L63 PolarHBondContact O-N 2.78Å; W60-L63 HydrophobicContact CE3-CD2 3.71Å; W60-L63 HydrophobicContact CZ3-CD2 3.62Å; W60-L63 CarbonylContact O-C 3.59Å; W60-L63 WeakPolarHBondContact O-CA 3.5Å; W60-L63 WeakPolarHBondContact O-CB 3.5Å; W60-L63 PolarHBondContact O-N 2.79Å; L63-K65 WeakPolarHBondContact O-CD 3.24Å; L63-K65 WeakPolarHBondContact O-CE 3.49Å; L63-K65 PolarHBondContact O-N 2.99Å; L63-K65 VanDerWaalsContact O-N 3.11Å
64Y86.8Confident93.5Very high125 Ų12539.2 Ų39.249%0.4918%0.183SC..THydrogen-bonded Turntrans-75.314.5172.4-66.8-64000113.9W60 N61 Y66W60-Y64 HydrophobicContact CB-CD2 4.36Å; W60-Y64 HydrophobicContact CB-CE2 4.33Å; W60-Y64 AromaticContact CE3-CE2 3.75Å; W60-Y64 HydrophobicContact CE3-CE2 3.75Å; W60-Y64 WeakPolarHBondContact O-CD2 3.09Å; W60-Y64 PolarHBondContact O-N 3.11Å; N61-Y64 CarbonylContact O-C 3.52Å; N61-Y64 PolarHBondContact O-N 2.87Å; Y64-Y66 VanDerWaalsContact C-N 3.26Å; Y64-Y66 PolarHBondContact O-N 3.13Å
65K89.5Confident93.4Very high144 Ų14439.1 Ų39.163%0.62618%0.182SC*.THydrogen-bonded Turntrans64.822.3169.3-48-57.3178.8-174.10114.8N61 S62 L63 K67N61-K65 PolarHBondContact O-N 3.42Å; S62-K65 WeakPolarHBondContact O-CA 3.47Å; S62-K65 PolarHBondContact O-N 2.96Å; L63-K65 WeakPolarHBondContact O-CD 3.24Å; L63-K65 WeakPolarHBondContact O-CE 3.49Å; L63-K65 PolarHBondContact O-N 2.99Å; L63-K65 VanDerWaalsContact O-N 3.11Å; K65-K67 PolarHBondContact O-N 3.13Å
66Y91.1Very high93.4Very high6 Ų639.4 Ų39.42%0.02418%0.183CC..  trans-62.7121.9165.1-176.5-109.1000109.3Q57 N61 Y64 A68 A75 E77 T257 E302Q57-Y66 PolarHBondContact NE2-O 3.2Å; N61-Y66 WeakPolarHBondContact O-CB 3.43Å; N61-Y66 PolarHBondContact O-N 2.84Å; Y64-Y66 VanDerWaalsContact C-N 3.26Å; Y64-Y66 PolarHBondContact O-N 3.13Å; Y66-A68 HydrophobicContact CD1-CB 4.04Å; Y66-A68 HydrophobicContact CE1-CB 3.8Å; Y66-A75 WeakPolarHBondContact OH-CA 3.32Å; Y66-A75 WeakPolarHBondContact OH-CB 3.49Å; Y66-E77 WeakPolarHBondContact CD2-OE1 3.27Å; Y66-E77 HydrophobicContact CE2-CG 4.41Å; Y66-E77 WeakPolarHBondContact CE2-OE1 3.23Å; Y66-T257 PolarHBondContact OH-O 2.77Å; Y66-E302 HydrophobicContact CD1-CB 4.08Å; Y66-E302 HydrophobicContact CD1-CG 3.95Å; Y66-E302 WeakPolarHBondContact CD1-OE2 3.4Å; Y66-E302 HydrophobicContact CE1-CB 3.68Å; Y66-E302 VanDerWaalsContact CE1-CD 3.41Å; Y66-E302 HydrophobicContact CE1-CG 3.34Å; Y66-E302 WeakPolarHBondContact CE1-OE2 3.37Å; Y66-E302 HydrophobicContact CE2-CG 4.48Å
67K93.4Very high93.3Very high121 Ų12139.2 Ų39.253%0.52618%0.181SC..  trans-94108.6-177.9-62.2178.9-176.8168.90109.4K65 L76K65-K67 PolarHBondContact O-N 3.13Å; K67-L76 HydrophobicContact CB-CB 3.95Å; K67-L76 WeakPolarHBondContact O-CB 3.43Å; K67-L76 PolarHBondContact O-N 2.91Å
68A95.4Very high93.4Very high11 Ų1139.1 Ų39.19%0.09118%0.183CC..BIsolated β-bridgetrans-117.7150.517600000111.3Q57 Y66 E70 R74 L76Q57-A68 HydrophobicContact CG-CB 4.31Å; Y66-A68 HydrophobicContact CD1-CB 4.04Å; Y66-A68 HydrophobicContact CE1-CB 3.8Å; A68-E70 PolarHBondContact O-N 2.79Å; A68-R74 CarbonylContact C-O 3.45Å; A68-R74 WeakPolarHBondContact CA-O 3.36Å; A68-L76 WeakPolarHBondContact O-CD1 3.47Å
69C97.5Very high93.5Very high0 Ų038.9 Ų38.90%018%0.182CC..  trans-62.1124.3167.7179.30000109.1Y71 L73 R74 L76 C118C69-Y71 PolarHBondContact O-N 3.16Å; C69-Y71 VanDerWaalsContact O-N 3.12Å; C69-L73 VanDerWaalsContact O-CA 3.23Å; C69-L73 WeakPolarHBondContact O-CA 3.33Å; C69-L73 PolarHBondContact O-N 2.96Å; C69-R74 HydrophobicContact CB-CB 4.14Å; C69-R74 PolarHBondContact N-O 3.42Å; C69-L76 HydrophobicContact CB-CD2 4.09Å; C69-C118 HydrophobicContact CB-CB 4.03Å; C69-C118 PolarHBondContact SG-N 2.89Å; C69-C118 VanDerWaalsContact SG-SG 3.68Å
70E96.8Very high93.7Very high35 Ų3540.3 Ų40.316%0.16419%0.189CC..THydrogen-bonded Turntrans-60.7-28.4-176.8-167.2-71.3137.200112.6A68 V115 M116 Y117 Y130 K171A68-E70 PolarHBondContact O-N 2.79Å; E70-V115 HydrophobicContact CB-CG1 4.38Å; E70-V115 HydrophobicContact CB-CG2 3.8Å; E70-V115 HydrophobicContact CG-CG1 4.19Å; E70-V115 HydrophobicContact CG-CG2 3.64Å; E70-M116 PolarHBondContact N-O 3.36Å; E70-Y117 HydrophobicContact CB-CD1 4.26Å; E70-Y117 HydrophobicContact CB-CE1 3.72Å; E70-Y117 HydrophobicContact CG-CE1 4.45Å; E70-Y117 WeakPolarHBondContact OE2-CE1 3.37Å; E70-Y117 PolarHBondContact OE2-OH 2.87Å; E70-Y130 PolarHBondContact O-OH 3.28Å; E70-Y130 VanDerWaalsContact O-OH 3.07Å; E70-Y130 WeakPolarHBondContact OE1-CE2 3.23Å; E70-Y130 PolarHBondContact OE1-OH 2.99Å; E70-Y130 VanDerWaalsContact OE2-CE2 3.29Å; E70-Y130 WeakPolarHBondContact OE2-CE2 3.43Å; E70-Y130 VanDerWaalsContact OE2-CZ 3.31Å; E70-Y130 PolarHBondContact OE2-OH 2.8Å; E70-K171 PolarHBondContact O-NZ 3.3Å; E70-K171 WeakPolarHBondContact OE1-CE 3.29Å; E70-K171 IonicContact OE1-NZ 2.9Å; E70-K171 PolarHBondContact OE1-NZ 2.87Å
71Y97.8Very high94Very high16 Ų1642.6 Ų42.66%0.06320%0.201CC..THydrogen-bonded Turntrans-82.1-60.6177.7-172.1-117.5000113.3R51 S55 C69 C122 A125 A126 Q129 Y130 F330R51-Y71 PolarHBondContact NH1-OH 3.34Å; S55-Y71 PolarHBondContact OG-O 2.75Å; C69-Y71 PolarHBondContact O-N 3.16Å; C69-Y71 VanDerWaalsContact O-N 3.12Å; Y71-C122 HydrophobicContact CD1-CB 4.14Å; Y71-C122 HydrophobicContact CG-CB 4.49Å; Y71-A125 HydrophobicContact CD1-CB 4.11Å; Y71-A125 HydrophobicContact CD2-CB 4.41Å; Y71-A125 HydrophobicContact CE1-CB 3.63Å; Y71-A125 HydrophobicContact CE2-CB 3.98Å; Y71-A125 HydrophobicContact CG-CB 4.48Å; Y71-A126 HydrophobicContact CD2-CB 3.81Å; Y71-A126 HydrophobicContact CG-CB 4.26Å; Y71-Q129 VanDerWaalsContact CE2-OE1 3.28Å; Y71-Q129 PolarHBondContact OH-OE1 3.28Å; Y71-Q129 VanDerWaalsContact OH-OE1 3.08Å; Y71-Y130 WeakPolarHBondContact CA-OH 3.32Å; Y71-Y130 AromaticContact CD2-CE1 4Å; Y71-Y130 HydrophobicContact CD2-CE1 4Å; Y71-Y130 HydrophobicContact CE2-CE1 4.28Å; Y71-F330 HydrophobicContact CD1-CE2 4.14Å; Y71-F330 HydrophobicContact CD1-CZ 4.01Å; Y71-F330 AromaticContact CE1-CE2 3.88Å; Y71-F330 HydrophobicContact CE1-CE2 3.88Å; Y71-F330 AromaticContact CE1-CZ 3.58Å; Y71-F330 HydrophobicContact CE1-CZ 3.58Å; Y71-F330 WeakPolarHBondContact O-CD2 3.25Å
72C96.9Very high94.2Very high4 Ų440.9 Ų40.93%0.02719%0.192CC..THydrogen-bonded Turntrans-108.47-166.671.10000114.3R74 N329 F330C72-R74 PolarHBondContact O-N 3.49Å; C72-R74 VanDerWaalsContact SG-CB 3.59Å; C72-N329 HydrophobicContact CB-CB 4.26Å; C72-N329 CarbonylContact O-C 3.58Å; C72-N329 WeakPolarHBondContact O-CA 3.48Å; C72-N329 WeakPolarHBondContact O-CB 3.36Å; C72-F330 HydrophobicContact CB-CD1 3.69Å; C72-F330 HydrophobicContact CB-CD2 4.11Å; C72-F330 HydrophobicContact CB-CE1 3.6Å; C72-F330 HydrophobicContact CB-CE2 3.99Å; C72-F330 HydrophobicContact CB-CG 3.98Å; C72-F330 HydrophobicContact CB-CZ 3.74Å; C72-F330 PolarHBondContact O-N 3.46Å
73L96.3Very high94.4Very high1 Ų138.1 Ų38.11%0.00517%0.173CC..  trans58.83.7-177.4-56-174.9000116.2Q57 C69 A75 I255 T257Q57-L73 HydrophobicContact CB-CD2 3.94Å; C69-L73 VanDerWaalsContact O-CA 3.23Å; C69-L73 WeakPolarHBondContact O-CA 3.33Å; C69-L73 PolarHBondContact O-N 2.96Å; L73-A75 PolarHBondContact O-N 3.14Å; L73-I255 HydrophobicContact CB-CG2 4.44Å; L73-I255 HydrophobicContact CD1-CB 3.94Å; L73-I255 HydrophobicContact CD1-CD1 3.65Å; L73-I255 HydrophobicContact CD1-CG1 4.37Å; L73-I255 HydrophobicContact CD1-CG2 4Å; L73-T257 HydrophobicContact CB-CG2 4.38Å; L73-T257 WeakPolarHBondContact O-CB 3.31Å; L73-T257 PolarHBondContact O-OG1 3.37Å
74R96.1Very high94.7Very high85 Ų8538.1 Ų38.132%0.32117%0.167SC..  trans-51.6131.7175.3175.4165.5-67.5170-2.8111.8A68 C69 C72 L76 C118 D327 N328 N329A68-R74 CarbonylContact C-O 3.45Å; A68-R74 WeakPolarHBondContact CA-O 3.36Å; C69-R74 HydrophobicContact CB-CB 4.14Å; C69-R74 PolarHBondContact N-O 3.42Å; C72-R74 PolarHBondContact O-N 3.49Å; C72-R74 VanDerWaalsContact SG-CB 3.59Å; R74-L76 PolarHBondContact O-N 3.47Å; R74-C118 HydrophobicContact CB-CB 4.41Å; R74-C118 HydrophobicContact CG-CB 4.36Å; R74-D327 PolarHBondContact NH2-O 3.15Å; R74-D327 VanDerWaalsContact NH2-O 3.15Å; R74-N328 VanDerWaalsContact CA-O 3.23Å; R74-N328 WeakPolarHBondContact CA-O 3.46Å; R74-N328 VanDerWaalsContact CB-O 3.29Å; R74-N328 WeakPolarHBondContact CB-O 3.47Å; R74-N328 WeakPolarHBondContact CG-O 3.2Å; R74-N328 PolarHBondContact NE-O 3.24Å; R74-N329 HydrophobicContact CB-CB 4.28Å; R74-N329 PolarHBondContact NH2-ND2 3.46Å
75A94.7Very high95Very high1 Ų134.9 Ų34.91%0.00815%0.154CC..BIsolated β-bridgetrans-52.9127.3172.100000111.1Y66 L73Y66-A75 WeakPolarHBondContact OH-CA 3.32Å; Y66-A75 WeakPolarHBondContact OH-CB 3.49Å; L73-A75 PolarHBondContact O-N 3.14Å
76L95.9Very high95Very high11 Ų1128.1 Ų28.16%0.05813%0.125CC..  trans-103.5-11.3177.1-57.5-178.8000112.7K67 A68 C69 R74 H107 M116 C118K67-L76 HydrophobicContact CB-CB 3.95Å; K67-L76 WeakPolarHBondContact O-CB 3.43Å; K67-L76 PolarHBondContact O-N 2.91Å; A68-L76 WeakPolarHBondContact O-CD1 3.47Å; C69-L76 HydrophobicContact CB-CD2 4.09Å; R74-L76 PolarHBondContact O-N 3.47Å; L76-H107 PolarHBondContact O-CE1 3.46Å; L76-M116 HydrophobicContact CD1-CB 3.43Å; L76-M116 VanDerWaalsContact CD1-CB 3.43Å; L76-C118 HydrophobicContact CD2-CB 3.56Å
77E93.9Very high95.1Very high7 Ų728.7 Ų28.73%0.03313%0.129CC..SBendtrans-90.1138.5168.153.6179.2-179.100110Y66 E81 N82 R85 V102 S259Y66-E77 WeakPolarHBondContact CD2-OE1 3.27Å; Y66-E77 HydrophobicContact CE2-CG 4.41Å; Y66-E77 WeakPolarHBondContact CE2-OE1 3.23Å; E77-E81 HydrophobicContact CB-CB 3.91Å; E77-N82 HydrophobicContact CG-CB 3.95Å; E77-N82 PolarHBondContact OE1-ND2 3.44Å; E77-R85 IonicContact OE1-CZ 3Å; E77-R85 IonicContact OE1-NE 3.77Å; E77-R85 PolarHBondContact OE1-NE 3.44Å; E77-R85 VanDerWaalsContact OE1-NE 3.1Å; E77-R85 IonicContact OE1-NH2 2.73Å; E77-R85 PolarHBondContact OE1-NH2 3.43Å; E77-R85 IonicContact OE2-NE 2.88Å; E77-R85 PolarHBondContact OE2-NE 3Å; E77-R85 VanDerWaalsContact OE2-NE 3.12Å; E77-V102 WeakPolarHBondContact O-CG2 3.42Å; E77-S259 VanDerWaalsContact O-CB 3.25Å; E77-S259 WeakPolarHBondContact O-CB 3.49Å; E77-S259 PolarHBondContact O-OG 3.09Å
78T95.9Very high95Very high33 Ų3327.4 Ų27.420%0.20213%0.134CC..  trans-58.7161.5172.760.20000110.7E80 E81 N82 V102 P104 S259T78-E80 PolarHBondContact O-N 2.92Å; T78-E81 WeakPolarHBondContact CB-OE2 3.45Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.38Å; T78-E81 PolarHBondContact N-OE2 2.71Å; T78-E81 PolarHBondContact O-N 3.15Å; T78-E81 WeakPolarHBondContact OG1-CB 3.45Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.17Å; T78-E81 PolarHBondContact OG1-N 3.28Å; T78-E81 PolarHBondContact OG1-OE2 2.98Å; T78-N82 WeakPolarHBondContact O-CB 3.12Å; T78-N82 PolarHBondContact O-N 2.97Å; T78-V102 HydrophobicContact CG2-CB 4.39Å; T78-V102 HydrophobicContact CG2-CG1 4.45Å; T78-P104 HydrophobicContact CG2-CG 4.16Å; T78-S259 PolarHBondContact O-OG 2.84Å
79A95.8Very high94.9Very high1 Ų130 Ų301%0.00815%0.147CC..Hα-helixtrans-57.1-38.3178.400000111.4A83 L94 C100 S259 W263A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 3.42Å; A79-L94 VanDerWaalsContact C-CD1 3.4Å; A79-L94 HydrophobicContact CB-CD1 3.79Å; A79-L94 WeakPolarHBondContact O-CD1 3.48Å; A79-C100 HydrophobicContact CB-CB 4.28Å; A79-C100 PolarHBondContact N-SG 2.91Å; A79-S259 WeakPolarHBondContact CB-O 3.48Å; A79-W263 HydrophobicContact CB-CB 3.56Å; A79-W263 HydrophobicContact CB-CG 3.94Å
80E96.6Very high94.8Very high43 Ų4335.3 Ų35.320%0.20118%0.181CC..Hα-helixtrans-70-43178-174.117690.500112.2T78 A83 R84 S93 L94T78-E80 PolarHBondContact O-N 2.92Å; E80-A83 PolarHBondContact O-N 2.93Å; E80-R84 VanDerWaalsContact CD-CZ 3.46Å; E80-R84 HydrophobicContact CG-CG 4.49Å; E80-R84 WeakPolarHBondContact O-CB 3.43Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 3.22Å; E80-R84 IonicContact OE1-CZ 2.76Å; E80-R84 IonicContact OE1-NH1 2.8Å; E80-R84 PolarHBondContact OE1-NH1 2.94Å; E80-R84 IonicContact OE1-NH2 3.63Å; E80-R84 PolarHBondContact OE1-NH2 3.37Å; E80-R84 IonicContact OE2-NH2 3.96Å; E80-S93 WeakPolarHBondContact OE2-CA 3.43Å; E80-S93 WeakPolarHBondContact OE2-CB 3.22Å; E80-S93 PolarHBondContact OE2-OG 3.21Å; E80-L94 HydrophobicContact CB-CB 4.48Å; E80-L94 HydrophobicContact CB-CD1 4.19Å; E80-L94 HydrophobicContact CB-CG 4.11Å; E80-L94 HydrophobicContact CG-CG 4.34Å; E80-L94 PolarHBondContact OE2-N 2.94Å
81E95.5Very high94.7Very high81 Ų8137.6 Ų37.638%0.37921%0.206SC..Hα-helixtrans-62-43.2173.7-73166.9139.600111.9E77 T78 R84 R85E77-E81 HydrophobicContact CB-CB 3.91Å; T78-E81 WeakPolarHBondContact CB-OE2 3.45Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.38Å; T78-E81 PolarHBondContact N-OE2 2.71Å; T78-E81 PolarHBondContact O-N 3.15Å; T78-E81 WeakPolarHBondContact OG1-CB 3.45Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.17Å; T78-E81 PolarHBondContact OG1-N 3.28Å; T78-E81 PolarHBondContact OG1-OE2 2.98Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 PolarHBondContact O-N 2.82Å
82N93.6Very high94.6Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-59.2-50.5175.6-175.6-125.5000110.8E77 T78 R85 L86 S258 S259 L260E77-N82 HydrophobicContact CG-CB 3.95Å; E77-N82 PolarHBondContact OE1-ND2 3.44Å; T78-N82 WeakPolarHBondContact O-CB 3.12Å; T78-N82 PolarHBondContact O-N 2.97Å; N82-R85 PolarHBondContact ND2-NH2 2.88Å; N82-R85 PolarHBondContact O-N 2.98Å; N82-L86 WeakPolarHBondContact O-CB 3.32Å; N82-L86 VanDerWaalsContact O-CG 3.26Å; N82-L86 WeakPolarHBondContact O-CG 3.47Å; N82-L86 PolarHBondContact O-N 3.02Å; N82-S258 PolarHBondContact OD1-OG 3.15Å; N82-S259 WeakPolarHBondContact CB-OG 2.9Å; N82-L260 HydrophobicContact CB-CB 4.48Å; N82-L260 WeakPolarHBondContact OD1-CB 3.28Å
83A94.4Very high94.6Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-60.1-49.6177.500000112A79 E80 R85 L86 C87 L92 L94 L260 L287A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 3.42Å; E80-A83 PolarHBondContact O-N 2.93Å; A83-R85 VanDerWaalsContact C-N 3.28Å; A83-R85 PolarHBondContact O-N 3.23Å; A83-L86 PolarHBondContact O-N 3.17Å; A83-C87 PolarHBondContact O-N 3.44Å; A83-C87 PolarHBondContact O-SG 3.41Å; A83-L92 HydrophobicContact CB-CD2 3.57Å; A83-L94 HydrophobicContact CB-CD1 4.16Å; A83-L94 HydrophobicContact CB-CD2 3.99Å; A83-L94 HydrophobicContact CB-CG 4.32Å; A83-L260 HydrophobicContact CB-CD1 4.24Å; A83-L260 HydrophobicContact CB-CD2 4.32Å; A83-L287 HydrophobicContact CB-CD1 4.29Å; A83-L287 HydrophobicContact CB-CD2 4.29Å
84R95.1Very high94.7Very high75 Ų7541.5 Ų41.528%0.28323%0.234SC..Hα-helixtrans-55.3-42177.5-76.3177.3171.2139.19.6112.6E80 E81 C88 N89 P90 L92E80-R84 VanDerWaalsContact CD-CZ 3.46Å; E80-R84 HydrophobicContact CG-CG 4.49Å; E80-R84 WeakPolarHBondContact O-CB 3.43Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 3.22Å; E80-R84 IonicContact OE1-CZ 2.76Å; E80-R84 IonicContact OE1-NH1 2.8Å; E80-R84 PolarHBondContact OE1-NH1 2.94Å; E80-R84 IonicContact OE1-NH2 3.63Å; E80-R84 PolarHBondContact OE1-NH2 3.37Å; E80-R84 IonicContact OE2-NH2 3.96Å; E81-R84 PolarHBondContact O-N 3.32Å; R84-C88 WeakPolarHBondContact O-CA 3.44Å; R84-C88 PolarHBondContact O-N 3.47Å; R84-C88 VanDerWaalsContact O-N 3.14Å; R84-N89 WeakPolarHBondContact CG-O 3.36Å; R84-N89 PolarHBondContact O-N 2.91Å; R84-P90 PolarHBondContact NE-O 3.18Å; R84-P90 VanDerWaalsContact NE-O 3.08Å; R84-L92 HydrophobicContact CG-CB 4.01Å; R84-L92 PolarHBondContact NE-O 2.91Å; R84-L92 PolarHBondContact NH2-O 2.98Å
85R92.4Very high94.7Very high58 Ų5839.5 Ų39.522%0.21923%0.232CC..Hα-helixtrans-66.7-47.3178.3-176.1178.859.266.715.6110.8E77 E81 N82 A83 C88E77-R85 IonicContact OE1-CZ 3Å; E77-R85 IonicContact OE1-NE 3.77Å; E77-R85 PolarHBondContact OE1-NE 3.44Å; E77-R85 VanDerWaalsContact OE1-NE 3.1Å; E77-R85 IonicContact OE1-NH2 2.73Å; E77-R85 PolarHBondContact OE1-NH2 3.43Å; E77-R85 IonicContact OE2-NE 2.88Å; E77-R85 PolarHBondContact OE2-NE 3Å; E77-R85 VanDerWaalsContact OE2-NE 3.12Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 PolarHBondContact O-N 2.82Å; N82-R85 PolarHBondContact ND2-NH2 2.88Å; N82-R85 PolarHBondContact O-N 2.98Å; A83-R85 VanDerWaalsContact C-N 3.28Å; A83-R85 PolarHBondContact O-N 3.23Å; R85-C88 PolarHBondContact O-N 3.48Å
86L90.8Very high94.7Very high1 Ų142.2 Ų42.21%0.00524%0.244CC..Hα-helixtrans-67.9-37.6-177.1-68.8173.9000113N82 A83 C88 L260 I291 A294 M295 F298N82-L86 WeakPolarHBondContact O-CB 3.32Å; N82-L86 VanDerWaalsContact O-CG 3.26Å; N82-L86 WeakPolarHBondContact O-CG 3.47Å; N82-L86 PolarHBondContact O-N 3.02Å; A83-L86 PolarHBondContact O-N 3.17Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-L260 HydrophobicContact CD1-CD2 4.31Å; L86-I291 HydrophobicContact CB-CD1 4.06Å; L86-I291 HydrophobicContact CB-CG1 3.81Å; L86-I291 HydrophobicContact CB-CG2 4.04Å; L86-I291 HydrophobicContact CD1-CD1 4.21Å; L86-A294 WeakPolarHBondContact O-CB 3.2Å; L86-M295 WeakPolarHBondContact O-CG 3.3Å; L86-F298 HydrophobicContact CD1-CE1 3.99Å; L86-F298 HydrophobicContact CD1-CE2 4.04Å; L86-F298 HydrophobicContact CD1-CZ 3.68Å; L86-F298 HydrophobicContact CD2-CD2 3.84Å; L86-F298 HydrophobicContact CD2-CE2 3.33Å; L86-F298 HydrophobicContact CD2-CZ 3.85Å; L86-F298 HydrophobicContact CG-CE2 4.34Å; L86-F298 HydrophobicContact CG-CZ 4.44Å
87C91.8Very high94.7Very high18 Ų1845.8 Ų45.812%0.12227%0.268CS..THydrogen-bonded Turntrans-90.73.1177.267.60000113.8A83 N89 D290 I291A83-C87 PolarHBondContact O-N 3.44Å; A83-C87 PolarHBondContact O-SG 3.41Å; C87-N89 PolarHBondContact O-N 3.23Å; C87-N89 VanDerWaalsContact O-N 3.1Å; C87-N89 VanDerWaalsContact SG-CB 3.51Å; C87-D290 HydrophobicContact CB-CB 4.37Å; C87-I291 HydrophobicContact CB-CG1 4.25Å
88C91.2Very high94.8Very high94 Ų9451.6 Ų51.664%0.63530%0.295SS*.THydrogen-bonded Turntrans51.530.8-174.2-66.80000113.9R84 R85 L86R84-C88 WeakPolarHBondContact O-CA 3.44Å; R84-C88 PolarHBondContact O-N 3.47Å; R84-C88 VanDerWaalsContact O-N 3.14Å; R85-C88 PolarHBondContact O-N 3.48Å; L86-C88 VanDerWaalsContact C-N 3.34Å
89N94.3Very high94.8Very high67 Ų6751.7 Ų51.736%0.35829%0.294SS..  trans-12099-177.8-1791.3000111.2R84 C87 A91 L92R84-N89 WeakPolarHBondContact CG-O 3.36Å; R84-N89 PolarHBondContact O-N 2.91Å; C87-N89 PolarHBondContact O-N 3.23Å; C87-N89 VanDerWaalsContact O-N 3.1Å; C87-N89 VanDerWaalsContact SG-CB 3.51Å; N89-A91 PolarHBondContact O-N 3.16Å; N89-A91 WeakPolarHBondContact OD1-CB 3.35Å; N89-A91 PolarHBondContact OD1-N 3.44Å; N89-L92 HydrophobicContact CB-CB 4.31Å; N89-L92 WeakPolarHBondContact O-CB 3.29Å; N89-L92 PolarHBondContact O-N 2.64Å; N89-L92 PolarHBondContact OD1-N 3.05Å
90P94.1Very high94.7Very high110 Ų11053.1 Ų53.171%0.71430%0.304SS*.THydrogen-bonded Turntrans-69.2-16.7-179.229.3-35.4000113.5R84R84-P90 PolarHBondContact NE-O 3.18Å; R84-P90 VanDerWaalsContact NE-O 3.08Å
91A95.8Very high94.6Very high84 Ų8459.3 Ų59.369%0.69433%0.325SS*.THydrogen-bonded Turntrans-89.8-6.217900000113.2N89 S93N89-A91 PolarHBondContact O-N 3.16Å; N89-A91 WeakPolarHBondContact OD1-CB 3.35Å; N89-A91 PolarHBondContact OD1-N 3.44Å; A91-S93 PolarHBondContact O-N 3.07Å
92L96.3Very high94.6Very high22 Ų2256.3 Ų56.312%0.11531%0.313CS..  trans-57.7138.7175.3-179.969.9000109.8A83 R84 N89 L94 F283 L287A83-L92 HydrophobicContact CB-CD2 3.57Å; R84-L92 HydrophobicContact CG-CB 4.01Å; R84-L92 PolarHBondContact NE-O 2.91Å; R84-L92 PolarHBondContact NH2-O 2.98Å; N89-L92 HydrophobicContact CB-CB 4.31Å; N89-L92 WeakPolarHBondContact O-CB 3.29Å; N89-L92 PolarHBondContact O-N 2.64Å; N89-L92 PolarHBondContact OD1-N 3.05Å; L92-L94 HydrophobicContact CD2-CD2 4.23Å; L92-F283 HydrophobicContact CD1-CE2 4.41Å; L92-F283 HydrophobicContact CD1-CZ 4.1Å; L92-L287 HydrophobicContact CD2-CD1 3.59Å
93S97Very high94.7Very high74 Ų7463.2 Ų63.252%0.51734%0.339SS..  trans-130.8133.6168-170.70000109.7E80 A91E80-S93 WeakPolarHBondContact OE2-CA 3.43Å; E80-S93 WeakPolarHBondContact OE2-CB 3.22Å; E80-S93 PolarHBondContact OE2-OG 3.21Å; A91-S93 PolarHBondContact O-N 3.07Å
94L96.9Very high94.8Very high6 Ų666.4 Ų66.43%0.03136%0.359CS..  trans-85.4137.5178.5-64-172.9000110A79 E80 A83 L92 L260 W263 F283 L287A79-L94 VanDerWaalsContact C-CD1 3.4Å; A79-L94 HydrophobicContact CB-CD1 3.79Å; A79-L94 WeakPolarHBondContact O-CD1 3.48Å; E80-L94 HydrophobicContact CB-CB 4.48Å; E80-L94 HydrophobicContact CB-CD1 4.19Å; E80-L94 HydrophobicContact CB-CG 4.11Å; E80-L94 HydrophobicContact CG-CG 4.34Å; E80-L94 PolarHBondContact OE2-N 2.94Å; A83-L94 HydrophobicContact CB-CD1 4.16Å; A83-L94 HydrophobicContact CB-CD2 3.99Å; A83-L94 HydrophobicContact CB-CG 4.32Å; L92-L94 HydrophobicContact CD2-CD2 4.23Å; L94-L260 HydrophobicContact CD1-CD1 4.13Å; L94-W263 HydrophobicContact CB-CZ2 4.08Å; L94-W263 HydrophobicContact CD1-CD2 4.08Å; L94-W263 HydrophobicContact CD1-CE3 4.26Å; L94-W263 HydrophobicContact CD1-CG 4.49Å; L94-W263 HydrophobicContact CD2-CH2 4.36Å; L94-W263 HydrophobicContact CD2-CZ3 4.5Å; L94-F283 HydrophobicContact CD2-CE1 3.82Å; L94-F283 HydrophobicContact CD2-CZ 3.96Å; L94-L287 HydrophobicContact CD2-CD2 3.73Å
95P96.2Very high94.8Very high44 Ų4469.3 Ų69.329%0.28638%0.376SS..SBendtrans-64159.3166.326-27.8000109.9W263 L280 F283P95-W263 HydrophobicContact CG-CH2 4.18Å; P95-W263 HydrophobicContact CG-CZ2 3.84Å; P95-W263 VanDerWaalsContact O-CE2 3.32Å; P95-W263 WeakPolarHBondContact O-CZ2 3.21Å; P95-W263 PolarHBondContact O-NE1 3.24Å; P95-L280 HydrophobicContact CB-CD1 4.38Å; P95-L280 HydrophobicContact CG-CD1 3.61Å; P95-F283 HydrophobicContact CG-CD1 3.96Å; P95-F283 HydrophobicContact CG-CE1 4Å; P95-F283 HydrophobicContact CG-CG 4.47Å
96H95.9Very high95.1Very high58 Ų5870 Ų7027%0.26938%0.383SS..  trans50.953.3177.5-59.3-70000115E98 L99 W263H96-E98 WeakPolarHBondContact CA-OE1 3.39Å; H96-E98 VanDerWaalsContact CA-OE2 3.24Å; H96-E98 WeakPolarHBondContact CA-OE2 3.46Å; H96-E98 WeakPolarHBondContact CB-OE1 3.34Å; H96-E98 IonicContact CG-OE1 3.33Å; H96-E98 IonicContact ND1-OE1 3.1Å; H96-E98 PolarHBondContact ND1-OE1 2.76Å; H96-E98 PolarHBondContact O-N 3.16Å; H96-E98 VanDerWaalsContact O-N 3.1Å; H96-L99 HydrophobicContact CB-CD1 3.66Å; H96-L99 HydrophobicContact CB-CG 3.92Å; H96-L99 WeakPolarHBondContact O-CB 3.39Å; H96-L99 PolarHBondContact O-N 3.09Å; H96-W263 PolarHBondContact O-NE1 3.27Å
97P94.9Very high95.4Very high85 Ų8571.5 Ų71.555%0.55239%0.39SS*.G310 helixtrans-59.7-23.9-179.526.9-36.1000112.8L99 C100P97-L99 PolarHBondContact O-N 3.2Å; P97-C100 VanDerWaalsContact O-CB 3.32Å; P97-C100 WeakPolarHBondContact O-CB 3.2Å; P97-C100 PolarHBondContact O-N 3.02Å; P97-C100 VanDerWaalsContact O-N 3.09Å
98E95.5Very high95.7Very high129 Ų12973.9 Ų73.960%0.60340%0.4SS*.G310 helixtrans-61.8-18.8174.571.2-77.217900114.3H96 C100H96-E98 WeakPolarHBondContact CA-OE1 3.39Å; H96-E98 VanDerWaalsContact CA-OE2 3.24Å; H96-E98 WeakPolarHBondContact CA-OE2 3.46Å; H96-E98 WeakPolarHBondContact CB-OE1 3.34Å; H96-E98 IonicContact CG-OE1 3.33Å; H96-E98 IonicContact ND1-OE1 3.1Å; H96-E98 PolarHBondContact ND1-OE1 2.76Å; H96-E98 PolarHBondContact O-N 3.16Å; H96-E98 VanDerWaalsContact O-N 3.1Å; E98-C100 VanDerWaalsContact C-N 3.28Å
99L95.9Very high96.1Very high36 Ų3670.8 Ų70.819%0.18838%0.381CS..G310 helixtrans-79.2-12.6175.9-63.6-179.4000112.9H96 P97 R101 A266 L270H96-L99 HydrophobicContact CB-CD1 3.66Å; H96-L99 HydrophobicContact CB-CG 3.92Å; H96-L99 WeakPolarHBondContact O-CB 3.39Å; H96-L99 PolarHBondContact O-N 3.09Å; P97-L99 PolarHBondContact O-N 3.2Å; L99-R101 PolarHBondContact O-N 3Å; L99-A266 HydrophobicContact CB-CB 3.93Å; L99-A266 HydrophobicContact CD1-CB 4.08Å; L99-A266 HydrophobicContact CD2-CB 4.25Å; L99-A266 HydrophobicContact CG-CB 4.32Å; L99-L270 HydrophobicContact CD1-CD1 3.91Å; L99-L270 HydrophobicContact CD1-CD2 4.2Å; L99-L270 HydrophobicContact CD1-CG 4.11Å; L99-L270 HydrophobicContact CD2-CD2 4.3Å
100C95.4Very high96.2Very high30 Ų3068 Ų6820%0.20337%0.366CS..  trans-68.7125.9173.6-1710000110.6A79 P97 E98A79-C100 HydrophobicContact CB-CB 4.28Å; A79-C100 PolarHBondContact N-SG 2.91Å; P97-C100 VanDerWaalsContact O-CB 3.32Å; P97-C100 WeakPolarHBondContact O-CB 3.2Å; P97-C100 PolarHBondContact O-N 3.02Å; P97-C100 VanDerWaalsContact O-N 3.09Å; E98-C100 VanDerWaalsContact C-N 3.28Å
101R93.3Very high96.3Very high173 Ų17367.5 Ų67.565%0.65336%0.363SS*.  trans-93.6-1.5-177.8-62-175.8178.4-174.11114.2L99L99-R101 PolarHBondContact O-N 3Å
102V95.1Very high96.3Very high19 Ų1969.8 Ų69.812%0.11536%0.36CS..  trans-72.4136.9-179.8-179.60000108.9E77 T78 P104E77-V102 WeakPolarHBondContact O-CG2 3.42Å; T78-V102 HydrophobicContact CG2-CB 4.39Å; T78-V102 HydrophobicContact CG2-CG1 4.45Å; V102-P104 HydrophobicContact CG1-CG 4.35Å; V102-P104 WeakPolarHBondContact O-CD 3.5Å
103R95.4Very high96.3Very high145 Ų14569.2 Ų69.255%0.54736%0.357SS..  trans-123.778.8-175.8-73.9-168.6-71.2-171.2-0110.7E105 L106 H107R103-E105 WeakPolarHBondContact CA-OE2 3.47Å; R103-E105 WeakPolarHBondContact CB-OE1 3.21Å; R103-E105 WeakPolarHBondContact CG-OE1 3.44Å; R103-E105 PolarHBondContact O-N 2.88Å; R103-E105 VanDerWaalsContact O-N 3.13Å; R103-L106 HydrophobicContact CB-CB 4.46Å; R103-L106 HydrophobicContact CB-CD1 3.93Å; R103-L106 HydrophobicContact CB-CG 4.08Å; R103-L106 PolarHBondContact O-N 3.21Å; R103-H107 PolarHBondContact O-CD2 2.89Å; R103-H107 VanDerWaalsContact O-CD2 3.28Å; R103-H107 PolarHBondContact O-NE2 3.41Å
104P96.4Very high96.2Very high66 Ų6671.5 Ų71.543%0.42936%0.36SS..G310 helixtrans-54.6-30.4-177-25.735.9000114.5T78 V102 L106 H107T78-P104 HydrophobicContact CG2-CG 4.16Å; V102-P104 HydrophobicContact CG1-CG 4.35Å; V102-P104 WeakPolarHBondContact O-CD 3.5Å; P104-L106 PolarHBondContact O-N 3.07Å; P104-H107 WeakPolarHBondContact O-CB 3.42Å; P104-H107 PolarHBondContact O-N 3.41Å; P104-H107 VanDerWaalsContact O-N 3.12Å
105E96.9Very high96.1Very high136 Ų13673.2 Ų73.264%0.63637%0.37SS*.G310 helixtrans-63.7-20.7177.571.6-77.6-176.800114R103R103-E105 WeakPolarHBondContact CA-OE2 3.47Å; R103-E105 WeakPolarHBondContact CB-OE1 3.21Å; R103-E105 WeakPolarHBondContact CG-OE1 3.44Å; R103-E105 PolarHBondContact O-N 2.88Å; R103-E105 VanDerWaalsContact O-N 3.13Å
