A0A087YN91_POEFO Loading...

Moesin a

AlphaFold DB (A0A3B3VJG3), UniProt , Accession A0A087YN91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 579 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.8Low88.7Confident234 Ų23469.7 Ų69.7100%1.15336%0.359SS*.  0148.50-64.5173.3-178.200108.7
2P64.3Low89.4Confident90 Ų9066.9 Ų66.958%0.58434%0.344SS*.PPolyproline II helixtrans-62.3139.1170.127.9-34.1000110T4P2-T4 PolarHBondContact O-N 2.95Å
3K83.8Confident89.7Confident186 Ų18666.9 Ų66.981%0.80935%0.345SS*.PPolyproline II helixtrans-74.6117.8176.7-170.6173.8-177.1176.70108.9P22K3-P22 WeakPolarHBondContact O-CG 3.46Å
4T91.7Very high90.1Very high74 Ų7465.1 Ų65.145%0.45435%0.345SS..PPolyproline II helixtrans-69.3161176.3470000111.7P2 A19 I20P2-T4 PolarHBondContact O-N 2.95Å; T4-A19 HydrophobicContact CG2-CB 4.49Å; T4-I20 WeakPolarHBondContact CA-O 3.42Å
5V94.1Very high90.6Very high35 Ų3568 Ų6821%0.21236%0.356CS..EExtended strand (participates in β ladder)trans-116.5122.2177.7-178.90000108A19 I20 P22 T66 L76V5-A19 WeakPolarHBondContact O-CA 3.45Å; V5-I20 HydrophobicContact CB-CG1 3.97Å; V5-I20 PolarHBondContact N-O 3.22Å; V5-I20 PolarHBondContact O-N 3.45Å; V5-P22 HydrophobicContact CG2-CG 4.49Å; V5-T66 HydrophobicContact CG2-CG2 4.33Å; V5-L76 HydrophobicContact CG1-CD1 3.56Å; V5-L76 HydrophobicContact CG1-CG 3.95Å
6S96.1Very high91Very high37 Ų3765.5 Ų65.526%0.25934%0.343SS..EExtended strand (participates in β ladder)trans-76.1139.3175.6-166.40000110.8P75 L76S6-P75 WeakPolarHBondContact O-CA 3.46Å; S6-L76 PolarHBondContact O-N 3.14Å
7V97.4Very high91.3Very high0 Ų067.9 Ų67.90%035%0.352CS..EExtended strand (participates in β ladder)trans-134.8136-176.7-179.70000109.4V9 E17 F18 I20 L29 L76 F78V7-V9 HydrophobicContact CG1-CG2 3.97Å; V7-E17 WeakPolarHBondContact O-CA 3.43Å; V7-F18 PolarHBondContact N-O 3.44Å; V7-F18 PolarHBondContact O-N 3.34Å; V7-I20 HydrophobicContact CG2-CB 4.45Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.71Å; V7-I20 HydrophobicContact CG2-CG2 4.04Å; V7-L29 HydrophobicContact CG1-CD1 4.03Å; V7-L29 HydrophobicContact CG1-CD2 4.39Å; V7-L76 WeakPolarHBondContact CA-O 3.44Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; V7-F78 HydrophobicContact CG1-CD2 3.6Å; V7-F78 HydrophobicContact CG1-CE2 3.72Å
8R98.3Very high91.6Very high66 Ų6666.1 Ų66.125%0.24934%0.341CS..EExtended strand (participates in β ladder)trans-115.8127168.2-173.8-173.6-66.2-164.36.1109.4I10 E15 L16 E17 P75 L76 F77 F78R8-I10 HydrophobicContact CG-CG1 4.2Å; R8-E15 VanDerWaalsContact CD-OE2 3.3Å; R8-E15 WeakPolarHBondContact CD-OE2 3.36Å; R8-E15 IonicContact CZ-OE2 3.92Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 3.16Å; R8-E15 PolarHBondContact NH1-OE2 3.18Å; R8-L16 CarbonylContact C-O 3.54Å; R8-L16 WeakPolarHBondContact CA-O 3.39Å; R8-E17 HydrophobicContact CB-CG 4.04Å; R8-E17 HydrophobicContact CG-CG 3.92Å; R8-E17 IonicContact CZ-OE1 2.85Å; R8-E17 IonicContact NE-OE1 3.93Å; R8-E17 PolarHBondContact NE-OE1 3.46Å; R8-E17 IonicContact NH2-OE1 2.59Å; R8-E17 PolarHBondContact NH2-OE1 3.37Å; R8-P75 HydrophobicContact CB-CB 4.03Å; R8-P75 HydrophobicContact CB-CG 3.75Å; R8-L76 PolarHBondContact N-O 3.04Å; R8-F77 HydrophobicContact CB-CD1 4.26Å; R8-F77 HydrophobicContact CB-CE1 4.42Å; R8-F78 PolarHBondContact O-N 2.93Å
9V98.4Very high91.8Very high0 Ų065.9 Ų65.90%035%0.35CS..EExtended strand (participates in β ladder)trans-115.6122174.1-173.40000109.4V7 L16 F18 L29 V33 L47 F78 F80V7-V9 HydrophobicContact CG1-CG2 3.97Å; V9-L16 HydrophobicContact CB-CB 4.47Å; V9-L16 PolarHBondContact N-O 3.05Å; V9-L16 PolarHBondContact O-N 2.91Å; V9-F18 HydrophobicContact CG2-CE1 4.35Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; V9-L29 HydrophobicContact CG2-CD1 4.35Å; V9-V33 HydrophobicContact CB-CG2 4.01Å; V9-V33 HydrophobicContact CG1-CG1 4.12Å; V9-V33 HydrophobicContact CG1-CG2 3.84Å; V9-V33 HydrophobicContact CG2-CG2 3.75Å; V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.4Å; V9-F78 WeakPolarHBondContact CA-O 3.49Å; V9-F78 HydrophobicContact CG2-CB 4.33Å; V9-F80 HydrophobicContact CG1-CB 3.91Å
10I98.2Very high92.1Very high44 Ų4462.9 Ų62.923%0.22633%0.334CS..EExtended strand (participates in β ladder)trans-105.8117.4-178.8-54176.9000108.3R8 E15 F78 K79 F80 R81R8-I10 HydrophobicContact CG-CG1 4.2Å; I10-E15 WeakPolarHBondContact CD1-OE1 3.37Å; I10-E15 HydrophobicContact CG1-CG 4.08Å; I10-E15 HydrophobicContact CG2-CG 4.3Å; I10-F78 PolarHBondContact N-O 2.88Å; I10-K79 CarbonylContact O-C 3.53Å; I10-K79 WeakPolarHBondContact O-CA 3.4Å; I10-F80 PolarHBondContact O-N 2.88Å; I10-R81 PolarHBondContact O-NH1 3.44Å