106L97.6Very high96.2Very high72 Ų7274.8 Ų74.838%0.37738%0.375SS..G310 helixtrans-92.3-11.6176.7-60.8-177.9000113R103 P104R103-L106 HydrophobicContact CB-CB 4.46Å; R103-L106 HydrophobicContact CB-CD1 3.93Å; R103-L106 HydrophobicContact CB-CG 4.08Å; R103-L106 PolarHBondContact O-N 3.21Å; P104-L106 PolarHBondContact O-N 3.07Å
107H98.2Very high96.3Very high33 Ų3372 Ų7215%0.15336%0.362CS..  trans-64.3143.7-175.1-63.7173.4000111.2L76 R103 P104 M116 Y117L76-H107 PolarHBondContact O-CE1 3.46Å; R103-H107 PolarHBondContact O-CD2 2.89Å; R103-H107 VanDerWaalsContact O-CD2 3.28Å; R103-H107 PolarHBondContact O-NE2 3.41Å; P104-H107 WeakPolarHBondContact O-CB 3.42Å; P104-H107 PolarHBondContact O-N 3.41Å; P104-H107 VanDerWaalsContact O-N 3.12Å; H107-M116 HydrophobicContact CB-CE 3.96Å; H107-Y117 CarbonylContact C-O 3.52Å; H107-Y117 VanDerWaalsContact CA-O 3.29Å; H107-Y117 WeakPolarHBondContact CA-O 3.35Å
108Q98Very high96.5Very high69 Ų6968.5 Ų68.532%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-130.8137.7-177.5-66-70.3-41.900109.2M116 Y117Q108-M116 CarbonylContact O-C 3.58Å; Q108-Y117 PolarHBondContact N-O 3.33Å; Q108-Y117 PolarHBondContact O-N 2.75Å
109A97.8Very high96.6Very high28 Ų2863.3 Ų63.323%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-94.1152.1168.700000110.8V115 M116 R123A109-V115 CarbonylContact C-O 3.48Å; A109-V115 WeakPolarHBondContact CA-O 3.12Å; A109-M116 HydrophobicContact CB-SD 3.77Å; A109-R123 WeakPolarHBondContact O-CD 3.34Å; A109-R123 PolarHBondContact O-NH1 3.32Å
110C97.4Very high96.7Very high8 Ų864.2 Ų64.25%0.05433%0.327CS..  trans-63.7128.3159177.70000108.7Q112 Q114 V115 Y117 H131C110-Q112 PolarHBondContact O-N 3.27Å; C110-Q112 VanDerWaalsContact O-N 3.11Å; C110-Q112 PolarHBondContact SG-N 3.25Å; C110-Q114 VanDerWaalsContact O-CA 3.25Å; C110-Q114 WeakPolarHBondContact O-CA 3.45Å; C110-Q114 PolarHBondContact O-N 2.66Å; C110-Q114 PolarHBondContact O-NE2 2.91Å; C110-V115 HydrophobicContact CB-CG1 3.94Å; C110-V115 PolarHBondContact N-O 3.09Å; C110-Y117 HydrophobicContact CB-CE2 4.22Å; C110-H131 PolarHBondContact SG-NE2 2.98Å
111P96.3Very high96.8Very high100 Ų10068.8 Ų68.865%0.64935%0.345SS*.THydrogen-bonded Turntrans-66.7-14.1-17927.5-35.3000113.6Q114P111-Q114 PolarHBondContact O-NE2 3.32Å
112Q95.7Very high97Very high133 Ų13361.4 Ų61.462%0.62132%0.32SS*.THydrogen-bonded Turntrans-99.6-57-177.2-63.2-173.1-9.500112.5C110 G137C110-Q112 PolarHBondContact O-N 3.27Å; C110-Q112 VanDerWaalsContact O-N 3.11Å; C110-Q112 PolarHBondContact SG-N 3.25Å; Q112-G137 CarbonylContact O-C 3.47Å
113C95.3Very high97.2Very high10 Ų1064.4 Ų64.47%0.06833%0.329CS..THydrogen-bonded Turntrans-103.41.5-176.669.50000114.6V115 H131 E140C113-V115 PolarHBondContact O-N 3.4Å; C113-H131 VanDerWaalsContact SG-CE1 3.55Å; C113-E140 HydrophobicContact CB-CB 4.31Å
114Q95.9Very high97.3Very high122 Ų12261.9 Ų61.957%0.5732%0.323SS*.  trans63.16.3179.2-55.1-58.2-50.900116.5C110 P111C110-Q114 VanDerWaalsContact O-CA 3.25Å; C110-Q114 WeakPolarHBondContact O-CA 3.45Å; C110-Q114 PolarHBondContact O-N 2.66Å; C110-Q114 PolarHBondContact O-NE2 2.91Å; P111-Q114 PolarHBondContact O-NE2 3.32Å
115V95.5Very high97.4Very high42 Ų4260.2 Ų60.226%0.25532%0.315SS..  trans-60.5143.9174.481.30000111.6E70 A109 C110 C113 Y117E70-V115 HydrophobicContact CB-CG1 4.38Å; E70-V115 HydrophobicContact CB-CG2 3.8Å; E70-V115 HydrophobicContact CG-CG1 4.19Å; E70-V115 HydrophobicContact CG-CG2 3.64Å; A109-V115 CarbonylContact C-O 3.48Å; A109-V115 WeakPolarHBondContact CA-O 3.12Å; C110-V115 HydrophobicContact CB-CG1 3.94Å; C110-V115 PolarHBondContact N-O 3.09Å; C113-V115 PolarHBondContact O-N 3.4Å; V115-Y117 HydrophobicContact CG1-CE2 3.66Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.44Å
116M97.6Very high97.5Very high77 Ų7753.7 Ų53.738%0.37929%0.285SS..EExtended strand (participates in β ladder)trans-98.6144.4-167.3-64-64-68.600113.5E70 L76 H107 Q108 A109E70-M116 PolarHBondContact N-O 3.36Å; L76-M116 HydrophobicContact CD1-CB 3.43Å; L76-M116 VanDerWaalsContact CD1-CB 3.43Å; H107-M116 HydrophobicContact CB-CE 3.96Å; Q108-M116 CarbonylContact O-C 3.58Å; A109-M116 HydrophobicContact CB-SD 3.77Å
117Y98.5Very high97.5Very high0 Ų051.1 Ų51.10%027%0.274CS..EExtended strand (participates in β ladder)trans-129.7145.5176.7-60.3-83.6000109.9E70 H107 Q108 C110 V115 S119 C122 R123 A126 H131E70-Y117 HydrophobicContact CB-CD1 4.26Å; E70-Y117 HydrophobicContact CB-CE1 3.72Å; E70-Y117 HydrophobicContact CG-CE1 4.45Å; E70-Y117 WeakPolarHBondContact OE2-CE1 3.37Å; E70-Y117 PolarHBondContact OE2-OH 2.87Å; H107-Y117 CarbonylContact C-O 3.52Å; H107-Y117 VanDerWaalsContact CA-O 3.29Å; H107-Y117 WeakPolarHBondContact CA-O 3.35Å; Q108-Y117 PolarHBondContact N-O 3.33Å; Q108-Y117 PolarHBondContact O-N 2.75Å; C110-Y117 HydrophobicContact CB-CE2 4.22Å; V115-Y117 HydrophobicContact CG1-CE2 3.66Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.44Å; Y117-S119 PolarHBondContact O-N 3.36Å; Y117-C122 HydrophobicContact CD1-CB 4.38Å; Y117-R123 HydrophobicContact CD1-CB 4.26Å; Y117-R123 HydrophobicContact CD2-CB 3.62Å; Y117-R123 HydrophobicContact CD2-CG 3.56Å; Y117-R123 HydrophobicContact CE2-CB 4.19Å; Y117-R123 HydrophobicContact CE2-CG 3.74Å; Y117-R123 HydrophobicContact CG-CB 3.65Å; Y117-R123 HydrophobicContact CG-CG 4.13Å; Y117-A126 HydrophobicContact CD1-CB 4.33Å; Y117-A126 HydrophobicContact CE1-CB 3.41Å; Y117-A126 VanDerWaalsContact CE1-CB 3.41Å; Y117-H131 PolarHBondContact OH-CE1 3.34Å; Y117-H131 VanDerWaalsContact OH-CG 3.31Å; Y117-H131 PolarHBondContact OH-ND1 3.32Å; Y117-H131 VanDerWaalsContact OH-ND1 3.12Å
118C97.8Very high97.4Very high10 Ų1053.7 Ų53.77%0.06829%0.289CS..SBendtrans-72.6-15.4179.466.50000113.6C69 R74 L76 C122C69-C118 HydrophobicContact CB-CB 4.03Å; C69-C118 PolarHBondContact SG-N 2.89Å; C69-C118 VanDerWaalsContact SG-SG 3.68Å; R74-C118 HydrophobicContact CB-CB 4.41Å; R74-C118 HydrophobicContact CG-CB 4.36Å; L76-C118 HydrophobicContact CD2-CB 3.56Å; C118-C122 PolarHBondContact SG-SG 3.2Å
119S98.1Very high97.4Very high21 Ų2151.8 Ų51.815%0.14728%0.28CS..SBendtrans-160.4169.4179.785.30000112.5Y117 E121 C122 R123Y117-S119 PolarHBondContact O-N 3.36Å; S119-E121 VanDerWaalsContact C-N 3.28Å; S119-E121 WeakPolarHBondContact CB-OE2 3.41Å; S119-E121 PolarHBondContact O-N 3.47Å; S119-E121 PolarHBondContact OG-N 2.95Å; S119-E121 PolarHBondContact OG-OE2 2.69Å; S119-C122 PolarHBondContact O-N 3.37Å; S119-C122 PolarHBondContact OG-N 3.19Å; S119-R123 PolarHBondContact O-N 2.86Å; S119-R123 VanDerWaalsContact O-N 3.14Å
120S98.1Very high97.4Very high55 Ų5550.7 Ų50.739%0.38527%0.27SS..Hα-helixtrans-64.7-34.1175.983.80000112.5R123 Q124S120-R123 PolarHBondContact O-N 3.31Å; S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 PolarHBondContact O-N 3.36Å
121E98Very high97.4Very high125 Ų12551 Ų5158%0.58427%0.27SS*.Hα-helixtrans-68.4-43.5178.3-56.970.9-151.800110.5S119 Q124 A125S119-E121 VanDerWaalsContact C-N 3.28Å; S119-E121 WeakPolarHBondContact CB-OE2 3.41Å; S119-E121 PolarHBondContact O-N 3.47Å; S119-E121 PolarHBondContact OG-N 2.95Å; S119-E121 PolarHBondContact OG-OE2 2.69Å; E121-Q124 PolarHBondContact O-N 3.25Å; E121-A125 VanDerWaalsContact O-CB 3.26Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 2.82Å
122C98.3Very high97.4Very high19 Ų1953.4 Ų53.413%0.12827%0.267CS..Hα-helixtrans-64.6-41.5175.8-75.20000111.9Y71 Y117 C118 S119 Q124 A125 A126Y71-C122 HydrophobicContact CD1-CB 4.14Å; Y71-C122 HydrophobicContact CG-CB 4.49Å; Y117-C122 HydrophobicContact CD1-CB 4.38Å; C118-C122 PolarHBondContact SG-SG 3.2Å; S119-C122 PolarHBondContact O-N 3.37Å; S119-C122 PolarHBondContact OG-N 3.19Å; C122-Q124 PolarHBondContact O-N 3.33Å; C122-A125 PolarHBondContact O-N 3.07Å; C122-A126 WeakPolarHBondContact O-CB 3.28Å; C122-A126 PolarHBondContact O-N 2.86Å
123R98.5Very high97.5Very high81 Ų8149.8 Ų49.831%0.30625%0.253SS..Hα-helixtrans-60.6-46175-174.2-17872.21691.3111.3A109 Y117 S119 S120 A127A109-R123 WeakPolarHBondContact O-CD 3.34Å; A109-R123 PolarHBondContact O-NH1 3.32Å; Y117-R123 HydrophobicContact CD1-CB 4.26Å; Y117-R123 HydrophobicContact CD2-CB 3.62Å; Y117-R123 HydrophobicContact CD2-CG 3.56Å; Y117-R123 HydrophobicContact CE2-CB 4.19Å; Y117-R123 HydrophobicContact CE2-CG 3.74Å; Y117-R123 HydrophobicContact CG-CB 3.65Å; Y117-R123 HydrophobicContact CG-CG 4.13Å; S119-R123 PolarHBondContact O-N 2.86Å; S119-R123 VanDerWaalsContact O-N 3.14Å; S120-R123 PolarHBondContact O-N 3.31Å; R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 3.24Å
124Q98.4Very high97.6Very high92 Ų9250.2 Ų50.243%0.4326%0.255SS..Hα-helixtrans-66.3-43.4179.5-173.559.150.100111.4S120 E121 C122 A126 A127 D128S120-Q124 WeakPolarHBondContact O-CB 3.35Å; S120-Q124 PolarHBondContact O-N 3.36Å; E121-Q124 PolarHBondContact O-N 3.25Å; C122-Q124 PolarHBondContact O-N 3.33Å; Q124-A126 PolarHBondContact O-N 3.33Å; Q124-A127 WeakPolarHBondContact O-CB 3.34Å; Q124-A127 PolarHBondContact O-N 2.93Å; Q124-D128 PolarHBondContact NE2-OD1 3.32Å; Q124-D128 VanDerWaalsContact NE2-OD1 3.09Å; Q124-D128 PolarHBondContact NE2-OD2 3.21Å; Q124-D128 PolarHBondContact O-N 3.42Å
125A97.8Very high97.6Very high31 Ų3145.6 Ų45.626%0.25624%0.236SC..Hα-helixtrans-60.8-44.8177.200000112Y71 E121 C122 D128 Q129Y71-A125 HydrophobicContact CD1-CB 4.11Å; Y71-A125 HydrophobicContact CD2-CB 4.41Å; Y71-A125 HydrophobicContact CE1-CB 3.63Å; Y71-A125 HydrophobicContact CE2-CB 3.98Å; Y71-A125 HydrophobicContact CG-CB 4.48Å; E121-A125 VanDerWaalsContact O-CB 3.26Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 2.82Å; C122-A125 PolarHBondContact O-N 3.07Å; A125-D128 PolarHBondContact O-N 2.8Å; A125-Q129 WeakPolarHBondContact O-CB 3.31Å; A125-Q129 PolarHBondContact O-N 2.92Å
126A98.3Very high97.6Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-61.6-46.2173.800000111.8Y71 Y117 C122 Q124 D128 Q129 Y130 H131Y71-A126 HydrophobicContact CD2-CB 3.81Å; Y71-A126 HydrophobicContact CG-CB 4.26Å; Y117-A126 HydrophobicContact CD1-CB 4.33Å; Y117-A126 HydrophobicContact CE1-CB 3.41Å; Y117-A126 VanDerWaalsContact CE1-CB 3.41Å; C122-A126 WeakPolarHBondContact O-CB 3.28Å; C122-A126 PolarHBondContact O-N 2.86Å; Q124-A126 PolarHBondContact O-N 3.33Å; A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 3.24Å; A126-Q129 PolarHBondContact O-N 2.67Å; A126-Y130 HydrophobicContact CB-CE1 4.48Å; A126-Y130 HydrophobicContact CB-CE2 4.47Å; A126-Y130 PolarHBondContact O-N 2.75Å; A126-H131 HydrophobicContact CB-CB 4.06Å; A126-H131 VanDerWaalsContact O-CB 3.27Å; A126-H131 WeakPolarHBondContact O-CB 3.42Å; A126-H131 PolarHBondContact O-N 3.31Å
127A98Very high97.4Very high18 Ų1841 Ų4115%0.14921%0.212CC..Iπ-helixtrans-56.4-45.2176.900000111.9R123 Q124 Q129 R132 Q178R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 3.24Å; Q124-A127 WeakPolarHBondContact O-CB 3.34Å; Q124-A127 PolarHBondContact O-N 2.93Å; A127-Q129 VanDerWaalsContact C-N 3.35Å; A127-R132 WeakPolarHBondContact O-CG 3.32Å; A127-R132 PolarHBondContact O-NE 3.28Å; A127-Q178 PolarHBondContact O-NE2 3.33Å; A127-Q178 VanDerWaalsContact O-NE2 3.11Å; A127-Q178 PolarHBondContact O-OE1 2.94Å
128D96.9Very high97.2Very high86 Ų8647.3 Ų47.346%0.4625%0.253SS..Iπ-helixtrans-73.2-27.2179.9-69-31.8000113.2Q124 A125 A126 R132Q124-D128 PolarHBondContact NE2-OD1 3.32Å; Q124-D128 VanDerWaalsContact NE2-OD1 3.09Å; Q124-D128 PolarHBondContact NE2-OD2 3.21Å; Q124-D128 PolarHBondContact O-N 3.42Å; A125-D128 PolarHBondContact O-N 2.8Å; A126-D128 VanDerWaalsContact C-N 3.32Å; A126-D128 PolarHBondContact O-N 3.24Å; D128-R132 IonicContact OD1-CZ 2.96Å; D128-R132 IonicContact OD1-NH2 3.59Å; D128-R132 PolarHBondContact OD1-NH2 3.42Å
129Q96.8Very high97Very high29 Ų2948.7 Ų48.714%0.13626%0.263CS..Iπ-helixtrans-92.7-55.2-172.6-167.8173.9-800113.4L53 Y71 A125 A126 A127 V175 Q178 W185L53-Q129 PolarHBondContact O-NE2 2.78Å; Y71-Q129 VanDerWaalsContact CE2-OE1 3.28Å; Y71-Q129 PolarHBondContact OH-OE1 3.28Å; Y71-Q129 VanDerWaalsContact OH-OE1 3.08Å; A125-Q129 WeakPolarHBondContact O-CB 3.31Å; A125-Q129 PolarHBondContact O-N 2.92Å; A126-Q129 PolarHBondContact O-N 2.67Å; A127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-V175 HydrophobicContact CG-CG2 3.99Å; Q129-Q178 PolarHBondContact O-NE2 2.9Å; Q129-Q178 VanDerWaalsContact O-NE2 3.16Å; Q129-W185 HydrophobicContact CG-CH2 4.43Å
130Y97.8Very high96.6Very high5 Ų550.3 Ų50.32%0.0227%0.269CS..Iπ-helixtrans-144.1-22.8-177.459.9-98000115.4E70 Y71 A126 R132 V133 L134 K171 V175 Q178E70-Y130 PolarHBondContact O-OH 3.28Å; E70-Y130 VanDerWaalsContact O-OH 3.07Å; E70-Y130 WeakPolarHBondContact OE1-CE2 3.23Å; E70-Y130 PolarHBondContact OE1-OH 2.99Å; E70-Y130 VanDerWaalsContact OE2-CE2 3.29Å; E70-Y130 WeakPolarHBondContact OE2-CE2 3.43Å; E70-Y130 VanDerWaalsContact OE2-CZ 3.31Å; E70-Y130 PolarHBondContact OE2-OH 2.8Å; Y71-Y130 WeakPolarHBondContact CA-OH 3.32Å; Y71-Y130 AromaticContact CD2-CE1 4Å; Y71-Y130 HydrophobicContact CD2-CE1 4Å; Y71-Y130 HydrophobicContact CE2-CE1 4.28Å; A126-Y130 HydrophobicContact CB-CE1 4.48Å; A126-Y130 HydrophobicContact CB-CE2 4.47Å; A126-Y130 PolarHBondContact O-N 2.75Å; Y130-R132 VanDerWaalsContact C-N 3.33Å; Y130-R132 PolarHBondContact O-N 2.89Å; Y130-V133 PolarHBondContact O-N 3.37Å; Y130-V133 VanDerWaalsContact O-N 3.1Å; Y130-L134 HydrophobicContact CD2-CD1 4.12Å; Y130-L134 PolarHBondContact O-N 3.14Å; Y130-K171 HydrophobicContact CD2-CD 4.43Å; Y130-K171 HydrophobicContact CD2-CG 4.21Å; Y130-K171 HydrophobicContact CE1-CD 4.41Å; Y130-K171 HydrophobicContact CE2-CD 4.19Å; Y130-K171 HydrophobicContact CE2-CG 4.42Å; Y130-K171 HydrophobicContact CG-CG 4.45Å; Y130-K171 PolarHBondContact OH-NZ 3.06Å; Y130-K171 VanDerWaalsContact OH-NZ 3.08Å; Y130-V175 HydrophobicContact CD1-CG2 4.26Å; Y130-V175 HydrophobicContact CG-CG2 4.47Å; Y130-Q178 VanDerWaalsContact C-NE2 3.31Å
131H97.9Very high96.1Very high15 Ų1556.1 Ų56.17%0.06929%0.29CS..Iπ-helixtrans-66.5-30.5-162.7179.673.1000113.3C110 C113 Y117 A126 V133 L134 C135C110-H131 PolarHBondContact SG-NE2 2.98Å; C113-H131 VanDerWaalsContact SG-CE1 3.55Å; Y117-H131 PolarHBondContact OH-CE1 3.34Å; Y117-H131 VanDerWaalsContact OH-CG 3.31Å; Y117-H131 PolarHBondContact OH-ND1 3.32Å; Y117-H131 VanDerWaalsContact OH-ND1 3.12Å; A126-H131 HydrophobicContact CB-CB 4.06Å; A126-H131 VanDerWaalsContact O-CB 3.27Å; A126-H131 WeakPolarHBondContact O-CB 3.42Å; A126-H131 PolarHBondContact O-N 3.31Å; H131-V133 PolarHBondContact O-N 3.25Å; H131-V133 VanDerWaalsContact O-N 3.17Å; H131-L134 CarbonylContact O-C 3.59Å; H131-L134 PolarHBondContact O-N 2.81Å; H131-L134 VanDerWaalsContact O-N 3.11Å; H131-C135 WeakPolarHBondContact O-CA 3.44Å; H131-C135 WeakPolarHBondContact O-CB 3.29Å; H131-C135 PolarHBondContact O-N 3.22Å
132R96.9Very high95.9Very high151 Ų15153 Ų5357%0.5728%0.277SS*.Hα-helixtrans-61.8-27.7177.3-58-177.3-166.4138.73.9113.2A127 D128 Y130 Q178A127-R132 WeakPolarHBondContact O-CG 3.32Å; A127-R132 PolarHBondContact O-NE 3.28Å; D128-R132 IonicContact OD1-CZ 2.96Å; D128-R132 IonicContact OD1-NH2 3.59Å; D128-R132 PolarHBondContact OD1-NH2 3.42Å; Y130-R132 VanDerWaalsContact C-N 3.33Å; Y130-R132 PolarHBondContact O-N 2.89Å; R132-Q178 VanDerWaalsContact CB-OE1 3.23Å
133V96.9Very high95.7Very high56 Ų5656 Ų5634%0.33930%0.297SS..Hα-helixtrans-82.1-31.9177.4174.30000111.6Y130 H131 A174 K177 Q178Y130-V133 PolarHBondContact O-N 3.37Å; Y130-V133 VanDerWaalsContact O-N 3.1Å; H131-V133 PolarHBondContact O-N 3.25Å; H131-V133 VanDerWaalsContact O-N 3.17Å; V133-A174 HydrophobicContact CB-CB 3.95Å; V133-A174 HydrophobicContact CG1-CB 3.9Å; V133-K177 HydrophobicContact CG1-CB 4.32Å; V133-K177 HydrophobicContact CG1-CD 4.13Å; V133-K177 HydrophobicContact CG2-CB 4.07Å; V133-Q178 HydrophobicContact CG2-CB 4.01Å
134L97.1Very high95.5Very high20 Ų2057.3 Ų57.311%0.10531%0.31CS..Hα-helixtrans-100.8-4.7-176.9-65.4178.6000114.4Y130 H131 L136 I147 A170 K171 A174 L227Y130-L134 HydrophobicContact CD2-CD1 4.12Å; Y130-L134 PolarHBondContact O-N 3.14Å; H131-L134 CarbonylContact O-C 3.59Å; H131-L134 PolarHBondContact O-N 2.81Å; H131-L134 VanDerWaalsContact O-N 3.11Å; L134-L136 WeakPolarHBondContact O-CD2 3.21Å; L134-L136 PolarHBondContact O-N 3.49Å; L134-I147 HydrophobicContact CD2-CD1 4.28Å; L134-A170 HydrophobicContact CD2-CB 4.31Å; L134-K171 HydrophobicContact CD1-CB 4.49Å; L134-K171 HydrophobicContact CD1-CG 3.73Å; L134-A174 HydrophobicContact CD1-CB 3.67Å; L134-A174 HydrophobicContact CD2-CB 4.03Å; L134-A174 HydrophobicContact CG-CB 3.52Å; L134-L227 HydrophobicContact CD2-CD2 3.69Å
135C96.8Very high95.4Very high25 Ų2555.2 Ų55.217%0.16930%0.3CS..  trans-68.3113.2179.1177.20000109.4H131 G137H131-C135 WeakPolarHBondContact O-CA 3.44Å; H131-C135 WeakPolarHBondContact O-CB 3.29Å; H131-C135 PolarHBondContact O-N 3.22Å; C135-G137 PolarHBondContact O-N 3.14Å
136L94.8Very high95.3Very high15 Ų1555.3 Ų55.38%0.07930%0.298CS..  trans-78.2-11.1-179.7-51.9-170.7000112.5L134 S139 E140 H145 I147 N148L134-L136 WeakPolarHBondContact O-CD2 3.21Å; L134-L136 PolarHBondContact O-N 3.49Å; L136-S139 WeakPolarHBondContact O-CB 3.21Å; L136-S139 PolarHBondContact O-N 3.45Å; L136-E140 HydrophobicContact CB-CB 4.34Å; L136-E140 WeakPolarHBondContact CB-OE2 3.44Å; L136-E140 WeakPolarHBondContact CG-OE2 3.3Å; L136-H145 WeakPolarHBondContact CD2-CE1 3.33Å; L136-I147 HydrophobicContact CD1-CB 4.44Å; L136-I147 HydrophobicContact CD1-CG2 4.2Å; L136-I147 HydrophobicContact CD2-CB 3.95Å; L136-I147 HydrophobicContact CD2-CG1 4.05Å; L136-I147 HydrophobicContact CD2-CG2 4.14Å; L136-N148 WeakPolarHBondContact CD1-OD1 3.35Å
137G94.7Very high95.2Very high6 Ų655.7 Ų55.76%0.06230%0.3CS..G310 helixtrans53.3-130-177.100000111.5Q112 C135 S139 E140Q112-G137 CarbonylContact O-C 3.47Å; C135-G137 PolarHBondContact O-N 3.14Å; G137-S139 PolarHBondContact O-N 3.01Å; G137-E140 PolarHBondContact O-N 3.14Å
138P92.8Very high95.1Very high133 Ų13355.6 Ų55.686%0.86430%0.297SS*.G310 helixtrans-62.6-17.9176.2-21.833.8000115E140P138-E140 VanDerWaalsContact C-N 3.28Å; P138-E140 PolarHBondContact O-N 3.48Å
139S93.6Very high95.1Very high39 Ų3954.8 Ų54.827%0.27329%0.289SS..G310 helixtrans-86.911.4179.9-62.60000113.3L136 G137 E141 D142 N148L136-S139 WeakPolarHBondContact O-CB 3.21Å; L136-S139 PolarHBondContact O-N 3.45Å; G137-S139 PolarHBondContact O-N 3.01Å; S139-E141 PolarHBondContact O-N 3.36Å; S139-D142 WeakPolarHBondContact O-CB 3.4Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 VanDerWaalsContact O-N 3.08Å; S139-N148 PolarHBondContact O-ND2 3.33Å
140E89.4Confident95Very high55 Ų5553.4 Ų53.426%0.25728%0.282SS..THydrogen-bonded Turntrans-56.1-41.2178.2-170.965.3-145.400111.9C113 L136 G137 P138 N148 K151C113-E140 HydrophobicContact CB-CB 4.31Å; L136-E140 HydrophobicContact CB-CB 4.34Å; L136-E140 WeakPolarHBondContact CB-OE2 3.44Å; L136-E140 WeakPolarHBondContact CG-OE2 3.3Å; G137-E140 PolarHBondContact O-N 3.14Å; P138-E140 VanDerWaalsContact C-N 3.28Å; P138-E140 PolarHBondContact O-N 3.48Å; E140-N148 PolarHBondContact O-ND2 2.89Å; E140-K151 IonicContact OE1-NZ 2.75Å
141E88.7Confident94.8Very high177 Ų17754.6 Ų54.683%0.82729%0.288SS*.THydrogen-bonded Turntrans-93.98.3179.2-58.7-65.1154.700113.2S139 P143S139-E141 PolarHBondContact O-N 3.36Å; E141-P143 VanDerWaalsContact O-CD 3.28Å; E141-P143 WeakPolarHBondContact O-CD 3.41Å
142D94.1Very high94.5Very high59 Ų5957.3 Ų57.332%0.31630%0.303SS..  trans-83.1109.8-180179.53.7000110.3S139 D144 H145 N148S139-D142 WeakPolarHBondContact O-CB 3.4Å; S139-D142 PolarHBondContact O-N 3.43Å; S139-D142 VanDerWaalsContact O-N 3.08Å; D142-D144 PolarHBondContact O-N 3.02Å; D142-D144 WeakPolarHBondContact OD1-CB 3.18Å; D142-D144 PolarHBondContact OD1-N 3.43Å; D142-H145 HydrophobicContact CB-CB 4.16Å; D142-H145 WeakPolarHBondContact O-CB 3.39Å; D142-H145 PolarHBondContact O-N 3.08Å; D142-N148 WeakPolarHBondContact O-CB 3.24Å; D142-N148 PolarHBondContact O-ND2 3.31Å
143P93.3Very high94.2Very high84 Ų8451 Ų5155%0.54528%0.283SS..THydrogen-bonded Turntrans-67.6-20.7-179.330.4-36.1000112.3E141 H145 K149E141-P143 VanDerWaalsContact O-CD 3.28Å; E141-P143 WeakPolarHBondContact O-CD 3.41Å; P143-H145 VanDerWaalsContact C-N 3.33Å; P143-K149 WeakPolarHBondContact O-CG 3.31Å
144D95.1Very high93.9Very high108 Ų10848.3 Ų48.358%0.57827%0.267SS*.THydrogen-bonded Turntrans-83.2-12.7180-86-52.2000113.6D142 K149D142-D144 PolarHBondContact O-N 3.02Å; D142-D144 WeakPolarHBondContact OD1-CB 3.18Å; D142-D144 PolarHBondContact OD1-N 3.43Å; D144-K149 WeakPolarHBondContact O-CE 3.26Å; D144-K149 PolarHBondContact O-NZ 3.44Å; D144-K149 WeakPolarHBondContact OD1-CE 3.25Å; D144-K149 IonicContact OD1-NZ 3.72Å; D144-K149 PolarHBondContact OD1-NZ 3.48Å
145H95.9Very high93.5Very high48 Ų4849.6 Ų49.622%0.22227%0.27CS..SBendtrans-62.3132178.6-170.5-80.8000110.8L136 D142 P143 I147 N148 K149L136-H145 WeakPolarHBondContact CD2-CE1 3.33Å; D142-H145 HydrophobicContact CB-CB 4.16Å; D142-H145 WeakPolarHBondContact O-CB 3.39Å; D142-H145 PolarHBondContact O-N 3.08Å; P143-H145 VanDerWaalsContact C-N 3.33Å; H145-I147 VanDerWaalsContact C-N 3.27Å; H145-I147 PolarHBondContact ND1-N 3.11Å; H145-I147 PolarHBondContact O-N 3.36Å; H145-I147 VanDerWaalsContact O-N 3.1Å; H145-N148 HydrophobicContact CB-CB 4.39Å; H145-N148 WeakPolarHBondContact O-CA 3.22Å; H145-N148 PolarHBondContact O-N 3.35Å; H145-K149 PolarHBondContact O-N 3Å
146P96Very high92.8Very high33 Ų3351.6 Ų51.621%0.21428%0.284CS..Hα-helixtrans-53.9-37.5-174.3-31.136.4000115.1L150 E225 A226P146-L150 WeakPolarHBondContact O-CB 3.45Å; P146-L150 PolarHBondContact O-N 3Å; P146-E225 HydrophobicContact CB-CG 4.26Å; P146-E225 HydrophobicContact CG-CG 4.31Å; P146-A226 HydrophobicContact CB-CB 3.66Å
147I96.3Very high92Very high8 Ų851.9 Ų51.94%0.04129%0.286CS..Hα-helixtrans-65.9-38.4175.1-65.8-72.4000111.9L134 L136 H145 L150 K151 M167 A226 L227L134-I147 HydrophobicContact CD2-CD1 4.28Å; L136-I147 HydrophobicContact CD1-CB 4.44Å; L136-I147 HydrophobicContact CD1-CG2 4.2Å; L136-I147 HydrophobicContact CD2-CB 3.95Å; L136-I147 HydrophobicContact CD2-CG1 4.05Å; L136-I147 HydrophobicContact CD2-CG2 4.14Å; H145-I147 VanDerWaalsContact C-N 3.27Å; H145-I147 PolarHBondContact ND1-N 3.11Å; H145-I147 PolarHBondContact O-N 3.36Å; H145-I147 VanDerWaalsContact O-N 3.1Å; I147-L150 WeakPolarHBondContact O-CB 3.47Å; I147-L150 PolarHBondContact O-N 3.1Å; I147-K151 HydrophobicContact CG2-CD 4.47Å; I147-K151 WeakPolarHBondContact O-CG 3.43Å; I147-K151 PolarHBondContact O-N 3.32Å; I147-M167 HydrophobicContact CG2-CE 4.24Å; I147-A226 HydrophobicContact CD1-CB 3.72Å; I147-A226 HydrophobicContact CG1-CB 4.14Å; I147-L227 HydrophobicContact CD1-CD1 4.24Å; I147-L227 HydrophobicContact CD1-CD2 3.74Å; I147-L227 HydrophobicContact CD1-CG 3.88Å
148N95.6Very high90.9Very high16 Ų1652.4 Ų52.49%0.08629%0.287CS..Hα-helixtrans-72.1-40.6179.6-72.3-21.2000110.8L136 S139 E140 D142 H145 L150 K151 D152L136-N148 WeakPolarHBondContact CD1-OD1 3.35Å; S139-N148 PolarHBondContact O-ND2 3.33Å; E140-N148 PolarHBondContact O-ND2 2.89Å; D142-N148 WeakPolarHBondContact O-CB 3.24Å; D142-N148 PolarHBondContact O-ND2 3.31Å; H145-N148 HydrophobicContact CB-CB 4.39Å; H145-N148 WeakPolarHBondContact O-CA 3.22Å; H145-N148 PolarHBondContact O-N 3.35Å; N148-L150 VanDerWaalsContact C-N 3.27Å; N148-L150 PolarHBondContact O-N 2.88Å; N148-K151 WeakPolarHBondContact O-CB 3.17Å; N148-K151 PolarHBondContact O-N 2.74Å; N148-K151 VanDerWaalsContact O-N 3.09Å; N148-K151 PolarHBondContact OD1-NZ 3.2Å; N148-D152 PolarHBondContact O-N 3.15Å
149K95.8Very high89.7Confident68 Ų6853.9 Ų53.930%0.29628%0.277SS..Hα-helixtrans-55-41.7168.7-69.7-178.5166.8144.40112.8P143 D144 H145 D152 A153 L222P143-K149 WeakPolarHBondContact O-CG 3.31Å; D144-K149 WeakPolarHBondContact O-CE 3.26Å; D144-K149 PolarHBondContact O-NZ 3.44Å; D144-K149 WeakPolarHBondContact OD1-CE 3.25Å; D144-K149 IonicContact OD1-NZ 3.72Å; D144-K149 PolarHBondContact OD1-NZ 3.48Å; H145-K149 PolarHBondContact O-N 3Å; K149-D152 PolarHBondContact O-N 2.87Å; K149-A153 VanDerWaalsContact O-CB 3.28Å; K149-A153 WeakPolarHBondContact O-CB 3.38Å; K149-A153 PolarHBondContact O-N 3.14Å; K149-L222 HydrophobicContact CB-CD2 3.95Å
150L95.1Very high88.5Confident0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-64.4-43.6175.9-17966.2000112.3P146 I147 N148 W154 I166 L219 L222 F223 L227P146-L150 WeakPolarHBondContact O-CB 3.45Å; P146-L150 PolarHBondContact O-N 3Å; I147-L150 WeakPolarHBondContact O-CB 3.47Å; I147-L150 PolarHBondContact O-N 3.1Å; N148-L150 VanDerWaalsContact C-N 3.27Å; N148-L150 PolarHBondContact O-N 2.88Å; L150-W154 WeakPolarHBondContact O-CB 3.48Å; L150-W154 PolarHBondContact O-N 2.86Å; L150-I166 HydrophobicContact CD1-CD1 4.46Å; L150-I166 HydrophobicContact CD1-CG1 3.81Å; L150-I166 HydrophobicContact CD2-CG1 3.99Å; L150-I166 HydrophobicContact CG-CG1 3.89Å; L150-I166 HydrophobicContact CG-CG2 4.39Å; L150-L219 HydrophobicContact CD1-CD2 4.28Å; L150-L222 HydrophobicContact CB-CB 4.42Å; L150-L222 HydrophobicContact CD1-CB 3.98Å; L150-F223 HydrophobicContact CD1-CB 4.15Å; L150-F223 HydrophobicContact CD2-CD2 3.92Å; L150-L227 HydrophobicContact CD2-CD1 4.38Å
151K94.3Very high87.4Confident31 Ų3156.8 Ų56.814%0.13530%0.299CS..Hα-helixtrans-61.9-43.4175.6-67.9170.8-174.4164.40111.3L59 E140 I147 N148 W154 R155 M167L59-K151 HydrophobicContact CD1-CB 3.9Å; L59-K151 HydrophobicContact CD1-CG 4.09Å; L59-K151 HydrophobicContact CD2-CB 4.21Å; L59-K151 HydrophobicContact CD2-CD 4.14Å; L59-K151 HydrophobicContact CD2-CG 3.86Å; E140-K151 IonicContact OE1-NZ 2.75Å; I147-K151 HydrophobicContact CG2-CD 4.47Å; I147-K151 WeakPolarHBondContact O-CG 3.43Å; I147-K151 PolarHBondContact O-N 3.32Å; N148-K151 WeakPolarHBondContact O-CB 3.17Å; N148-K151 PolarHBondContact O-N 2.74Å; N148-K151 VanDerWaalsContact O-N 3.09Å; N148-K151 PolarHBondContact OD1-NZ 3.2Å; K151-W154 PolarHBondContact O-N 3.38Å; K151-R155 PolarHBondContact O-N 2.98Å; K151-R155 VanDerWaalsContact O-N 3.09Å; K151-M167 HydrophobicContact CG-CG 4.34Å; K151-M167 HydrophobicContact CG-SD 3.79Å
152D91.9Very high86.6Confident71 Ų7149.1 Ų49.138%0.3826%0.264SS..Hα-helixtrans-65.7-48179.5-70.4-28.5000111.7N148 K149 W154 R155 S156N148-D152 PolarHBondContact O-N 3.15Å; K149-D152 PolarHBondContact O-N 2.87Å; D152-W154 VanDerWaalsContact C-N 3.26Å; D152-W154 PolarHBondContact O-N 2.91Å; D152-R155 PolarHBondContact O-N 3.45Å; D152-R155 VanDerWaalsContact O-N 3.16Å; D152-R155 IonicContact OD1-CZ 3.62Å; D152-R155 IonicContact OD1-NE 3.88Å; D152-R155 IonicContact OD1-NH2 2.61Å; D152-R155 PolarHBondContact OD1-NH2 3.16Å; D152-S156 PolarHBondContact O-N 2.94Å
153A90.9Very high85.5Confident18 Ų1851.2 Ų51.215%0.14928%0.279CS..Hα-helixtrans-59.5-38.2176.500000111.8K149 S156 V157 L219 L222K149-A153 VanDerWaalsContact O-CB 3.28Å; K149-A153 WeakPolarHBondContact O-CB 3.38Å; K149-A153 PolarHBondContact O-N 3.14Å; A153-S156 PolarHBondContact O-N 3.19Å; A153-S156 PolarHBondContact O-OG 3.08Å; A153-V157 WeakPolarHBondContact O-CG2 3.41Å; A153-L219 HydrophobicContact CB-CD2 3.83Å; A153-L222 HydrophobicContact CB-CD1 3.46Å; A153-L222 VanDerWaalsContact CB-CD1 3.46Å
154W89Confident84.7Confident1 Ų147.5 Ų47.50%0.00426%0.255CS..Hα-helixtrans-61.8-49174.1-177.6-97.9000112.3L59 L150 K151 D152 S156 V157 H158 E162 S164 I166 L219 F245L59-W154 HydrophobicContact CD1-CB 4.13Å; L59-W154 HydrophobicContact CD1-CG 4.13Å; L150-W154 WeakPolarHBondContact O-CB 3.48Å; L150-W154 PolarHBondContact O-N 2.86Å; K151-W154 PolarHBondContact O-N 3.38Å; D152-W154 VanDerWaalsContact C-N 3.26Å; D152-W154 PolarHBondContact O-N 2.91Å; W154-S156 VanDerWaalsContact C-N 3.25Å; W154-S156 PolarHBondContact O-N 3.1Å; W154-V157 WeakPolarHBondContact O-CG2 3.39Å; W154-V157 PolarHBondContact O-N 3.33Å; W154-V157 VanDerWaalsContact O-N 3.09Å; W154-H158 AromaticContact CE2-CG 3.9Å; W154-H158 AromaticContact CH2-CD2 3.8Å; W154-H158 AromaticContact CH2-CE1 3.8Å; W154-H158 AromaticContact CH2-NE2 3.56Å; W154-H158 HydrophobicContact CZ2-CB 4.41Å; W154-H158 AromaticContact CZ2-CD2 3.6Å; W154-H158 AromaticContact CZ2-CG 3.83Å; W154-H158 AromaticContact CZ2-NE2 3.88Å; W154-H158 AromaticContact CZ3-CE1 3.81Å; W154-H158 PolarHBondContact O-N 3.36Å; W154-E162 PolarHBondContact NE1-OE1 3.41Å; W154-S164 VanDerWaalsContact CZ2-O 3.29Å; W154-S164 WeakPolarHBondContact CZ2-O 3.28Å; W154-I166 HydrophobicContact CB-CB 4.31Å; W154-I166 HydrophobicContact CB-CG2 3.67Å; W154-I166 HydrophobicContact CD2-CB 3.65Å; W154-I166 HydrophobicContact CD2-CG2 3.86Å; W154-I166 HydrophobicContact CE3-CB 3.54Å; W154-I166 HydrophobicContact CE3-CD1 4.33Å; W154-I166 HydrophobicContact CE3-CG1 4.21Å; W154-I166 HydrophobicContact CE3-CG2 4.18Å; W154-I166 HydrophobicContact CG-CB 4.02Å; W154-I166 HydrophobicContact CG-CG2 3.65Å; W154-I166 HydrophobicContact CZ3-CB 4.01Å; W154-I166 HydrophobicContact CZ3-CD1 4.3Å; W154-L219 HydrophobicContact CE3-CD1 4.1Å; W154-L219 HydrophobicContact CE3-CD2 4.49Å; W154-L219 HydrophobicContact CZ3-CD1 4.37Å; W154-F245 HydrophobicContact CH2-CE1 4.43Å; W154-F245 AromaticContact CH2-CE2 3.93Å; W154-F245 HydrophobicContact CH2-CE2 3.93Å; W154-F245 AromaticContact CH2-CZ 3.56Å; W154-F245 HydrophobicContact CH2-CZ 3.56Å; W154-F245 AromaticContact CZ3-CE2 3.49Å; W154-F245 HydrophobicContact CZ3-CE2 3.49Å; W154-F245 VanDerWaalsContact CZ3-CE2 3.49Å; W154-F245 AromaticContact CZ3-CZ 3.49Å; W154-F245 HydrophobicContact CZ3-CZ 3.49Å; W154-F245 VanDerWaalsContact CZ3-CZ 3.49Å
155R88.6Confident84.2Confident47 Ų4742.4 Ų42.418%0.17723%0.228CC..Hα-helixtrans-61.2-34.2179-74.5-172.1-70.8-1274.1112.7L59 W60 K151 D152 V157L59-R155 HydrophobicContact CB-CG 3.95Å; L59-R155 HydrophobicContact CD1-CG 4.5Å; W60-R155 HydrophobicContact CZ2-CB 4.01Å; W60-R155 HydrophobicContact CZ2-CG 4.45Å; W60-R155 WeakPolarHBondContact CZ2-O 3.42Å; K151-R155 PolarHBondContact O-N 2.98Å; K151-R155 VanDerWaalsContact O-N 3.09Å; D152-R155 PolarHBondContact O-N 3.45Å; D152-R155 VanDerWaalsContact O-N 3.16Å; D152-R155 IonicContact OD1-CZ 3.62Å; D152-R155 IonicContact OD1-NE 3.88Å; D152-R155 IonicContact OD1-NH2 2.61Å; D152-R155 PolarHBondContact OD1-NH2 3.16Å; R155-V157 PolarHBondContact O-N 3.11Å
156S83.7Confident83.9Confident67 Ų6740.1 Ų40.147%0.46922%0.217SC..Hα-helixtrans-69.5-15177.864.10000114.7D152 A153 W154D152-S156 PolarHBondContact O-N 2.94Å; A153-S156 PolarHBondContact O-N 3.19Å; A153-S156 PolarHBondContact O-OG 3.08Å; W154-S156 VanDerWaalsContact C-N 3.25Å; W154-S156 PolarHBondContact O-N 3.1Å
157V76.3Confident83.9Confident20 Ų2039.4 Ų39.412%0.12121%0.211CC..Hα-helixtrans-120.5-13.4-174.8-56.70000114A153 W154 R155 Q215 L219A153-V157 WeakPolarHBondContact O-CG2 3.41Å; W154-V157 WeakPolarHBondContact O-CG2 3.39Å; W154-V157 PolarHBondContact O-N 3.33Å; W154-V157 VanDerWaalsContact O-N 3.09Å; R155-V157 PolarHBondContact O-N 3.11Å; V157-Q215 HydrophobicContact CB-CG 4.46Å; V157-Q215 HydrophobicContact CG1-CB 3.95Å; V157-Q215 HydrophobicContact CG1-CG 3.67Å; V157-L219 HydrophobicContact CG2-CD1 3.92Å
158H72.4Confident83.8Confident18 Ų1839 Ų398%0.08321%0.209CC..SBendtrans-125.792.7176.6-76.361.6000108.2W60 W154 F245W60-H158 PolarHBondContact NE1-O 3.14Å; W154-H158 AromaticContact CE2-CG 3.9Å; W154-H158 AromaticContact CH2-CD2 3.8Å; W154-H158 AromaticContact CH2-CE1 3.8Å; W154-H158 AromaticContact CH2-NE2 3.56Å; W154-H158 HydrophobicContact CZ2-CB 4.41Å; W154-H158 AromaticContact CZ2-CD2 3.6Å; W154-H158 AromaticContact CZ2-CG 3.83Å; W154-H158 AromaticContact CZ2-NE2 3.88Å; W154-H158 AromaticContact CZ3-CE1 3.81Å; W154-H158 PolarHBondContact O-N 3.36Å; H158-F245 AromaticContact CE1-CZ 3.96Å; H158-F245 AromaticContact NE2-CZ 3.93Å
159Y68.1Low83.7Confident163 Ų16338.4 Ų38.464%0.63921%0.206SC*.PPolyproline II helixtrans-75.6157.4175.3-70.3-84.9000111.2W60W60-Y159 HydrophobicContact CZ2-CD1 4.23Å
160P67.8Low83.8Confident66 Ų6635.1 Ų35.143%0.42919%0.192SC..SBendtrans-59148.2175.8-22.834.5000112.6W60W60-P160 HydrophobicContact CB-CG 4.25Å; W60-P160 HydrophobicContact CD2-CG 3.7Å; W60-P160 HydrophobicContact CE3-CG 4.18Å; W60-P160 HydrophobicContact CG-CG 3.72Å
161P65.8Low83.9Confident89 Ų8935.4 Ų35.458%0.57819%0.193SC*.SBendcis-75.7130.7-1.230-33.7000112.5T163 L299P161-T163 PolarHBondContact O-N 3.15Å; P161-L299 HydrophobicContact CB-CD1 3.76Å; P161-L299 HydrophobicContact CG-CD1 4.39Å
162E73.6Confident84Confident16 Ų1634 Ų348%0.07519%0.186CC..PPolyproline II helixtrans-72119.3178.3-170.7173.3173.300109.5F58 L59 W60 W154 S164F58-E162 WeakPolarHBondContact CA-OE2 3.4Å; F58-E162 HydrophobicContact CB-CB 4.17Å; F58-E162 HydrophobicContact CB-CG 4.23Å; F58-E162 VanDerWaalsContact CB-OE2 3.26Å; F58-E162 WeakPolarHBondContact CB-OE2 3.24Å; F58-E162 HydrophobicContact CD1-CB 3.97Å; F58-E162 HydrophobicContact CD1-CG 3.5Å; F58-E162 HydrophobicContact CD2-CB 4.41Å; F58-E162 HydrophobicContact CE1-CB 4.49Å; F58-E162 HydrophobicContact CE1-CG 4.04Å; F58-E162 VanDerWaalsContact CE2-O 3.25Å; F58-E162 WeakPolarHBondContact CE2-O 3.14Å; F58-E162 HydrophobicContact CG-CB 3.95Å; F58-E162 HydrophobicContact CG-CG 3.96Å; F58-E162 WeakPolarHBondContact CZ-O 3.41Å; L59-E162 PolarHBondContact N-OE2 3.11Å; W60-E162 PolarHBondContact N-OE2 3.45Å; W154-E162 PolarHBondContact NE1-OE1 3.41Å; E162-S164 WeakPolarHBondContact CG-O 3.44Å
163T69.6Low84.3Confident104 Ų10430.6 Ų30.664%0.63817%0.168SC*.  trans-101.4-10.1-17954.20000113.2P161P161-T163 PolarHBondContact O-N 3.15Å
164S76.4Confident84.6Confident6 Ų629.7 Ų29.74%0.04216%0.161CC..  trans-155.3159.9-175.8176.50000109.5W154 E162 V248W154-S164 VanDerWaalsContact CZ2-O 3.29Å; W154-S164 WeakPolarHBondContact CZ2-O 3.28Å; E162-S164 WeakPolarHBondContact CG-O 3.44Å; S164-V248 VanDerWaalsContact OG-CG1 3.27Å; S164-V248 WeakPolarHBondContact OG-CG1 3.44Å
165S84.6Confident85Confident1 Ų129.7 Ų29.71%0.00716%0.161CC..  trans-133.4128.3179.4-171.40000112.5M167 L168S165-M167 PolarHBondContact O-N 3.3Å; S165-M167 VanDerWaalsContact O-N 3.16Å; S165-M167 PolarHBondContact OG-N 3.32Å; S165-L168 VanDerWaalsContact O-CB 3.22Å; S165-L168 WeakPolarHBondContact O-CB 3.31Å; S165-L168 PolarHBondContact O-N 2.63Å
166I90.4Very high85.3Confident0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-57.7-28.3170.7-165.860000112.3L59 L150 W154 L168 M169 A170 F223 F241L59-I166 HydrophobicContact CD1-CG2 4.11Å; L150-I166 HydrophobicContact CD1-CD1 4.46Å; L150-I166 HydrophobicContact CD1-CG1 3.81Å; L150-I166 HydrophobicContact CD2-CG1 3.99Å; L150-I166 HydrophobicContact CG-CG1 3.89Å; L150-I166 HydrophobicContact CG-CG2 4.39Å; W154-I166 HydrophobicContact CB-CB 4.31Å; W154-I166 HydrophobicContact CB-CG2 3.67Å; W154-I166 HydrophobicContact CD2-CB 3.65Å; W154-I166 HydrophobicContact CD2-CG2 3.86Å; W154-I166 HydrophobicContact CE3-CB 3.54Å; W154-I166 HydrophobicContact CE3-CD1 4.33Å; W154-I166 HydrophobicContact CE3-CG1 4.21Å; W154-I166 HydrophobicContact CE3-CG2 4.18Å; W154-I166 HydrophobicContact CG-CB 4.02Å; W154-I166 HydrophobicContact CG-CG2 3.65Å; W154-I166 HydrophobicContact CZ3-CB 4.01Å; W154-I166 HydrophobicContact CZ3-CD1 4.3Å; I166-L168 PolarHBondContact O-N 3.29Å; I166-M169 HydrophobicContact CD1-CE 4.24Å; I166-M169 HydrophobicContact CD1-SD 3.79Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.17Å; I166-M169 VanDerWaalsContact O-N 3.14Å; I166-A170 PolarHBondContact O-N 3.45Å; I166-F223 HydrophobicContact CD1-CD2 4.21Å; I166-F241 HydrophobicContact CD1-CE2 4.34Å; I166-F241 HydrophobicContact CD1-CZ 4.21Å
167M95.2Very high85.9Confident17 Ų1727.2 Ų27.28%0.08414%0.144CC..Hα-helixtrans-70.8-19.3179-66.8-51.7-57.700112.3S56 L59 I147 K151 S165 A170 K171S56-M167 VanDerWaalsContact OG-CB 3.27Å; S56-M167 WeakPolarHBondContact OG-CB 3.45Å; L59-M167 HydrophobicContact CD1-CG 4.3Å; L59-M167 HydrophobicContact CD2-CG 3.96Å; L59-M167 HydrophobicContact CG-CG 4.34Å; I147-M167 HydrophobicContact CG2-CE 4.24Å; K151-M167 HydrophobicContact CG-CG 4.34Å; K151-M167 HydrophobicContact CG-SD 3.79Å; S165-M167 PolarHBondContact O-N 3.3Å; S165-M167 VanDerWaalsContact O-N 3.16Å; S165-M167 PolarHBondContact OG-N 3.32Å; M167-A170 HydrophobicContact CE-CB 3.83Å; M167-A170 PolarHBondContact O-N 3.41Å; M167-A170 HydrophobicContact SD-CB 4.2Å; M167-K171 WeakPolarHBondContact O-CB 3.16Å; M167-K171 WeakPolarHBondContact O-CG 3.23Å; M167-K171 PolarHBondContact O-N 2.88Å
168L94.1Very high86.9Confident0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-65.1-45169.5-155.667.7000110.5V54 S165 I166 A170 K171 M172 V248 L306V54-L168 HydrophobicContact CB-CD1 4.19Å; V54-L168 HydrophobicContact CG2-CD1 3.82Å; V54-L168 HydrophobicContact CG2-CG 3.98Å; S165-L168 VanDerWaalsContact O-CB 3.22Å; S165-L168 WeakPolarHBondContact O-CB 3.31Å; S165-L168 PolarHBondContact O-N 2.63Å; I166-L168 PolarHBondContact O-N 3.29Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 3Å; L168-K171 PolarHBondContact O-N 3.49Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 3.22Å; L168-V248 HydrophobicContact CB-CG1 4.27Å; L168-V248 HydrophobicContact CD2-CG1 3.64Å; L168-V248 HydrophobicContact CD2-CG2 4.2Å; L168-L306 HydrophobicContact CD2-CD1 4.3Å; L168-L306 HydrophobicContact CD2-CD2 4Å; L168-L306 HydrophobicContact CD2-CG 3.73Å; L168-L306 HydrophobicContact CG-CG 4.37Å
169M94.4Very high88Confident3 Ų328 Ų282%0.01515%0.148CC..Hα-helixtrans-62.6-40.6173.8-61.7173.351.500111.5I166 K171 M172 V173 F223 F241 L244 F245 V248I166-M169 HydrophobicContact CD1-CE 4.24Å; I166-M169 HydrophobicContact CD1-SD 3.79Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.17Å; I166-M169 VanDerWaalsContact O-N 3.14Å; M169-K171 VanDerWaalsContact C-N 3.33Å; M169-K171 PolarHBondContact O-N 2.83Å; M169-M172 WeakPolarHBondContact O-CB 3.35Å; M169-M172 PolarHBondContact O-N 3.4Å; M169-V173 PolarHBondContact O-N 2.91Å; M169-V173 VanDerWaalsContact O-N 3.08Å; M169-F223 HydrophobicContact CB-CE2 3.71Å; M169-F223 HydrophobicContact CB-CZ 3.98Å; M169-F223 HydrophobicContact CE-CE1 4.49Å; M169-F223 HydrophobicContact CE-CE2 4.22Å; M169-F223 HydrophobicContact CE-CZ 4.16Å; M169-F241 HydrophobicContact CE-CD2 3.56Å; M169-F241 HydrophobicContact CE-CE2 3.28Å; M169-F241 HydrophobicContact CE-CG 4.49Å; M169-F241 HydrophobicContact CE-CZ 4.03Å; M169-L244 HydrophobicContact CE-CB 3.62Å; M169-L244 HydrophobicContact CE-CD1 3.98Å; M169-L244 HydrophobicContact CE-CG 4.49Å; M169-L244 HydrophobicContact SD-CB 4.39Å; M169-F245 HydrophobicContact SD-CD2 4.23Å; M169-V248 HydrophobicContact CG-CG2 3.7Å
170A97.1Very high89.1Confident0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-60.3-42.7174.700000112.1L134 I166 M167 L168 V173 A174 L227L134-A170 HydrophobicContact CD2-CB 4.31Å; I166-A170 PolarHBondContact O-N 3.45Å; M167-A170 HydrophobicContact CE-CB 3.83Å; M167-A170 PolarHBondContact O-N 3.41Å; M167-A170 HydrophobicContact SD-CB 4.2Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 3Å; A170-V173 PolarHBondContact O-N 2.81Å; A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.2Å; A170-L227 HydrophobicContact CB-CD1 3.58Å
171K97.3Very high90.3Very high6 Ų632 Ų323%0.02617%0.167CC..Hα-helixtrans-65.4-40174.3-76.1-173.7179.8-161.90112.1V54 S55 E70 Y130 L134 M167 L168 M169 V173 A174 V175V54-K171 HydrophobicContact CB-CB 4.09Å; V54-K171 HydrophobicContact CG1-CB 3.97Å; S55-K171 WeakPolarHBondContact O-CD 3.4Å; S55-K171 VanDerWaalsContact O-CE 3.29Å; S55-K171 WeakPolarHBondContact O-CE 3.12Å; S55-K171 PolarHBondContact O-NZ 3.36Å; E70-K171 PolarHBondContact O-NZ 3.3Å; E70-K171 WeakPolarHBondContact OE1-CE 3.29Å; E70-K171 IonicContact OE1-NZ 2.9Å; E70-K171 PolarHBondContact OE1-NZ 2.87Å; Y130-K171 HydrophobicContact CD2-CD 4.43Å; Y130-K171 HydrophobicContact CD2-CG 4.21Å; Y130-K171 HydrophobicContact CE1-CD 4.41Å; Y130-K171 HydrophobicContact CE2-CD 4.19Å; Y130-K171 HydrophobicContact CE2-CG 4.42Å; Y130-K171 HydrophobicContact CG-CG 4.45Å; Y130-K171 PolarHBondContact OH-NZ 3.06Å; Y130-K171 VanDerWaalsContact OH-NZ 3.08Å; L134-K171 HydrophobicContact CD1-CB 4.49Å; L134-K171 HydrophobicContact CD1-CG 3.73Å; M167-K171 WeakPolarHBondContact O-CB 3.16Å; M167-K171 WeakPolarHBondContact O-CG 3.23Å; M167-K171 PolarHBondContact O-N 2.88Å; L168-K171 PolarHBondContact O-N 3.49Å; M169-K171 VanDerWaalsContact C-N 3.33Å; M169-K171 PolarHBondContact O-N 2.83Å; K171-V173 VanDerWaalsContact C-N 3.32Å; K171-V173 PolarHBondContact O-N 3.37Å; K171-A174 PolarHBondContact O-N 3.16Å; K171-V175 WeakPolarHBondContact O-CB 3.37Å; K171-V175 VanDerWaalsContact O-CG2 3.25Å; K171-V175 WeakPolarHBondContact O-CG2 3.27Å; K171-V175 PolarHBondContact O-N 3.24Å
172M96.9Very high91.7Very high0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-55.6-48.4174.3-65.2168.267.300111.3V54 L168 M169 V176 F189 W235 L244 L247 V248 L306V54-M172 HydrophobicContact CG2-CG 3.85Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 3.22Å; M169-M172 WeakPolarHBondContact O-CB 3.35Å; M169-M172 PolarHBondContact O-N 3.4Å; M172-V176 WeakPolarHBondContact O-CG2 3.49Å; M172-V176 PolarHBondContact O-N 3.04Å; M172-F189 HydrophobicContact CB-CE1 4.18Å; M172-F189 HydrophobicContact CB-CE2 4.12Å; M172-F189 HydrophobicContact CB-CZ 3.83Å; M172-F189 HydrophobicContact CE-CB 4.35Å; M172-F189 HydrophobicContact CE-CD1 3.67Å; M172-F189 HydrophobicContact CE-CE1 4.06Å; M172-F189 HydrophobicContact CE-CG 3.95Å; M172-F189 HydrophobicContact CG-CD1 4.22Å; M172-F189 HydrophobicContact CG-CE1 3.61Å; M172-F189 HydrophobicContact CG-CE2 4.45Å; M172-F189 HydrophobicContact CG-CZ 3.75Å; M172-F189 HydrophobicContact SD-CE1 4.5Å; M172-W235 HydrophobicContact CB-CH2 4.35Å; M172-W235 HydrophobicContact CB-CZ3 4.11Å; M172-W235 HydrophobicContact CE-CH2 4.3Å; M172-L244 HydrophobicContact CE-CD2 3.58Å; M172-L244 HydrophobicContact SD-CD2 4.46Å; M172-L247 HydrophobicContact CE-CD1 4.27Å; M172-L247 HydrophobicContact CE-CD2 4.02Å; M172-L247 HydrophobicContact SD-CD2 4.46Å; M172-V248 HydrophobicContact SD-CG2 3.98Å; M172-L306 HydrophobicContact CE-CD1 4.42Å; M172-L306 HydrophobicContact CG-CD1 4.29Å; M172-L306 HydrophobicContact SD-CD1 3.87Å
173V97.5Very high92.5Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-60.4-51176171.70000110.6M169 A170 K171 V175 V176 K177 F223 L227 L232 W235 F236M169-V173 PolarHBondContact O-N 2.91Å; M169-V173 VanDerWaalsContact O-N 3.08Å; A170-V173 PolarHBondContact O-N 2.81Å; K171-V173 VanDerWaalsContact C-N 3.32Å; K171-V173 PolarHBondContact O-N 3.37Å; V173-V175 VanDerWaalsContact C-N 3.33Å; V173-V175 PolarHBondContact O-N 2.79Å; V173-V176 PolarHBondContact O-N 3.05Å; V173-V176 VanDerWaalsContact O-N 3.16Å; V173-K177 HydrophobicContact CG1-CD 3.51Å; V173-K177 HydrophobicContact CG1-CG 3.99Å; V173-K177 VanDerWaalsContact O-CG 3.31Å; V173-K177 WeakPolarHBondContact O-CG 3.27Å; V173-K177 PolarHBondContact O-N 2.86Å; V173-F223 HydrophobicContact CG2-CE1 4.23Å; V173-F223 HydrophobicContact CG2-CZ 3.7Å; V173-L227 HydrophobicContact CG1-CB 4.12Å; V173-L232 HydrophobicContact CB-CD1 4.26Å; V173-L232 HydrophobicContact CG1-CD1 3.94Å; V173-L232 HydrophobicContact CG2-CD1 4.23Å; V173-W235 HydrophobicContact CG2-CE3 3.86Å; V173-W235 HydrophobicContact CG2-CZ3 4.08Å; V173-F236 HydrophobicContact CG1-CZ 4.13Å; V173-F236 HydrophobicContact CG2-CZ 3.96Å
174A97.8Very high93.6Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-61-39.3-176.100000113.5V133 L134 A170 K171 K177 Q178V133-A174 HydrophobicContact CB-CB 3.95Å; V133-A174 HydrophobicContact CG1-CB 3.9Å; L134-A174 HydrophobicContact CD1-CB 3.67Å; L134-A174 HydrophobicContact CD2-CB 4.03Å; L134-A174 HydrophobicContact CG-CB 3.52Å; A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.2Å; K171-A174 PolarHBondContact O-N 3.16Å; A174-K177 PolarHBondContact O-N 3.33Å; A174-Q178 WeakPolarHBondContact O-CB 3.4Å; A174-Q178 PolarHBondContact O-N 3.1Å
175V96.9Very high94.3Very high1 Ų132.6 Ų32.61%0.00616%0.163CC..Hα-helixtrans-58-50.7173.6169.30000110.9V54 Q129 Y130 K171 V173 K177 Q178 A179 W185V54-V175 HydrophobicContact CG1-CG2 3.68Å; Q129-V175 HydrophobicContact CG-CG2 3.99Å; Y130-V175 HydrophobicContact CD1-CG2 4.26Å; Y130-V175 HydrophobicContact CG-CG2 4.47Å; K171-V175 WeakPolarHBondContact O-CB 3.37Å; K171-V175 VanDerWaalsContact O-CG2 3.25Å; K171-V175 WeakPolarHBondContact O-CG2 3.27Å; K171-V175 PolarHBondContact O-N 3.24Å; V173-V175 VanDerWaalsContact C-N 3.33Å; V173-V175 PolarHBondContact O-N 2.79Å; V175-K177 PolarHBondContact O-N 3.01Å; V175-Q178 PolarHBondContact O-N 3.39Å; V175-A179 VanDerWaalsContact O-CB 3.29Å; V175-A179 WeakPolarHBondContact O-CB 3.46Å; V175-A179 PolarHBondContact O-N 3.24Å; V175-W185 HydrophobicContact CG1-CB 4.49Å; V175-W185 HydrophobicContact CG1-CD2 3.26Å; V175-W185 HydrophobicContact CG1-CE3 3.27Å; V175-W185 HydrophobicContact CG1-CG 3.85Å; V175-W185 HydrophobicContact CG1-CH2 3.83Å; V175-W185 HydrophobicContact CG1-CZ2 3.85Å; V175-W185 HydrophobicContact CG1-CZ3 3.56Å
176V96.6Very high94.7Very high1 Ų135.9 Ų35.91%0.00618%0.178CC..Hα-helixtrans-67.1-38.4-179.91780000111.4M172 V173 Q178 A179 K182 W185 Q186 F189 L232 W235M172-V176 WeakPolarHBondContact O-CG2 3.49Å; M172-V176 PolarHBondContact O-N 3.04Å; V173-V176 PolarHBondContact O-N 3.05Å; V173-V176 VanDerWaalsContact O-N 3.16Å; V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.08Å; V176-A179 PolarHBondContact O-N 2.9Å; V176-K182 HydrophobicContact CG1-CB 3.97Å; V176-K182 HydrophobicContact CG1-CD 4.47Å; V176-K182 HydrophobicContact CG1-CG 4.36Å; V176-K182 WeakPolarHBondContact O-CG 3.34Å; V176-W185 HydrophobicContact CG2-CB 3.83Å; V176-Q186 HydrophobicContact CG1-CG 4.08Å; V176-Q186 HydrophobicContact CG2-CG 4.38Å; V176-F189 HydrophobicContact CG2-CD2 4.19Å; V176-F189 HydrophobicContact CG2-CE2 3.92Å; V176-L232 HydrophobicContact CB-CD1 4.02Å; V176-L232 HydrophobicContact CB-CD2 4.4Å; V176-L232 HydrophobicContact CG1-CD1 4.09Å; V176-L232 HydrophobicContact CG1-CD2 3.91Å; V176-L232 HydrophobicContact CG1-CG 4.11Å; V176-L232 HydrophobicContact CG2-CD2 4.5Å; V176-W235 HydrophobicContact CG2-CH2 4.21Å
177K95.9Very high94.7Very high61 Ų6141.2 Ų41.227%0.26520%0.201SC..Hα-helixtrans-62.4-40178.6-71.9-176.577.8155.70112V133 V173 A174 V175 L227 Y228 D229V133-K177 HydrophobicContact CG1-CB 4.32Å; V133-K177 HydrophobicContact CG1-CD 4.13Å; V133-K177 HydrophobicContact CG2-CB 4.07Å; V173-K177 HydrophobicContact CG1-CD 3.51Å; V173-K177 HydrophobicContact CG1-CG 3.99Å; V173-K177 VanDerWaalsContact O-CG 3.31Å; V173-K177 WeakPolarHBondContact O-CG 3.27Å; V173-K177 PolarHBondContact O-N 2.86Å; A174-K177 PolarHBondContact O-N 3.33Å; V175-K177 PolarHBondContact O-N 3.01Å; K177-L227 PolarHBondContact NZ-O 3.14Å; K177-L227 VanDerWaalsContact NZ-O 3.08Å; K177-Y228 PolarHBondContact NZ-O 3.02Å; K177-D229 HydrophobicContact CD-CB 3.86Å; K177-D229 VanDerWaalsContact CE-OD2 3.24Å; K177-D229 WeakPolarHBondContact CE-OD2 3.23Å; K177-D229 HydrophobicContact CG-CB 3.97Å; K177-D229 WeakPolarHBondContact CG-OD2 3.29Å
178Q96.4Very high94.5Very high36 Ų3640.5 Ų40.517%0.16820%0.198CC..Hα-helixtrans-84.9-22.3-178.5-176.1160.2-137.700113.6A127 Q129 Y130 R132 V133 A174 V175 V176A127-Q178 PolarHBondContact O-NE2 3.33Å; A127-Q178 VanDerWaalsContact O-NE2 3.11Å; A127-Q178 PolarHBondContact O-OE1 2.94Å; Q129-Q178 PolarHBondContact O-NE2 2.9Å; Q129-Q178 VanDerWaalsContact O-NE2 3.16Å; Y130-Q178 VanDerWaalsContact C-NE2 3.31Å; R132-Q178 VanDerWaalsContact CB-OE1 3.23Å; V133-Q178 HydrophobicContact CG2-CB 4.01Å; A174-Q178 WeakPolarHBondContact O-CB 3.4Å; A174-Q178 PolarHBondContact O-N 3.1Å; V175-Q178 PolarHBondContact O-N 3.39Å; V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.08Å
179A95.1Very high94.5Very high17 Ų1740.7 Ų40.714%0.1420%0.198CC..  trans-61.6140.9-178.500000113.1V175 V176 W185V175-A179 VanDerWaalsContact O-CB 3.29Å; V175-A179 WeakPolarHBondContact O-CB 3.46Å; V175-A179 PolarHBondContact O-N 3.24Å; V176-A179 PolarHBondContact O-N 2.9Å; A179-W185 HydrophobicContact CB-CG 4.23Å
180K92.6Very high94.2Very high221 Ų22144.7 Ų44.796%0.96123%0.226SC*.SBendtrans-69-43.4168.6-63.7-176.5-174.9177.90111.3
181D92.9Very high93.8Very high94 Ų9446.7 Ų46.750%0.50324%0.236SC..  trans-104.287.9174.2-172.3-14.2000109.7A183 H184D181-A183 VanDerWaalsContact C-N 3.27Å; D181-A183 PolarHBondContact O-N 2.93Å; D181-A183 PolarHBondContact OD1-N 2.93Å; D181-A183 VanDerWaalsContact OD1-N 3.17Å; D181-H184 HydrophobicContact CB-CB 4.14Å; D181-H184 PolarHBondContact OD1-N 2.78Å
182K93.6Very high93.3Very high53 Ų5346.8 Ų46.823%0.2324%0.236CC..Hα-helixtrans-64.2-34179.3-57.3-167.3176.9179.80112.2V176 W185 Q186 H231V176-K182 HydrophobicContact CG1-CB 3.97Å; V176-K182 HydrophobicContact CG1-CD 4.47Å; V176-K182 HydrophobicContact CG1-CG 4.36Å; V176-K182 WeakPolarHBondContact O-CG 3.34Å; K182-W185 PolarHBondContact O-N 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.44Å; K182-Q186 PolarHBondContact O-N 3.01Å; K182-Q186 VanDerWaalsContact O-N 3.07Å; K182-H231 HydrophobicContact CD-CB 4.31Å; K182-H231 PolarHBondContact NZ-CE1 3.49Å; K182-H231 VanDerWaalsContact NZ-CE1 3.29Å; K182-H231 PolarHBondContact NZ-ND1 3.23Å; K182-H231 VanDerWaalsContact NZ-ND1 3.17Å
183A91.7Very high92.4Very high65 Ų6549.6 Ų49.654%0.53726%0.255SS..Hα-helixtrans-68.5-38.5-175.300000111.4D181 Q186 K187D181-A183 VanDerWaalsContact C-N 3.27Å; D181-A183 PolarHBondContact O-N 2.93Å; D181-A183 PolarHBondContact OD1-N 2.93Å; D181-A183 VanDerWaalsContact OD1-N 3.17Å; A183-Q186 PolarHBondContact O-N 2.78Å; A183-K187 WeakPolarHBondContact O-CB 3.46Å; A183-K187 PolarHBondContact O-N 2.94Å
184H91.6Very high91.1Very high63 Ų6352.3 Ų52.329%0.29227%0.274SS..Hα-helixtrans-57.6-50173.316376.7000112.3D7 D181 Q186 K187 L188D7-H184 VanDerWaalsContact CG-CE1 3.46Å; D7-H184 IonicContact OD1-CE1 3.64Å; D7-H184 PolarHBondContact OD1-CE1 2.72Å; D7-H184 IonicContact OD1-ND1 2.7Å; D7-H184 PolarHBondContact OD1-ND1 2.89Å; D7-H184 IonicContact OD2-CE1 3.4Å; D7-H184 PolarHBondContact OD2-CE1 3.36Å; D7-H184 IonicContact OD2-ND1 2.86Å; D7-H184 PolarHBondContact OD2-ND1 3.06Å; D181-H184 HydrophobicContact CB-CB 4.14Å; D181-H184 PolarHBondContact OD1-N 2.78Å; H184-Q186 PolarHBondContact O-N 3.31Å; H184-K187 WeakPolarHBondContact O-CB 3.44Å; H184-K187 PolarHBondContact O-N 3.08Å; H184-L188 PolarHBondContact O-N 2.91Å
185W92.2Very high89.6Confident46 Ų4657.7 Ų57.717%0.17429%0.294CS..Hα-helixtrans-66.1-39.8179-72.596.8000113.1L53 Q129 V175 V176 A179 K182 K187 L188 F189L53-W185 HydrophobicContact CD2-CE3 4.1Å; L53-W185 HydrophobicContact CD2-CZ3 4.14Å; L53-W185 HydrophobicContact CG-CZ3 4.25Å; Q129-W185 HydrophobicContact CG-CH2 4.43Å; V175-W185 HydrophobicContact CG1-CB 4.49Å; V175-W185 HydrophobicContact CG1-CD2 3.26Å; V175-W185 HydrophobicContact CG1-CE3 3.27Å; V175-W185 HydrophobicContact CG1-CG 3.85Å; V175-W185 HydrophobicContact CG1-CH2 3.83Å; V175-W185 HydrophobicContact CG1-CZ2 3.85Å; V175-W185 HydrophobicContact CG1-CZ3 3.56Å; V176-W185 HydrophobicContact CG2-CB 3.83Å; A179-W185 HydrophobicContact CB-CG 4.23Å; K182-W185 PolarHBondContact O-N 3.3Å; W185-K187 VanDerWaalsContact C-N 3.29Å; W185-K187 PolarHBondContact O-N 3.06Å; W185-L188 HydrophobicContact CE3-CD1 4.23Å; W185-L188 PolarHBondContact O-N 2.92Å; W185-F189 WeakPolarHBondContact O-CD2 3.4Å; W185-F189 PolarHBondContact O-N 3.2Å
186Q91.4Very high87.5Confident69 Ų6959.3 Ų59.332%0.32231%0.307SS..Hα-helixtrans-60.5-40.8173.3-71.1178.210.200111.5V176 K182 A183 H184 F189 S190 H231 L232V176-Q186 HydrophobicContact CG1-CG 4.08Å; V176-Q186 HydrophobicContact CG2-CG 4.38Å; K182-Q186 WeakPolarHBondContact O-CG 3.44Å; K182-Q186 PolarHBondContact O-N 3.01Å; K182-Q186 VanDerWaalsContact O-N 3.07Å; A183-Q186 PolarHBondContact O-N 2.78Å; H184-Q186 PolarHBondContact O-N 3.31Å; Q186-F189 PolarHBondContact O-N 3.35Å; Q186-S190 PolarHBondContact O-N 3.45Å; Q186-H231 PolarHBondContact NE2-O 3.13Å; Q186-L232 HydrophobicContact CG-CD2 4.11Å