11T97.9Very high92.2Very high1 Ų163.6 Ų63.61%0.00634%0.335CS..  trans-82.9-148.7173.567.10000109.6D13 A14 I37 F80 R81T11-D13 WeakPolarHBondContact CB-OD1 3.37Å; T11-D13 PolarHBondContact OG1-N 3.04Å; T11-D13 VanDerWaalsContact OG1-N 3.09Å; T11-D13 PolarHBondContact OG1-OD1 3.38Å; T11-A14 PolarHBondContact N-O 3.16Å; T11-A14 PolarHBondContact OG1-N 3.25Å; T11-A14 PolarHBondContact OG1-O 3.28Å; T11-I37 HydrophobicContact CG2-CG2 4.43Å; T11-F80 HydrophobicContact CG2-CB 4.13Å; T11-F80 HydrophobicContact CG2-CD1 4.27Å; T11-F80 HydrophobicContact CG2-CG 4.47Å; T11-R81 PolarHBondContact O-NH1 2.92Å; T11-R81 PolarHBondContact O-NH2 3.33Å
12M97.1Very high94Very high36 Ų3655 Ų5518%0.17730%0.297CS..SBendtrans-90.7-14.5165.2-63.6-55.4-45.600113.1R81 L101 L104 Q105 E108M12-R81 PolarHBondContact SD-NE 3.32Å; M12-R81 PolarHBondContact SD-NH2 3.17Å; M12-L101 HydrophobicContact CB-CD2 3.8Å; M12-L101 HydrophobicContact CG-CD2 4.06Å; M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.73Å; M12-L104 HydrophobicContact CB-CG 4.3Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 HydrophobicContact CG-CB 3.9Å; M12-Q105 HydrophobicContact CE-CB 4.48Å; M12-Q105 HydrophobicContact CG-CB 4.11Å; M12-Q105 HydrophobicContact SD-CB 3.76Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; M12-E108 HydrophobicContact CE-CB 3.92Å; M12-E108 HydrophobicContact CE-CG 4.38Å
13D93.6Very high95.5Very high67 Ų6754.1 Ų54.136%0.35829%0.293SS..SBendtrans-140.8-5-162.258.4-13.9000114.4T11 R100 L101 L104T11-D13 WeakPolarHBondContact CB-OD1 3.37Å; T11-D13 PolarHBondContact OG1-N 3.04Å; T11-D13 VanDerWaalsContact OG1-N 3.09Å; T11-D13 PolarHBondContact OG1-OD1 3.38Å; D13-R100 IonicContact OD2-CZ 3.1Å; D13-R100 IonicContact OD2-NE 3.09Å; D13-R100 PolarHBondContact OD2-NE 2.92Å; D13-R100 IonicContact OD2-NH2 3.21Å; D13-R100 PolarHBondContact OD2-NH2 3.49Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.28Å; D13-L104 HydrophobicContact CB-CD1 3.91Å
14A95.4Very high96.1Very high41 Ų4146.1 Ų46.134%0.33926%0.26SS..  trans-151.3153.9-179.100000112.2T11T11-A14 PolarHBondContact N-O 3.16Å; T11-A14 PolarHBondContact OG1-N 3.25Å; T11-A14 PolarHBondContact OG1-O 3.28Å
15E97Very high96.4Very high109 Ų10944.6 Ų44.651%0.50925%0.25SS..EExtended strand (participates in β ladder)trans-110.9131.5162-58.4-156.9161.800109.4R8 I10R8-E15 VanDerWaalsContact CD-OE2 3.3Å; R8-E15 WeakPolarHBondContact CD-OE2 3.36Å; R8-E15 IonicContact CZ-OE2 3.92Å; R8-E15 IonicContact NE-OE2 2.66Å; R8-E15 IonicContact NH1-OE2 3.16Å; R8-E15 PolarHBondContact NH1-OE2 3.18Å; I10-E15 WeakPolarHBondContact CD1-OE1 3.37Å; I10-E15 HydrophobicContact CG1-CG 4.08Å; I10-E15 HydrophobicContact CG2-CG 4.3Å
16L96.9Very high96.6Very high28 Ų2843 Ų4315%0.14724%0.24CC..EExtended strand (participates in β ladder)trans-114.3117.4177-54.8179.9000109.2R8 V9 F18 V33 T36 I37R8-L16 CarbonylContact C-O 3.54Å; R8-L16 WeakPolarHBondContact CA-O 3.39Å; V9-L16 HydrophobicContact CB-CB 4.47Å; V9-L16 PolarHBondContact N-O 3.05Å; V9-L16 PolarHBondContact O-N 2.91Å; L16-F18 HydrophobicContact CB-CD1 4.27Å; L16-F18 HydrophobicContact CB-CE1 3.98Å; L16-V33 HydrophobicContact CD1-CG1 4.19Å; L16-T36 HydrophobicContact CD1-CG2 3.94Å; L16-T36 HydrophobicContact CD2-CG2 3.78Å; L16-I37 HydrophobicContact CD1-CG2 4.25Å
17E96.6Very high96.6Very high107 Ų10745.9 Ų45.950%0.525%0.248SC..EExtended strand (participates in β ladder)trans-107.5131.7170.4-72.8-156.2171.900111.8V7 R8V7-E17 WeakPolarHBondContact O-CA 3.43Å; R8-E17 HydrophobicContact CB-CG 4.04Å; R8-E17 HydrophobicContact CG-CG 3.92Å; R8-E17 IonicContact CZ-OE1 2.85Å; R8-E17 IonicContact NE-OE1 3.93Å; R8-E17 PolarHBondContact NE-OE1 3.46Å; R8-E17 IonicContact NH2-OE1 2.59Å; R8-E17 PolarHBondContact NH2-OE1 3.37Å
18F95.9Very high96.7Very high35 Ų3550.9 Ų50.915%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-161164.1174.150.4-91.8000112.1V7 V9 L16 I20 L29 Q32 V33V7-F18 PolarHBondContact N-O 3.44Å; V7-F18 PolarHBondContact O-N 3.34Å; V9-F18 HydrophobicContact CG2-CE1 4.35Å; V9-F18 HydrophobicContact CG2-CZ 4.18Å; L16-F18 HydrophobicContact CB-CD1 4.27Å; L16-F18 HydrophobicContact CB-CE1 3.98Å; F18-I20 HydrophobicContact CD2-CG2 3.94Å; F18-I20 HydrophobicContact CE2-CG2 3.87Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.52Å; F18-Q32 VanDerWaalsContact CD2-NE2 3.25Å; F18-Q32 HydrophobicContact CE2-CG 4.09Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.29Å; F18-Q32 HydrophobicContact CZ-CG 4.08Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å