187K91Very high85.5Confident113 Ų11361.1 Ų61.149%0.49132%0.322SS..Hα-helixtrans-62-45.5174.6-174.2-170.5174.4-165.50110.7A183 H184 W185 F189 S190 H191A183-K187 WeakPolarHBondContact O-CB 3.46Å; A183-K187 PolarHBondContact O-N 2.94Å; H184-K187 WeakPolarHBondContact O-CB 3.44Å; H184-K187 PolarHBondContact O-N 3.08Å; W185-K187 VanDerWaalsContact C-N 3.29Å; W185-K187 PolarHBondContact O-N 3.06Å; K187-F189 PolarHBondContact O-N 2.94Å; K187-S190 WeakPolarHBondContact O-CB 3.44Å; K187-S190 PolarHBondContact O-N 3.22Å; K187-S190 VanDerWaalsContact O-N 3.16Å; K187-S190 PolarHBondContact O-OG 3.24Å; K187-H191 PolarHBondContact O-CE1 3.01Å; K187-H191 VanDerWaalsContact O-CE1 3.26Å; K187-H191 PolarHBondContact O-ND1 3.28Å
188L92.2Very high83.5Confident2 Ų258.9 Ų58.91%0.0131%0.313CS..Hα-helixtrans-58.4-49.5176.8-71.8179.1000112.1D7 L53 H184 W185 S190 H191 L308D7-L188 HydrophobicContact CB-CD2 3.86Å; D7-L188 VanDerWaalsContact OD1-CD2 3.24Å; D7-L188 WeakPolarHBondContact OD1-CD2 3.33Å; D7-L188 WeakPolarHBondContact OD2-CD2 3.31Å; L53-L188 HydrophobicContact CD2-CB 3.65Å; L53-L188 HydrophobicContact CD2-CD1 4.16Å; H184-L188 PolarHBondContact O-N 2.91Å; W185-L188 HydrophobicContact CE3-CD1 4.23Å; W185-L188 PolarHBondContact O-N 2.92Å; L188-S190 PolarHBondContact O-N 3.4Å; L188-H191 WeakPolarHBondContact O-CB 3.4Å; L188-H191 PolarHBondContact O-N 2.93Å; L188-H191 VanDerWaalsContact O-N 3.07Å; L188-H191 PolarHBondContact O-ND1 2.88Å; L188-H191 VanDerWaalsContact O-ND1 3.11Å; L188-L308 HydrophobicContact CD2-CD1 3.72Å
189F92.4Very high81.4Confident4 Ų465.8 Ų65.82%0.01835%0.346CS..Hα-helixtrans-61.7-27.8177.4-69.5-55.4000113.6L53 V54 M172 V176 W185 Q186 K187 H191 F192 W235 L306L53-F189 HydrophobicContact CB-CE1 4.04Å; L53-F189 HydrophobicContact CD2-CD1 3.79Å; L53-F189 HydrophobicContact CD2-CE1 3.52Å; L53-F189 HydrophobicContact CD2-CG 4.4Å; L53-F189 HydrophobicContact CD2-CZ 3.93Å; L53-F189 HydrophobicContact CG-CE1 4.41Å; V54-F189 HydrophobicContact CG1-CZ 4.19Å; V54-F189 HydrophobicContact CG2-CE1 4.25Å; M172-F189 HydrophobicContact CB-CE1 4.18Å; M172-F189 HydrophobicContact CB-CE2 4.12Å; M172-F189 HydrophobicContact CB-CZ 3.83Å; M172-F189 HydrophobicContact CE-CB 4.35Å; M172-F189 HydrophobicContact CE-CD1 3.67Å; M172-F189 HydrophobicContact CE-CE1 4.06Å; M172-F189 HydrophobicContact CE-CG 3.95Å; M172-F189 HydrophobicContact CG-CD1 4.22Å; M172-F189 HydrophobicContact CG-CE1 3.61Å; M172-F189 HydrophobicContact CG-CE2 4.45Å; M172-F189 HydrophobicContact CG-CZ 3.75Å; M172-F189 HydrophobicContact SD-CE1 4.5Å; V176-F189 HydrophobicContact CG2-CD2 4.19Å; V176-F189 HydrophobicContact CG2-CE2 3.92Å; W185-F189 WeakPolarHBondContact O-CD2 3.4Å; W185-F189 PolarHBondContact O-N 3.2Å; Q186-F189 PolarHBondContact O-N 3.35Å; K187-F189 PolarHBondContact O-N 2.94Å; F189-H191 PolarHBondContact O-N 2.93Å; F189-F192 HydrophobicContact CD1-CD2 4.38Å; F189-F192 HydrophobicContact CD1-CE2 4.18Å; F189-F192 WeakPolarHBondContact O-CD2 3.44Å; F189-F192 PolarHBondContact O-N 3.04Å; F189-W235 HydrophobicContact CB-CZ2 4.4Å; F189-W235 AromaticContact CD2-CH2 3.79Å; F189-W235 HydrophobicContact CD2-CH2 3.79Å; F189-W235 HydrophobicContact CD2-CZ2 4.36Å; F189-W235 HydrophobicContact CE2-CH2 4.32Å; F189-W235 HydrophobicContact CG-CH2 4.36Å; F189-L306 HydrophobicContact CE1-CD1 4.37Å
190S89Confident79.1Confident86 Ų8670.8 Ų70.860%0.60137%0.366SS*.THydrogen-bonded Turntrans-69.2-9176.777.10000114.6Q186 K187 L188Q186-S190 PolarHBondContact O-N 3.45Å; K187-S190 WeakPolarHBondContact O-CB 3.44Å; K187-S190 PolarHBondContact O-N 3.22Å; K187-S190 VanDerWaalsContact O-N 3.16Å; K187-S190 PolarHBondContact O-OG 3.24Å; L188-S190 PolarHBondContact O-N 3.4Å
191H87.9Confident76.9Confident42 Ų4264.9 Ų64.919%0.19434%0.342CS..THydrogen-bonded Turntrans-77.2-23.9177.3-67.885.1000113.4M8 K33 K187 L188 F189 L308M8-H191 HydrophobicContact CE-CB 4.47Å; M8-H191 PolarHBondContact SD-CD2 2.89Å; K33-H191 PolarHBondContact NZ-O 2.8Å; K33-H191 VanDerWaalsContact NZ-O 3.11Å; K187-H191 PolarHBondContact O-CE1 3.01Å; K187-H191 VanDerWaalsContact O-CE1 3.26Å; K187-H191 PolarHBondContact O-ND1 3.28Å; L188-H191 WeakPolarHBondContact O-CB 3.4Å; L188-H191 PolarHBondContact O-N 2.93Å; L188-H191 VanDerWaalsContact O-N 3.07Å; L188-H191 PolarHBondContact O-ND1 2.88Å; L188-H191 VanDerWaalsContact O-ND1 3.11Å; F189-H191 PolarHBondContact O-N 2.93Å; H191-L308 HydrophobicContact CB-CD2 4.01Å
192F87.6Confident74.7Confident9 Ų969.2 Ų69.24%0.03936%0.359CS..SBendtrans-74151.8-179.6-66.2-71.1000111.9L53 F189 S194 L247 N251 L306 Y307 L308 S311L53-F192 HydrophobicContact CD1-CE2 4.19Å; L53-F192 HydrophobicContact CD1-CZ 4.07Å; L53-F192 HydrophobicContact CD2-CE2 4.49Å; F189-F192 HydrophobicContact CD1-CD2 4.38Å; F189-F192 HydrophobicContact CD1-CE2 4.18Å; F189-F192 WeakPolarHBondContact O-CD2 3.44Å; F189-F192 PolarHBondContact O-N 3.04Å; F192-S194 PolarHBondContact O-N 3.02Å; F192-L247 HydrophobicContact CB-CD1 3.86Å; F192-L247 HydrophobicContact CB-CD2 3.95Å; F192-L247 HydrophobicContact CB-CG 3.63Å; F192-L247 HydrophobicContact CD2-CD2 4.25Å; F192-L247 HydrophobicContact CG-CD2 4.17Å; F192-L247 HydrophobicContact CG-CG 4.39Å; F192-N251 HydrophobicContact CB-CB 4.48Å; F192-N251 HydrophobicContact CD1-CB 3.69Å; F192-N251 HydrophobicContact CE1-CB 4.37Å; F192-N251 HydrophobicContact CG-CB 4.41Å; F192-L306 HydrophobicContact CE1-CB 4.08Å; F192-L306 HydrophobicContact CE2-CB 4.09Å; F192-L306 HydrophobicContact CE2-CD1 4.37Å; F192-L306 HydrophobicContact CZ-CB 3.62Å; F192-Y307 WeakPolarHBondContact CE1-O 2.99Å; F192-L308 HydrophobicContact CD2-CD2 4.38Å; F192-L308 HydrophobicContact CE1-CD2 4.24Å; F192-L308 HydrophobicContact CE2-CD2 3.65Å; F192-L308 HydrophobicContact CZ-CD2 3.56Å; F192-L308 HydrophobicContact CZ-CG 4.13Å; F192-S311 WeakPolarHBondContact CD1-OG 3.36Å; F192-S311 WeakPolarHBondContact CE1-OG 3.43Å
193C77.1Confident72.7Confident58 Ų5868 Ų6839%0.39236%0.355SS..  trans-68.2127.4174.1-173.80000109.6L247 T250 N251C193-L247 VanDerWaalsContact O-CA 3.28Å; C193-L247 WeakPolarHBondContact O-CA 3.25Å; C193-T250 PolarHBondContact O-OG1 3.36Å; C193-N251 PolarHBondContact N-ND2 3.26Å; C193-N251 PolarHBondContact N-OD1 3.44Å; C193-N251 VanDerWaalsContact N-OD1 3.09Å; C193-N251 PolarHBondContact O-ND2 2.99Å
194S71.7Confident70.7Confident57 Ų5768 Ų6840%0.39935%0.354SS..  trans-118.118.2176.170.70000112.5F192 A196F192-S194 PolarHBondContact O-N 3.02Å; S194-A196 PolarHBondContact O-N 3.49Å
195R65.1Low69.1Low114 Ų11465.5 Ų65.543%0.4334%0.343SS..  trans-73.4117.8-178.7-67.1-175.9-177.5172.7-0.5108.9N29 A197N29-R195 PolarHBondContact O-NH1 3.24Å; N29-R195 PolarHBondContact O-NH2 3.06Å; N29-R195 VanDerWaalsContact O-NH2 3.16Å; R195-A197 VanDerWaalsContact C-N 3.3Å
196A54.3Low67.4Low34 Ų3469 Ų6928%0.28136%0.359SS..SBendtrans-81.6-14.7175.600000112.9S194 H205 L208 A246S194-A196 PolarHBondContact O-N 3.49Å; A196-H205 PolarHBondContact O-N 3.22Å; A196-L208 HydrophobicContact CB-CD1 3.65Å; A196-A246 HydrophobicContact CB-CB 3.99Å
197A52.8Low65.5Low39 Ų3967 Ų6732%0.32235%0.351SS..EExtended strand (participates in β ladder)trans-146.7148.7177.500000109.8R195 I203R195-A197 VanDerWaalsContact C-N 3.3Å; A197-I203 CarbonylContact C-O 3.51Å; A197-I203 WeakPolarHBondContact CA-O 3.38Å
198N55.6Low63.7Low14 Ų1463.1 Ų63.18%0.07534%0.335CS..EExtended strand (participates in β ladder)trans-92.2100161.4-174.3-16.9000107.6E200 E201 E202 I203 L372N198-E200 PolarHBondContact O-N 3.22Å; N198-E200 PolarHBondContact OD1-N 3.14Å; N198-E201 HydrophobicContact CB-CB 4.34Å; N198-E201 PolarHBondContact O-N 2.8Å; N198-E201 PolarHBondContact OD1-N 2.76Å; N198-E202 WeakPolarHBondContact O-CA 3.32Å; N198-E202 PolarHBondContact O-N 3.13Å; N198-I203 PolarHBondContact N-O 3.17Å; N198-I203 PolarHBondContact O-N 2.86Å; N198-L372 HydrophobicContact CB-CB 3.96Å; N198-L372 WeakPolarHBondContact CB-O 3.46Å; N198-L372 PolarHBondContact ND2-O 3.2Å
199E52Low62Low181 Ų18164.5 Ų64.585%0.84635%0.35SS*.THydrogen-bonded Turntrans-67.5-23.7-176.6-64.5178.3179.900112.9
200E46.1Very low60Low123 Ų12371.3 Ų71.358%0.57538%0.382SS*.THydrogen-bonded Turntrans-79.3-27.2177.5-67.5-175.6-179.700112.4I30 N198I30-E200 WeakPolarHBondContact CG1-OE2 3.29Å; N198-E200 PolarHBondContact O-N 3.22Å; N198-E200 PolarHBondContact OD1-N 3.14Å
201E46.2Very low58.4Low97 Ų9775.5 Ų75.545%0.45339%0.392SS..THydrogen-bonded Turntrans-110.11.9180-65-76.9160.700113.1N198 I203N198-E201 HydrophobicContact CB-CB 4.34Å; N198-E201 PolarHBondContact O-N 2.8Å; N198-E201 PolarHBondContact OD1-N 2.76Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 HydrophobicContact CB-CD1 3.91Å; E201-I203 HydrophobicContact CB-CG1 3.8Å; E201-I203 WeakPolarHBondContact O-CG1 3.25Å; E201-I203 PolarHBondContact O-N 2.86Å
202E46.8Very low56.9Low185 Ų18575.8 Ų75.886%0.86439%0.393SS*.THydrogen-bonded Turntrans54.930.5-177.5-58.4-173.7157.400115.3N198N198-E202 WeakPolarHBondContact O-CA 3.32Å; N198-E202 PolarHBondContact O-N 3.13Å
203I51Low55.6Low28 Ų2882.5 Ų82.514%0.14442%0.418CS..EExtended strand (participates in β ladder)trans-101.3125.5-176.2-41.2-178000110.5A197 N198 E201 R368 L372A197-I203 CarbonylContact C-O 3.51Å; A197-I203 WeakPolarHBondContact CA-O 3.38Å; N198-I203 PolarHBondContact N-O 3.17Å; N198-I203 PolarHBondContact O-N 2.86Å; E201-I203 VanDerWaalsContact C-N 3.26Å; E201-I203 HydrophobicContact CB-CD1 3.91Å; E201-I203 HydrophobicContact CB-CG1 3.8Å; E201-I203 WeakPolarHBondContact O-CG1 3.25Å; E201-I203 PolarHBondContact O-N 2.86Å; I203-R368 HydrophobicContact CD1-CB 4.14Å; I203-R368 HydrophobicContact CD1-CG 3.89Å; I203-R368 VanDerWaalsContact CG2-O 3.29Å; I203-R368 WeakPolarHBondContact CG2-O 3.38Å; I203-L372 HydrophobicContact CB-CB 4.26Å; I203-L372 HydrophobicContact CB-CD2 3.99Å; I203-L372 HydrophobicContact CG2-CB 4.43Å; I203-L372 HydrophobicContact CG2-CD2 3.51Å
204A51Low55.1Low63 Ų6382.8 Ų82.852%0.52143%0.431SS..EExtended strand (participates in β ladder)trans-106.5145172.600000111K206 L372A204-K206 PolarHBondContact O-N 3.45Å; A204-L372 VanDerWaalsContact C-CD2 3.42Å
205H58.3Low55.4Low12 Ų1283.5 Ų83.56%0.05643%0.428CS..  trans-61.5135-178.4-164.6-72.9000111.6A196 L207 L208 N370 L372A196-H205 PolarHBondContact O-N 3.22Å; H205-L207 VanDerWaalsContact CE1-CD1 3.46Å; H205-L207 WeakPolarHBondContact CE1-CD1 3.4Å; H205-L207 WeakPolarHBondContact ND1-CB 3.44Å; H205-L207 PolarHBondContact ND1-N 3.31Å; H205-L207 PolarHBondContact O-N 3.09Å; H205-L208 HydrophobicContact CB-CD1 4.16Å; H205-L208 HydrophobicContact CB-CG 4.29Å; H205-L208 WeakPolarHBondContact O-CA 3.13Å; H205-L208 WeakPolarHBondContact O-CB 3.08Å; H205-L208 PolarHBondContact O-N 3.45Å; H205-N370 PolarHBondContact CD2-O 3.09Å; H205-N370 PolarHBondContact NE2-O 2.88Å; H205-L372 HydrophobicContact CB-CD1 4.46Å; H205-L372 HydrophobicContact CB-CD2 4.37Å
206K55.1Low56Low118 Ų11878.8 Ų78.851%0.51341%0.411SS..G310 helixtrans-51.6-41.3-178.3-170.7172.1-172.71630113.2A204 L208 G209 E369A204-K206 PolarHBondContact O-N 3.45Å; K206-L208 PolarHBondContact O-N 2.64Å; K206-G209 PolarHBondContact O-N 3.21Å; K206-E369 HydrophobicContact CD-CB 4.45Å; K206-E369 PolarHBondContact N-O 2.95Å; K206-E369 IonicContact NZ-OE2 3.12Å; K206-E369 PolarHBondContact NZ-OE2 3.27Å
207L52.4Low57.5Low28 Ų2879.2 Ų79.215%0.14742%0.419CS..G310 helixtrans-63.4-6174.2-58.2176.1000115.6H205 F245H205-L207 VanDerWaalsContact CE1-CD1 3.46Å; H205-L207 WeakPolarHBondContact CE1-CD1 3.4Å; H205-L207 WeakPolarHBondContact ND1-CB 3.44Å; H205-L207 PolarHBondContact ND1-N 3.31Å; H205-L207 PolarHBondContact O-N 3.09Å; L207-F245 HydrophobicContact CB-CE1 3.94Å; L207-F245 HydrophobicContact CD1-CE1 3.98Å
208L54.1Low59.3Low31 Ų3180.6 Ų80.616%0.16243%0.426CS..G310 helixtrans-110.39.5175.3-60176.1000112.7A196 H205 K206 L216A196-L208 HydrophobicContact CB-CD1 3.65Å; H205-L208 HydrophobicContact CB-CD1 4.16Å; H205-L208 HydrophobicContact CB-CG 4.29Å; H205-L208 WeakPolarHBondContact O-CA 3.13Å; H205-L208 WeakPolarHBondContact O-CB 3.08Å; H205-L208 PolarHBondContact O-N 3.45Å; K206-L208 PolarHBondContact O-N 2.64Å; L208-L216 HydrophobicContact CD2-CD1 3.78Å
209G55.7Low60.9Low31 Ų3180.2 Ų80.232%0.3242%0.424SS..SBendtrans-59.1163.717700000113.4K206 Q211 F212K206-G209 PolarHBondContact O-N 3.21Å; G209-Q211 PolarHBondContact O-N 3.43Å; G209-Q211 VanDerWaalsContact O-N 3.15Å; G209-F212 PolarHBondContact O-N 3.4Å
210E51.3Low62.8Low148 Ų14872.8 Ų72.869%0.69239%0.39SS*.G310 helixtrans-59.6-30.2-173.4-63.5-153.8131.300113.6F212 R213E210-F212 PolarHBondContact O-N 2.88Å; E210-R213 PolarHBondContact O-N 2.96Å; E210-R213 IonicContact OE1-CZ 2.82Å; E210-R213 IonicContact OE1-NH1 3.57Å; E210-R213 PolarHBondContact OE1-NH1 3.11Å; E210-R213 IonicContact OE1-NH2 3.9Å
211Q53.4Low65.1Low173 Ų17370.3 Ų70.381%0.80839%0.386SS*.G310 helixtrans-62.2-26.8175.5-66.3174.1-1400113.2G209G209-Q211 PolarHBondContact O-N 3.43Å; G209-Q211 VanDerWaalsContact O-N 3.15Å
212F57.5Low67.5Low49 Ų4967 Ų6722%0.21537%0.371CS..G310 helixtrans-98.4-7.1-176.9-63.8-80.2000113.9G209 E210 G214 Q215 L216G209-F212 PolarHBondContact O-N 3.4Å; E210-F212 PolarHBondContact O-N 2.88Å; F212-G214 PolarHBondContact O-N 3.23Å; F212-Q215 VanDerWaalsContact CD1-OE1 3.31Å; F212-Q215 PolarHBondContact O-N 2.96Å; F212-L216 WeakPolarHBondContact O-CG 3.4Å; F212-L216 PolarHBondContact O-N 3.48Å
213R60.8Low69.8Low150 Ų15058.2 Ų58.257%0.56633%0.33SS*.Hα-helixtrans-60.1-41.7-173.8-80.6-175.4177.5159.44.8113.6E210E210-R213 PolarHBondContact O-N 2.96Å; E210-R213 IonicContact OE1-CZ 2.82Å; E210-R213 IonicContact OE1-NH1 3.57Å; E210-R213 PolarHBondContact OE1-NH1 3.11Å; E210-R213 IonicContact OE1-NH2 3.9Å
214G65.9Low72Confident64 Ų6461.7 Ų61.766%0.6634%0.344SS*.Hα-helixtrans-69-39.9178.300000112.6F212 G217 S218F212-G214 PolarHBondContact O-N 3.23Å; G214-G217 PolarHBondContact O-N 2.95Å; G214-S218 PolarHBondContact O-N 2.83Å
215Q77.4Confident74.2Confident71 Ų7164.4 Ų64.433%0.33235%0.346SS..Hα-helixtrans-67.9-39.2179.1-67172.7-8.700112.1V157 F212 G217 S218 L219V157-Q215 HydrophobicContact CB-CG 4.46Å; V157-Q215 HydrophobicContact CG1-CB 3.95Å; V157-Q215 HydrophobicContact CG1-CG 3.67Å; F212-Q215 VanDerWaalsContact CD1-OE1 3.31Å; F212-Q215 PolarHBondContact O-N 2.96Å; Q215-G217 VanDerWaalsContact C-N 3.28Å; Q215-G217 PolarHBondContact O-N 3.43Å; Q215-S218 PolarHBondContact O-N 3.5Å; Q215-L219 WeakPolarHBondContact O-CG 3.46Å; Q215-L219 PolarHBondContact O-N 3.14Å
216L78.9Confident76Confident15 Ų1565.1 Ų65.18%0.07935%0.354CS..Hα-helixtrans-59.8-36.3175.7-77.7169.1000112.9L208 F212 H220 F241 F245L208-L216 HydrophobicContact CD2-CD1 3.78Å; F212-L216 WeakPolarHBondContact O-CG 3.4Å; F212-L216 PolarHBondContact O-N 3.48Å; L216-H220 WeakPolarHBondContact O-CB 3.35Å; L216-H220 PolarHBondContact O-N 3.41Å; L216-F241 HydrophobicContact CD2-CE1 4.29Å; L216-F245 HydrophobicContact CD2-CD2 4Å; L216-F245 HydrophobicContact CD2-CE2 3.83Å; L216-F245 HydrophobicContact CD2-CG 4.47Å; L216-F245 HydrophobicContact CD2-CZ 4.24Å
217G85.6Confident78Confident44 Ų4459.7 Ų59.745%0.45433%0.33SS..Hα-helixtrans-66.1-42.817600000112.6G214 Q215 H220 S221G214-G217 PolarHBondContact O-N 2.95Å; Q215-G217 VanDerWaalsContact C-N 3.28Å; Q215-G217 PolarHBondContact O-N 3.43Å; G217-H220 PolarHBondContact O-N 3.48Å; G217-S221 PolarHBondContact O-N 3.32Å
218S89.6Confident80Confident68 Ų6863.8 Ų63.848%0.47635%0.345SS..Hα-helixtrans-63.8-49.5175.4-174.20000111.6G214 Q215 H220 S221 L222G214-S218 PolarHBondContact O-N 2.83Å; Q215-S218 PolarHBondContact O-N 3.5Å; S218-H220 VanDerWaalsContact C-N 3.3Å; S218-H220 PolarHBondContact O-N 3.35Å; S218-S221 WeakPolarHBondContact O-CB 3.43Å; S218-S221 PolarHBondContact O-N 3.39Å; S218-S221 VanDerWaalsContact O-N 3.13Å; S218-L222 PolarHBondContact O-N 3.17Å
219L89.9Confident81.9Confident5 Ų563.4 Ų63.43%0.02634%0.343CS..Hα-helixtrans-58-41.7176.1-74.5173.8000112L150 A153 W154 V157 Q215 S221 L222 F223 F241L150-L219 HydrophobicContact CD1-CD2 4.28Å; A153-L219 HydrophobicContact CB-CD2 3.83Å; W154-L219 HydrophobicContact CE3-CD1 4.1Å; W154-L219 HydrophobicContact CE3-CD2 4.49Å; W154-L219 HydrophobicContact CZ3-CD1 4.37Å; V157-L219 HydrophobicContact CG2-CD1 3.92Å; Q215-L219 WeakPolarHBondContact O-CG 3.46Å; Q215-L219 PolarHBondContact O-N 3.14Å; L219-S221 PolarHBondContact O-N 3.1Å; L219-L222 PolarHBondContact O-N 3.23Å; L219-F223 WeakPolarHBondContact O-CB 3.44Å; L219-F223 PolarHBondContact O-N 2.82Å; L219-F241 HydrophobicContact CB-CE1 4.39Å; L219-F241 HydrophobicContact CB-CZ 4.17Å
220H92.3Very high83.6Confident26 Ų2669 Ų6912%0.1236%0.361CS..Hα-helixtrans-61.6-43.3176.5175.7-138.1000112L216 G217 S218 F223 K224 F236 F241L216-H220 WeakPolarHBondContact O-CB 3.35Å; L216-H220 PolarHBondContact O-N 3.41Å; G217-H220 PolarHBondContact O-N 3.48Å; S218-H220 VanDerWaalsContact C-N 3.3Å; S218-H220 PolarHBondContact O-N 3.35Å; H220-F223 PolarHBondContact O-N 3.46Å; H220-K224 WeakPolarHBondContact O-CB 3.42Å; H220-K224 PolarHBondContact O-N 2.95Å; H220-F236 PolarHBondContact CE1-O 2.93Å; H220-F236 VanDerWaalsContact NE2-C 3.32Å; H220-F236 PolarHBondContact NE2-O 2.95Å; H220-F241 HydrophobicContact CB-CD1 3.71Å; H220-F241 HydrophobicContact CB-CE1 3.94Å; H220-F241 HydrophobicContact CB-CG 4.04Å; H220-F241 HydrophobicContact CB-CZ 4.46Å; H220-F241 AromaticContact CD2-CD2 3.99Å; H220-F241 AromaticContact CD2-CG 3.69Å
221S94.6Very high85.5Confident71 Ų7167.4 Ų67.450%0.49735%0.353SS..Hα-helixtrans-61.5-48.9177-170.30000111.7G217 S218 L219 K224 E225G217-S221 PolarHBondContact O-N 3.32Å; S218-S221 WeakPolarHBondContact O-CB 3.43Å; S218-S221 PolarHBondContact O-N 3.39Å; S218-S221 VanDerWaalsContact O-N 3.13Å; L219-S221 PolarHBondContact O-N 3.1Å; S221-K224 PolarHBondContact O-N 2.59Å; S221-E225 WeakPolarHBondContact O-CB 3.27Å; S221-E225 PolarHBondContact O-N 3.07Å
222L95.8Very high87.3Confident28 Ų2859.5 Ų59.515%0.14732%0.316CS..Hα-helixtrans-63.4-42.2177.8-69.3172.2000111.9K149 L150 A153 S218 L219 K224 E225 A226K149-L222 HydrophobicContact CB-CD2 3.95Å; L150-L222 HydrophobicContact CB-CB 4.42Å; L150-L222 HydrophobicContact CD1-CB 3.98Å; A153-L222 HydrophobicContact CB-CD1 3.46Å; A153-L222 VanDerWaalsContact CB-CD1 3.46Å; S218-L222 PolarHBondContact O-N 3.17Å; L219-L222 PolarHBondContact O-N 3.23Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.03Å; L222-E225 PolarHBondContact O-N 3.27Å; L222-A226 VanDerWaalsContact O-CB 3.28Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.12Å
223F95.7Very high89Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-60.6-43.1176.7-175.3-98.6000111.3L150 I166 M169 V173 L219 H220 L227 F236 F241 L244L150-F223 HydrophobicContact CD1-CB 4.15Å; L150-F223 HydrophobicContact CD2-CD2 3.92Å; I166-F223 HydrophobicContact CD1-CD2 4.21Å; M169-F223 HydrophobicContact CB-CE2 3.71Å; M169-F223 HydrophobicContact CB-CZ 3.98Å; M169-F223 HydrophobicContact CE-CE1 4.49Å; M169-F223 HydrophobicContact CE-CE2 4.22Å; M169-F223 HydrophobicContact CE-CZ 4.16Å; V173-F223 HydrophobicContact CG2-CE1 4.23Å; V173-F223 HydrophobicContact CG2-CZ 3.7Å; L219-F223 WeakPolarHBondContact O-CB 3.44Å; L219-F223 PolarHBondContact O-N 2.82Å; H220-F223 PolarHBondContact O-N 3.46Å; F223-L227 HydrophobicContact CD2-CD1 3.72Å; F223-L227 HydrophobicContact CE2-CD1 3.45Å; F223-L227 VanDerWaalsContact CE2-CD1 3.45Å; F223-L227 HydrophobicContact CG-CD1 4.47Å; F223-L227 HydrophobicContact CZ-CD1 4.03Å; F223-L227 WeakPolarHBondContact O-CB 3.47Å; F223-L227 PolarHBondContact O-N 2.94Å; F223-F236 AromaticContact CD1-CD1 3.82Å; F223-F236 HydrophobicContact CD1-CD1 3.82Å; F223-F236 AromaticContact CD1-CE1 3.55Å; F223-F236 HydrophobicContact CD1-CE1 3.55Å; F223-F236 AromaticContact CE1-CD1 3.94Å; F223-F236 HydrophobicContact CE1-CD1 3.94Å; F223-F236 AromaticContact CE1-CE1 3.42Å; F223-F236 HydrophobicContact CE1-CE1 3.42Å; F223-F236 VanDerWaalsContact CE1-CE1 3.42Å; F223-F236 AromaticContact CE1-CZ 4Å; F223-F236 HydrophobicContact CE1-CZ 4Å; F223-F236 HydrophobicContact CZ-CE1 4.39Å; F223-F241 HydrophobicContact CB-CD2 4.37Å; F223-F241 HydrophobicContact CB-CE2 3.71Å; F223-F241 HydrophobicContact CB-CZ 4.43Å; F223-F241 AromaticContact CD1-CD2 3.75Å; F223-F241 HydrophobicContact CD1-CD2 3.75Å; F223-F241 AromaticContact CD1-CE2 3.75Å; F223-F241 HydrophobicContact CD1-CE2 3.75Å; F223-F241 HydrophobicContact CD2-CE2 4.1Å; F223-F241 HydrophobicContact CE1-CD2 4.25Å; F223-F241 HydrophobicContact CE1-CE2 4.39Å; F223-F241 HydrophobicContact CG-CD2 4.1Å; F223-F241 AromaticContact CG-CE2 3.59Å; F223-F241 HydrophobicContact CG-CE2 3.59Å; F223-L244 HydrophobicContact CE1-CD1 4.49Å
224K96.4Very high90.5Very high100 Ų10062.6 Ų62.644%0.43533%0.334SS..Hα-helixtrans-65.1-48.6176.1-176178.9178.2-1780111.7H220 S221 L222 A226 L227 Y228 F236H220-K224 WeakPolarHBondContact O-CB 3.42Å; H220-K224 PolarHBondContact O-N 2.95Å; S221-K224 PolarHBondContact O-N 2.59Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.03Å; K224-A226 VanDerWaalsContact C-N 3.27Å; K224-A226 PolarHBondContact O-N 3.08Å; K224-L227 PolarHBondContact O-N 2.88Å; K224-Y228 HydrophobicContact CG-CD2 4.07Å; K224-Y228 WeakPolarHBondContact O-CB 3.35Å; K224-Y228 PolarHBondContact O-N 3.39Å; K224-F236 HydrophobicContact CB-CD1 4.09Å; K224-F236 HydrophobicContact CG-CB 4.39Å; K224-F236 HydrophobicContact CG-CD1 4.22Å
225E96.6Very high91.8Very high121 Ų12161.7 Ų61.757%0.56531%0.311SS*.Hα-helixtrans-55.9-44.6177.4-175.7-179.1166.600111.6P146 S221 L222P146-E225 HydrophobicContact CB-CG 4.26Å; P146-E225 HydrophobicContact CG-CG 4.31Å; S221-E225 WeakPolarHBondContact O-CB 3.27Å; S221-E225 PolarHBondContact O-N 3.07Å; L222-E225 PolarHBondContact O-N 3.27Å
226A96.3Very high92.7Very high26 Ų2658.4 Ų58.422%0.21530%0.296CS..Hα-helixtrans-74.7-33.9-175.200000114.1P146 I147 L222 K224P146-A226 HydrophobicContact CB-CB 3.66Å; I147-A226 HydrophobicContact CD1-CB 3.72Å; I147-A226 HydrophobicContact CG1-CB 4.14Å; L222-A226 VanDerWaalsContact O-CB 3.28Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.12Å; K224-A226 VanDerWaalsContact C-N 3.27Å; K224-A226 PolarHBondContact O-N 3.08Å
227L96.9Very high93.3Very high5 Ų560.9 Ų60.93%0.02631%0.311CS..Hα-helixtrans-131.1-4-160.4-67.6164.8000115.8L134 I147 L150 A170 V173 K177 F223 K224 D229 F236L134-L227 HydrophobicContact CD2-CD2 3.69Å; I147-L227 HydrophobicContact CD1-CD1 4.24Å; I147-L227 HydrophobicContact CD1-CD2 3.74Å; I147-L227 HydrophobicContact CD1-CG 3.88Å; L150-L227 HydrophobicContact CD2-CD1 4.38Å; A170-L227 HydrophobicContact CB-CD1 3.58Å; V173-L227 HydrophobicContact CG1-CB 4.12Å; K177-L227 PolarHBondContact NZ-O 3.14Å; K177-L227 VanDerWaalsContact NZ-O 3.08Å; F223-L227 HydrophobicContact CD2-CD1 3.72Å; F223-L227 HydrophobicContact CE2-CD1 3.45Å; F223-L227 VanDerWaalsContact CE2-CD1 3.45Å; F223-L227 HydrophobicContact CG-CD1 4.47Å; F223-L227 HydrophobicContact CZ-CD1 4.03Å; F223-L227 WeakPolarHBondContact O-CB 3.47Å; F223-L227 PolarHBondContact O-N 2.94Å; K224-L227 PolarHBondContact O-N 2.88Å; L227-D229 PolarHBondContact O-N 3.06Å; L227-F236 VanDerWaalsContact C-CZ 3.49Å; L227-F236 HydrophobicContact CB-CE1 4.02Å; L227-F236 HydrophobicContact CB-CZ 4.04Å; L227-F236 VanDerWaalsContact O-CZ 3.31Å; L227-F236 WeakPolarHBondContact O-CZ 3.23Å
228Y96.3Very high93.4Very high113 Ų11361.5 Ų61.544%0.44331%0.307SS..  trans-44.2135.7-171.8-176.1-99.8000113.5K177 K224 F236K177-Y228 PolarHBondContact NZ-O 3.02Å; K224-Y228 HydrophobicContact CG-CD2 4.07Å; K224-Y228 WeakPolarHBondContact O-CB 3.35Å; K224-Y228 PolarHBondContact O-N 3.39Å; Y228-F236 HydrophobicContact CD2-CB 3.78Å; Y228-F236 HydrophobicContact CD2-CD1 4.26Å; Y228-F236 AromaticContact CD2-CD2 3.89Å; Y228-F236 HydrophobicContact CD2-CD2 3.89Å; Y228-F236 AromaticContact CD2-CG 3.71Å; Y228-F236 HydrophobicContact CD2-CG 3.71Å; Y228-F236 HydrophobicContact CE2-CB 4.05Å; Y228-F236 HydrophobicContact CE2-CD2 4.38Å; Y228-F236 HydrophobicContact CE2-CG 4.35Å
229D92.4Very high93.3Very high24 Ų2463.9 Ų63.913%0.12831%0.311CS..  trans-143.3132.5171.4-167.6-72000109.2K177 L227 H231 L232 S233K177-D229 HydrophobicContact CD-CB 3.86Å; K177-D229 VanDerWaalsContact CE-OD2 3.24Å; K177-D229 WeakPolarHBondContact CE-OD2 3.23Å; K177-D229 HydrophobicContact CG-CB 3.97Å; K177-D229 WeakPolarHBondContact CG-OD2 3.29Å; L227-D229 PolarHBondContact O-N 3.06Å; D229-H231 VanDerWaalsContact C-N 3.27Å; D229-H231 PolarHBondContact O-N 2.87Å; D229-H231 VanDerWaalsContact OD1-CB 3.24Å; D229-H231 WeakPolarHBondContact OD1-CB 3.4Å; D229-H231 IonicContact OD1-CG 3.34Å; D229-H231 PolarHBondContact OD1-N 3Å; D229-H231 IonicContact OD1-ND1 3.32Å; D229-H231 PolarHBondContact OD1-ND1 3.36Å; D229-L232 HydrophobicContact CB-CB 4.36Å; D229-L232 HydrophobicContact CB-CD1 4.5Å; D229-L232 CarbonylContact O-C 3.59Å; D229-L232 PolarHBondContact O-N 2.9Å; D229-S233 PolarHBondContact O-N 3.03Å; D229-S233 VanDerWaalsContact O-N 3.1Å
230E92.2Very high93.2Very high149 Ų14964.2 Ų64.270%0.69632%0.315SS*.G310 helixtrans-60.8-35.8-178-170.1179.8179.700112.4L232 S233E230-L232 PolarHBondContact O-N 2.95Å; E230-S233 VanDerWaalsContact O-CB 3.28Å; E230-S233 WeakPolarHBondContact O-CB 3.48Å; E230-S233 PolarHBondContact O-N 3.43Å; E230-S233 VanDerWaalsContact O-N 3.14Å; E230-S233 PolarHBondContact O-OG 3.03Å
231H90.5Very high93Very high114 Ų11463.1 Ų63.153%0.52831%0.31SS..G310 helixtrans-69.4-17.4178.4-53.878.4000112.6K182 Q186 D229K182-H231 HydrophobicContact CD-CB 4.31Å; K182-H231 PolarHBondContact NZ-CE1 3.49Å; K182-H231 VanDerWaalsContact NZ-CE1 3.29Å; K182-H231 PolarHBondContact NZ-ND1 3.23Å; K182-H231 VanDerWaalsContact NZ-ND1 3.17Å; Q186-H231 PolarHBondContact NE2-O 3.13Å; D229-H231 VanDerWaalsContact C-N 3.27Å; D229-H231 PolarHBondContact O-N 2.87Å; D229-H231 VanDerWaalsContact OD1-CB 3.24Å; D229-H231 WeakPolarHBondContact OD1-CB 3.4Å; D229-H231 IonicContact OD1-CG 3.34Å; D229-H231 PolarHBondContact OD1-N 3Å; D229-H231 IonicContact OD1-ND1 3.32Å; D229-H231 PolarHBondContact OD1-ND1 3.36Å
232L92.6Very high92.5Very high6 Ų665.5 Ų65.53%0.03131%0.308CS..G310 helixtrans-114.717.8177.5-68.2174.8000111.5V173 V176 Q186 D229 E230 R234 W235 F236V173-L232 HydrophobicContact CB-CD1 4.26Å; V173-L232 HydrophobicContact CG1-CD1 3.94Å; V173-L232 HydrophobicContact CG2-CD1 4.23Å; V176-L232 HydrophobicContact CB-CD1 4.02Å; V176-L232 HydrophobicContact CB-CD2 4.4Å; V176-L232 HydrophobicContact CG1-CD1 4.09Å; V176-L232 HydrophobicContact CG1-CD2 3.91Å; V176-L232 HydrophobicContact CG1-CG 4.11Å; V176-L232 HydrophobicContact CG2-CD2 4.5Å; Q186-L232 HydrophobicContact CG-CD2 4.11Å; D229-L232 HydrophobicContact CB-CB 4.36Å; D229-L232 HydrophobicContact CB-CD1 4.5Å; D229-L232 CarbonylContact O-C 3.59Å; D229-L232 PolarHBondContact O-N 2.9Å; E230-L232 PolarHBondContact O-N 2.95Å; L232-R234 PolarHBondContact O-N 2.99Å; L232-W235 HydrophobicContact CB-CD2 4.48Å; L232-W235 HydrophobicContact CB-CE3 4.3Å; L232-W235 HydrophobicContact CD1-CE3 3.81Å; L232-W235 HydrophobicContact CD1-CZ3 3.83Å; L232-W235 HydrophobicContact CD2-CD2 3.86Å; L232-W235 HydrophobicContact CD2-CE3 3.72Å; L232-W235 HydrophobicContact CD2-CH2 3.96Å; L232-W235 HydrophobicContact CD2-CZ2 4.1Å; L232-W235 HydrophobicContact CD2-CZ3 3.77Å; L232-W235 HydrophobicContact CG-CE3 4.17Å; L232-W235 HydrophobicContact CG-CZ3 4.39Å; L232-W235 WeakPolarHBondContact O-CB 3.46Å; L232-W235 PolarHBondContact O-N 3.17Å; L232-F236 HydrophobicContact CB-CD2 4.3Å; L232-F236 HydrophobicContact CB-CE2 3.86Å; L232-F236 VanDerWaalsContact O-CD2 3.29Å; L232-F236 WeakPolarHBondContact O-CD2 3.27Å
233S92.9Very high92Very high52 Ų5266.4 Ų66.436%0.36432%0.317SS..G310 helixtrans-47.1-35.6-176.447.90000113.9D229 E230 W235 F236D229-S233 PolarHBondContact O-N 3.03Å; D229-S233 VanDerWaalsContact O-N 3.1Å; E230-S233 VanDerWaalsContact O-CB 3.28Å; E230-S233 WeakPolarHBondContact O-CB 3.48Å; E230-S233 PolarHBondContact O-N 3.43Å; E230-S233 VanDerWaalsContact O-N 3.14Å; E230-S233 PolarHBondContact O-OG 3.03Å; S233-W235 VanDerWaalsContact C-N 3.27Å; S233-W235 PolarHBondContact O-N 2.86Å; S233-F236 PolarHBondContact O-N 3.09Å; S233-F236 VanDerWaalsContact O-N 3.08Å
234R92.2Very high91.6Very high213 Ų21366.6 Ų66.680%0.80432%0.318SS*.G310 helixtrans-60.5-28.8175.2-67.6-174.2-179.7-176.30.1114.2L232 F236 V237 G240L232-R234 PolarHBondContact O-N 2.99Å; R234-F236 VanDerWaalsContact C-N 3.33Å; R234-V237 WeakPolarHBondContact O-CG2 3.44Å; R234-G240 VanDerWaalsContact O-CA 3.27Å; R234-G240 WeakPolarHBondContact O-CA 3.49Å
235W93.4Very high91Very high44 Ų4462 Ų6217%0.16730%0.298CS..G310 helixtrans-78.8-18.9176.3-70-0.8000113M172 V173 V176 F189 L232 S233 F241 L244M172-W235 HydrophobicContact CB-CH2 4.35Å; M172-W235 HydrophobicContact CB-CZ3 4.11Å; M172-W235 HydrophobicContact CE-CH2 4.3Å; V173-W235 HydrophobicContact CG2-CE3 3.86Å; V173-W235 HydrophobicContact CG2-CZ3 4.08Å; V176-W235 HydrophobicContact CG2-CH2 4.21Å; F189-W235 HydrophobicContact CB-CZ2 4.4Å; F189-W235 AromaticContact CD2-CH2 3.79Å; F189-W235 HydrophobicContact CD2-CH2 3.79Å; F189-W235 HydrophobicContact CD2-CZ2 4.36Å; F189-W235 HydrophobicContact CE2-CH2 4.32Å; F189-W235 HydrophobicContact CG-CH2 4.36Å; L232-W235 HydrophobicContact CB-CD2 4.48Å; L232-W235 HydrophobicContact CB-CE3 4.3Å; L232-W235 HydrophobicContact CD1-CE3 3.81Å; L232-W235 HydrophobicContact CD1-CZ3 3.83Å; L232-W235 HydrophobicContact CD2-CD2 3.86Å; L232-W235 HydrophobicContact CD2-CE3 3.72Å; L232-W235 HydrophobicContact CD2-CH2 3.96Å; L232-W235 HydrophobicContact CD2-CZ2 4.1Å; L232-W235 HydrophobicContact CD2-CZ3 3.77Å; L232-W235 HydrophobicContact CG-CE3 4.17Å; L232-W235 HydrophobicContact CG-CZ3 4.39Å; L232-W235 WeakPolarHBondContact O-CB 3.46Å; L232-W235 PolarHBondContact O-N 3.17Å; S233-W235 VanDerWaalsContact C-N 3.27Å; S233-W235 PolarHBondContact O-N 2.86Å; W235-F241 PolarHBondContact O-N 3.09Å; W235-L244 HydrophobicContact CB-CD1 3.61Å; W235-L244 HydrophobicContact CB-CG 4.35Å; W235-L244 HydrophobicContact CD2-CD1 3.83Å; W235-L244 HydrophobicContact CD2-CD2 3.88Å; W235-L244 HydrophobicContact CD2-CG 4.24Å; W235-L244 HydrophobicContact CE3-CD1 3.97Å; W235-L244 HydrophobicContact CE3-CD2 4.26Å; W235-L244 HydrophobicContact CG-CD1 3.69Å; W235-L244 HydrophobicContact CG-CD2 4.18Å; W235-L244 HydrophobicContact CG-CG 4.06Å; W235-L244 HydrophobicContact CZ2-CD2 4.29Å
236F94.8Very high90.3Very high3 Ų356.4 Ų56.41%0.01327%0.273CS..SBendtrans-101.47-175.7-66.2-78.5000113.7V173 H220 F223 K224 L227 Y228 L232 S233 R234V173-F236 HydrophobicContact CG1-CZ 4.13Å; V173-F236 HydrophobicContact CG2-CZ 3.96Å; H220-F236 PolarHBondContact CE1-O 2.93Å; H220-F236 VanDerWaalsContact NE2-C 3.32Å; H220-F236 PolarHBondContact NE2-O 2.95Å; F223-F236 AromaticContact CD1-CD1 3.82Å; F223-F236 HydrophobicContact CD1-CD1 3.82Å; F223-F236 AromaticContact CD1-CE1 3.55Å; F223-F236 HydrophobicContact CD1-CE1 3.55Å; F223-F236 AromaticContact CE1-CD1 3.94Å; F223-F236 HydrophobicContact CE1-CD1 3.94Å; F223-F236 AromaticContact CE1-CE1 3.42Å; F223-F236 HydrophobicContact CE1-CE1 3.42Å; F223-F236 VanDerWaalsContact CE1-CE1 3.42Å; F223-F236 AromaticContact CE1-CZ 4Å; F223-F236 HydrophobicContact CE1-CZ 4Å; F223-F236 HydrophobicContact CZ-CE1 4.39Å; K224-F236 HydrophobicContact CB-CD1 4.09Å; K224-F236 HydrophobicContact CG-CB 4.39Å; K224-F236 HydrophobicContact CG-CD1 4.22Å; L227-F236 VanDerWaalsContact C-CZ 3.49Å; L227-F236 HydrophobicContact CB-CE1 4.02Å; L227-F236 HydrophobicContact CB-CZ 4.04Å; L227-F236 VanDerWaalsContact O-CZ 3.31Å; L227-F236 WeakPolarHBondContact O-CZ 3.23Å; Y228-F236 HydrophobicContact CD2-CB 3.78Å; Y228-F236 HydrophobicContact CD2-CD1 4.26Å; Y228-F236 AromaticContact CD2-CD2 3.89Å; Y228-F236 HydrophobicContact CD2-CD2 3.89Å; Y228-F236 AromaticContact CD2-CG 3.71Å; Y228-F236 HydrophobicContact CD2-CG 3.71Å; Y228-F236 HydrophobicContact CE2-CB 4.05Å; Y228-F236 HydrophobicContact CE2-CD2 4.38Å; Y228-F236 HydrophobicContact CE2-CG 4.35Å; L232-F236 HydrophobicContact CB-CD2 4.3Å; L232-F236 HydrophobicContact CB-CE2 3.86Å; L232-F236 VanDerWaalsContact O-CD2 3.29Å; L232-F236 WeakPolarHBondContact O-CD2 3.27Å; S233-F236 PolarHBondContact O-N 3.09Å; S233-F236 VanDerWaalsContact O-N 3.08Å; R234-F236 VanDerWaalsContact C-N 3.33Å
237V92.8Very high90Very high66 Ų6655.7 Ų55.740%0.427%0.265SS..SBendtrans-92.2155.3164-58.80000109.7R234 E239 G240 F241R234-V237 WeakPolarHBondContact O-CG2 3.44Å; V237-E239 VanDerWaalsContact C-N 3.3Å; V237-E239 PolarHBondContact O-N 2.74Å; V237-G240 PolarHBondContact O-N 2.7Å; V237-F241 PolarHBondContact O-N 3.34Å
238P88Confident89.5Confident58 Ų5855.6 Ų55.638%0.37727%0.265SS..Hα-helixtrans-53.5-42.6-173.5-2836.2000114.2F241 R242P238-F241 PolarHBondContact O-N 3Å; P238-R242 WeakPolarHBondContact O-CG 3.43Å; P238-R242 PolarHBondContact O-N 2.98Å
239E86Confident88.8Confident118 Ų11851.2 Ų51.255%0.55125%0.253SS*.Hα-helixtrans-67.1-38.7179.9-62.372.4-156.800111.8V237 S243V237-E239 VanDerWaalsContact C-N 3.3Å; V237-E239 PolarHBondContact O-N 2.74Å; E239-S243 PolarHBondContact O-N 2.93Å; E239-S243 PolarHBondContact O-OG 3.4Å
240G87.9Confident88.3Confident11 Ų1151.4 Ų51.411%0.11326%0.256CS..Hα-helixtrans-71.1-38.417700000113.1R234 V237 S243 L244R234-G240 VanDerWaalsContact O-CA 3.27Å; R234-G240 WeakPolarHBondContact O-CA 3.49Å; V237-G240 PolarHBondContact O-N 2.7Å; G240-S243 WeakPolarHBondContact O-CB 3.03Å; G240-S243 PolarHBondContact O-N 3.45Å; G240-L244 PolarHBondContact O-N 2.88Å
241F88.9Confident88.2Confident3 Ų345 Ų451%0.01323%0.226CC..Hα-helixtrans-62.7-44.4173.9-176.8-103000110.9I166 M169 L216 L219 H220 F223 W235 V237 P238 S243 L244 F245I166-F241 HydrophobicContact CD1-CE2 4.34Å; I166-F241 HydrophobicContact CD1-CZ 4.21Å; M169-F241 HydrophobicContact CE-CD2 3.56Å; M169-F241 HydrophobicContact CE-CE2 3.28Å; M169-F241 HydrophobicContact CE-CG 4.49Å; M169-F241 HydrophobicContact CE-CZ 4.03Å; L216-F241 HydrophobicContact CD2-CE1 4.29Å; L219-F241 HydrophobicContact CB-CE1 4.39Å; L219-F241 HydrophobicContact CB-CZ 4.17Å; H220-F241 HydrophobicContact CB-CD1 3.71Å; H220-F241 HydrophobicContact CB-CE1 3.94Å; H220-F241 HydrophobicContact CB-CG 4.04Å; H220-F241 HydrophobicContact CB-CZ 4.46Å; H220-F241 AromaticContact CD2-CD2 3.99Å; H220-F241 AromaticContact CD2-CG 3.69Å; F223-F241 HydrophobicContact CB-CD2 4.37Å; F223-F241 HydrophobicContact CB-CE2 3.71Å; F223-F241 HydrophobicContact CB-CZ 4.43Å; F223-F241 AromaticContact CD1-CD2 3.75Å; F223-F241 HydrophobicContact CD1-CD2 3.75Å; F223-F241 AromaticContact CD1-CE2 3.75Å; F223-F241 HydrophobicContact CD1-CE2 3.75Å; F223-F241 HydrophobicContact CD2-CE2 4.1Å; F223-F241 HydrophobicContact CE1-CD2 4.25Å; F223-F241 HydrophobicContact CE1-CE2 4.39Å; F223-F241 HydrophobicContact CG-CD2 4.1Å; F223-F241 AromaticContact CG-CE2 3.59Å; F223-F241 HydrophobicContact CG-CE2 3.59Å; W235-F241 PolarHBondContact O-N 3.09Å; V237-F241 PolarHBondContact O-N 3.34Å; P238-F241 PolarHBondContact O-N 3Å; F241-S243 VanDerWaalsContact C-N 3.3Å; F241-S243 PolarHBondContact O-N 3.31Å; F241-L244 PolarHBondContact O-N 3.04Å; F241-F245 HydrophobicContact CE1-CD2 4.25Å; F241-F245 HydrophobicContact CZ-CD2 4.38Å; F241-F245 WeakPolarHBondContact O-CB 3.34Å; F241-F245 PolarHBondContact O-N 2.87Å
242R84.6Confident88.2Confident121 Ų12141.1 Ų41.146%0.45722%0.216SC..Hα-helixtrans-58.8-40.7172.2-72.6174.2-177.1162.41.8112.3P238 F245 A246P238-R242 WeakPolarHBondContact O-CG 3.43Å; P238-R242 PolarHBondContact O-N 2.98Å; R242-F245 WeakPolarHBondContact O-CB 3.05Å; R242-F245 PolarHBondContact O-N 3.08Å; R242-A246 PolarHBondContact O-N 3.47Å
243S85.3Confident88.2Confident47 Ų4743 Ų4333%0.32923%0.225SC..Hα-helixtrans-65.3-39.8177.6-57.30000112.2E239 G240 F241 F245 L247E239-S243 PolarHBondContact O-N 2.93Å; E239-S243 PolarHBondContact O-OG 3.4Å; G240-S243 WeakPolarHBondContact O-CB 3.03Å; G240-S243 PolarHBondContact O-N 3.45Å; F241-S243 VanDerWaalsContact C-N 3.3Å; F241-S243 PolarHBondContact O-N 3.31Å; S243-F245 VanDerWaalsContact C-N 3.34Å; S243-L247 WeakPolarHBondContact O-CB 3.29Å; S243-L247 PolarHBondContact O-N 2.93Å
244L87Confident88.2Confident4 Ų441.7 Ų41.72%0.02122%0.22CC..Hα-helixtrans-64.9-39.8173-76.9-179.2000112.1M169 M172 F223 W235 G240 F241 L247 V248M169-L244 HydrophobicContact CE-CB 3.62Å; M169-L244 HydrophobicContact CE-CD1 3.98Å; M169-L244 HydrophobicContact CE-CG 4.49Å; M169-L244 HydrophobicContact SD-CB 4.39Å; M172-L244 HydrophobicContact CE-CD2 3.58Å; M172-L244 HydrophobicContact SD-CD2 4.46Å; F223-L244 HydrophobicContact CE1-CD1 4.49Å; W235-L244 HydrophobicContact CB-CD1 3.61Å; W235-L244 HydrophobicContact CB-CG 4.35Å; W235-L244 HydrophobicContact CD2-CD1 3.83Å; W235-L244 HydrophobicContact CD2-CD2 3.88Å; W235-L244 HydrophobicContact CD2-CG 4.24Å; W235-L244 HydrophobicContact CE3-CD1 3.97Å; W235-L244 HydrophobicContact CE3-CD2 4.26Å; W235-L244 HydrophobicContact CG-CD1 3.69Å; W235-L244 HydrophobicContact CG-CD2 4.18Å; W235-L244 HydrophobicContact CG-CG 4.06Å; W235-L244 HydrophobicContact CZ2-CD2 4.29Å; G240-L244 PolarHBondContact O-N 2.88Å; F241-L244 PolarHBondContact O-N 3.04Å; L244-L247 WeakPolarHBondContact O-CB 3.39Å; L244-L247 PolarHBondContact O-N 2.89Å; L244-V248 PolarHBondContact O-N 2.97Å
245F83.3Confident88.2Confident5 Ų531.5 Ų31.52%0.02218%0.181CC..Hα-helixtrans-61.9-47.9177.6-149.2-79.5000111.3W154 H158 M169 L207 L216 F241 R242 S243 L247 V248 G249W154-F245 HydrophobicContact CH2-CE1 4.43Å; W154-F245 AromaticContact CH2-CE2 3.93Å; W154-F245 HydrophobicContact CH2-CE2 3.93Å; W154-F245 AromaticContact CH2-CZ 3.56Å; W154-F245 HydrophobicContact CH2-CZ 3.56Å; W154-F245 AromaticContact CZ3-CE2 3.49Å; W154-F245 HydrophobicContact CZ3-CE2 3.49Å; W154-F245 VanDerWaalsContact CZ3-CE2 3.49Å; W154-F245 AromaticContact CZ3-CZ 3.49Å; W154-F245 HydrophobicContact CZ3-CZ 3.49Å; W154-F245 VanDerWaalsContact CZ3-CZ 3.49Å; H158-F245 AromaticContact CE1-CZ 3.96Å; H158-F245 AromaticContact NE2-CZ 3.93Å; M169-F245 HydrophobicContact SD-CD2 4.23Å; L207-F245 HydrophobicContact CB-CE1 3.94Å; L207-F245 HydrophobicContact CD1-CE1 3.98Å; L216-F245 HydrophobicContact CD2-CD2 4Å; L216-F245 HydrophobicContact CD2-CE2 3.83Å; L216-F245 HydrophobicContact CD2-CG 4.47Å; L216-F245 HydrophobicContact CD2-CZ 4.24Å; F241-F245 HydrophobicContact CE1-CD2 4.25Å; F241-F245 HydrophobicContact CZ-CD2 4.38Å; F241-F245 WeakPolarHBondContact O-CB 3.34Å; F241-F245 PolarHBondContact O-N 2.87Å; R242-F245 WeakPolarHBondContact O-CB 3.05Å; R242-F245 PolarHBondContact O-N 3.08Å; S243-F245 VanDerWaalsContact C-N 3.34Å; F245-L247 VanDerWaalsContact C-N 3.29Å; F245-L247 PolarHBondContact O-N 3.33Å; F245-V248 PolarHBondContact O-N 2.87Å; F245-G249 PolarHBondContact O-N 3.07Å
246A82.9Confident88Confident3 Ų330.6 Ų30.63%0.02519%0.185CC..Hα-helixtrans-60.8-39.2174.200000111.6A196 R242 G249 T250A196-A246 HydrophobicContact CB-CB 3.99Å; R242-A246 PolarHBondContact O-N 3.47Å; A246-G249 PolarHBondContact O-N 3.39Å; A246-T250 WeakPolarHBondContact O-CB 3.42Å; A246-T250 WeakPolarHBondContact O-CG2 3.17Å; A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 3.21Å
247L88.8Confident87.8Confident11 Ų1130.4 Ų30.46%0.05819%0.185CC..Hα-helixtrans-60.2-51.2176.1-174.6162.8000111.8M172 F192 C193 S243 L244 F245 N251 L306M172-L247 HydrophobicContact CE-CD1 4.27Å; M172-L247 HydrophobicContact CE-CD2 4.02Å; M172-L247 HydrophobicContact SD-CD2 4.46Å; F192-L247 HydrophobicContact CB-CD1 3.86Å; F192-L247 HydrophobicContact CB-CD2 3.95Å; F192-L247 HydrophobicContact CB-CG 3.63Å; F192-L247 HydrophobicContact CD2-CD2 4.25Å; F192-L247 HydrophobicContact CG-CD2 4.17Å; F192-L247 HydrophobicContact CG-CG 4.39Å; C193-L247 VanDerWaalsContact O-CA 3.28Å; C193-L247 WeakPolarHBondContact O-CA 3.25Å; S243-L247 WeakPolarHBondContact O-CB 3.29Å; S243-L247 PolarHBondContact O-N 2.93Å; L244-L247 WeakPolarHBondContact O-CB 3.39Å; L244-L247 PolarHBondContact O-N 2.89Å; F245-L247 VanDerWaalsContact C-N 3.29Å; F245-L247 PolarHBondContact O-N 3.33Å; L247-N251 WeakPolarHBondContact O-CB 3.04Å; L247-N251 PolarHBondContact O-N 2.94Å; L247-N251 VanDerWaalsContact O-N 3.14Å; L247-N251 PolarHBondContact O-ND2 2.82Å; L247-L306 HydrophobicContact CD2-CD1 3.73Å; L247-L306 HydrophobicContact CD2-CD2 4.23Å
248V87.2Confident87.7Confident3 Ų327.5 Ų27.52%0.01817%0.167CC..Hα-helixtrans-66.2-40.6179.1174.40000111.2S164 L168 M169 M172 L244 F245 G252S164-V248 VanDerWaalsContact OG-CG1 3.27Å; S164-V248 WeakPolarHBondContact OG-CG1 3.44Å; L168-V248 HydrophobicContact CB-CG1 4.27Å; L168-V248 HydrophobicContact CD2-CG1 3.64Å; L168-V248 HydrophobicContact CD2-CG2 4.2Å; M169-V248 HydrophobicContact CG-CG2 3.7Å; M172-V248 HydrophobicContact SD-CG2 3.98Å; L244-V248 PolarHBondContact O-N 2.97Å; F245-V248 PolarHBondContact O-N 2.87Å; V248-G252 VanDerWaalsContact O-CA 3.31Å; V248-G252 WeakPolarHBondContact O-CA 3.03Å; V248-G252 PolarHBondContact O-N 3.14Å
249G81.7Confident88Confident20 Ų2024.9 Ų24.921%0.20615%0.15CC..Hα-helixtrans-65.9-38.5-18000000114.1F245 A246F245-G249 PolarHBondContact O-N 3.07Å; A246-G249 PolarHBondContact O-N 3.39Å
250T81.9Confident88.3Confident29 Ų2919.3 Ų19.318%0.17812%0.124CC..Hα-helixtrans-90.7-17.5-174.956.90000114.5C193 A246C193-T250 PolarHBondContact O-OG1 3.36Å; A246-T250 WeakPolarHBondContact O-CB 3.42Å; A246-T250 WeakPolarHBondContact O-CG2 3.17Å; A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 3.21Å
251N89Confident88.5Confident15 Ų1520.1 Ų20.18%0.0813%0.128CC..Hα-helixtrans-121.4-4.5-177.1-50.1-102000113.1F192 C193 L247 Q253 L306F192-N251 HydrophobicContact CB-CB 4.48Å; F192-N251 HydrophobicContact CD1-CB 3.69Å; F192-N251 HydrophobicContact CE1-CB 4.37Å; F192-N251 HydrophobicContact CG-CB 4.41Å; C193-N251 PolarHBondContact N-ND2 3.26Å; C193-N251 PolarHBondContact N-OD1 3.44Å; C193-N251 VanDerWaalsContact N-OD1 3.09Å; C193-N251 PolarHBondContact O-ND2 2.99Å; L247-N251 WeakPolarHBondContact O-CB 3.04Å; L247-N251 PolarHBondContact O-N 2.94Å; L247-N251 VanDerWaalsContact O-N 3.14Å; L247-N251 PolarHBondContact O-ND2 2.82Å; N251-Q253 PolarHBondContact O-N 2.93Å; N251-L306 HydrophobicContact CB-CD2 4.17Å
252G90.9Very high88.7Confident31 Ų3121.5 Ų21.532%0.3213%0.134SC..EExtended strand (participates in β ladder)trans-65123179.200000110.9V248V248-G252 VanDerWaalsContact O-CA 3.31Å; V248-G252 WeakPolarHBondContact O-CA 3.03Å; V248-G252 PolarHBondContact O-N 3.14Å
253Q92.9Very high89.2Confident46 Ų4615.8 Ų15.822%0.21511%0.113CC..EExtended strand (participates in β ladder)trans-101.3122.7172.5174.157.956.200109.1N251 S304 G305 Y307 F325 L332N251-Q253 PolarHBondContact O-N 2.93Å; Q253-S304 CarbonylContact O-C 3.55Å; Q253-S304 VanDerWaalsContact O-CA 3.23Å; Q253-S304 WeakPolarHBondContact O-CA 3.2Å; Q253-G305 PolarHBondContact N-O 3.44Å; Q253-G305 PolarHBondContact O-N 2.92Å; Q253-Y307 HydrophobicContact CB-CD2 3.72Å; Q253-Y307 HydrophobicContact CB-CE2 3.86Å; Q253-Y307 HydrophobicContact CG-CD2 4.16Å; Q253-Y307 HydrophobicContact CG-CE2 4.04Å; Q253-F325 HydrophobicContact CG-CZ 4.01Å; Q253-L332 HydrophobicContact CG-CD1 3.8Å
254G92.2Very high89.6Confident24 Ų2414.2 Ų14.225%0.24710%0.102CC..EExtended strand (participates in β ladder)trans-59.7135170.600000111.1C301 G303 F325G254-C301 WeakPolarHBondContact CA-SG 3.45Å; G254-G303 CarbonylContact C-O 3.57Å; G254-G303 WeakPolarHBondContact CA-O 3.25Å; G254-F325 WeakPolarHBondContact O-CE2 3.45Å; G254-F325 WeakPolarHBondContact O-CZ 3.35Å
255I93.3Very high89.9Confident0 Ų019.8 Ų19.80%013%0.127CC..EExtended strand (participates in β ladder)trans-112.2111.8-178.2-61172000108L73 T257 E302 G303 Y307 F325 F330L73-I255 HydrophobicContact CB-CG2 4.44Å; L73-I255 HydrophobicContact CD1-CB 3.94Å; L73-I255 HydrophobicContact CD1-CD1 3.65Å; L73-I255 HydrophobicContact CD1-CG1 4.37Å; L73-I255 HydrophobicContact CD1-CG2 4Å; I255-T257 HydrophobicContact CG2-CG2 4.02Å; I255-E302 PolarHBondContact O-N 3.35Å; I255-G303 PolarHBondContact N-O 3.16Å; I255-Y307 HydrophobicContact CD1-CE2 4.24Å; I255-Y307 WeakPolarHBondContact CD1-OH 3.43Å; I255-Y307 HydrophobicContact CG1-CE2 4.29Å; I255-Y307 WeakPolarHBondContact CG1-OH 3.03Å; I255-F325 HydrophobicContact CB-CE1 4.39Å; I255-F325 HydrophobicContact CB-CZ 4.32Å; I255-F325 HydrophobicContact CG1-CE1 4.02Å; I255-F325 HydrophobicContact CG1-CZ 3.95Å; I255-F325 HydrophobicContact CG2-CD1 4.03Å; I255-F325 HydrophobicContact CG2-CE1 4.07Å; I255-F325 HydrophobicContact CG2-CG 4.36Å; I255-F325 HydrophobicContact CG2-CZ 4.43Å; I255-F330 HydrophobicContact CD1-CB 4.04Å
256G89.3Confident90.5Very high24 Ų2420.3 Ų20.325%0.24713%0.132CC..  trans-92.3110.6178.200000112.4N300 F325G256-N300 WeakPolarHBondContact CA-O 3.36Å; G256-F325 WeakPolarHBondContact O-CB 3.26Å
257T89.7Confident91.1Very high0 Ų020.1 Ų20.10%013%0.131CC..  trans-127.611417748.40000109.1Y66 L73 I255 E302 N328Y66-T257 PolarHBondContact OH-O 2.77Å; L73-T257 HydrophobicContact CB-CG2 4.38Å; L73-T257 WeakPolarHBondContact O-CB 3.31Å; L73-T257 PolarHBondContact O-OG1 3.37Å; I255-T257 HydrophobicContact CG2-CG2 4.02Å; T257-E302 WeakPolarHBondContact O-CG 3.49Å; T257-E302 WeakPolarHBondContact OG1-CB 3.27Å; T257-E302 VanDerWaalsContact OG1-CG 3.25Å; T257-E302 WeakPolarHBondContact OG1-CG 3.09Å; T257-N328 WeakPolarHBondContact CA-OD1 3.49Å; T257-N328 WeakPolarHBondContact CB-OD1 3.4Å
258S90.8Very high91.4Very high5 Ų523.9 Ų23.94%0.03515%0.151CC..  trans-141.9124175.3167.50000109.9N82 L260 S261 Q262 N328N82-S258 PolarHBondContact OD1-OG 3.15Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact OG-N 3.04Å; S258-S261 PolarHBondContact O-N 3.31Å; S258-S261 PolarHBondContact OG-N 3.06Å; S258-S261 VanDerWaalsContact OG-N 3.07Å; S258-Q262 PolarHBondContact O-N 2.98Å; S258-Q262 VanDerWaalsContact O-N 3.09Å; S258-N328 PolarHBondContact N-OD1 3.44Å
259S93.7Very high91.8Very high2 Ų227.6 Ų27.61%0.01418%0.182CC..Hα-helixtrans-66.9-31.2173.852.80000111.6E77 T78 A79 N82 W263E77-S259 VanDerWaalsContact O-CB 3.25Å; E77-S259 WeakPolarHBondContact O-CB 3.49Å; E77-S259 PolarHBondContact O-OG 3.09Å; T78-S259 PolarHBondContact O-OG 2.84Å; A79-S259 WeakPolarHBondContact CB-O 3.48Å; N82-S259 WeakPolarHBondContact CB-OG 2.9Å; S259-W263 WeakPolarHBondContact O-CB 3.29Å; S259-W263 PolarHBondContact O-N 3.14Å
260L93.5Very high92.4Very high1 Ų128.8 Ų28.81%0.00518%0.183CC..Hα-helixtrans-66.1-48.9172.4177.459.6000111.4N82 A83 L86 L94 S258 Q262 W263 V264 L287 I291N82-L260 HydrophobicContact CB-CB 4.48Å; N82-L260 WeakPolarHBondContact OD1-CB 3.28Å; A83-L260 HydrophobicContact CB-CD1 4.24Å; A83-L260 HydrophobicContact CB-CD2 4.32Å; L86-L260 HydrophobicContact CD1-CD2 4.31Å; L94-L260 HydrophobicContact CD1-CD1 4.13Å; S258-L260 VanDerWaalsContact C-N 3.27Å; S258-L260 PolarHBondContact OG-N 3.04Å; L260-Q262 VanDerWaalsContact C-N 3.3Å; L260-Q262 PolarHBondContact O-N 3.26Å; L260-W263 HydrophobicContact CD1-CE3 3.75Å; L260-W263 HydrophobicContact CD1-CZ3 4.16Å; L260-W263 WeakPolarHBondContact O-CA 3.22Å; L260-W263 WeakPolarHBondContact O-CB 3.01Å; L260-W263 PolarHBondContact O-N 3.11Å; L260-V264 HydrophobicContact CD1-CG2 4.36Å; L260-V264 WeakPolarHBondContact O-CG2 3.2Å; L260-V264 PolarHBondContact O-N 3.13Å; L260-L287 HydrophobicContact CD1-CD2 3.85Å; L260-L287 HydrophobicContact CD2-CD2 4.36Å; L260-I291 HydrophobicContact CD2-CD1 3.59Å
261S91.4Very high93.1Very high29 Ų2936.8 Ų36.820%0.20322%0.219CC..Hα-helixtrans-58.5-41.7177169.10000111.9S258 W263 V264 H265S258-S261 PolarHBondContact O-N 3.31Å; S258-S261 PolarHBondContact OG-N 3.06Å; S258-S261 VanDerWaalsContact OG-N 3.07Å; S261-W263 VanDerWaalsContact C-N 3.32Å; S261-W263 PolarHBondContact O-N 3.32Å; S261-V264 PolarHBondContact O-N 2.66Å; S261-H265 PolarHBondContact O-CD2 3.28Å; S261-H265 PolarHBondContact O-N 3.33Å
262Q92.7Very high93.4Very high31 Ų3138 Ų3815%0.14523%0.225CC..Hα-helixtrans-62.3-38.6173.8-78.4-158.6-43.100113.5S258 L260 A266 P326 N328S258-Q262 PolarHBondContact O-N 2.98Å; S258-Q262 VanDerWaalsContact O-N 3.09Å; L260-Q262 VanDerWaalsContact C-N 3.3Å; L260-Q262 PolarHBondContact O-N 3.26Å; Q262-A266 WeakPolarHBondContact O-CB 3.41Å; Q262-A266 PolarHBondContact O-N 2.8Å; Q262-P326 PolarHBondContact NE2-O 3.25Å; Q262-P326 VanDerWaalsContact NE2-O 3.14Å; Q262-N328 HydrophobicContact CG-CB 3.66Å; Q262-N328 PolarHBondContact OE1-ND2 3.43Å
263W95.8Very high93.7Very high1 Ų140.4 Ų40.40%0.00424%0.235CC..Hα-helixtrans-66.7-42.4176.5170.190000111.1A79 L94 P95 H96 S259 L260 S261 H265 A266 C267 L280 F283 I284A79-W263 HydrophobicContact CB-CB 3.56Å; A79-W263 HydrophobicContact CB-CG 3.94Å; L94-W263 HydrophobicContact CB-CZ2 4.08Å; L94-W263 HydrophobicContact CD1-CD2 4.08Å; L94-W263 HydrophobicContact CD1-CE3 4.26Å; L94-W263 HydrophobicContact CD1-CG 4.49Å; L94-W263 HydrophobicContact CD2-CH2 4.36Å; L94-W263 HydrophobicContact CD2-CZ3 4.5Å; P95-W263 HydrophobicContact CG-CH2 4.18Å; P95-W263 HydrophobicContact CG-CZ2 3.84Å; P95-W263 VanDerWaalsContact O-CE2 3.32Å; P95-W263 WeakPolarHBondContact O-CZ2 3.21Å; P95-W263 PolarHBondContact O-NE1 3.24Å; H96-W263 PolarHBondContact O-NE1 3.27Å; S259-W263 WeakPolarHBondContact O-CB 3.29Å; S259-W263 PolarHBondContact O-N 3.14Å; L260-W263 HydrophobicContact CD1-CE3 3.75Å; L260-W263 HydrophobicContact CD1-CZ3 4.16Å; L260-W263 WeakPolarHBondContact O-CA 3.22Å; L260-W263 WeakPolarHBondContact O-CB 3.01Å; L260-W263 PolarHBondContact O-N 3.11Å; S261-W263 VanDerWaalsContact C-N 3.32Å; S261-W263 PolarHBondContact O-N 3.32Å; W263-H265 PolarHBondContact O-N 3.12Å; W263-A266 WeakPolarHBondContact O-CB 3.25Å; W263-A266 PolarHBondContact O-N 2.77Å; W263-A266 VanDerWaalsContact O-N 3.13Å; W263-C267 WeakPolarHBondContact CZ2-SG 3.27Å; W263-C267 PolarHBondContact O-N 2.88Å; W263-C267 PolarHBondContact O-SG 2.98Å; W263-C267 VanDerWaalsContact O-SG 3.36Å; W263-L280 HydrophobicContact CH2-CD1 4.46Å; W263-F283 HydrophobicContact CH2-CD1 4.29Å; W263-F283 HydrophobicContact CH2-CE1 4.08Å; W263-I284 HydrophobicContact CH2-CD1 4.2Å; W263-I284 HydrophobicContact CH2-CG1 3.87Å; W263-I284 HydrophobicContact CZ3-CD1 4.16Å; W263-I284 HydrophobicContact CZ3-CG1 3.84Å
264V94.6Very high93.8Very high15 Ų1544.6 Ų44.69%0.09126%0.259CS..Hα-helixtrans-58.2-50.3174.5173.40000110.8L260 S261 A266 C267 D268 I284 Y288L260-V264 HydrophobicContact CD1-CG2 4.36Å; L260-V264 WeakPolarHBondContact O-CG2 3.2Å; L260-V264 PolarHBondContact O-N 3.13Å; S261-V264 PolarHBondContact O-N 2.66Å; V264-A266 PolarHBondContact O-N 3.33Å; V264-C267 WeakPolarHBondContact O-CA 3.36Å; V264-C267 VanDerWaalsContact O-CB 3.27Å; V264-C267 WeakPolarHBondContact O-CB 3.48Å; V264-C267 PolarHBondContact O-N 3.14Å; V264-D268 PolarHBondContact O-N 3.09Å; V264-I284 HydrophobicContact CG1-CD1 4.5Å; V264-I284 HydrophobicContact CG1-CG2 4.15Å; V264-I284 HydrophobicContact CG2-CG2 4.11Å; V264-Y288 HydrophobicContact CG2-CE2 3.98Å
265H92.9Very high94Very high120 Ų12050.2 Ų50.256%0.55628%0.279SS*.Hα-helixtrans-61.2-32.3176.7-70.4-43.7000113.5S261 W263 D268 A269S261-H265 PolarHBondContact O-CD2 3.28Å; S261-H265 PolarHBondContact O-N 3.33Å; W263-H265 PolarHBondContact O-N 3.12Å; H265-D268 IonicContact ND1-OD2 3.59Å; H265-A269 PolarHBondContact O-N 3.38Å
266A94.9Very high94.2Very high16 Ų1655 Ų5513%0.13230%0.301CS..Hα-helixtrans-71.6-35.6174.200000111.9L99 Q262 W263 V264 A269L99-A266 HydrophobicContact CB-CB 3.93Å; L99-A266 HydrophobicContact CD1-CB 4.08Å; L99-A266 HydrophobicContact CD2-CB 4.25Å; L99-A266 HydrophobicContact CG-CB 4.32Å; Q262-A266 WeakPolarHBondContact O-CB 3.41Å; Q262-A266 PolarHBondContact O-N 2.8Å; W263-A266 WeakPolarHBondContact O-CB 3.25Å; W263-A266 PolarHBondContact O-N 2.77Å; W263-A266 VanDerWaalsContact O-N 3.13Å; V264-A266 PolarHBondContact O-N 3.33Å; A266-A269 PolarHBondContact O-N 3.22Å