19A96.4Very high96.7Very high62 Ų6247.8 Ų47.851%0.51226%0.26SS..EExtended strand (participates in β ladder)trans-97.7130.6179.400000111.5T4 V5T4-A19 HydrophobicContact CG2-CB 4.49Å; V5-A19 WeakPolarHBondContact O-CA 3.45Å
20I96.3Very high96.7Very high6 Ų648.1 Ų48.13%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-107.2162.7173.870.5170.3000111.5T4 V5 V7 F18 T24 L29 V65T4-I20 WeakPolarHBondContact CA-O 3.42Å; V5-I20 HydrophobicContact CB-CG1 3.97Å; V5-I20 PolarHBondContact N-O 3.22Å; V5-I20 PolarHBondContact O-N 3.45Å; V7-I20 HydrophobicContact CG2-CB 4.45Å; V7-I20 HydrophobicContact CG2-CD1 3.74Å; V7-I20 HydrophobicContact CG2-CG1 3.71Å; V7-I20 HydrophobicContact CG2-CG2 4.04Å; F18-I20 HydrophobicContact CD2-CG2 3.94Å; F18-I20 HydrophobicContact CE2-CG2 3.87Å; I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.28Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; I20-L29 HydrophobicContact CG2-CD1 4.24Å; I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.04Å; I20-V65 HydrophobicContact CD1-CG2 4.01Å
21Q95.7Very high96.6Very high78 Ų7848 Ų4836%0.36426%0.261SS..  trans-83.7151.1172.1-66.4-63.6-22.600110.5S23 T24Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.84Å; Q21-T24 PolarHBondContact N-OG1 2.82Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.25Å; Q21-T24 WeakPolarHBondContact O-CB 3.31Å; Q21-T24 PolarHBondContact O-N 3.23Å; Q21-T24 PolarHBondContact O-OG1 3.49Å; Q21-T24 VanDerWaalsContact O-OG1 3.13Å
22P93.1Very high96.6Very high54 Ų5451.8 Ų51.835%0.35128%0.279SS..THydrogen-bonded Turntrans-59.1-17.9174.6-26.235.6000114.6K3 V5 T66K3-P22 WeakPolarHBondContact O-CG 3.46Å; V5-P22 HydrophobicContact CG2-CG 4.49Å; P22-T66 PolarHBondContact O-OG1 3Å
23S94.8Very high96.6Very high70 Ų7050 Ų5049%0.4927%0.27SS..THydrogen-bonded Turntrans-84.4-16.6174.648.80000114.6Q21 T25Q21-S23 WeakPolarHBondContact CB-OG 3.33Å; Q21-S23 PolarHBondContact O-N 2.84Å; S23-T25 PolarHBondContact O-N 3.06Å
24T97.3Very high96.8Very high19 Ų1947.2 Ų47.212%0.11726%0.255CS..  trans-58.2131.3-171.5-65.30000112.2I20 Q21 Q28 L29 K64 V65I20-T24 HydrophobicContact CB-CG2 4.08Å; I20-T24 HydrophobicContact CD1-CG2 4.28Å; I20-T24 HydrophobicContact CG2-CG2 4.29Å; Q21-T24 PolarHBondContact N-OG1 2.82Å; Q21-T24 VanDerWaalsContact N-OG1 3.13Å; Q21-T24 VanDerWaalsContact O-CB 3.25Å; Q21-T24 WeakPolarHBondContact O-CB 3.31Å; Q21-T24 PolarHBondContact O-N 3.23Å; Q21-T24 PolarHBondContact O-OG1 3.49Å; Q21-T24 VanDerWaalsContact O-OG1 3.13Å; T24-Q28 HydrophobicContact CG2-CB 3.83Å; T24-L29 HydrophobicContact CG2-CB 4.41Å; T24-K64 CarbonylContact O-C 3.5Å; T24-K64 WeakPolarHBondContact O-CA 3.41Å; T24-V65 PolarHBondContact O-N 2.94Å
25T98.1Very high96.8Very high42 Ų4253.3 Ų53.326%0.25827%0.274SS..BIsolated β-bridgetrans-82.3159.6176.668.20000111.9S23 K27 Q28 L29 K63S23-T25 PolarHBondContact O-N 3.06Å; T25-K27 PolarHBondContact O-N 2.85Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.36Å; T25-Q28 PolarHBondContact OG1-N 3.01Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.34Å; T25-L29 PolarHBondContact O-N 2.98Å; T25-K63 CarbonylContact C-O 3.57Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å
26G97.3Very high96.7Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-59.8-31.6172.100000112.5F30 L61 K63G26-F30 WeakPolarHBondContact O-CB 3.29Å; G26-F30 PolarHBondContact O-N 3.47Å; G26-L61 PolarHBondContact N-O 3.45Å; G26-K63 PolarHBondContact N-O 3.36Å
27K97.8Very high96.6Very high98 Ų9852.5 Ų52.543%0.42628%0.277SS..Hα-helixtrans-64-48.9173.3-17457.7164.973.60110.7T25 L29 F30 D31 L61T25-K27 PolarHBondContact O-N 2.85Å; K27-L29 PolarHBondContact O-N 3.3Å; K27-F30 PolarHBondContact O-N 3.44Å; K27-D31 WeakPolarHBondContact CD-OD1 3.32Å; K27-D31 WeakPolarHBondContact CE-OD1 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.45Å; K27-D31 IonicContact NZ-OD1 3.66Å; K27-D31 PolarHBondContact NZ-OD1 3.44Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.96Å; K27-D31 VanDerWaalsContact O-CB 3.26Å; K27-D31 WeakPolarHBondContact O-CB 3.43Å; K27-D31 PolarHBondContact O-N 3.2Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 WeakPolarHBondContact CB-O 3.34Å; K27-L61 HydrophobicContact CD-CB 4.4Å; K27-L61 HydrophobicContact CD-CD1 4.25Å; K27-L61 PolarHBondContact N-O 2.93Å