267C96.4Very high94.5Very high0 Ų056.1 Ų56.10%030%0.298CS..Hα-helixtrans-63.8-40.4172.8-74.50000112.1W263 V264 A269 L270 R277 L280 I284W263-C267 WeakPolarHBondContact CZ2-SG 3.27Å; W263-C267 PolarHBondContact O-N 2.88Å; W263-C267 PolarHBondContact O-SG 2.98Å; W263-C267 VanDerWaalsContact O-SG 3.36Å; V264-C267 WeakPolarHBondContact O-CA 3.36Å; V264-C267 VanDerWaalsContact O-CB 3.27Å; V264-C267 WeakPolarHBondContact O-CB 3.48Å; V264-C267 PolarHBondContact O-N 3.14Å; C267-A269 PolarHBondContact O-N 3.02Å; C267-L270 WeakPolarHBondContact O-CB 3.48Å; C267-L270 PolarHBondContact O-N 3.1Å; C267-L270 VanDerWaalsContact O-N 3.15Å; C267-R277 PolarHBondContact O-NH1 3.3Å; C267-R277 PolarHBondContact O-NH2 3.23Å; C267-R277 VanDerWaalsContact O-NH2 3.17Å; C267-L280 HydrophobicContact CB-CD2 3.94Å; C267-I284 HydrophobicContact CB-CD1 4.03Å
268D94.7Very high94.9Very high89 Ų8962.6 Ų62.648%0.47633%0.328SS..Hα-helixtrans-59.2-34.7175.7-63.3-23.6000111.6V264 H265 L270V264-D268 PolarHBondContact O-N 3.09Å; H265-D268 IonicContact ND1-OD2 3.59Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.23Å
269A94.8Very high95.2Very high81 Ų8168 Ų6867%0.66935%0.353SS*.THydrogen-bonded Turntrans-80.6-4.6-179.400000114.6H265 A266 C267H265-A269 PolarHBondContact O-N 3.38Å; A266-A269 PolarHBondContact O-N 3.22Å; C267-A269 PolarHBondContact O-N 3.02Å
270L95.5Very high95.3Very high45 Ų4568.4 Ų68.424%0.23636%0.355CS..  trans-69.5145.7178-67.1174.3000111.8L99 C267 D268 L272 R277 L280L99-L270 HydrophobicContact CD1-CD1 3.91Å; L99-L270 HydrophobicContact CD1-CD2 4.2Å; L99-L270 HydrophobicContact CD1-CG 4.11Å; L99-L270 HydrophobicContact CD2-CD2 4.3Å; C267-L270 WeakPolarHBondContact O-CB 3.48Å; C267-L270 PolarHBondContact O-N 3.1Å; C267-L270 VanDerWaalsContact O-N 3.15Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.23Å; L270-L272 HydrophobicContact CB-CD1 4.16Å; L270-L272 HydrophobicContact CB-CD2 4.34Å; L270-L272 HydrophobicContact CB-CG 3.86Å; L270-L272 HydrophobicContact CD1-CD1 4.04Å; L270-L272 HydrophobicContact CD1-CD2 4.45Å; L270-L272 HydrophobicContact CD1-CG 4.39Å; L270-R277 PolarHBondContact O-NH2 2.96Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å
271E95.9Very high95.5Very high197 Ų19771.2 Ų71.292%0.92137%0.37SS*.  trans-95.3102.7166.6-67.1-176.3178.700108.5
272L95.4Very high95.7Very high41 Ų4173.5 Ų73.522%0.21539%0.386CS..  trans-122.1149.1-176.6-62.6177.8000110.8L270 Q276 R277 L280L270-L272 HydrophobicContact CB-CD1 4.16Å; L270-L272 HydrophobicContact CB-CD2 4.34Å; L270-L272 HydrophobicContact CB-CG 3.86Å; L270-L272 HydrophobicContact CD1-CD1 4.04Å; L270-L272 HydrophobicContact CD1-CD2 4.45Å; L270-L272 HydrophobicContact CD1-CG 4.39Å; L272-Q276 HydrophobicContact CB-CB 4.3Å; L272-R277 HydrophobicContact CB-CB 4.43Å; L272-L280 HydrophobicContact CD1-CD2 3.71Å
273P97.1Very high96Very high81 Ų8175 Ų7553%0.52639%0.392SS..  trans-58.1145.8166-20.131.8000111.8Q275 Q276 R277P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.12Å; P273-Q275 VanDerWaalsContact O-N 3.09Å; P273-Q276 WeakPolarHBondContact O-CA 3.32Å; P273-Q276 PolarHBondContact O-N 2.75Å; P273-R277 PolarHBondContact O-N 3.11Å
274D96.3Very high96Very high135 Ų13575.5 Ų75.572%0.72240%0.395SS*.Hα-helixtrans-46.4-46.5-174.6-59.9-19.8000113.6Q276 R277 E278D274-Q276 VanDerWaalsContact C-N 3.34Å; D274-Q276 PolarHBondContact O-N 2.99Å; D274-R277 WeakPolarHBondContact O-CB 3.44Å; D274-R277 PolarHBondContact O-N 3.34Å; D274-E278 WeakPolarHBondContact O-CG 3.34Å; D274-E278 PolarHBondContact O-N 3.35Å
275Q96.1Very high96Very high141 Ų14179.2 Ų79.266%0.65941%0.414SS*.Hα-helixtrans-63.1-37179.7-172.5177.625.700113.3P273 Q279P273-Q275 VanDerWaalsContact C-N 3.28Å; P273-Q275 PolarHBondContact O-N 3.12Å; P273-Q275 VanDerWaalsContact O-N 3.09Å; Q275-Q279 VanDerWaalsContact O-CG 3.25Å; Q275-Q279 WeakPolarHBondContact O-CG 3.41Å; Q275-Q279 PolarHBondContact O-N 3.16Å
276Q95.9Very high96.2Very high102 Ų10278 Ų7848%0.47741%0.409SS..Hα-helixtrans-75.6-35.3177.9-68-179.22.400111.2L272 P273 D274 Q279 L280L272-Q276 HydrophobicContact CB-CB 4.3Å; P273-Q276 WeakPolarHBondContact O-CA 3.32Å; P273-Q276 PolarHBondContact O-N 2.75Å; D274-Q276 VanDerWaalsContact C-N 3.34Å; D274-Q276 PolarHBondContact O-N 2.99Å; Q276-Q279 PolarHBondContact O-N 3.32Å; Q276-L280 WeakPolarHBondContact O-CB 3.43Å; Q276-L280 PolarHBondContact O-N 2.81Å
277R97.1Very high96.2Very high46 Ų4677.4 Ų77.417%0.17440%0.403CS..Hα-helixtrans-59.2-52.7172.5176.656.758-165.31.8110.8C267 L270 L272 P273 D274 Q279 L280 D281C267-R277 PolarHBondContact O-NH1 3.3Å; C267-R277 PolarHBondContact O-NH2 3.23Å; C267-R277 VanDerWaalsContact O-NH2 3.17Å; L270-R277 PolarHBondContact O-NH2 2.96Å; L272-R277 HydrophobicContact CB-CB 4.43Å; P273-R277 PolarHBondContact O-N 3.11Å; D274-R277 WeakPolarHBondContact O-CB 3.44Å; D274-R277 PolarHBondContact O-N 3.34Å; R277-Q279 VanDerWaalsContact C-N 3.29Å; R277-Q279 PolarHBondContact O-N 2.8Å; R277-L280 PolarHBondContact O-N 3.36Å; R277-L280 VanDerWaalsContact O-N 3.13Å; R277-D281 WeakPolarHBondContact CD-OD1 3.4Å; R277-D281 WeakPolarHBondContact CD-OD2 3.16Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 IonicContact NH1-OD1 2.87Å; R277-D281 WeakPolarHBondContact O-CB 3.24Å; R277-D281 PolarHBondContact O-N 3.4Å
278E96.9Very high96Very high136 Ų13680.3 Ų80.364%0.63642%0.415SS*.Hα-helixtrans-57.8-39.8177.4-73.8178.7178.700112.7D274 S282D274-E278 WeakPolarHBondContact O-CG 3.34Å; D274-E278 PolarHBondContact O-N 3.35Å; E278-S282 VanDerWaalsContact O-CB 3.23Å; E278-S282 WeakPolarHBondContact O-CB 3.29Å; E278-S282 PolarHBondContact O-N 2.75Å
279Q96.9Very high95.9Very high120 Ų12082 Ų8256%0.56142%0.418SS*.Hα-helixtrans-65.5-42.5176.5-75.6172.7300112.5Q275 Q276 R277 F283Q275-Q279 VanDerWaalsContact O-CG 3.25Å; Q275-Q279 WeakPolarHBondContact O-CG 3.41Å; Q275-Q279 PolarHBondContact O-N 3.16Å; Q276-Q279 PolarHBondContact O-N 3.32Å; R277-Q279 VanDerWaalsContact C-N 3.29Å; R277-Q279 PolarHBondContact O-N 2.8Å; Q279-F283 WeakPolarHBondContact O-CB 3.48Å; Q279-F283 PolarHBondContact O-N 3.24Å
280L96.8Very high95.8Very high10 Ų1081.2 Ų81.25%0.05240%0.403CS..Hα-helixtrans-67.8-46.2178.9-179.757.2000111.2P95 W263 C267 L270 L272 Q276 R277 S282 F283 I284P95-L280 HydrophobicContact CB-CD1 4.38Å; P95-L280 HydrophobicContact CG-CD1 3.61Å; W263-L280 HydrophobicContact CH2-CD1 4.46Å; C267-L280 HydrophobicContact CB-CD2 3.94Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å; L272-L280 HydrophobicContact CD1-CD2 3.71Å; Q276-L280 WeakPolarHBondContact O-CB 3.43Å; Q276-L280 PolarHBondContact O-N 2.81Å; R277-L280 PolarHBondContact O-N 3.36Å; R277-L280 VanDerWaalsContact O-N 3.13Å; L280-S282 VanDerWaalsContact C-N 3.35Å; L280-S282 PolarHBondContact O-N 2.98Å; L280-F283 WeakPolarHBondContact O-CB 3.32Å; L280-F283 PolarHBondContact O-N 2.98Å; L280-F283 VanDerWaalsContact O-N 3.12Å; L280-I284 HydrophobicContact CD1-CD1 4.13Å; L280-I284 HydrophobicContact CD1-CG1 4.37Å; L280-I284 HydrophobicContact CG-CD1 4.07Å; L280-I284 WeakPolarHBondContact O-CG1 3.29Å; L280-I284 PolarHBondContact O-N 3.23Å
281D96.4Very high95.6Very high59 Ų5979.1 Ų79.132%0.31639%0.392SS..Hα-helixtrans-63-44179.3-61.1-11.8000110R277 F283 I284 D285R277-D281 WeakPolarHBondContact CD-OD1 3.4Å; R277-D281 WeakPolarHBondContact CD-OD2 3.16Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 IonicContact NH1-OD1 2.87Å; R277-D281 WeakPolarHBondContact O-CB 3.24Å; R277-D281 PolarHBondContact O-N 3.4Å; D281-F283 VanDerWaalsContact C-N 3.28Å; D281-F283 PolarHBondContact O-N 3.36Å; D281-I284 PolarHBondContact O-N 3.17Å; D281-D285 WeakPolarHBondContact O-CB 3.43Å; D281-D285 PolarHBondContact O-N 3.34Å
282S97.4Very high95.2Very high78 Ų7873.5 Ų73.555%0.54537%0.368SS..Hα-helixtrans-62.1-33.3174.2-179.70000113.2E278 L280 Q286E278-S282 VanDerWaalsContact O-CB 3.23Å; E278-S282 WeakPolarHBondContact O-CB 3.29Å; E278-S282 PolarHBondContact O-N 2.75Å; L280-S282 VanDerWaalsContact C-N 3.35Å; L280-S282 PolarHBondContact O-N 2.98Å; S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 2.94Å; S282-Q286 VanDerWaalsContact O-N 3.13Å
283F97.3Very high95Very high63 Ų6380.4 Ų80.428%0.27640%0.396SS..Hα-helixtrans-68.8-45.5175.1172.3-86.5000111L92 L94 P95 W263 Q279 L280 D281 Q286 L287L92-F283 HydrophobicContact CD1-CE2 4.41Å; L92-F283 HydrophobicContact CD1-CZ 4.1Å; L94-F283 HydrophobicContact CD2-CE1 3.82Å; L94-F283 HydrophobicContact CD2-CZ 3.96Å; P95-F283 HydrophobicContact CG-CD1 3.96Å; P95-F283 HydrophobicContact CG-CE1 4Å; P95-F283 HydrophobicContact CG-CG 4.47Å; W263-F283 HydrophobicContact CH2-CD1 4.29Å; W263-F283 HydrophobicContact CH2-CE1 4.08Å; Q279-F283 WeakPolarHBondContact O-CB 3.48Å; Q279-F283 PolarHBondContact O-N 3.24Å; L280-F283 WeakPolarHBondContact O-CB 3.32Å; L280-F283 PolarHBondContact O-N 2.98Å; L280-F283 VanDerWaalsContact O-N 3.12Å; D281-F283 VanDerWaalsContact C-N 3.28Å; D281-F283 PolarHBondContact O-N 3.36Å; F283-Q286 PolarHBondContact O-N 3.2Å; F283-L287 HydrophobicContact CE1-CD2 4.34Å; F283-L287 WeakPolarHBondContact O-CB 3.49Å; F283-L287 PolarHBondContact O-N 2.88Å
284I96.2Very high94.5Very high10 Ų1078.8 Ų78.85%0.05139%0.39CS..Hα-helixtrans-63-45.2179.1-67.6171.3000110.3W263 V264 C267 L280 D281 Q286 L287 Y288W263-I284 HydrophobicContact CH2-CD1 4.2Å; W263-I284 HydrophobicContact CH2-CG1 3.87Å; W263-I284 HydrophobicContact CZ3-CD1 4.16Å; W263-I284 HydrophobicContact CZ3-CG1 3.84Å; V264-I284 HydrophobicContact CG1-CD1 4.5Å; V264-I284 HydrophobicContact CG1-CG2 4.15Å; V264-I284 HydrophobicContact CG2-CG2 4.11Å; C267-I284 HydrophobicContact CB-CD1 4.03Å; L280-I284 HydrophobicContact CD1-CD1 4.13Å; L280-I284 HydrophobicContact CD1-CG1 4.37Å; L280-I284 HydrophobicContact CG-CD1 4.07Å; L280-I284 WeakPolarHBondContact O-CG1 3.29Å; L280-I284 PolarHBondContact O-N 3.23Å; D281-I284 PolarHBondContact O-N 3.17Å; I284-Q286 VanDerWaalsContact C-N 3.33Å; I284-Q286 PolarHBondContact O-N 2.59Å; I284-L287 WeakPolarHBondContact O-CB 3.43Å; I284-L287 PolarHBondContact O-N 3.45Å; I284-L287 VanDerWaalsContact O-N 3.16Å; I284-Y288 HydrophobicContact CG2-CD2 3.82Å; I284-Y288 HydrophobicContact CG2-CE2 3.74Å; I284-Y288 WeakPolarHBondContact O-CD2 3.17Å; I284-Y288 PolarHBondContact O-N 3.07Å
285D95.4Very high93.7Very high94 Ų9476.2 Ų76.250%0.50337%0.374SS..Hα-helixtrans-59.7-42.8176.2-76.6-11.3000112.1D281 L287 K289D281-D285 WeakPolarHBondContact O-CB 3.43Å; D281-D285 PolarHBondContact O-N 3.34Å; D285-L287 VanDerWaalsContact C-N 3.35Å; D285-K289 WeakPolarHBondContact O-CG 3.49Å; D285-K289 PolarHBondContact O-N 3.29Å; D285-K289 VanDerWaalsContact O-N 3.14Å
286Q95.9Very high92.7Very high93 Ų9371.3 Ų71.344%0.43536%0.361SS..Hα-helixtrans-67.3-38.5176.7-172.858.452.900111.5S282 F283 I284 K289 D290S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 2.94Å; S282-Q286 VanDerWaalsContact O-N 3.13Å; F283-Q286 PolarHBondContact O-N 3.2Å; I284-Q286 VanDerWaalsContact C-N 3.33Å; I284-Q286 PolarHBondContact O-N 2.59Å; Q286-K289 PolarHBondContact O-N 3.12Å; Q286-D290 PolarHBondContact NE2-OD1 2.94Å; Q286-D290 VanDerWaalsContact O-CG 3.23Å; Q286-D290 PolarHBondContact O-N 3.48Å
287L94.9Very high91.3Very high4 Ų475 Ų752%0.02138%0.379CS..Hα-helixtrans-60.4-46.7176.7175.860.5000111.6A83 L92 L94 L260 F283 I284 D285 D290 I291A83-L287 HydrophobicContact CB-CD1 4.29Å; A83-L287 HydrophobicContact CB-CD2 4.29Å; L92-L287 HydrophobicContact CD2-CD1 3.59Å; L94-L287 HydrophobicContact CD2-CD2 3.73Å; L260-L287 HydrophobicContact CD1-CD2 3.85Å; L260-L287 HydrophobicContact CD2-CD2 4.36Å; F283-L287 HydrophobicContact CE1-CD2 4.34Å; F283-L287 WeakPolarHBondContact O-CB 3.49Å; F283-L287 PolarHBondContact O-N 2.88Å; I284-L287 WeakPolarHBondContact O-CB 3.43Å; I284-L287 PolarHBondContact O-N 3.45Å; I284-L287 VanDerWaalsContact O-N 3.16Å; D285-L287 VanDerWaalsContact C-N 3.35Å; L287-D290 PolarHBondContact O-N 3.13Å; L287-I291 HydrophobicContact CD1-CD1 4.15Å; L287-I291 HydrophobicContact CD1-CG1 4.37Å; L287-I291 HydrophobicContact CG-CD1 4.07Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 2.97Å
288Y92.8Very high89.6Confident61 Ų6175 Ų7524%0.23938%0.38CS..Hα-helixtrans-63.7-40.9176.8-83.1-72.8000112.1V264 I284 D290 I291 D292V264-Y288 HydrophobicContact CG2-CE2 3.98Å; I284-Y288 HydrophobicContact CG2-CD2 3.82Å; I284-Y288 HydrophobicContact CG2-CE2 3.74Å; I284-Y288 WeakPolarHBondContact O-CD2 3.17Å; I284-Y288 PolarHBondContact O-N 3.07Å; Y288-D290 VanDerWaalsContact C-N 3.29Å; Y288-D290 PolarHBondContact O-N 3.45Å; Y288-I291 PolarHBondContact O-N 3.11Å; Y288-D292 VanDerWaalsContact O-CG 3.31Å; Y288-D292 PolarHBondContact O-N 3.05Å
289K92.3Very high88Confident124 Ų12473 Ų7354%0.53937%0.374SS..Hα-helixtrans-59.6-39.6173.2-72.2168.3-175.4164.70112.7D285 Q286 K293D285-K289 WeakPolarHBondContact O-CG 3.49Å; D285-K289 PolarHBondContact O-N 3.29Å; D285-K289 VanDerWaalsContact O-N 3.14Å; Q286-K289 PolarHBondContact O-N 3.12Å; K289-K293 VanDerWaalsContact O-CB 3.3Å; K289-K293 WeakPolarHBondContact O-CB 3.5Å; K289-K293 PolarHBondContact O-N 3.06Å
290D93Very high86.6Confident66 Ų6670.5 Ų70.535%0.35336%0.364SS..Hα-helixtrans-69.4-36.6178.2-69.9-13.9000111.6C87 Q286 L287 Y288 A294C87-D290 HydrophobicContact CB-CB 4.37Å; Q286-D290 PolarHBondContact NE2-OD1 2.94Å; Q286-D290 VanDerWaalsContact O-CG 3.23Å; Q286-D290 PolarHBondContact O-N 3.48Å; L287-D290 PolarHBondContact O-N 3.13Å; Y288-D290 VanDerWaalsContact C-N 3.29Å; Y288-D290 PolarHBondContact O-N 3.45Å; D290-A294 WeakPolarHBondContact O-CB 3.49Å; D290-A294 PolarHBondContact O-N 2.88Å; D290-A294 VanDerWaalsContact O-N 3.14Å
291I90.9Very high85.8Confident1 Ų171.9 Ų71.91%0.00537%0.374CS..Hα-helixtrans-64.7-51.4173.4-69.4169000110.4L86 C87 L260 L287 Y288 K293 A294 M295 F298L86-I291 HydrophobicContact CB-CD1 4.06Å; L86-I291 HydrophobicContact CB-CG1 3.81Å; L86-I291 HydrophobicContact CB-CG2 4.04Å; L86-I291 HydrophobicContact CD1-CD1 4.21Å; C87-I291 HydrophobicContact CB-CG1 4.25Å; L260-I291 HydrophobicContact CD2-CD1 3.59Å; L287-I291 HydrophobicContact CD1-CD1 4.15Å; L287-I291 HydrophobicContact CD1-CG1 4.37Å; L287-I291 HydrophobicContact CG-CD1 4.07Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 2.97Å; Y288-I291 PolarHBondContact O-N 3.11Å; I291-K293 PolarHBondContact O-N 3.34Å; I291-A294 PolarHBondContact O-N 3.47Å; I291-M295 PolarHBondContact O-N 2.76Å; I291-F298 HydrophobicContact CG2-CB 4.13Å; I291-F298 HydrophobicContact CG2-CG 4.24Å
292D89Confident85.3Confident79 Ų7969.2 Ų69.242%0.42236%0.359SS..Hα-helixtrans-59.3-38.5-179.4-69.2-19000111.1Y288 A294 G296Y288-D292 VanDerWaalsContact O-CG 3.31Å; Y288-D292 PolarHBondContact O-N 3.05Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.16Å; D292-G296 WeakPolarHBondContact CA-O 3.25Å; D292-G296 WeakPolarHBondContact O-CA 3.45Å; D292-G296 PolarHBondContact O-N 3.41Å
293K89.4Confident85Confident185 Ų18565.5 Ų65.580%0.80433%0.333SS*.Hα-helixtrans-65.8-34.7175.1-176.5-179.6177.7-175.40113.1K289 I291K289-K293 VanDerWaalsContact O-CB 3.3Å; K289-K293 WeakPolarHBondContact O-CB 3.5Å; K289-K293 PolarHBondContact O-N 3.06Å; I291-K293 PolarHBondContact O-N 3.34Å
294A87Confident84.9Confident48 Ų4862.5 Ų62.540%0.39732%0.321SS..Hα-helixtrans-84.4-35.8-176.200000112.7L86 D290 I291 D292L86-A294 WeakPolarHBondContact O-CB 3.2Å; D290-A294 WeakPolarHBondContact O-CB 3.49Å; D290-A294 PolarHBondContact O-N 2.88Å; D290-A294 VanDerWaalsContact O-N 3.14Å; I291-A294 PolarHBondContact O-N 3.47Å; D292-A294 VanDerWaalsContact C-N 3.34Å; D292-A294 PolarHBondContact O-N 3.16Å
295M79.1Confident84.9Confident80 Ų8062 Ų6239%0.39432%0.318SS..Hα-helixtrans-119.1-8.2-168.2-61.7-62.3-58.900114L86 I291L86-M295 WeakPolarHBondContact O-CG 3.3Å; I291-M295 PolarHBondContact O-N 2.76Å
296G77.1Confident84.9Confident38 Ų3857.6 Ų57.639%0.39229%0.294SS..SBendtrans76.2-156.8-168.700000111.8D292 F298D292-G296 WeakPolarHBondContact CA-O 3.25Å; D292-G296 WeakPolarHBondContact O-CA 3.45Å; D292-G296 PolarHBondContact O-N 3.41Å; G296-F298 PolarHBondContact O-N 2.99Å
297E66.1Low84.9Confident180 Ų18053.1 Ų53.184%0.84127%0.273SS*.SBendtrans-64.2107.5179.3-163177.3-168.200110.7L299E297-L299 PolarHBondContact O-N 3.36Å
298F60.6Low84.8Confident47 Ų4753 Ų5321%0.20627%0.273CS..  trans-88.6108.5-176.1-179.3-106.6000111.6L86 I291 G296 N300L86-F298 HydrophobicContact CD1-CE1 3.99Å; L86-F298 HydrophobicContact CD1-CE2 4.04Å; L86-F298 HydrophobicContact CD1-CZ 3.68Å; L86-F298 HydrophobicContact CD2-CD2 3.84Å; L86-F298 HydrophobicContact CD2-CE2 3.33Å; L86-F298 HydrophobicContact CD2-CZ 3.85Å; L86-F298 HydrophobicContact CG-CE2 4.34Å; L86-F298 HydrophobicContact CG-CZ 4.44Å; I291-F298 HydrophobicContact CG2-CB 4.13Å; I291-F298 HydrophobicContact CG2-CG 4.24Å; G296-F298 PolarHBondContact O-N 2.99Å; F298-N300 VanDerWaalsContact CE1-OD1 3.27Å; F298-N300 WeakPolarHBondContact CE1-OD1 3.43Å
299L62.7Low85Confident94 Ų9450.1 Ų50.149%0.49226%0.261SS..  trans-84.4123.6171-65.5172.4000110.3P161 E297 C301P161-L299 HydrophobicContact CB-CD1 3.76Å; P161-L299 HydrophobicContact CG-CD1 4.39Å; E297-L299 PolarHBondContact O-N 3.36Å; L299-C301 PolarHBondContact O-N 2.92Å
300N69.4Low85.1Confident67 Ų6744.7 Ų44.736%0.35824%0.238SC..  trans-73.150170.9-69.9-71.5000111.4G256 F298G256-N300 WeakPolarHBondContact CA-O 3.36Å; F298-N300 VanDerWaalsContact CE1-OD1 3.27Å; F298-N300 WeakPolarHBondContact CE1-OD1 3.43Å
301C78.6Confident85.2Confident38 Ų3842.9 Ų42.926%0.25723%0.23SC..  trans-126.2108.6-179.8-164.90000109.3F58 N61 G254 L299F58-C301 HydrophobicContact CE2-CB 4.38Å; N61-C301 PolarHBondContact ND2-O 3Å; G254-C301 WeakPolarHBondContact CA-SG 3.45Å; L299-C301 PolarHBondContact O-N 2.92Å
302E85.8Confident85.4Confident3 Ų343.1 Ų43.11%0.01423%0.232CC..  trans-97.9-12.8-169.5-56.4-58.2163.200113.9Q57 F58 N61 Y66 I255 T257Q57-E302 WeakPolarHBondContact CA-O 3.47Å; Q57-E302 WeakPolarHBondContact CG-O 3.15Å; F58-E302 PolarHBondContact N-O 2.91Å; N61-E302 WeakPolarHBondContact ND2-CA 3.45Å; N61-E302 PolarHBondContact ND2-OE2 3.43Å; Y66-E302 HydrophobicContact CD1-CB 4.08Å; Y66-E302 HydrophobicContact CD1-CG 3.95Å; Y66-E302 WeakPolarHBondContact CD1-OE2 3.4Å; Y66-E302 HydrophobicContact CE1-CB 3.68Å; Y66-E302 VanDerWaalsContact CE1-CD 3.41Å; Y66-E302 HydrophobicContact CE1-CG 3.34Å; Y66-E302 WeakPolarHBondContact CE1-OE2 3.37Å; Y66-E302 HydrophobicContact CE2-CG 4.48Å; I255-E302 PolarHBondContact O-N 3.35Å; T257-E302 WeakPolarHBondContact O-CG 3.49Å; T257-E302 WeakPolarHBondContact OG1-CB 3.27Å; T257-E302 VanDerWaalsContact OG1-CG 3.25Å; T257-E302 WeakPolarHBondContact OG1-CG 3.09Å
303G92.6Very high85.7Confident0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-179.4-169.1-177.200000111.3S56 F58 G254 I255S56-G303 CarbonylContact O-C 3.51Å; S56-G303 WeakPolarHBondContact O-CA 3.43Å; F58-G303 WeakPolarHBondContact CZ-O 3.43Å; G254-G303 CarbonylContact C-O 3.57Å; G254-G303 WeakPolarHBondContact CA-O 3.25Å; I255-G303 PolarHBondContact N-O 3.16Å
304S94Very high86Confident1 Ų131.9 Ų31.91%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-136.8160.4177.953.90000111.4S55 S56 Q253S55-S304 CarbonylContact C-O 3.55Å; S55-S304 WeakPolarHBondContact CA-O 3.24Å; S55-S304 WeakPolarHBondContact CB-O 3.2Å; S56-S304 PolarHBondContact N-O 3.3Å; S56-S304 PolarHBondContact O-N 2.95Å; Q253-S304 CarbonylContact O-C 3.55Å; Q253-S304 VanDerWaalsContact O-CA 3.23Å; Q253-S304 WeakPolarHBondContact O-CA 3.2Å
305G95.8Very high86.4Confident0 Ų030.4 Ų30.40%017%0.166CC..EExtended strand (participates in β ladder)trans-147.9164.6173.900000113.2V54 Q253V54-G305 CarbonylContact O-C 3.6Å; V54-G305 WeakPolarHBondContact O-CA 3.46Å; Q253-G305 PolarHBondContact N-O 3.44Å; Q253-G305 PolarHBondContact O-N 2.92Å
306L95.7Very high87.1Confident0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-106.5116.9177.2-64.3-179.8000110.6P52 L53 V54 L168 M172 F189 F192 L247 N251P52-L306 CarbonylContact C-O 3.59Å; P52-L306 WeakPolarHBondContact CA-O 3.3Å; P52-L306 WeakPolarHBondContact CB-O 3.34Å; L53-L306 PolarHBondContact N-O 2.76Å; V54-L306 HydrophobicContact CG2-CB 4.27Å; V54-L306 HydrophobicContact CG2-CD1 3.88Å; V54-L306 HydrophobicContact CG2-CG 4.15Å; V54-L306 PolarHBondContact O-N 2.82Å; L168-L306 HydrophobicContact CD2-CD1 4.3Å; L168-L306 HydrophobicContact CD2-CD2 4Å; L168-L306 HydrophobicContact CD2-CG 3.73Å; L168-L306 HydrophobicContact CG-CG 4.37Å; M172-L306 HydrophobicContact CE-CD1 4.42Å; M172-L306 HydrophobicContact CG-CD1 4.29Å; M172-L306 HydrophobicContact SD-CD1 3.87Å; F189-L306 HydrophobicContact CE1-CD1 4.37Å; F192-L306 HydrophobicContact CE1-CB 4.08Å; F192-L306 HydrophobicContact CE2-CB 4.09Å; F192-L306 HydrophobicContact CE2-CD1 4.37Å; F192-L306 HydrophobicContact CZ-CB 3.62Å; L247-L306 HydrophobicContact CD2-CD1 3.73Å; L247-L306 HydrophobicContact CD2-CD2 4.23Å; N251-L306 HydrophobicContact CB-CD2 4.17Å
307Y96.4Very high87.9Confident0 Ų025.4 Ų25.40%013%0.133CC..  trans-117.6122.7-176.8-62.8-96.4000109.5E50 P52 F192 Q253 I255 S311 F325 F330 L332E50-Y307 HydrophobicContact CB-CD1 4.29Å; E50-Y307 HydrophobicContact CG-CD1 4.03Å; E50-Y307 WeakPolarHBondContact O-CE1 3.37Å; P52-Y307 HydrophobicContact CB-CD1 4.08Å; P52-Y307 HydrophobicContact CB-CD2 4.28Å; P52-Y307 HydrophobicContact CB-CE1 3.76Å; P52-Y307 HydrophobicContact CB-CE2 3.98Å; P52-Y307 HydrophobicContact CB-CG 4.32Å; P52-Y307 VanDerWaalsContact CD-CE1 3.41Å; P52-Y307 HydrophobicContact CG-CE1 4.04Å; F192-Y307 WeakPolarHBondContact CE1-O 2.99Å; Q253-Y307 HydrophobicContact CB-CD2 3.72Å; Q253-Y307 HydrophobicContact CB-CE2 3.86Å; Q253-Y307 HydrophobicContact CG-CD2 4.16Å; Q253-Y307 HydrophobicContact CG-CE2 4.04Å; I255-Y307 HydrophobicContact CD1-CE2 4.24Å; I255-Y307 WeakPolarHBondContact CD1-OH 3.43Å; I255-Y307 HydrophobicContact CG1-CE2 4.29Å; I255-Y307 WeakPolarHBondContact CG1-OH 3.03Å; Y307-S311 WeakPolarHBondContact O-CB 3.38Å; Y307-S311 PolarHBondContact O-N 3.34Å; Y307-S311 PolarHBondContact O-OG 2.98Å; Y307-S311 VanDerWaalsContact O-OG 3.09Å; Y307-F325 WeakPolarHBondContact OH-CE1 3.37Å; Y307-F330 WeakPolarHBondContact CE1-O 3.06Å; Y307-F330 PolarHBondContact OH-O 3.11Å; Y307-L332 HydrophobicContact CD1-CB 3.73Å; Y307-L332 HydrophobicContact CD1-CD1 4.06Å; Y307-L332 HydrophobicContact CD1-CG 4.49Å; Y307-L332 HydrophobicContact CD2-CD1 4.1Å; Y307-L332 HydrophobicContact CE1-CB 3.41Å; Y307-L332 VanDerWaalsContact CE1-CB 3.41Å; Y307-L332 HydrophobicContact CE1-CD1 4.18Å; Y307-L332 HydrophobicContact CE1-CG 4.45Å; Y307-L332 HydrophobicContact CE2-CD1 4.22Å; Y307-L332 HydrophobicContact CG-CD1 4.02Å
308L93.8Very high89.3Confident1 Ų121.2 Ų21.21%0.00512%0.115CC..THydrogen-bonded Turntrans-69-46.1-171.1-71.4171.1000113.1M8 L11 E50 L53 L188 H191 F192 S311 S312M8-L308 HydrophobicContact CB-CD1 4.49Å; M8-L308 HydrophobicContact CE-CB 4.39Å; L11-L308 HydrophobicContact CD1-CD1 3.98Å; L11-L308 HydrophobicContact CD1-CG 4.44Å; E50-L308 WeakPolarHBondContact OE1-CA 3.4Å; E50-L308 PolarHBondContact OE1-N 2.79Å; L53-L308 HydrophobicContact CD1-CD1 3.64Å; L53-L308 HydrophobicContact CD1-CD2 3.8Å; L53-L308 HydrophobicContact CD1-CG 3.33Å; L188-L308 HydrophobicContact CD2-CD1 3.72Å; H191-L308 HydrophobicContact CB-CD2 4.01Å; F192-L308 HydrophobicContact CD2-CD2 4.38Å; F192-L308 HydrophobicContact CE1-CD2 4.24Å; F192-L308 HydrophobicContact CE2-CD2 3.65Å; F192-L308 HydrophobicContact CZ-CD2 3.56Å; F192-L308 HydrophobicContact CZ-CG 4.13Å; L308-S311 PolarHBondContact O-OG 3.28Å; L308-S312 PolarHBondContact O-OG 3.49Å
309L95.1Very high91Very high0 Ų019.5 Ų19.50%011%0.109CC..THydrogen-bonded Turntrans-80.7-42.7-176.9-64.1-178.5000110.4M8 F9 C12 V18 V24 L48 E50 S311 S312M8-L309 HydrophobicContact CB-CD2 4.23Å; M8-L309 HydrophobicContact CE-CD2 4.37Å; F9-L309 HydrophobicContact CD1-CD1 3.58Å; F9-L309 HydrophobicContact CD1-CD2 4.25Å; F9-L309 HydrophobicContact CE1-CD1 3.86Å; F9-L309 HydrophobicContact CE1-CD2 4.01Å; F9-L309 HydrophobicContact CG-CD1 4.35Å; F9-L309 HydrophobicContact CZ-CD2 4.25Å; C12-L309 WeakPolarHBondContact SG-CD1 3.23Å; V18-L309 HydrophobicContact CG1-CD1 3.82Å; V24-L309 HydrophobicContact CG2-CD2 3.91Å; L48-L309 HydrophobicContact CD2-CB 3.95Å; L48-L309 HydrophobicContact CD2-CD1 4.02Å; E50-L309 PolarHBondContact OE1-N 3.04Å; E50-L309 PolarHBondContact OE2-N 3.02Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.43Å; L309-S312 VanDerWaalsContact O-CB 3.3Å; L309-S312 WeakPolarHBondContact O-CB 3.49Å; L309-S312 PolarHBondContact O-N 3.13Å
310Q95.8Very high92.7Very high10 Ų1015.7 Ų15.75%0.0479%0.089CC..G310 helixtrans-62.9-36.3176.9-179-87.3-20.900112.4E50 S312 C313 L332 I348E50-Q310 PolarHBondContact OE2-N 3.07Å; Q310-S312 PolarHBondContact O-N 3.5Å; Q310-C313 WeakPolarHBondContact O-CB 3.21Å; Q310-C313 PolarHBondContact O-N 2.9Å; Q310-L332 HydrophobicContact CB-CD1 3.96Å; Q310-L332 HydrophobicContact CB-CD2 3.99Å; Q310-L332 HydrophobicContact CG-CD1 3.66Å; Q310-L332 HydrophobicContact CG-CD2 4.05Å; Q310-I348 HydrophobicContact CG-CD1 4.48Å
311S94.4Very high94.1Very high28 Ų2812.6 Ų12.620%0.1967%0.072CC..G310 helixtrans-66.9-8.4174.776.90000113.8F192 Y307 L308 L309F192-S311 WeakPolarHBondContact CD1-OG 3.36Å; F192-S311 WeakPolarHBondContact CE1-OG 3.43Å; Y307-S311 WeakPolarHBondContact O-CB 3.38Å; Y307-S311 PolarHBondContact O-N 3.34Å; Y307-S311 PolarHBondContact O-OG 2.98Å; Y307-S311 VanDerWaalsContact O-OG 3.09Å; L308-S311 PolarHBondContact O-OG 3.28Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.43Å
312S94.8Very high94.9Very high7 Ų715.2 Ų15.25%0.0498%0.081CC..G310 helixtrans-89.5-5.4172.6-54.60000112.7G34 L35 L308 L309 Q310G34-S312 CarbonylContact C-O 3.52Å; G34-S312 VanDerWaalsContact CA-O 3.24Å; G34-S312 WeakPolarHBondContact CA-O 3.27Å; L35-S312 PolarHBondContact N-O 3.35Å; L308-S312 PolarHBondContact O-OG 3.49Å; L309-S312 VanDerWaalsContact O-CB 3.3Å; L309-S312 WeakPolarHBondContact O-CB 3.49Å; L309-S312 PolarHBondContact O-N 3.13Å; Q310-S312 PolarHBondContact O-N 3.5Å
313C96.3Very high95.4Very high0 Ų016.5 Ų16.50%09%0.092CC..PPolyproline II helixtrans-80.5118.7176.1-61.60000109.7L35 Q310 I348 Y350L35-C313 VanDerWaalsContact CD2-SG 3.53Å; Q310-C313 WeakPolarHBondContact O-CB 3.21Å; Q310-C313 PolarHBondContact O-N 2.9Å; C313-I348 HydrophobicContact CB-CD1 4.06Å; C313-I348 HydrophobicContact CB-CG1 3.92Å; C313-I348 HydrophobicContact CB-CG2 4.05Å; C313-Y350 WeakPolarHBondContact O-CE1 3.37Å; C313-Y350 PolarHBondContact O-OH 3.35Å
314N95.3Very high95.4Very high28 Ų2818.1 Ų18.115%0.1510%0.104CC..EExtended strand (participates in β ladder)trans-77.5165.4177.5-75.3-46.7000112.4K33 E345 C347 I348K33-N314 PolarHBondContact O-ND2 3.45Å; N314-E345 WeakPolarHBondContact CB-OE1 3.49Å; N314-E345 PolarHBondContact ND2-OE1 2.9Å; N314-C347 CarbonylContact O-C 3.33Å; N314-C347 WeakPolarHBondContact O-CA 3.45Å; N314-C347 WeakPolarHBondContact O-CB 3.48Å; N314-I348 PolarHBondContact O-N 3.04Å
315H94.8Very high95.5Very high17 Ų1719.5 Ų19.58%0.07911%0.11CC..EExtended strand (participates in β ladder)trans-75140177-178.968.6000113.4C317 I348 Y350 F373H315-C317 PolarHBondContact NE2-N 3.44Å; H315-C317 PolarHBondContact NE2-SG 3.33Å; H315-I348 CarbonylContact C-O 3.57Å; H315-I348 VanDerWaalsContact CA-O 3.28Å; H315-I348 WeakPolarHBondContact CA-O 3.34Å; H315-Y350 HydrophobicContact CB-CD1 4.26Å; H315-Y350 HydrophobicContact CB-CD2 3.74Å; H315-Y350 HydrophobicContact CB-CE1 4.37Å; H315-Y350 HydrophobicContact CB-CE2 3.88Å; H315-Y350 HydrophobicContact CB-CG 3.92Å; H315-Y350 AromaticContact ND1-CG 3.85Å; H315-Y350 PolarHBondContact ND1-N 2.85Å; H315-F373 HydrophobicContact CB-CE1 4.27Å; H315-F373 HydrophobicContact CB-CE2 4.11Å; H315-F373 HydrophobicContact CB-CZ 3.43Å; H315-F373 VanDerWaalsContact CB-CZ 3.43Å; H315-F373 AromaticContact CD2-CZ 3.82Å; H315-F373 AromaticContact CG-CZ 3.76Å
316S95.3Very high95.3Very high13 Ų1322.6 Ų22.69%0.09113%0.13CC..  trans-139.2139.7156.1177.60000110.1I318 P319 I348S316-I318 WeakPolarHBondContact CB-O 3.41Å; S316-I318 PolarHBondContact O-N 2.92Å; S316-I318 PolarHBondContact OG-N 3.2Å; S316-I318 VanDerWaalsContact OG-N 3.15Å; S316-I318 PolarHBondContact OG-O 2.93Å; S316-P319 WeakPolarHBondContact O-CD 3.46Å; S316-I348 PolarHBondContact N-O 3.31Å
317C93.9Very high95.1Very high0 Ų025.7 Ų25.70%015%0.146CC..SBendtrans-68-18.3172.4-53.60000112H315 R356 R363 K379H315-C317 PolarHBondContact NE2-N 3.44Å; H315-C317 PolarHBondContact NE2-SG 3.33Å; C317-R356 PolarHBondContact O-NE 3.23Å; C317-R356 PolarHBondContact O-NH2 2.88Å; C317-R363 PolarHBondContact SG-NE 3.38Å; C317-R363 VanDerWaalsContact SG-NE 3.4Å; C317-K379 HydrophobicContact CB-CB 4.22Å; C317-K379 HydrophobicContact CB-CD 3.97Å
318I94.4Very high94.8Very high92 Ų9225.9 Ų25.947%0.47215%0.147SC..SBendtrans-119.479.6167.2-54.9170.4000106.7S316 K379S316-I318 WeakPolarHBondContact CB-O 3.41Å; S316-I318 PolarHBondContact O-N 2.92Å; S316-I318 PolarHBondContact OG-N 3.2Å; S316-I318 VanDerWaalsContact OG-N 3.15Å; S316-I318 PolarHBondContact OG-O 2.93Å; I318-K379 HydrophobicContact CD1-CB 3.65Å; I318-K379 HydrophobicContact CD1-CD 4.42Å; I318-K379 HydrophobicContact CD1-CG 4.27Å; I318-K379 HydrophobicContact CG1-CB 3.84Å; I318-K379 HydrophobicContact CG1-CD 4.07Å; I318-K379 HydrophobicContact CG1-CG 4.38Å
319P96.9Very high94.9Very high11 Ų1126.4 Ų26.47%0.07115%0.15CC..  trans-70.5151.2179.733.6-34.2000110.6S316 L337 C347S316-P319 WeakPolarHBondContact O-CD 3.46Å; P319-L337 HydrophobicContact CG-CD1 4.02Å; P319-C347 WeakPolarHBondContact CA-O 3.46Å; P319-C347 WeakPolarHBondContact CB-O 3.35Å
320N98.1Very high95Very high14 Ų1427.1 Ų27.18%0.07515%0.153CC..SBendtrans-101.3-3.2172.659.88.8000112A336 L337 S338 I340 E344 E345 C347N320-A336 CarbonylContact O-C 3.41Å; N320-L337 PolarHBondContact O-N 3.2Å; N320-S338 WeakPolarHBondContact CB-OG 3.28Å; N320-I340 HydrophobicContact CB-CD1 4.33Å; N320-I340 HydrophobicContact CB-CG1 4.08Å; N320-E344 PolarHBondContact ND2-OE1 3.1Å; N320-E345 PolarHBondContact ND2-O 3.24Å; N320-C347 PolarHBondContact N-O 3.32Å; N320-C347 VanDerWaalsContact N-O 3.13Å; N320-C347 PolarHBondContact OD1-N 3.03Å; N320-C347 PolarHBondContact OD1-O 2.98Å
321A98.2Very high95Very high1 Ų128.3 Ų28.31%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-140.2161.517300000112.7I47 L334 N335 I346 C347 I348I47-A321 HydrophobicContact CD1-CB 3.83Å; A321-L334 HydrophobicContact CB-CD1 4.26Å; A321-L334 HydrophobicContact CB-CG 4.33Å; A321-N335 CarbonylContact C-O 3.33Å; A321-N335 WeakPolarHBondContact CA-O 3.3Å; A321-N335 WeakPolarHBondContact CB-O 3.43Å; A321-I346 HydrophobicContact CB-CG2 3.62Å; A321-C347 PolarHBondContact N-O 2.75Å; A321-C347 VanDerWaalsContact N-O 3.13Å; A321-I348 HydrophobicContact CB-CG2 4.29Å
322E96.4Very high95.2Very high93 Ų9327 Ų2744%0.43515%0.15SC..EExtended strand (participates in β ladder)trans-136149.4173.665.4179.3-174.100111.6L334 N335 L337E322-L334 CarbonylContact O-C 3.53Å; E322-L334 WeakPolarHBondContact O-CA 3.43Å; E322-N335 HydrophobicContact CG-CB 4.46Å; E322-N335 PolarHBondContact N-O 2.86Å; E322-N335 PolarHBondContact O-N 3.04Å; E322-L337 HydrophobicContact CB-CD1 4.13Å; E322-L337 HydrophobicContact CB-CD2 4.24Å; E322-L337 HydrophobicContact CB-CG 4.2Å; E322-L337 VanDerWaalsContact CD-CD2 3.48Å; E322-L337 HydrophobicContact CG-CD2 3.78Å; E322-L337 HydrophobicContact CG-CG 4.13Å
323A95.4Very high95.3Very high31 Ų3127.7 Ų27.726%0.25615%0.153SC..EExtended strand (participates in β ladder)trans-95.6133.8171.200000109.9L332 H333A323-L332 HydrophobicContact CB-CD1 3.96Å; A323-L332 HydrophobicContact CB-CD2 4.23Å; A323-L332 HydrophobicContact CB-CG 4.08Å; A323-H333 CarbonylContact C-O 3.59Å; A323-H333 WeakPolarHBondContact CA-O 3.22Å
324S93.6Very high95.4Very high34 Ų3427.7 Ų27.724%0.23815%0.153CC..EExtended strand (participates in β ladder)trans-143.2165.3175.968.50000112.5P326 H333 N335S324-P326 VanDerWaalsContact C-CD 3.41Å; S324-P326 WeakPolarHBondContact O-CD 3.17Å; S324-H333 PolarHBondContact N-O 2.83Å; S324-H333 PolarHBondContact O-N 2.99Å; S324-N335 PolarHBondContact OG-ND2 2.79Å
325F94.5Very high95.6Very high30 Ų3027.5 Ų27.513%0.13215%0.152CC..  trans-125.559-175.7-60.3-81.5000111.9Q253 G254 I255 G256 Y307 D327 N328 N329 L331 L332Q253-F325 HydrophobicContact CG-CZ 4.01Å; G254-F325 WeakPolarHBondContact O-CE2 3.45Å; G254-F325 WeakPolarHBondContact O-CZ 3.35Å; I255-F325 HydrophobicContact CB-CE1 4.39Å; I255-F325 HydrophobicContact CB-CZ 4.32Å; I255-F325 HydrophobicContact CG1-CE1 4.02Å; I255-F325 HydrophobicContact CG1-CZ 3.95Å; I255-F325 HydrophobicContact CG2-CD1 4.03Å; I255-F325 HydrophobicContact CG2-CE1 4.07Å; I255-F325 HydrophobicContact CG2-CG 4.36Å; I255-F325 HydrophobicContact CG2-CZ 4.43Å; G256-F325 WeakPolarHBondContact O-CB 3.26Å; Y307-F325 WeakPolarHBondContact OH-CE1 3.37Å; F325-D327 PolarHBondContact O-N 3.34Å; F325-D327 VanDerWaalsContact O-N 3.1Å; F325-N328 PolarHBondContact O-N 3.37Å; F325-N328 VanDerWaalsContact O-N 3.11Å; F325-N329 WeakPolarHBondContact CD1-O 3.25Å; F325-L331 WeakPolarHBondContact CD1-O 3.49Å; F325-L332 HydrophobicContact CE1-CB 3.86Å; F325-L332 HydrophobicContact CE1-CD1 4.38Å; F325-L332 HydrophobicContact CE1-CG 4.33Å; F325-L332 HydrophobicContact CZ-CB 4.35Å; F325-L332 HydrophobicContact CZ-CD1 4.06Å; F325-L332 HydrophobicContact CZ-CG 4.35Å
326P91.6Very high95.7Very high65 Ų6526.9 Ų26.942%0.42215%0.15SC..THydrogen-bonded Turntrans-62.2-25.1-171.626.9-36.1000113.6Q262 S324 N328 H333Q262-P326 PolarHBondContact NE2-O 3.25Å; Q262-P326 VanDerWaalsContact NE2-O 3.14Å; S324-P326 VanDerWaalsContact C-CD 3.41Å; S324-P326 WeakPolarHBondContact O-CD 3.17Å; P326-N328 PolarHBondContact O-N 3.3Å; P326-H333 HydrophobicContact CG-CB 4.25Å
327D91.5Very high95.9Very high64 Ų6428.8 Ų28.834%0.34216%0.159SC..THydrogen-bonded Turntrans-83.22.9-178-65.2-45.1000114R74 F325 N329 H333R74-D327 PolarHBondContact NH2-O 3.15Å; R74-D327 VanDerWaalsContact NH2-O 3.15Å; F325-D327 PolarHBondContact O-N 3.34Å; F325-D327 VanDerWaalsContact O-N 3.1Å; D327-N329 VanDerWaalsContact C-N 3.26Å; D327-N329 WeakPolarHBondContact CB-OD1 3.37Å; D327-N329 PolarHBondContact O-N 3.34Å; D327-H333 IonicContact OD2-CD2 3.97Å; D327-H333 IonicContact OD2-CE1 3.09Å; D327-H333 IonicContact OD2-NE2 2.87Å; D327-H333 PolarHBondContact OD2-NE2 3.41Å
328N91.8Very high96Very high4 Ų431 Ų312%0.02117%0.174CC..SBendtrans4754.1-177.3-175.125.3000110.9R74 T257 S258 Q262 F325 P326R74-N328 VanDerWaalsContact CA-O 3.23Å; R74-N328 WeakPolarHBondContact CA-O 3.46Å; R74-N328 VanDerWaalsContact CB-O 3.29Å; R74-N328 WeakPolarHBondContact CB-O 3.47Å; R74-N328 WeakPolarHBondContact CG-O 3.2Å; R74-N328 PolarHBondContact NE-O 3.24Å; T257-N328 WeakPolarHBondContact CA-OD1 3.49Å; T257-N328 WeakPolarHBondContact CB-OD1 3.4Å; S258-N328 PolarHBondContact N-OD1 3.44Å; Q262-N328 HydrophobicContact CG-CB 3.66Å; Q262-N328 PolarHBondContact OE1-ND2 3.43Å; F325-N328 PolarHBondContact O-N 3.37Å; F325-N328 VanDerWaalsContact O-N 3.11Å; P326-N328 PolarHBondContact O-N 3.3Å
329N94.9Very high96.2Very high13 Ų1330.7 Ų30.77%0.0717%0.173CC..SBendtrans-156.7-178.7172.663.718.7000107.7C72 R74 F325 D327 L331C72-N329 HydrophobicContact CB-CB 4.26Å; C72-N329 CarbonylContact O-C 3.58Å; C72-N329 WeakPolarHBondContact O-CA 3.48Å; C72-N329 WeakPolarHBondContact O-CB 3.36Å; R74-N329 HydrophobicContact CB-CB 4.28Å; R74-N329 PolarHBondContact NH2-ND2 3.46Å; F325-N329 WeakPolarHBondContact CD1-O 3.25Å; D327-N329 VanDerWaalsContact C-N 3.26Å; D327-N329 WeakPolarHBondContact CB-OD1 3.37Å; D327-N329 PolarHBondContact O-N 3.34Å; N329-L331 PolarHBondContact O-N 3.25Å; N329-L331 VanDerWaalsContact OD1-CB 3.22Å; N329-L331 WeakPolarHBondContact OD1-CB 3.49Å; N329-L331 WeakPolarHBondContact OD1-CG 3.36Å; N329-L331 PolarHBondContact OD1-N 3.42Å
330F96.3Very high96.3Very high14 Ų1430.2 Ų30.26%0.06117%0.17CC..SBendtrans-67.29.717669.4-4.8000116.3R51 P52 Y71 C72 I255 Y307 L332R51-F330 HydrophobicContact CG-CD2 4.48Å; R51-F330 HydrophobicContact CG-CE1 4.05Å; R51-F330 HydrophobicContact CG-CE2 3.94Å; R51-F330 HydrophobicContact CG-CZ 3.69Å; P52-F330 WeakPolarHBondContact CD-O 3.38Å; P52-F330 HydrophobicContact CG-CB 3.94Å; P52-F330 HydrophobicContact CG-CD2 3.53Å; P52-F330 HydrophobicContact CG-CE2 4.3Å; P52-F330 HydrophobicContact CG-CG 3.95Å; Y71-F330 HydrophobicContact CD1-CE2 4.14Å; Y71-F330 HydrophobicContact CD1-CZ 4.01Å; Y71-F330 AromaticContact CE1-CE2 3.88Å; Y71-F330 HydrophobicContact CE1-CE2 3.88Å; Y71-F330 AromaticContact CE1-CZ 3.58Å; Y71-F330 HydrophobicContact CE1-CZ 3.58Å; Y71-F330 WeakPolarHBondContact O-CD2 3.25Å; C72-F330 HydrophobicContact CB-CD1 3.69Å; C72-F330 HydrophobicContact CB-CD2 4.11Å; C72-F330 HydrophobicContact CB-CE1 3.6Å; C72-F330 HydrophobicContact CB-CE2 3.99Å; C72-F330 HydrophobicContact CB-CG 3.98Å; C72-F330 HydrophobicContact CB-CZ 3.74Å; C72-F330 PolarHBondContact O-N 3.46Å; I255-F330 HydrophobicContact CD1-CB 4.04Å; Y307-F330 WeakPolarHBondContact CE1-O 3.06Å; Y307-F330 PolarHBondContact OH-O 3.11Å; F330-L332 PolarHBondContact O-N 3.38Å
331L97.1Very high96.3Very high36 Ų3633 Ų3319%0.18819%0.19CC..  trans-82.7112.4178-66.1-179.9000108.1I49 R51 F325 N329I49-L331 HydrophobicContact CG2-CB 4.31Å; R51-L331 HydrophobicContact CB-CD2 3.94Å; R51-L331 HydrophobicContact CG-CD2 4.4Å; F325-L331 WeakPolarHBondContact CD1-O 3.49Å; N329-L331 PolarHBondContact O-N 3.25Å; N329-L331 VanDerWaalsContact OD1-CB 3.22Å; N329-L331 WeakPolarHBondContact OD1-CB 3.49Å; N329-L331 WeakPolarHBondContact OD1-CG 3.36Å; N329-L331 PolarHBondContact OD1-N 3.42Å
332L97.6Very high96.3Very high0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-82124.1178.1-174.9147.8000109.2L48 I49 E50 Q253 Y307 Q310 A323 F325 F330 L334L48-L332 HydrophobicContact CD1-CD2 4.31Å; I49-L332 CarbonylContact C-O 3.59Å; I49-L332 VanDerWaalsContact CA-O 3.25Å; I49-L332 WeakPolarHBondContact CA-O 3.07Å; E50-L332 PolarHBondContact N-O 3.39Å; E50-L332 PolarHBondContact O-N 2.85Å; Q253-L332 HydrophobicContact CG-CD1 3.8Å; Y307-L332 HydrophobicContact CD1-CB 3.73Å; Y307-L332 HydrophobicContact CD1-CD1 4.06Å; Y307-L332 HydrophobicContact CD1-CG 4.49Å; Y307-L332 HydrophobicContact CD2-CD1 4.1Å; Y307-L332 HydrophobicContact CE1-CB 3.41Å; Y307-L332 VanDerWaalsContact CE1-CB 3.41Å; Y307-L332 HydrophobicContact CE1-CD1 4.18Å; Y307-L332 HydrophobicContact CE1-CG 4.45Å; Y307-L332 HydrophobicContact CE2-CD1 4.22Å; Y307-L332 HydrophobicContact CG-CD1 4.02Å; Q310-L332 HydrophobicContact CB-CD1 3.96Å; Q310-L332 HydrophobicContact CB-CD2 3.99Å; Q310-L332 HydrophobicContact CG-CD1 3.66Å; Q310-L332 HydrophobicContact CG-CD2 4.05Å; A323-L332 HydrophobicContact CB-CD1 3.96Å; A323-L332 HydrophobicContact CB-CD2 4.23Å; A323-L332 HydrophobicContact CB-CG 4.08Å; F325-L332 HydrophobicContact CE1-CB 3.86Å; F325-L332 HydrophobicContact CE1-CD1 4.38Å; F325-L332 HydrophobicContact CE1-CG 4.33Å; F325-L332 HydrophobicContact CZ-CB 4.35Å; F325-L332 HydrophobicContact CZ-CD1 4.06Å; F325-L332 HydrophobicContact CZ-CG 4.35Å; F330-L332 PolarHBondContact O-N 3.38Å; L332-L334 HydrophobicContact CD2-CB 4.14Å
333H97.8Very high96.4Very high21 Ų2133.7 Ų33.710%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-102.3120.6169.1-71.4-127.4000108.3A323 S324 P326 D327A323-H333 CarbonylContact C-O 3.59Å; A323-H333 WeakPolarHBondContact CA-O 3.22Å; S324-H333 PolarHBondContact N-O 2.83Å; S324-H333 PolarHBondContact O-N 2.99Å; P326-H333 HydrophobicContact CG-CB 4.25Å; D327-H333 IonicContact OD2-CD2 3.97Å; D327-H333 IonicContact OD2-CE1 3.09Å; D327-H333 IonicContact OD2-NE2 2.87Å; D327-H333 PolarHBondContact OD2-NE2 3.41Å
334L98.3Very high96.5Very high0 Ų035.5 Ų35.50%022%0.221CC..EExtended strand (participates in β ladder)trans-97.2112.7172.7-168.871.8000108.1L35 I47 L48 A321 E322 L332 I346 I348L35-L334 HydrophobicContact CD2-CD2 3.99Å; I47-L334 HydrophobicContact CB-CB 4.41Å; I47-L334 HydrophobicContact CB-CD2 4.32Å; I47-L334 HydrophobicContact CB-CG 4.44Å; I47-L334 WeakPolarHBondContact CB-O 3.34Å; I47-L334 HydrophobicContact CD1-CD2 4.26Å; I47-L334 HydrophobicContact CD1-CG 4.21Å; I47-L334 HydrophobicContact CG2-CD2 4.24Å; I47-L334 PolarHBondContact N-O 2.9Å; L48-L334 HydrophobicContact CD1-CB 3.85Å; L48-L334 HydrophobicContact CD1-CD2 4.49Å; L48-L334 HydrophobicContact CD2-CD2 4.07Å; L48-L334 HydrophobicContact CG-CB 3.85Å; L48-L334 HydrophobicContact CG-CD2 4.05Å; L48-L334 PolarHBondContact O-N 2.96Å; A321-L334 HydrophobicContact CB-CD1 4.26Å; A321-L334 HydrophobicContact CB-CG 4.33Å; E322-L334 CarbonylContact O-C 3.53Å; E322-L334 WeakPolarHBondContact O-CA 3.43Å; L332-L334 HydrophobicContact CD2-CB 4.14Å; L334-I346 HydrophobicContact CD2-CG2 4.15Å; L334-I348 HydrophobicContact CD1-CG2 3.75Å
335N98.3Very high96.7Very high24 Ų2435.6 Ų35.613%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-114.1142.5-174.6-59.4-55.3000111.2T46 A321 E322 S324T46-N335 WeakPolarHBondContact CA-OD1 3.33Å; T46-N335 WeakPolarHBondContact CB-OD1 3.37Å; T46-N335 PolarHBondContact OG1-OD1 3.24Å; A321-N335 CarbonylContact C-O 3.33Å; A321-N335 WeakPolarHBondContact CA-O 3.3Å; A321-N335 WeakPolarHBondContact CB-O 3.43Å; E322-N335 HydrophobicContact CG-CB 4.46Å; E322-N335 PolarHBondContact N-O 2.86Å; E322-N335 PolarHBondContact O-N 3.04Å; S324-N335 PolarHBondContact OG-ND2 2.79Å
336A98.4Very high96.9Very high4 Ų434.2 Ų34.23%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-76.7126.2177.800000111.6I41 K42 G44 E45 I47 N320 I340I41-A336 HydrophobicContact CG2-CB 3.89Å; K42-A336 WeakPolarHBondContact O-CB 3.33Å; G44-A336 PolarHBondContact N-O 2.86Å; E45-A336 PolarHBondContact O-N 3.1Å; I47-A336 HydrophobicContact CD1-CB 4.22Å; I47-A336 HydrophobicContact CG1-CB 4.34Å; N320-A336 CarbonylContact O-C 3.41Å; A336-I340 HydrophobicContact CB-CD1 3.9Å
337L97.9Very high97.2Very high54 Ų5431.9 Ų31.928%0.28320%0.196SC..SBendtrans-84.7-22.5175.8-68.9178000112.9K43 P319 N320 E322K43-L337 WeakPolarHBondContact CD-O 3.42Å; K43-L337 VanDerWaalsContact CE-O 3.29Å; K43-L337 WeakPolarHBondContact CE-O 3.24Å; K43-L337 WeakPolarHBondContact CG-O 3.3Å; P319-L337 HydrophobicContact CG-CD1 4.02Å; N320-L337 PolarHBondContact O-N 3.2Å; E322-L337 HydrophobicContact CB-CD1 4.13Å; E322-L337 HydrophobicContact CB-CD2 4.24Å; E322-L337 HydrophobicContact CB-CG 4.2Å; E322-L337 VanDerWaalsContact CD-CD2 3.48Å; E322-L337 HydrophobicContact CG-CD2 3.78Å; E322-L337 HydrophobicContact CG-CG 4.13Å
338S97.9Very high97.5Very high47 Ų4729.1 Ų29.133%0.32918%0.182SC..SBendtrans-140172.7176.760.30000110.4N320 I340N320-S338 WeakPolarHBondContact CB-OG 3.28Å; S338-I340 PolarHBondContact O-N 2.89Å
339D98.4Very high97.6Very high84 Ų8430.4 Ų30.445%0.44919%0.191SC..  trans-63.8134.6165.7-81.114.1000108.9I41 K42 K43I41-D339 WeakPolarHBondContact O-CA 3.4Å; K42-D339 WeakPolarHBondContact CD-OD1 3.34Å; K42-D339 WeakPolarHBondContact CD-OD2 3.37Å; K42-D339 IonicContact NZ-OD2 2.72Å; K42-D339 PolarHBondContact NZ-OD2 3.41Å; K43-D339 PolarHBondContact N-OD1 3.3Å
340I98.6Very high97.4Very high2 Ų232.3 Ų32.31%0.0120%0.197CC..BIsolated β-bridgetrans-119.4127.6179.6-58.3166.7000107.6A37 S40 I41 I47 N320 A336 S338 E344 I346A37-I340 HydrophobicContact CB-CG2 3.79Å; S40-I340 CarbonylContact C-O 3.57Å; S40-I340 VanDerWaalsContact CA-O 3.28Å; S40-I340 WeakPolarHBondContact CA-O 3.47Å; I41-I340 HydrophobicContact CB-CB 4.23Å; I41-I340 PolarHBondContact N-O 3.07Å; I41-I340 PolarHBondContact O-N 3.25Å; I47-I340 HydrophobicContact CD1-CD1 4Å; N320-I340 HydrophobicContact CB-CD1 4.33Å; N320-I340 HydrophobicContact CB-CG1 4.08Å; A336-I340 HydrophobicContact CB-CD1 3.9Å; S338-I340 PolarHBondContact O-N 2.89Å; I340-E344 HydrophobicContact CG2-CB 3.84Å; I340-E344 HydrophobicContact CG2-CG 4.2Å; I340-I346 HydrophobicContact CD1-CG1 4.45Å; I340-I346 HydrophobicContact CG2-CG1 4.44Å
341S98.5Very high97Very high71 Ų7132 Ų3250%0.49720%0.197SC..  trans-80.8155.8-179.4-61.60000111.9G343 E344S341-G343 PolarHBondContact O-N 2.85Å; S341-E344 PolarHBondContact N-OE2 3.24Å; S341-E344 WeakPolarHBondContact O-CB 3.39Å; S341-E344 PolarHBondContact O-N 3.12Å
342A98.3Very high96.2Very high58 Ų5834.9 Ų34.948%0.47921%0.212SC..THydrogen-bonded Turntrans-61.2132.5169.900000110E344A342-E344 VanDerWaalsContact C-N 3.31Å
343G98Very high95Very high52 Ų5242.8 Ų42.854%0.53625%0.247SC..THydrogen-bonded Turntrans84-3.2-17400000114.7A37 S341A37-G343 PolarHBondContact O-N 3.37Å; S341-G343 PolarHBondContact O-N 2.85Å
344E98Very high94Very high69 Ų6945.4 Ų45.432%0.32227%0.267SS..  trans-78.6141.7176.8-167.5-179.4153.800111.1F36 A37 N320 I340 S341 A342F36-E344 WeakPolarHBondContact CA-O 3.13Å; A37-E344 PolarHBondContact N-O 2.88Å; N320-E344 PolarHBondContact ND2-OE1 3.1Å; I340-E344 HydrophobicContact CG2-CB 3.84Å; I340-E344 HydrophobicContact CG2-CG 4.2Å; S341-E344 PolarHBondContact N-OE2 3.24Å; S341-E344 WeakPolarHBondContact O-CB 3.39Å; S341-E344 PolarHBondContact O-N 3.12Å; A342-E344 VanDerWaalsContact C-N 3.31Å
345E98Very high93.2Very high36 Ų3647.2 Ų47.217%0.16828%0.275CS..BIsolated β-bridgetrans-71.2134.7174.5-167.7177.5-173.800110I27 F36 N314 N320I27-E345 VanDerWaalsContact CD1-OE1 3.3Å; I27-E345 WeakPolarHBondContact CD1-OE1 3.26Å; F36-E345 HydrophobicContact CD1-CB 4.02Å; F36-E345 HydrophobicContact CE1-CB 3.62Å; F36-E345 HydrophobicContact CE1-CG 4.03Å; F36-E345 HydrophobicContact CE2-CG 4.35Å; F36-E345 HydrophobicContact CZ-CB 4.04Å; F36-E345 HydrophobicContact CZ-CG 3.93Å; N314-E345 WeakPolarHBondContact CB-OE1 3.49Å; N314-E345 PolarHBondContact ND2-OE1 2.9Å; N320-E345 PolarHBondContact ND2-O 3.24Å
346I98.5Very high92.5Very high0 Ų048.9 Ų48.90%028%0.279CS..  trans-92.3110.2176-59.3170000107.4V22 L35 A37 I41 I47 A321 L334 I340V22-I346 HydrophobicContact CB-CD1 4.49Å; V22-I346 HydrophobicContact CG1-CD1 3.53Å; L35-I346 HydrophobicContact CB-CB 4.43Å; L35-I346 HydrophobicContact CD2-CB 4.4Å; L35-I346 HydrophobicContact CD2-CD1 4.1Å; L35-I346 HydrophobicContact CD2-CG2 4.49Å; L35-I346 HydrophobicContact CG-CD1 4.23Å; L35-I346 PolarHBondContact O-N 2.7Å; A37-I346 HydrophobicContact CB-CD1 4.25Å; A37-I346 HydrophobicContact CB-CG1 4.43Å; I41-I346 HydrophobicContact CD1-CD1 4.41Å; I47-I346 HydrophobicContact CD1-CD1 4.36Å; I47-I346 HydrophobicContact CD1-CG2 3.98Å; I47-I346 HydrophobicContact CG2-CD1 4.01Å; A321-I346 HydrophobicContact CB-CG2 3.62Å; L334-I346 HydrophobicContact CD2-CG2 4.15Å; I340-I346 HydrophobicContact CD1-CG1 4.45Å; I340-I346 HydrophobicContact CG2-CG1 4.44Å
347C97.8Very high91.8Very high16 Ų1654 Ų5411%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-115138.4-177.2-62.50000111N314 P319 N320 A321N314-C347 CarbonylContact O-C 3.33Å; N314-C347 WeakPolarHBondContact O-CA 3.45Å; N314-C347 WeakPolarHBondContact O-CB 3.48Å; P319-C347 WeakPolarHBondContact CA-O 3.46Å; P319-C347 WeakPolarHBondContact CB-O 3.35Å; N320-C347 PolarHBondContact N-O 3.32Å; N320-C347 VanDerWaalsContact N-O 3.13Å; N320-C347 PolarHBondContact OD1-N 3.03Å; N320-C347 PolarHBondContact OD1-O 2.98Å; A321-C347 PolarHBondContact N-O 2.75Å; A321-C347 VanDerWaalsContact N-O 3.13Å
348I96.7Very high91.3Very high6 Ų656.2 Ų56.23%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-110.3171.5173.464.1173.9000110.4Q310 C313 N314 H315 S316 A321 L334 Y350Q310-I348 HydrophobicContact CG-CD1 4.48Å; C313-I348 HydrophobicContact CB-CD1 4.06Å; C313-I348 HydrophobicContact CB-CG1 3.92Å; C313-I348 HydrophobicContact CB-CG2 4.05Å; N314-I348 PolarHBondContact O-N 3.04Å; H315-I348 CarbonylContact C-O 3.57Å; H315-I348 VanDerWaalsContact CA-O 3.28Å; H315-I348 WeakPolarHBondContact CA-O 3.34Å; S316-I348 PolarHBondContact N-O 3.31Å; A321-I348 HydrophobicContact CB-CG2 4.29Å; L334-I348 HydrophobicContact CD1-CG2 3.75Å; I348-Y350 HydrophobicContact CD1-CD1 4.21Å; I348-Y350 HydrophobicContact CD1-CE1 3.88Å; I348-Y350 HydrophobicContact CG1-CD1 3.97Å; I348-Y350 HydrophobicContact CG1-CE1 3.67Å
349S93.8Very high90.8Very high31 Ų3155.5 Ų55.522%0.21731%0.306CS..  trans-91.9139.9168.2-175.60000110L351 R356S349-L351 PolarHBondContact OG-N 3.01Å; S349-L351 PolarHBondContact OG-O 3.23Å; S349-R356 VanDerWaalsContact OG-CD 3.31Å; S349-R356 WeakPolarHBondContact OG-CD 3.41Å; S349-R356 WeakPolarHBondContact OG-CG 3.31Å
350Y91.3Very high90.4Very high53 Ų5354.3 Ų54.321%0.20830%0.295CS..SBendtrans-101.3-1.1170.3-65.7-2.6000111C313 H315 I348 Y371 F373C313-Y350 WeakPolarHBondContact O-CE1 3.37Å; C313-Y350 PolarHBondContact O-OH 3.35Å; H315-Y350 HydrophobicContact CB-CD1 4.26Å; H315-Y350 HydrophobicContact CB-CD2 3.74Å; H315-Y350 HydrophobicContact CB-CE1 4.37Å; H315-Y350 HydrophobicContact CB-CE2 3.88Å; H315-Y350 HydrophobicContact CB-CG 3.92Å; H315-Y350 AromaticContact ND1-CG 3.85Å; H315-Y350 PolarHBondContact ND1-N 2.85Å; I348-Y350 HydrophobicContact CD1-CD1 4.21Å; I348-Y350 HydrophobicContact CD1-CE1 3.88Å; I348-Y350 HydrophobicContact CG1-CD1 3.97Å; I348-Y350 HydrophobicContact CG1-CE1 3.67Å; Y350-Y371 AromaticContact CD2-CD1 3.58Å; Y350-Y371 HydrophobicContact CD2-CD1 3.58Å; Y350-Y371 HydrophobicContact CD2-CD2 4.1Å; Y350-Y371 AromaticContact CD2-CE1 3.76Å; Y350-Y371 HydrophobicContact CD2-CE1 3.76Å; Y350-Y371 HydrophobicContact CD2-CE2 4.26Å; Y350-Y371 AromaticContact CD2-CG 3.76Å; Y350-Y371 HydrophobicContact CD2-CG 3.76Å; Y350-Y371 HydrophobicContact CE2-CD1 4.03Å; Y350-Y371 HydrophobicContact CE2-CE1 4.4Å; Y350-Y371 HydrophobicContact CE2-CG 4.42Å; Y350-Y371 HydrophobicContact CG-CD1 4.38Å; Y350-Y371 HydrophobicContact CG-CE1 4.11Å; Y350-Y371 HydrophobicContact CG-CE2 4.4Å; Y350-Y371 PolarHBondContact O-OH 3.49Å; Y350-F373 HydrophobicContact CD2-CE1 4.03Å; Y350-F373 HydrophobicContact CD2-CZ 4.4Å; Y350-F373 HydrophobicContact CE2-CE1 4.19Å
351L86.9Confident89.9Confident9 Ų957.2 Ų57.25%0.04731%0.308CS..SBendtrans-104.1144.2177.8-61.6175.4000108.7S349 Q355 R356 R363 I366 L367S349-L351 PolarHBondContact OG-N 3.01Å; S349-L351 PolarHBondContact OG-O 3.23Å; L351-Q355 HydrophobicContact CB-CB 3.99Å; L351-Q355 HydrophobicContact CD2-CB 4.47Å; L351-R356 HydrophobicContact CB-CG 3.9Å; L351-R363 HydrophobicContact CD1-CB 3.82Å; L351-R363 HydrophobicContact CD1-CG 3.73Å; L351-I366 HydrophobicContact CD2-CB 3.92Å; L351-I366 HydrophobicContact CD2-CD1 4.4Å; L351-I366 HydrophobicContact CD2-CG2 3.48Å; L351-I366 VanDerWaalsContact CD2-CG2 3.48Å; L351-L367 HydrophobicContact CD1-CD1 4.4Å; L351-L367 HydrophobicContact CD1-CG 4.45Å; L351-L367 HydrophobicContact CD2-CD2 3.89Å; L351-L367 HydrophobicContact CD2-CG 4.02Å; L351-L367 HydrophobicContact CG-CD2 4.04Å; L351-L367 HydrophobicContact CG-CG 4.33Å
352D80.2Confident89.4Confident96 Ų9654.1 Ų54.151%0.51329%0.287SS..  trans-63.5160.2172.2-62.3-45.6000111.2C354 Q355 R356D352-C354 VanDerWaalsContact C-N 3.31Å; D352-C354 PolarHBondContact O-N 3.1Å; D352-Q355 HydrophobicContact CB-CG 4.18Å; D352-Q355 WeakPolarHBondContact O-CB 3.4Å; D352-Q355 PolarHBondContact O-N 3.06Å; D352-Q355 PolarHBondContact OD2-NE2 3Å; D352-R356 WeakPolarHBondContact O-CG 3.48Å; D352-R356 PolarHBondContact O-N 3.02Å
353F73.8Confident89.1Confident166 Ų16651.4 Ų51.473%0.72826%0.264SS*.Hα-helixtrans-52.7-48.2-175.9180-96.9000112.2Q355 R356F353-Q355 VanDerWaalsContact C-N 3.34Å; F353-Q355 PolarHBondContact O-N 3.33Å; F353-R356 PolarHBondContact O-N 3.2Å
354C76.4Confident88.6Confident76 Ų7649.1 Ų49.151%0.51424%0.24SC..Hα-helixtrans-65.5-34.8178.459.90000113D352 R356D352-C354 VanDerWaalsContact C-N 3.31Å; D352-C354 PolarHBondContact O-N 3.1Å; C354-R356 VanDerWaalsContact C-N 3.34Å; C354-R356 PolarHBondContact O-N 2.95Å