28Q97.9Very high96.5Very high106 Ų10649.6 Ų49.650%0.49528%0.275SS..Hα-helixtrans-61.9-42.5177.7-73.7169.3-36.900112.6T24 T25 Q32T24-Q28 HydrophobicContact CG2-CB 3.83Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.36Å; T25-Q28 PolarHBondContact OG1-N 3.01Å; T25-Q28 VanDerWaalsContact OG1-N 3.12Å; T25-Q28 PolarHBondContact OG1-OE1 3.34Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 2.93Å
29L98.1Very high96.5Very high0 Ų048.2 Ų48.20%027%0.27CS..Hα-helixtrans-63.8-43.6175.2173.958.8000111.7V7 V9 F18 I20 T24 T25 K27 V33 L47 L59 V65 F78V7-L29 HydrophobicContact CG1-CD1 4.03Å; V7-L29 HydrophobicContact CG1-CD2 4.39Å; V9-L29 HydrophobicContact CG2-CD1 4.35Å; F18-L29 HydrophobicContact CE2-CD1 3.41Å; F18-L29 VanDerWaalsContact CE2-CD1 3.41Å; F18-L29 HydrophobicContact CZ-CD1 3.52Å; I20-L29 HydrophobicContact CG2-CD1 4.24Å; T24-L29 HydrophobicContact CG2-CB 4.41Å; T25-L29 PolarHBondContact O-N 2.98Å; K27-L29 PolarHBondContact O-N 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 3.02Å; L29-L47 HydrophobicContact CB-CD1 4.47Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; L29-L59 HydrophobicContact CD2-CD2 3.92Å; L29-V65 HydrophobicContact CB-CG2 4.02Å; L29-V65 HydrophobicContact CD2-CG1 4.08Å; L29-V65 HydrophobicContact CD2-CG2 3.77Å; L29-F78 HydrophobicContact CD2-CD2 4.3Å; L29-F78 HydrophobicContact CD2-CE1 4.48Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.14Å
30F98.4Very high96.5Very high7 Ų749.1 Ų49.13%0.03126%0.26CS..Hα-helixtrans-65.7-46177.4179-82.9000112.1G26 K27 Q32 V33 V34 V42 F45 L47 L61 F80G26-F30 WeakPolarHBondContact O-CB 3.29Å; G26-F30 PolarHBondContact O-N 3.47Å; K27-F30 PolarHBondContact O-N 3.44Å; F30-Q32 VanDerWaalsContact C-N 3.28Å; F30-Q32 PolarHBondContact O-N 3.41Å; F30-V33 WeakPolarHBondContact O-CB 3.42Å; F30-V33 PolarHBondContact O-N 2.83Å; F30-V33 VanDerWaalsContact O-N 3.11Å; F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.35Å; F30-V34 HydrophobicContact CE1-CG1 3.59Å; F30-V34 HydrophobicContact CE1-CG2 4.16Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.71Å; F30-V34 PolarHBondContact O-N 3.36Å; F30-V42 HydrophobicContact CE1-CB 3.74Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.95Å; F30-V42 HydrophobicContact CZ-CG1 4.31Å; F30-F45 HydrophobicContact CE2-CB 4.16Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; F30-L47 HydrophobicContact CB-CD1 4.09Å; F30-L47 HydrophobicContact CD2-CD1 4.48Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.23Å; F30-L61 HydrophobicContact CG-CD2 4.01Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.46Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.18Å
31D97.8Very high96.6Very high41 Ų4148.9 Ų48.922%0.21926%0.258CS..Hα-helixtrans-60.5-37.9178.9-70.7-14.1000111.8K27 K35K27-D31 WeakPolarHBondContact CD-OD1 3.32Å; K27-D31 WeakPolarHBondContact CE-OD1 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.45Å; K27-D31 IonicContact NZ-OD1 3.66Å; K27-D31 PolarHBondContact NZ-OD1 3.44Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.96Å; K27-D31 VanDerWaalsContact O-CB 3.26Å; K27-D31 WeakPolarHBondContact O-CB 3.43Å; K27-D31 PolarHBondContact O-N 3.2Å; D31-K35 VanDerWaalsContact O-CB 3.29Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CG 3.28Å; D31-K35 PolarHBondContact O-N 3.05Å; D31-K35 VanDerWaalsContact O-N 3.12Å
32Q97.4Very high96.6Very high81 Ų8147.7 Ų47.738%0.37926%0.256SS..Hα-helixtrans-62.7-47.5173.7-176.3170-1.500111.2F18 Q28 F30 T36F18-Q32 VanDerWaalsContact CD2-NE2 3.25Å; F18-Q32 HydrophobicContact CE2-CG 4.09Å; F18-Q32 VanDerWaalsContact CE2-OE1 3.29Å; F18-Q32 HydrophobicContact CZ-CG 4.08Å; Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 2.93Å; F30-Q32 VanDerWaalsContact C-N 3.28Å; F30-Q32 PolarHBondContact O-N 3.41Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.31Å
33V97.8Very high96.7Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-60.1-52.8178.5172.50000111.5V9 L16 F18 L29 F30 K35 T36 I37 L47 F80V9-V33 HydrophobicContact CB-CG2 4.01Å; V9-V33 HydrophobicContact CG1-CG1 4.12Å; V9-V33 HydrophobicContact CG1-CG2 3.84Å; V9-V33 HydrophobicContact CG2-CG2 3.75Å; L16-V33 HydrophobicContact CD1-CG1 4.19Å; F18-V33 HydrophobicContact CE1-CG2 4.37Å; F18-V33 HydrophobicContact CZ-CG2 4.02Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 3.02Å; F30-V33 WeakPolarHBondContact O-CB 3.42Å; F30-V33 PolarHBondContact O-N 2.83Å; F30-V33 VanDerWaalsContact O-N 3.11Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.34Å; V33-T36 PolarHBondContact O-N 3.39Å; V33-I37 WeakPolarHBondContact O-CG1 3.49Å; V33-I37 PolarHBondContact O-N 3.49Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; V33-F80 HydrophobicContact CG1-CB 4.4Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.07Å; V33-F80 HydrophobicContact CG1-CG 4.06Å
34V97.2Very high96.9Very high7 Ų744.6 Ų44.64%0.04223%0.227CC..Hα-helixtrans-67.3-34.3-174.6-59.10000112.5F30 I37 G38 L39 V42 F80F30-V34 HydrophobicContact CD1-CG1 4.1Å; F30-V34 HydrophobicContact CD1-CG2 4.35Å; F30-V34 HydrophobicContact CE1-CG1 3.59Å; F30-V34 HydrophobicContact CE1-CG2 4.16Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.71Å; F30-V34 PolarHBondContact O-N 3.36Å; V34-I37 WeakPolarHBondContact O-CG1 3.02Å; V34-I37 PolarHBondContact O-N 2.89Å; V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.07Å; V34-L39 HydrophobicContact CB-CB 4.41Å; V34-L39 HydrophobicContact CG1-CD2 4.35Å; V34-L39 PolarHBondContact O-N 2.82Å; V34-V42 HydrophobicContact CB-CG1 4.19Å; V34-V42 HydrophobicContact CG1-CG1 4.19Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; V34-F80 HydrophobicContact CG1-CE2 3.57Å; V34-F80 HydrophobicContact CG1-CZ 3.66Å
35K95.6Very high96.9Very high170 Ų17044.3 Ų44.374%0.73922%0.224SC*.Hα-helixtrans-65.6-41171.9-73.9178.1178.1-171.20112.4D31 V33 I37 G38D31-K35 VanDerWaalsContact O-CB 3.29Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CG 3.28Å; D31-K35 PolarHBondContact O-N 3.05Å; D31-K35 VanDerWaalsContact O-N 3.12Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.34Å; K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 PolarHBondContact O-N 2.71Å; K35-G38 PolarHBondContact O-N 3.45Å
36T95.3Very high96.9Very high86 Ų8642.8 Ų42.853%0.52822%0.217SC..Hα-helixtrans-63.6-29.1177.3-64.10000113L16 Q32 V33L16-T36 HydrophobicContact CD1-CG2 3.94Å; L16-T36 HydrophobicContact CD2-CG2 3.78Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.31Å; V33-T36 PolarHBondContact O-N 3.39Å
37I94.4Very high97Very high34 Ų3442.8 Ų42.817%0.17422%0.217CC..THydrogen-bonded Turntrans-101.75178.968.5179.7000114.4T11 L16 V33 V34 K35 L39 F80 L101T11-I37 HydrophobicContact CG2-CG2 4.43Å; L16-I37 HydrophobicContact CD1-CG2 4.25Å; V33-I37 WeakPolarHBondContact O-CG1 3.49Å; V33-I37 PolarHBondContact O-N 3.49Å; V34-I37 WeakPolarHBondContact O-CG1 3.02Å; V34-I37 PolarHBondContact O-N 2.89Å; K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 PolarHBondContact O-N 2.71Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 4.08Å; I37-L39 HydrophobicContact CD1-CD1 4.34Å; I37-L39 HydrophobicContact CG1-CB 3.85Å; I37-L39 PolarHBondContact O-N 2.93Å; I37-F80 HydrophobicContact CD1-CD1 4.31Å; I37-F80 HydrophobicContact CD1-CE1 3.84Å; I37-F80 HydrophobicContact CD1-CZ 4.18Å; I37-L101 HydrophobicContact CD1-CD1 4.07Å
38G94.1Very high96.9Very high46 Ų4640.7 Ų40.747%0.47421%0.208SC..THydrogen-bonded Turntrans71.518.7178.300000116V34 K35 Q95V34-G38 PolarHBondContact O-N 3.04Å; V34-G38 VanDerWaalsContact O-N 3.07Å; K35-G38 PolarHBondContact O-N 3.45Å; G38-Q95 PolarHBondContact O-NE2 2.98Å
39L96.6Very high96.8Very high6 Ų636.4 Ų36.43%0.03119%0.188CC..  trans-94.1125-171.9-169.8147.9000112.3V34 I37 V42 F45 L101V34-L39 HydrophobicContact CB-CB 4.41Å; V34-L39 HydrophobicContact CG1-CD2 4.35Å; V34-L39 PolarHBondContact O-N 2.82Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CD1-CB 4.08Å; I37-L39 HydrophobicContact CD1-CD1 4.34Å; I37-L39 HydrophobicContact CG1-CB 3.85Å; I37-L39 PolarHBondContact O-N 2.93Å; L39-V42 HydrophobicContact CD2-CG1 4.26Å; L39-F45 HydrophobicContact CD1-CD2 4.1Å; L39-F45 HydrophobicContact CD1-CE2 3.59Å; L39-F45 HydrophobicContact CD1-CZ 3.88Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.96Å; L39-F45 HydrophobicContact CG-CE2 4.35Å; L39-L101 HydrophobicContact CD1-CD1 3.78Å
40R96.1Very high96.7Very high81 Ų8140.2 Ų40.231%0.30621%0.205SC..  trans-105-25.6178.5-60.4177.963.9177.60.9112.9V42 E301 M305R40-V42 PolarHBondContact O-N 3.45Å; R40-E301 IonicContact CZ-OE1 3.8Å; R40-E301 IonicContact NE-OE1 3.88Å; R40-E301 IonicContact NH2-OE1 2.81Å; R40-E301 PolarHBondContact NH2-OE1 2.89Å; R40-M305 HydrophobicContact CB-CE 3.64Å; R40-M305 HydrophobicContact CB-SD 3.81Å