355Q81.8Confident88Confident37 Ų3749.6 Ų49.617%0.17324%0.241CC..Hα-helixtrans-71-30.3-179.9-66.5165.66.900112.2L351 D352 F353 D357 R358 R363 I366L351-Q355 HydrophobicContact CB-CB 3.99Å; L351-Q355 HydrophobicContact CD2-CB 4.47Å; D352-Q355 HydrophobicContact CB-CG 4.18Å; D352-Q355 WeakPolarHBondContact O-CB 3.4Å; D352-Q355 PolarHBondContact O-N 3.06Å; D352-Q355 PolarHBondContact OD2-NE2 3Å; F353-Q355 VanDerWaalsContact C-N 3.34Å; F353-Q355 PolarHBondContact O-N 3.33Å; Q355-D357 PolarHBondContact O-N 2.91Å; Q355-R358 WeakPolarHBondContact O-CB 3.47Å; Q355-R358 PolarHBondContact O-N 3.44Å; Q355-R363 VanDerWaalsContact O-CG 3.32Å; Q355-R363 WeakPolarHBondContact O-CG 3.28Å; Q355-I366 HydrophobicContact CB-CD1 4.25Å; Q355-I366 HydrophobicContact CG-CD1 3.96Å
356R83.4Confident87.4Confident59 Ų5949.4 Ų49.422%0.22324%0.241CC..Hα-helixtrans-62.7-28.1-179.4-74.1179.862.3-166.8-19.9113.5C317 S349 L351 D352 F353 C354 R363 K379C317-R356 PolarHBondContact O-NE 3.23Å; C317-R356 PolarHBondContact O-NH2 2.88Å; S349-R356 VanDerWaalsContact OG-CD 3.31Å; S349-R356 WeakPolarHBondContact OG-CD 3.41Å; S349-R356 WeakPolarHBondContact OG-CG 3.31Å; L351-R356 HydrophobicContact CB-CG 3.9Å; D352-R356 WeakPolarHBondContact O-CG 3.48Å; D352-R356 PolarHBondContact O-N 3.02Å; F353-R356 PolarHBondContact O-N 3.2Å; C354-R356 VanDerWaalsContact C-N 3.34Å; C354-R356 PolarHBondContact O-N 2.95Å; R356-R363 WeakPolarHBondContact O-CD 3.46Å; R356-K379 PolarHBondContact O-NZ 2.87Å
357D84.5Confident86.8Confident112 Ų11249.4 Ų49.460%0.59924%0.241SC*.THydrogen-bonded Turntrans-95.6-4.4-178.5-68.6-31.6000113.8Q355 K379Q355-D357 PolarHBondContact O-N 2.91Å; D357-K379 IonicContact OD1-NZ 2.65Å; D357-K379 PolarHBondContact OD1-NZ 3.42Å
358R86.3Confident86.1Confident101 Ų10153.4 Ų53.438%0.38125%0.254SS..SBendtrans-65.6170.8170.5-64.1-169.4179.4-157.74.3112.5Q355 R363 E394Q355-R358 WeakPolarHBondContact O-CB 3.47Å; Q355-R358 PolarHBondContact O-N 3.44Å; R358-R363 PolarHBondContact O-NH1 2.86Å; R358-E394 IonicContact CZ-OE1 3.38Å; R358-E394 IonicContact NH1-OE1 3.33Å; R358-E394 PolarHBondContact NH1-OE1 3.31Å; R358-E394 VanDerWaalsContact NH1-OE1 3.09Å
359S88.3Confident85.1Confident32 Ų3256 Ų5622%0.22427%0.265CS..  trans-57158.617979.20000112.5H361 S362 R363S359-H361 PolarHBondContact O-N 3.32Å; S359-H361 PolarHBondContact OG-N 3.3Å; S359-S362 PolarHBondContact O-N 3.13Å; S359-S362 PolarHBondContact OG-N 2.91Å; S359-S362 VanDerWaalsContact OG-N 3.14Å; S359-S362 PolarHBondContact OG-OG 3.03Å; S359-R363 WeakPolarHBondContact O-CG 3.1Å; S359-R363 PolarHBondContact O-N 3.09Å; S359-R363 VanDerWaalsContact O-N 3.11Å
360R89.6Confident84.1Confident58 Ų5857.2 Ų57.222%0.21927%0.27CS..Hα-helixtrans-55.9-40.5174.3179.9-179.1178.2-90.81.1111.4H364 C380 Q383R360-H364 VanDerWaalsContact CZ-CE1 3.5Å; R360-H364 WeakPolarHBondContact O-CB 3.44Å; R360-H364 PolarHBondContact O-CD2 3.19Å; R360-H364 VanDerWaalsContact O-CG 3.29Å; R360-H364 PolarHBondContact O-N 2.86Å; R360-C380 WeakPolarHBondContact CD-O 3.42Å; R360-C380 PolarHBondContact NE-O 3.47Å; R360-Q383 HydrophobicContact CB-CB 4.1Å; R360-Q383 VanDerWaalsContact CD-O 3.3Å; R360-Q383 WeakPolarHBondContact CD-O 3.47Å
361H87.9Confident83.4Confident63 Ų6358.3 Ų58.329%0.29227%0.274SS..Hα-helixtrans-58.2-56.5177.5-173.889.3000111.7S359 R363 H364 K365 D388S359-H361 PolarHBondContact O-N 3.32Å; S359-H361 PolarHBondContact OG-N 3.3Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.03Å; H361-H364 PolarHBondContact O-N 2.98Å; H361-H364 VanDerWaalsContact O-N 3.08Å; H361-K365 PolarHBondContact O-N 3.36Å; H361-D388 HydrophobicContact CB-CB 4.04Å; H361-D388 IonicContact CE1-OD2 3.52Å; H361-D388 IonicContact CG-OD2 2.84Å; H361-D388 VanDerWaalsContact ND1-CG 3.34Å; H361-D388 IonicContact ND1-OD1 2.66Å; H361-D388 IonicContact ND1-OD2 3.68Å; H361-D388 PolarHBondContact ND1-OD2 3.26Å
362S87.3Confident83Confident7 Ų758.3 Ų58.35%0.04927%0.274CS..Hα-helixtrans-61.5-42-176.6-48.30000111.5S359 H364 K365 I366 E394S359-S362 PolarHBondContact O-N 3.13Å; S359-S362 PolarHBondContact OG-N 2.91Å; S359-S362 VanDerWaalsContact OG-N 3.14Å; S359-S362 PolarHBondContact OG-OG 3.03Å; S362-H364 PolarHBondContact O-N 3.28Å; S362-K365 PolarHBondContact O-N 3.45Å; S362-I366 WeakPolarHBondContact O-CG1 3.37Å; S362-I366 PolarHBondContact O-N 2.87Å; S362-I366 VanDerWaalsContact O-N 3.1Å; S362-E394 VanDerWaalsContact CB-OE1 3.29Å; S362-E394 WeakPolarHBondContact CB-OE1 3.44Å; S362-E394 PolarHBondContact OG-OE1 3.42Å; S362-E394 PolarHBondContact OG-OE2 3.09Å
363R92.2Very high83.1Confident0 Ų055.9 Ų55.90%026%0.259CS..Hα-helixtrans-60.8-43.5174.5-64.9-168.3-40.1-96.8-0.7112C317 L351 Q355 R356 R358 S359 H361 L367 C380 Q383C317-R363 PolarHBondContact SG-NE 3.38Å; C317-R363 VanDerWaalsContact SG-NE 3.4Å; L351-R363 HydrophobicContact CD1-CB 3.82Å; L351-R363 HydrophobicContact CD1-CG 3.73Å; Q355-R363 VanDerWaalsContact O-CG 3.32Å; Q355-R363 WeakPolarHBondContact O-CG 3.28Å; R356-R363 WeakPolarHBondContact O-CD 3.46Å; R358-R363 PolarHBondContact O-NH1 2.86Å; S359-R363 WeakPolarHBondContact O-CG 3.1Å; S359-R363 PolarHBondContact O-N 3.09Å; S359-R363 VanDerWaalsContact O-N 3.11Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.03Å; R363-L367 WeakPolarHBondContact O-CB 3.38Å; R363-L367 VanDerWaalsContact O-CG 3.23Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 3.14Å; R363-C380 PolarHBondContact NH2-SG 3.08Å; R363-C380 VanDerWaalsContact NH2-SG 3.36Å; R363-Q383 VanDerWaalsContact CZ-OE1 3.32Å
364H88.4Confident83.6Confident4 Ų450.1 Ų50.12%0.01924%0.237CC..Hα-helixtrans-67-38.9177.8-76-171.2000112.7R360 H361 S362 L367 R368 C375 C380R360-H364 VanDerWaalsContact CZ-CE1 3.5Å; R360-H364 WeakPolarHBondContact O-CB 3.44Å; R360-H364 PolarHBondContact O-CD2 3.19Å; R360-H364 VanDerWaalsContact O-CG 3.29Å; R360-H364 PolarHBondContact O-N 2.86Å; H361-H364 PolarHBondContact O-N 2.98Å; H361-H364 VanDerWaalsContact O-N 3.08Å; S362-H364 PolarHBondContact O-N 3.28Å; H364-L367 PolarHBondContact O-N 3.32Å; H364-R368 VanDerWaalsContact O-CB 3.3Å; H364-R368 WeakPolarHBondContact O-CB 3.3Å; H364-R368 WeakPolarHBondContact O-CG 3.32Å; H364-R368 PolarHBondContact O-N 3.42Å; H364-C375 PolarHBondContact NE2-O 3.47Å; H364-C375 VanDerWaalsContact NE2-O 3.14Å; H364-C380 PolarHBondContact NE2-SG 3.33Å
365K85.4Confident84.3Confident79 Ų7946.8 Ų46.834%0.34322%0.215SC..Hα-helixtrans-56.4-53.4175-175.4177.2177.8-178.70110.3H361 S362 L367 R368 E369 E398H361-K365 PolarHBondContact O-N 3.36Å; S362-K365 PolarHBondContact O-N 3.45Å; K365-L367 PolarHBondContact O-N 2.75Å; K365-R368 PolarHBondContact O-N 3.02Å; K365-E369 WeakPolarHBondContact CE-OE1 3.21Å; K365-E369 WeakPolarHBondContact CG-OE1 3.38Å; K365-E369 WeakPolarHBondContact O-CG 3.2Å; K365-E369 PolarHBondContact O-N 2.76Å; K365-E398 IonicContact NZ-OE1 3.84Å; K365-E398 PolarHBondContact NZ-OE1 3.03Å
366I84.4Confident84.8Confident32 Ų3249 Ų4916%0.16423%0.234CC..Hα-helixtrans-60-46.7179.1-62.4164.3000111.7L351 Q355 S362 E369 N370L351-I366 HydrophobicContact CD2-CB 3.92Å; L351-I366 HydrophobicContact CD2-CD1 4.4Å; L351-I366 HydrophobicContact CD2-CG2 3.48Å; L351-I366 VanDerWaalsContact CD2-CG2 3.48Å; Q355-I366 HydrophobicContact CB-CD1 4.25Å; Q355-I366 HydrophobicContact CG-CD1 3.96Å; S362-I366 WeakPolarHBondContact O-CG1 3.37Å; S362-I366 PolarHBondContact O-N 2.87Å; S362-I366 VanDerWaalsContact O-N 3.1Å; I366-E369 PolarHBondContact O-N 3.3Å; I366-N370 WeakPolarHBondContact O-CB 3.35Å; I366-N370 PolarHBondContact O-N 2.95Å; I366-N370 VanDerWaalsContact O-N 3.13Å; I366-N370 PolarHBondContact O-ND2 3.32Å
367L86.6Confident85.2Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-67.4-37.2-178.4-69.2172.3000112.8L351 R363 H364 K365 Y371 L372 F373 C375L351-L367 HydrophobicContact CD1-CD1 4.4Å; L351-L367 HydrophobicContact CD1-CG 4.45Å; L351-L367 HydrophobicContact CD2-CD2 3.89Å; L351-L367 HydrophobicContact CD2-CG 4.02Å; L351-L367 HydrophobicContact CG-CD2 4.04Å; L351-L367 HydrophobicContact CG-CG 4.33Å; R363-L367 WeakPolarHBondContact O-CB 3.38Å; R363-L367 VanDerWaalsContact O-CG 3.23Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 3.14Å; H364-L367 PolarHBondContact O-N 3.32Å; K365-L367 PolarHBondContact O-N 2.75Å; L367-Y371 HydrophobicContact CD2-CD2 3.92Å; L367-Y371 HydrophobicContact CD2-CE2 4.41Å; L367-Y371 CarbonylContact O-C 3.48Å; L367-Y371 WeakPolarHBondContact O-CA 3.49Å; L367-Y371 WeakPolarHBondContact O-CB 3.18Å; L367-Y371 PolarHBondContact O-N 2.73Å; L367-L372 PolarHBondContact O-N 2.73Å; L367-L372 VanDerWaalsContact O-N 3.14Å; L367-F373 HydrophobicContact CB-CE1 4.32Å; L367-F373 HydrophobicContact CB-CZ 4.19Å; L367-F373 HydrophobicContact CD1-CE2 4.22Å; L367-F373 HydrophobicContact CD1-CZ 3.94Å; L367-F373 HydrophobicContact CD2-CE1 4.04Å; L367-F373 HydrophobicContact CD2-CZ 3.76Å; L367-F373 HydrophobicContact CG-CZ 4.17Å; L367-C375 HydrophobicContact CD1-CB 3.69Å
368R82.4Confident85.6Confident101 Ų10145.7 Ų45.738%0.38123%0.228SC..Hα-helixtrans-65.2-50.7175.1-75.6176.4179.1143-0.7110.6I203 H364 K365 N370 L372 V374I203-R368 HydrophobicContact CD1-CB 4.14Å; I203-R368 HydrophobicContact CD1-CG 3.89Å; I203-R368 VanDerWaalsContact CG2-O 3.29Å; I203-R368 WeakPolarHBondContact CG2-O 3.38Å; H364-R368 VanDerWaalsContact O-CB 3.3Å; H364-R368 WeakPolarHBondContact O-CB 3.3Å; H364-R368 WeakPolarHBondContact O-CG 3.32Å; H364-R368 PolarHBondContact O-N 3.42Å; K365-R368 PolarHBondContact O-N 3.02Å; R368-N370 VanDerWaalsContact C-N 3.33Å; R368-N370 PolarHBondContact O-N 3.16Å; R368-L372 WeakPolarHBondContact O-CA 3.36Å; R368-L372 PolarHBondContact O-N 2.76Å; R368-L372 VanDerWaalsContact O-N 3.14Å; R368-V374 HydrophobicContact CG-CG2 4.23Å
369E76.1Confident85.9Confident60 Ų6042.5 Ų42.528%0.2822%0.217SC..Hα-helixtrans-62.1-37.8-176.1-74.2179.9-15800113.5K206 K365 I366K206-E369 HydrophobicContact CD-CB 4.45Å; K206-E369 PolarHBondContact N-O 2.95Å; K206-E369 IonicContact NZ-OE2 3.12Å; K206-E369 PolarHBondContact NZ-OE2 3.27Å; K365-E369 WeakPolarHBondContact CE-OE1 3.21Å; K365-E369 WeakPolarHBondContact CG-OE1 3.38Å; K365-E369 WeakPolarHBondContact O-CG 3.2Å; K365-E369 PolarHBondContact O-N 2.76Å; I366-E369 PolarHBondContact O-N 3.3Å
370N74.1Confident86Confident57 Ų5741.1 Ų41.131%0.30521%0.207SC..Hα-helixtrans-101.7-31.5-172-62.4-47.5000114H205 I366 R368H205-N370 PolarHBondContact CD2-O 3.09Å; H205-N370 PolarHBondContact NE2-O 2.88Å; I366-N370 WeakPolarHBondContact O-CB 3.35Å; I366-N370 PolarHBondContact O-N 2.95Å; I366-N370 VanDerWaalsContact O-N 3.13Å; I366-N370 PolarHBondContact O-ND2 3.32Å; R368-N370 VanDerWaalsContact C-N 3.33Å; R368-N370 PolarHBondContact O-N 3.16Å
371Y75.6Confident86.1Confident75 Ų7541.9 Ų41.929%0.29422%0.219SC..Hα-helixtrans-125.5-1-170.5-57.9-82.4000114.1Y350 L367 F373Y350-Y371 AromaticContact CD2-CD1 3.58Å; Y350-Y371 HydrophobicContact CD2-CD1 3.58Å; Y350-Y371 HydrophobicContact CD2-CD2 4.1Å; Y350-Y371 AromaticContact CD2-CE1 3.76Å; Y350-Y371 HydrophobicContact CD2-CE1 3.76Å; Y350-Y371 HydrophobicContact CD2-CE2 4.26Å; Y350-Y371 AromaticContact CD2-CG 3.76Å; Y350-Y371 HydrophobicContact CD2-CG 3.76Å; Y350-Y371 HydrophobicContact CE2-CD1 4.03Å; Y350-Y371 HydrophobicContact CE2-CE1 4.4Å; Y350-Y371 HydrophobicContact CE2-CG 4.42Å; Y350-Y371 HydrophobicContact CG-CD1 4.38Å; Y350-Y371 HydrophobicContact CG-CE1 4.11Å; Y350-Y371 HydrophobicContact CG-CE2 4.4Å; Y350-Y371 PolarHBondContact O-OH 3.49Å; L367-Y371 HydrophobicContact CD2-CD2 3.92Å; L367-Y371 HydrophobicContact CD2-CE2 4.41Å; L367-Y371 CarbonylContact O-C 3.48Å; L367-Y371 WeakPolarHBondContact O-CA 3.49Å; L367-Y371 WeakPolarHBondContact O-CB 3.18Å; L367-Y371 PolarHBondContact O-N 2.73Å; Y371-F373 VanDerWaalsContact C-N 3.34Å; Y371-F373 VanDerWaalsContact CB-CE1 3.47Å; Y371-F373 HydrophobicContact CG-CE1 4.27Å; Y371-F373 PolarHBondContact O-N 3.48Å
372L78.5Confident86.3Confident9 Ų943.2 Ų43.25%0.04724%0.235CC..SBendtrans63.232.3169.3-42.9-179.7000114.8N198 I203 A204 H205 L367 R368N198-L372 HydrophobicContact CB-CB 3.96Å; N198-L372 WeakPolarHBondContact CB-O 3.46Å; N198-L372 PolarHBondContact ND2-O 3.2Å; I203-L372 HydrophobicContact CB-CB 4.26Å; I203-L372 HydrophobicContact CB-CD2 3.99Å; I203-L372 HydrophobicContact CG2-CB 4.43Å; I203-L372 HydrophobicContact CG2-CD2 3.51Å; A204-L372 VanDerWaalsContact C-CD2 3.42Å; H205-L372 HydrophobicContact CB-CD1 4.46Å; H205-L372 HydrophobicContact CB-CD2 4.37Å; L367-L372 PolarHBondContact O-N 2.73Å; L367-L372 VanDerWaalsContact O-N 3.14Å; R368-L372 WeakPolarHBondContact O-CA 3.36Å; R368-L372 PolarHBondContact O-N 2.76Å; R368-L372 VanDerWaalsContact O-N 3.14Å
373F83.3Confident86.4Confident46 Ų4644.2 Ų44.220%0.20224%0.239CC..  trans-143.2164.8176.278.5-84.7000113H315 Y350 L367 Y371 C375H315-F373 HydrophobicContact CB-CE1 4.27Å; H315-F373 HydrophobicContact CB-CE2 4.11Å; H315-F373 HydrophobicContact CB-CZ 3.43Å; H315-F373 VanDerWaalsContact CB-CZ 3.43Å; H315-F373 AromaticContact CD2-CZ 3.82Å; H315-F373 AromaticContact CG-CZ 3.76Å; Y350-F373 HydrophobicContact CD2-CE1 4.03Å; Y350-F373 HydrophobicContact CD2-CZ 4.4Å; Y350-F373 HydrophobicContact CE2-CE1 4.19Å; L367-F373 HydrophobicContact CB-CE1 4.32Å; L367-F373 HydrophobicContact CB-CZ 4.19Å; L367-F373 HydrophobicContact CD1-CE2 4.22Å; L367-F373 HydrophobicContact CD1-CZ 3.94Å; L367-F373 HydrophobicContact CD2-CE1 4.04Å; L367-F373 HydrophobicContact CD2-CZ 3.76Å; L367-F373 HydrophobicContact CG-CZ 4.17Å; Y371-F373 VanDerWaalsContact C-N 3.34Å; Y371-F373 VanDerWaalsContact CB-CE1 3.47Å; Y371-F373 HydrophobicContact CG-CE1 4.27Å; Y371-F373 PolarHBondContact O-N 3.48Å; F373-C375 HydrophobicContact CE2-CB 3.98Å
374V84Confident86Confident45 Ų4549.4 Ų49.427%0.27326%0.264SS..  trans-106.9123.4171.9-173.70000109.8R368 S376R368-V374 HydrophobicContact CG-CG2 4.23Å; V374-S376 PolarHBondContact O-N 3.31Å
375C90.6Very high85.8Confident6 Ų656.9 Ų56.94%0.04131%0.305CS..  trans-71.2130.1-179.7-173.20000111.7H364 L367 F373 C377 C380H364-C375 PolarHBondContact NE2-O 3.47Å; H364-C375 VanDerWaalsContact NE2-O 3.14Å; L367-C375 HydrophobicContact CD1-CB 3.69Å; F373-C375 HydrophobicContact CE2-CB 3.98Å; C375-C377 PolarHBondContact SG-SG 3.08Å; C375-C380 WeakPolarHBondContact O-CB 3.46Å
376S91.1Very high85.6Confident83 Ų8358.2 Ų58.258%0.5831%0.312SS*.  trans-119.224.8176.953.30000112.4V374 T381V374-S376 PolarHBondContact O-N 3.31Å; S376-T381 PolarHBondContact O-OG1 3.3Å
377C92.5Very high85.1Confident18 Ų1864 Ų6412%0.12234%0.342CS..SBendtrans-65.6165176.478.20000111.8C375 K379 C380 T381C375-C377 PolarHBondContact SG-SG 3.08Å; C377-K379 VanDerWaalsContact C-N 3.26Å; C377-K379 PolarHBondContact O-N 2.82Å; C377-K379 VanDerWaalsContact O-N 3.15Å; C377-C380 WeakPolarHBondContact O-CA 3.44Å; C377-C380 PolarHBondContact O-N 2.84Å; C377-T381 PolarHBondContact O-N 3.3Å; C377-T381 PolarHBondContact O-OG1 3.44Å
378S92.3Very high84Confident83 Ų8368.6 Ų68.658%0.5837%0.367SS*.Hα-helixtrans-52.4-39.4-178.455.10000113.8T381 S382S378-T381 PolarHBondContact O-N 2.9Å; S378-S382 WeakPolarHBondContact O-CB 3.46Å; S378-S382 PolarHBondContact O-N 3.06Å; S378-S382 PolarHBondContact O-OG 3Å
379K92.7Very high83Confident35 Ų3568.8 Ų68.815%0.15238%0.379CS..Hα-helixtrans-62.4-46.7174.1-165.1175.1-178.7176.70111.8C317 I318 R356 D357 C377 T381 S382 Q383C317-K379 HydrophobicContact CB-CB 4.22Å; C317-K379 HydrophobicContact CB-CD 3.97Å; I318-K379 HydrophobicContact CD1-CB 3.65Å; I318-K379 HydrophobicContact CD1-CD 4.42Å; I318-K379 HydrophobicContact CD1-CG 4.27Å; I318-K379 HydrophobicContact CG1-CB 3.84Å; I318-K379 HydrophobicContact CG1-CD 4.07Å; I318-K379 HydrophobicContact CG1-CG 4.38Å; R356-K379 PolarHBondContact O-NZ 2.87Å; D357-K379 IonicContact OD1-NZ 2.65Å; D357-K379 PolarHBondContact OD1-NZ 3.42Å; C377-K379 VanDerWaalsContact C-N 3.26Å; C377-K379 PolarHBondContact O-N 2.82Å; C377-K379 VanDerWaalsContact O-N 3.15Å; K379-T381 VanDerWaalsContact C-N 3.31Å; K379-T381 PolarHBondContact O-N 2.98Å; K379-S382 PolarHBondContact O-N 3.14Å; K379-S382 PolarHBondContact O-OG 2.92Å; K379-Q383 WeakPolarHBondContact O-CB 3.39Å; K379-Q383 VanDerWaalsContact O-CG 3.24Å; K379-Q383 WeakPolarHBondContact O-CG 3.32Å; K379-Q383 PolarHBondContact O-N 2.82Å
380C91.7Very high82.1Confident2 Ų269.1 Ų69.11%0.01439%0.386CS..Hα-helixtrans-68.5-32.5180-71.60000112.3R360 R363 H364 C375 C377 M384R360-C380 WeakPolarHBondContact CD-O 3.42Å; R360-C380 PolarHBondContact NE-O 3.47Å; R363-C380 PolarHBondContact NH2-SG 3.08Å; R363-C380 VanDerWaalsContact NH2-SG 3.36Å; H364-C380 PolarHBondContact NE2-SG 3.33Å; C375-C380 WeakPolarHBondContact O-CB 3.46Å; C377-C380 WeakPolarHBondContact O-CA 3.44Å; C377-C380 PolarHBondContact O-N 2.84Å; C380-M384 WeakPolarHBondContact O-CG 3.36Å
381T91.9Very high81.1Confident75 Ų7569 Ų6946%0.4639%0.389SS..Hα-helixtrans-71.2-41.4174.8-54.70000111.8S376 C377 S378 K379 Q383 M384S376-T381 PolarHBondContact O-OG1 3.3Å; C377-T381 PolarHBondContact O-N 3.3Å; C377-T381 PolarHBondContact O-OG1 3.44Å; S378-T381 PolarHBondContact O-N 2.9Å; K379-T381 VanDerWaalsContact C-N 3.31Å; K379-T381 PolarHBondContact O-N 2.98Å; T381-Q383 PolarHBondContact O-N 3.18Å; T381-M384 HydrophobicContact CG2-SD 4.05Å; T381-M384 VanDerWaalsContact O-CG 3.27Å; T381-M384 WeakPolarHBondContact O-CG 3.39Å; T381-M384 PolarHBondContact O-N 3.01Å
382S91.3Very high79.6Confident90 Ų9073.8 Ų73.863%0.62941%0.414SS*.Hα-helixtrans-67.6-24.317964.50000113.4S378 K379S378-S382 WeakPolarHBondContact O-CB 3.46Å; S378-S382 PolarHBondContact O-N 3.06Å; S378-S382 PolarHBondContact O-OG 3Å; K379-S382 PolarHBondContact O-N 3.14Å; K379-S382 PolarHBondContact O-OG 2.92Å
383Q89.7Confident78.1Confident29 Ų2981.1 Ų81.114%0.13645%0.448CS..THydrogen-bonded Turntrans-97.214.4-179.1-62.7-173.1-60.900113.5R360 R363 K379 T381 D385 E386R360-Q383 HydrophobicContact CB-CB 4.1Å; R360-Q383 VanDerWaalsContact CD-O 3.3Å; R360-Q383 WeakPolarHBondContact CD-O 3.47Å; R363-Q383 VanDerWaalsContact CZ-OE1 3.32Å; K379-Q383 WeakPolarHBondContact O-CB 3.39Å; K379-Q383 VanDerWaalsContact O-CG 3.24Å; K379-Q383 WeakPolarHBondContact O-CG 3.32Å; K379-Q383 PolarHBondContact O-N 2.82Å; T381-Q383 PolarHBondContact O-N 3.18Å; Q383-D385 VanDerWaalsContact C-N 3.27Å; Q383-D385 PolarHBondContact O-N 3.23Å; Q383-E386 HydrophobicContact CB-CG 4.34Å; Q383-E386 WeakPolarHBondContact CG-OE2 3.46Å; Q383-E386 PolarHBondContact NE2-OE2 2.8Å; Q383-E386 PolarHBondContact O-N 2.98Å
384M84.6Confident76.5Confident108 Ų10880 Ų8053%0.53244%0.444SS..THydrogen-bonded Turntrans-64.6-28.9-175.1-77.1178.260.700114.2C380 T381C380-M384 WeakPolarHBondContact O-CG 3.36Å; T381-M384 HydrophobicContact CG2-SD 4.05Å; T381-M384 VanDerWaalsContact O-CG 3.27Å; T381-M384 WeakPolarHBondContact O-CG 3.39Å; T381-M384 PolarHBondContact O-N 3.01Å
385D83.5Confident74.4Confident162 Ų16284.4 Ų84.487%0.86646%0.461SS*.THydrogen-bonded Turntrans-98.51.8-178.1-59.9-41.5000112.9Q383Q383-D385 VanDerWaalsContact C-N 3.27Å; Q383-D385 PolarHBondContact O-N 3.23Å
386E81.6Confident71.8Confident107 Ų10791.4 Ų91.450%0.549%0.493SS..SBendtrans-74.3142.4174.2-67177.9-174.700109.7Q383Q383-E386 HydrophobicContact CB-CG 4.34Å; Q383-E386 WeakPolarHBondContact CG-OE2 3.46Å; Q383-E386 PolarHBondContact NE2-OE2 2.8Å; Q383-E386 PolarHBondContact O-N 2.98Å
387L72.3Confident69.2Low152 Ų15289.8 Ų89.880%0.79649%0.49SS*.  trans-65.2138.4175.9-68.9171.1000109.8V389L387-V389 WeakPolarHBondContact O-CG2 3.45Å; L387-V389 PolarHBondContact O-N 3.11Å
388D65.3Low66.6Low98 Ų9893.1 Ų93.152%0.52450%0.504SS..  trans-70.783.2170.3-77.9-3.7000108.5H361H361-D388 HydrophobicContact CB-CB 4.04Å; H361-D388 IonicContact CE1-OD2 3.52Å; H361-D388 IonicContact CG-OD2 2.84Å; H361-D388 VanDerWaalsContact ND1-CG 3.34Å; H361-D388 IonicContact ND1-OD1 2.66Å; H361-D388 IonicContact ND1-OD2 3.68Å; H361-D388 PolarHBondContact ND1-OD2 3.26Å
389V61.6Low63.7Low104 Ų10491.8 Ų91.863%0.6350%0.498SS*.PPolyproline II helixtrans-96.8119.2168.9-98.70000108.7L387L387-V389 WeakPolarHBondContact O-CG2 3.45Å; L387-V389 PolarHBondContact O-N 3.11Å
390T56.1Low60.9Low68 Ų6897.5 Ų97.542%0.41753%0.525SS..PPolyproline II helixtrans-74.9134.5160.248.20000107.6E394T390-E394 WeakPolarHBondContact CA-OE2 3.44Å; T390-E394 VanDerWaalsContact CB-OE2 3.25Å; T390-E394 WeakPolarHBondContact CB-OE2 3.38Å
391S52.4Low58.1Low54 Ų54100.5 Ų100.538%0.37856%0.556SS.*PPolyproline II helixtrans-71.8151.7174.846.10000109.9E393 E394S391-E393 PolarHBondContact O-N 3.03Å; S391-E393 VanDerWaalsContact O-N 3.11Å; S391-E394 PolarHBondContact N-OE2 2.8Å; S391-E394 WeakPolarHBondContact O-CA 3.12Å; S391-E394 VanDerWaalsContact O-CB 3.27Å; S391-E394 WeakPolarHBondContact O-CB 3.33Å; S391-E394 PolarHBondContact O-N 2.83Å; S391-E394 WeakPolarHBondContact OG-CG 3.46Å
392E44.3Very low55.3Low176 Ų176104.9 Ų104.982%0.82257%0.572SS**Hα-helixtrans-56.3-28.8178.4-66174.517600112.5E394 E395E392-E394 PolarHBondContact O-N 3.34Å; E392-E394 VanDerWaalsContact O-N 3.14Å; E392-E395 PolarHBondContact O-N 2.61Å
393E48.5Very low52.3Low163 Ų163105.3 Ų105.376%0.76257%0.57SS**Hα-helixtrans-62.2-14.1171.1-62.6179.6178.100114.1S391S391-E393 PolarHBondContact O-N 3.03Å; S391-E393 VanDerWaalsContact O-N 3.11Å
394E49.2Very low49.9Very low23 Ų23112.9 Ų112.911%0.10761%0.606CS.*Hα-helixtrans-91.5-22.5179-63.9-179.4149.700112.9R358 S362 T390 S391 E392 E398R358-E394 IonicContact CZ-OE1 3.38Å; R358-E394 IonicContact NH1-OE1 3.33Å; R358-E394 PolarHBondContact NH1-OE1 3.31Å; R358-E394 VanDerWaalsContact NH1-OE1 3.09Å; S362-E394 VanDerWaalsContact CB-OE1 3.29Å; S362-E394 WeakPolarHBondContact CB-OE1 3.44Å; S362-E394 PolarHBondContact OG-OE1 3.42Å; S362-E394 PolarHBondContact OG-OE2 3.09Å; T390-E394 WeakPolarHBondContact CA-OE2 3.44Å; T390-E394 VanDerWaalsContact CB-OE2 3.25Å; T390-E394 WeakPolarHBondContact CB-OE2 3.38Å; S391-E394 PolarHBondContact N-OE2 2.8Å; S391-E394 WeakPolarHBondContact O-CA 3.12Å; S391-E394 VanDerWaalsContact O-CB 3.27Å; S391-E394 WeakPolarHBondContact O-CB 3.33Å; S391-E394 PolarHBondContact O-N 2.83Å; S391-E394 WeakPolarHBondContact OG-CG 3.46Å; E392-E394 PolarHBondContact O-N 3.34Å; E392-E394 VanDerWaalsContact O-N 3.14Å; E394-E398 WeakPolarHBondContact O-CG 3.49Å; E394-E398 PolarHBondContact O-N 3.1Å
395E38.8Very low47.4Very low137 Ų137110.9 Ų110.964%0.6461%0.613SS**Hα-helixtrans-71.7-31.9175.2-72.9-172.8171.600111.9E392 A399E392-E395 PolarHBondContact O-N 2.61Å; E395-A399 PolarHBondContact O-N 3.14Å
396E36Very low45.1Very low153 Ų153110.3 Ų110.372%0.71561%0.61SS**Hα-helixtrans-71.3-36.9177.7-68.1-174166.100112.3A399 E400E396-A399 PolarHBondContact O-N 2.84Å; E396-E400 PolarHBondContact O-N 3.47Å
397G36.9Very low42.8Very low49 Ų49113.9 Ų113.951%0.50563%0.627SS.*Hα-helixtrans-74.9-22.7176.600000114.6
398E38.4Very low40.9Very low88 Ų88116 Ų11641%0.41164%0.635SS.*Hα-helixtrans-75.5-34.1172-73.2-173167.400111.6K365 E394 G401 E402K365-E398 IonicContact NZ-OE1 3.84Å; K365-E398 PolarHBondContact NZ-OE1 3.03Å; E394-E398 WeakPolarHBondContact O-CG 3.49Å; E394-E398 PolarHBondContact O-N 3.1Å; E398-G401 PolarHBondContact O-N 3.21Å; E398-E402 WeakPolarHBondContact O-CG 3.28Å; E398-E402 PolarHBondContact O-N 3Å
399A31.3Very low39.3Very low55 Ų55120.1 Ų120.146%0.45565%0.651SS.*Hα-helixtrans-68.5-34.1176.600000113.3E395 E396 T403E395-A399 PolarHBondContact O-N 3.14Å; E396-A399 PolarHBondContact O-N 2.84Å; A399-T403 WeakPolarHBondContact O-CG2 3.45Å; A399-T403 PolarHBondContact O-N 3.23Å; A399-T403 PolarHBondContact O-OG1 3.35Å
400E33.5Very low37.8Very low154 Ų154122.4 Ų122.472%0.7266%0.66SS**Hα-helixtrans-75.7-26.1177.3-67.5-171.1167.900113E396E396-E400 PolarHBondContact O-N 3.47Å
401G33.4Very low36.5Very low66 Ų66128.6 Ų128.668%0.6868%0.684SS**Hα-helixtrans-84.7-19.4176.800000115.1E398E398-G401 PolarHBondContact O-N 3.21Å
402E32.8Very low35.5Very low166 Ų166134.5 Ų134.578%0.77671%0.708SS**Hα-helixtrans-100-11.1-178.5-68.5-168.8169.600114E398E398-E402 WeakPolarHBondContact O-CG 3.28Å; E398-E402 PolarHBondContact O-N 3Å
403T29Very low34.8Very low99 Ų99132.9 Ų132.961%0.60771%0.71SS**SBendtrans-100.7-6.7-174.6500000116.3A399 G405A399-T403 WeakPolarHBondContact O-CG2 3.45Å; A399-T403 PolarHBondContact O-N 3.23Å; A399-T403 PolarHBondContact O-OG1 3.35Å; T403-G405 VanDerWaalsContact C-N 3.27Å; T403-G405 PolarHBondContact O-N 2.93Å
404E39.2Very low33.8Very low188 Ų188132.6 Ų132.688%0.87971%0.714SS**THydrogen-bonded Turntrans-88.219177.4-67.4-159.7156.700114.6
405G32.2Very low32.9Very low67 Ų67141.9 Ų141.969%0.69177%0.772SS**THydrogen-bonded Turntrans-107.4-18.5178.500000115.5T403T403-G405 VanDerWaalsContact C-N 3.27Å; T403-G405 PolarHBondContact O-N 2.93Å
406D34.8Very low32.6Very low150 Ų150142.2 Ų142.280%0.80278%0.778SS**SBendtrans-130.5129.9-175.3-81.2-33.4000109.9
407E33.2Very low32.4Very low182 Ų182141.6 Ų141.685%0.8578%0.782SS**  trans86.382.4175.2-51.1-171.417600117.5
408M32.1Very low32.1Very low195 Ų195146.7 Ų146.796%0.96180%0.797SS**  -164.484.1123.4-106.6175.2-94.500111.1
409E31Very low31.8Very low185 Ų185150.2 Ų150.286%0.86482%0.82SS**  trans-77139.6151.4-85.4-175.9159.900108.9
410D31.7Very low31.8Very low152 Ų152156.1 Ų156.181%0.81384%0.843SS**  trans60.5101.9161.1-66.6-20.5000119.6
411E27.6Very low31.7Very low198 Ų198156.3 Ų156.393%0.92585%0.851SS**  -161.6117.9114.3-112.2179.1179.600112.2
412M32Very low31.6Very low179 Ų179162.7 Ų162.788%0.88286%0.863SS**  trans-61.4150.9164-68.1-170.7169.900111
413T28.7Very low31.5Very low141 Ų141162.5 Ų162.587%0.86587%0.87SS**  -162.7138.6127.518.50000111.6
414D28.5Very low31.7Very low157 Ų157167.8 Ų167.884%0.8489%0.892SS**  trans-52.5141.4173.6-58.8-64.4000113.5
415V29.1Very low31Very low219 Ų219165.9 Ų165.9100%1.32789%0.893SS**  -163.20116.1176.10000109.4

Retrieved 415 of 415 residues in 378.4 ms (Link to these results)

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