41E97.1Very high96.3Very high0 Ų040.3 Ų40.30%021%0.207CC..  trans-75.548.8178.8-62.2172.783.300113W43 Y44 F45 I94 Q95 T98 M305E41-W43 HydrophobicContact CB-CH2 4.27Å; E41-W43 HydrophobicContact CB-CZ2 3.98Å; E41-W43 HydrophobicContact CG-CH2 4.05Å; E41-W43 HydrophobicContact CG-CZ2 3.86Å; E41-W43 PolarHBondContact O-N 2.79Å; E41-Y44 HydrophobicContact CB-CD2 4.07Å; E41-Y44 HydrophobicContact CB-CE2 4.03Å; E41-F45 WeakPolarHBondContact O-CD2 3.47Å; E41-I94 PolarHBondContact OE1-N 2.76Å; E41-I94 PolarHBondContact OE2-N 3.24Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.26Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.46Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; E41-T98 HydrophobicContact CB-CG2 4.12Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.27Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å
42V96.7Very high96Very high54 Ų5442.1 Ų42.133%0.32722%0.219SC..G310 helixtrans-59.7-23.7-169-67.10000114.2F30 V34 L39 R40 Y44 F45F30-V42 HydrophobicContact CE1-CB 3.74Å; F30-V42 HydrophobicContact CE1-CG1 3.82Å; F30-V42 HydrophobicContact CZ-CB 3.95Å; F30-V42 HydrophobicContact CZ-CG1 4.31Å; V34-V42 HydrophobicContact CB-CG1 4.19Å; V34-V42 HydrophobicContact CG1-CG1 4.19Å; V34-V42 HydrophobicContact CG2-CG1 3.88Å; L39-V42 HydrophobicContact CD2-CG1 4.26Å; R40-V42 PolarHBondContact O-N 3.45Å; V42-Y44 VanDerWaalsContact C-N 3.28Å; V42-Y44 PolarHBondContact O-N 3.43Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.12Å
43W95.6Very high95.6Very high52 Ų5245.7 Ų45.720%0.19723%0.233CC..G310 helixtrans-67.9-21.3-171.751.181.9000114.2E41 F84 L290 R293 V302 M305E41-W43 HydrophobicContact CB-CH2 4.27Å; E41-W43 HydrophobicContact CB-CZ2 3.98Å; E41-W43 HydrophobicContact CG-CH2 4.05Å; E41-W43 HydrophobicContact CG-CZ2 3.86Å; E41-W43 PolarHBondContact O-N 2.79Å; W43-F84 WeakPolarHBondContact O-CD2 3.27Å; W43-L290 HydrophobicContact CB-CD2 4.12Å; W43-L290 HydrophobicContact CG-CD2 4.08Å; W43-R293 VanDerWaalsContact CD2-NH1 3.31Å; W43-V302 HydrophobicContact CH2-CG2 3.9Å; W43-V302 HydrophobicContact CZ2-CG2 4.45Å; W43-M305 HydrophobicContact CH2-CE 4.01Å; W43-M305 HydrophobicContact CH2-SD 4.43Å
44Y97.9Very high95.1Very high6 Ų647.6 Ų47.62%0.02425%0.253CS..G310 helixtrans-76.3-27.2172.9-57.6-58.7000113.4E41 V42 K83 F84 E92 L93 T98 F102E41-Y44 HydrophobicContact CB-CD2 4.07Å; E41-Y44 HydrophobicContact CB-CE2 4.03Å; V42-Y44 VanDerWaalsContact C-N 3.28Å; V42-Y44 PolarHBondContact O-N 3.43Å; Y44-K83 PolarHBondContact O-N 3.05Å; Y44-F84 PolarHBondContact O-N 2.94Å; Y44-E92 WeakPolarHBondContact OH-CB 3.48Å; Y44-E92 PolarHBondContact OH-O 3.06Å; Y44-L93 HydrophobicContact CD2-CD2 4.32Å; Y44-L93 HydrophobicContact CE2-CD2 3.76Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; Y44-T98 HydrophobicContact CE2-CG2 4.29Å; Y44-F102 HydrophobicContact CD1-CE2 4.37Å; Y44-F102 HydrophobicContact CD1-CZ 4.04Å; Y44-F102 AromaticContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CZ 4.23Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.71Å; Y44-F102 HydrophobicContact CG-CE2 3.71Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å
45F98.4Very high94.6Very high14 Ų1451.4 Ų51.46%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-102163.9-159.6-64-85.8000114.4F30 L39 E41 V42 F80 R81 A82 T98 L101 F102F30-F45 HydrophobicContact CE2-CB 4.16Å; F30-F45 HydrophobicContact CZ-CB 4.28Å; L39-F45 HydrophobicContact CD1-CD2 4.1Å; L39-F45 HydrophobicContact CD1-CE2 3.59Å; L39-F45 HydrophobicContact CD1-CZ 3.88Å; L39-F45 HydrophobicContact CD2-CD2 3.82Å; L39-F45 HydrophobicContact CD2-CE2 3.96Å; L39-F45 HydrophobicContact CG-CE2 4.35Å; E41-F45 WeakPolarHBondContact O-CD2 3.47Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-F45 VanDerWaalsContact O-N 3.12Å; F45-F80 HydrophobicContact CB-CE1 3.94Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.38Å; F45-F80 HydrophobicContact CD1-CD1 4.05Å; F45-F80 AromaticContact CD1-CE1 3.34Å; F45-F80 HydrophobicContact CD1-CE1 3.34Å; F45-F80 AromaticContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD2-CE1 4.4Å; F45-F80 HydrophobicContact CD2-CZ 4.17Å; F45-F80 AromaticContact CE1-CE1 3.94Å; F45-F80 HydrophobicContact CE1-CE1 3.94Å; F45-F80 AromaticContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.48Å; F45-F80 HydrophobicContact CG-CZ 3.48Å; F45-F80 VanDerWaalsContact CG-CZ 3.48Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; F45-A82 HydrophobicContact CD1-CB 4.24Å; F45-A82 HydrophobicContact CE1-CB 4.07Å; F45-T98 HydrophobicContact CE2-CG2 4.02Å; F45-T98 HydrophobicContact CZ-CG2 4.14Å; F45-L101 HydrophobicContact CE1-CB 4.03Å; F45-L101 HydrophobicContact CE1-CD1 4.08Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.29Å; F45-F102 HydrophobicContact CE2-CE2 4.37Å; F45-F102 HydrophobicContact CZ-CD2 4.13Å; F45-F102 AromaticContact CZ-CE2 3.97Å; F45-F102 HydrophobicContact CZ-CE2 3.97Å
46G97.7Very high94.4Very high9 Ų945.9 Ų45.99%0.09325%0.252CS..EExtended strand (participates in β ladder)trans-155.7169.3169.700000112.4R81G46-R81 PolarHBondContact N-O 2.98Å; G46-R81 PolarHBondContact O-N 3.25Å; G46-R81 VanDerWaalsContact O-N 3.12Å
47L98.2Very high94.2Very high1 Ų143.1 Ų43.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-98.6118.2169.3-69.4168.3000109.2V9 L29 F30 V33 L59 F78 F80V9-L47 HydrophobicContact CG1-CD2 3.48Å; V9-L47 VanDerWaalsContact CG1-CD2 3.48Å; V9-L47 HydrophobicContact CG2-CD2 4.4Å; L29-L47 HydrophobicContact CB-CD1 4.47Å; L29-L47 HydrophobicContact CD2-CD1 3.98Å; L29-L47 HydrophobicContact CG-CD1 3.71Å; F30-L47 HydrophobicContact CB-CD1 4.09Å; F30-L47 HydrophobicContact CD2-CD1 4.48Å; F30-L47 HydrophobicContact CD2-CG 4.28Å; V33-L47 HydrophobicContact CG2-CD2 4.49Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.8Å; L47-L59 WeakPolarHBondContact O-CB 3.45Å; L47-L59 PolarHBondContact O-N 3.02Å; L47-F78 HydrophobicContact CB-CB 4.49Å; L47-F78 HydrophobicContact CB-CD1 4.19Å; L47-F78 HydrophobicContact CD2-CB 4.11Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 3.99Å
48Q97.3Very high94.2Very high53 Ų5344 Ų4425%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-100.1137.1176.8-166.5-174.6110.200109.8S56 T57 W58 F78 K79Q48-S56 VanDerWaalsContact CG-OG 3.24Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.01Å; Q48-T57 CarbonylContact C-O 3.58Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.48Å; Q48-W58 HydrophobicContact CB-CD2 4.45Å; Q48-W58 HydrophobicContact CB-CE3 3.91Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; Q48-F78 CarbonylContact O-C 3.51Å; Q48-F78 VanDerWaalsContact O-CA 3.28Å; Q48-F78 WeakPolarHBondContact O-CA 3.21Å; Q48-K79 HydrophobicContact CB-CB 4.47Å; Q48-K79 PolarHBondContact N-O 2.71Å; Q48-K79 PolarHBondContact O-N 3.42Å
49Y96.3Very high94.3Very high17 Ų1742.4 Ų42.47%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-138.8162.7177.163.8-81.3000111.1D51 S56 T57 L59 Q68 V70 F78Y49-D51 HydrophobicContact CE2-CB 4.22Å; Y49-S56 WeakPolarHBondContact O-CA 3.32Å; Y49-T57 VanDerWaalsContact CD1-O 3.28Å; Y49-T57 WeakPolarHBondContact CD1-O 3.44Å; Y49-T57 HydrophobicContact CE1-CG2 4Å; Y49-T57 HydrophobicContact CE2-CG2 4.33Å; Y49-T57 PolarHBondContact N-O 3.15Å; Y49-T57 PolarHBondContact O-N 2.96Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.21Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CD1-CD1 4.47Å; Y49-L59 HydrophobicContact CE1-CB 4.15Å; Y49-L59 HydrophobicContact CE1-CD1 4.16Å; Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.3Å; Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.31Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.27Å; Y49-F78 HydrophobicContact CD1-CD1 4.2Å; Y49-F78 AromaticContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CG-CD1 4.28Å; Y49-F78 AromaticContact CG-CE1 3.99Å; Y49-F78 HydrophobicContact CG-CE1 3.99Å
50Q94.6Very high94.2Very high79 Ų7947.7 Ų47.737%0.36924%0.239SC..EExtended strand (participates in β ladder)trans-89.5130167.6-163.4178.248.400109.7G54 R71Q50-G54 VanDerWaalsContact CG-C 3.41Å; Q50-G54 WeakPolarHBondContact CG-O 3.41Å; Q50-G54 PolarHBondContact NE2-O 3.28Å; Q50-R71 WeakPolarHBondContact O-CB 3.42Å; Q50-R71 PolarHBondContact O-N 3.34Å; Q50-R71 VanDerWaalsContact OE1-CD 3.27Å
51D91.1Very high94.1Very high10 Ų1047 Ų475%0.05324%0.241CC..BIsolated β-bridgetrans-78.4170.9174.980.2-6.9000112.5Y49 K53 G54 F55 D69 R275Y49-D51 HydrophobicContact CE2-CB 4.22Å; D51-K53 PolarHBondContact O-N 3.42Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.49Å; D51-K53 WeakPolarHBondContact OD1-CB 3.27Å; D51-K53 PolarHBondContact OD1-N 3.19Å; D51-G54 PolarHBondContact O-N 2.95Å; D51-G54 PolarHBondContact OD1-N 2.93Å; D51-F55 PolarHBondContact N-O 3.01Å; D51-F55 PolarHBondContact OD1-N 3.02Å; D51-D69 CarbonylContact C-O 3.54Å; D51-D69 VanDerWaalsContact CA-O 3.29Å; D51-D69 WeakPolarHBondContact CA-O 3.37Å; D51-D69 WeakPolarHBondContact CB-O 3.32Å; D51-R275 IonicContact OD2-CZ 3.21Å; D51-R275 IonicContact OD2-NH1 3.76Å; D51-R275 PolarHBondContact OD2-NH1 3.37Å; D51-R275 IonicContact OD2-NH2 2.74Å; D51-R275 PolarHBondContact OD2-NH2 3.21Å
52T91.1Very high93.9Very high78 Ų7853.6 Ų53.648%0.47928%0.277SS..THydrogen-bonded Turntrans-56.4-6.317348.70000115.4D69T52-D69 WeakPolarHBondContact CG2-O 3.34Å; T52-D69 PolarHBondContact N-O 3.47Å; T52-D69 PolarHBondContact OG1-O 2.95Å
53K88.4Confident93.9Very high156 Ų15656.4 Ų56.468%0.67828%0.284SS*.THydrogen-bonded Turntrans-115.212.9177.9-62.6179.4-177.9178.70112.4D51 F55D51-K53 PolarHBondContact O-N 3.42Å; D51-K53 VanDerWaalsContact OD1-CA 3.28Å; D51-K53 WeakPolarHBondContact OD1-CA 3.49Å; D51-K53 WeakPolarHBondContact OD1-CB 3.27Å; D51-K53 PolarHBondContact OD1-N 3.19Å; K53-F55 HydrophobicContact CB-CD2 3.73Å; K53-F55 HydrophobicContact CB-CE2 3.89Å; K53-F55 WeakPolarHBondContact O-CD2 3.43Å; K53-F55 WeakPolarHBondContact O-CE2 3.39Å
54G87.8Confident93.9Very high40 Ų4059.2 Ų59.241%0.41230%0.298SS..SBendtrans83.11.8175.900000115.4Q50 D51Q50-G54 VanDerWaalsContact CG-C 3.41Å; Q50-G54 WeakPolarHBondContact CG-O 3.41Å; Q50-G54 PolarHBondContact NE2-O 3.28Å; D51-G54 PolarHBondContact O-N 2.95Å; D51-G54 PolarHBondContact OD1-N 2.93Å
55F86.5Confident93.8Very high88 Ų8858.9 Ų58.939%0.38630%0.297SS..  trans-93.3133.3-174.4-62.9-79.9000112.9D51 K53 T57 R275D51-F55 PolarHBondContact N-O 3.01Å; D51-F55 PolarHBondContact OD1-N 3.02Å; K53-F55 HydrophobicContact CB-CD2 3.73Å; K53-F55 HydrophobicContact CB-CE2 3.89Å; K53-F55 WeakPolarHBondContact O-CD2 3.43Å; K53-F55 WeakPolarHBondContact O-CE2 3.39Å; F55-T57 PolarHBondContact O-OG1 3.46Å; F55-R275 VanDerWaalsContact CB-CZ 3.47Å; F55-R275 VanDerWaalsContact CD2-NH1 3.28Å
56S90.7Very high93.6Very high54 Ų5461.7 Ų61.738%0.37832%0.315SS..EExtended strand (participates in β ladder)trans-61.8133.3168.9175.10000111.7Q48 Y49Q48-S56 VanDerWaalsContact CG-OG 3.24Å; Q48-S56 WeakPolarHBondContact CG-OG 3.41Å; Q48-S56 PolarHBondContact OE1-OG 3.01Å; Y49-S56 WeakPolarHBondContact O-CA 3.32Å
57T90.9Very high93.4Very high27 Ų2764.4 Ų64.417%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-147.9142.4-170.3-48.10000111.2Q48 Y49 F55 R275Q48-T57 CarbonylContact C-O 3.58Å; Q48-T57 VanDerWaalsContact CA-O 3.31Å; Q48-T57 WeakPolarHBondContact CA-O 3.48Å; Y49-T57 VanDerWaalsContact CD1-O 3.28Å; Y49-T57 WeakPolarHBondContact CD1-O 3.44Å; Y49-T57 HydrophobicContact CE1-CG2 4Å; Y49-T57 HydrophobicContact CE2-CG2 4.33Å; Y49-T57 PolarHBondContact N-O 3.15Å; Y49-T57 PolarHBondContact O-N 2.96Å; Y49-T57 VanDerWaalsContact OH-CG2 3.25Å; Y49-T57 WeakPolarHBondContact OH-CG2 3.21Å; F55-T57 PolarHBondContact O-OG1 3.46Å; T57-R275 PolarHBondContact OG1-NH2 3.27Å
58W95.1Very high93.1Very high52 Ų5265 Ų6520%0.19734%0.34CS..EExtended strand (participates in β ladder)trans-87.1136.7171.6-63.7105.8000111.4Q48 R81 K83Q48-W58 HydrophobicContact CB-CD2 4.45Å; Q48-W58 HydrophobicContact CB-CE3 3.91Å; Q48-W58 HydrophobicContact CB-CH2 4.38Å; Q48-W58 HydrophobicContact CB-CZ3 3.88Å; W58-R81 HydrophobicContact CH2-CB 3.92Å; W58-R81 HydrophobicContact CZ3-CB 4.28Å; W58-K83 HydrophobicContact CD2-CB 4.37Å; W58-K83 HydrophobicContact CD2-CD 3.88Å; W58-K83 HydrophobicContact CD2-CG 4.09Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.32Å; W58-K83 HydrophobicContact CG-CD 4.03Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.25Å; W58-K83 HydrophobicContact CZ2-CB 3.69Å; W58-K83 HydrophobicContact CZ2-CG 3.8Å; W58-K83 HydrophobicContact CZ3-CB 3.99Å
59L96.3Very high92.9Very high14 Ų1468.1 Ų68.17%0.07336%0.358CS..PPolyproline II helixtrans-69.6134177.3-17168.8000111L29 L47 Y49 V65 F78L29-L59 HydrophobicContact CD2-CD2 3.92Å; L47-L59 HydrophobicContact CB-CB 3.99Å; L47-L59 HydrophobicContact CB-CD2 4.05Å; L47-L59 HydrophobicContact CD1-CD2 3.8Å; L47-L59 WeakPolarHBondContact O-CB 3.45Å; L47-L59 PolarHBondContact O-N 3.02Å; Y49-L59 HydrophobicContact CD1-CB 4.26Å; Y49-L59 HydrophobicContact CD1-CD1 4.47Å; Y49-L59 HydrophobicContact CE1-CB 4.15Å; Y49-L59 HydrophobicContact CE1-CD1 4.16Å; L59-V65 HydrophobicContact CD2-CG2 4.43Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.24Å
60K94.3Very high92.7Very high117 Ų11768 Ų6851%0.50936%0.359SS..PPolyproline II helixtrans-88119.8175.2-57.2-179178.8-1750109.1N62 K63 Q68K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 2.82Å; K60-K63 HydrophobicContact CB-CB 4.44Å; K60-K63 PolarHBondContact O-N 3.28Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 3.46Å
61L94.4Very high92.6Very high66 Ų6669.3 Ų69.335%0.34636%0.36SS..THydrogen-bonded Turntrans-63.5-37.8-174.8-55.1-176.3000111.8G26 K27 F30 K63G26-L61 PolarHBondContact N-O 3.45Å; K27-L61 HydrophobicContact CB-CB 3.97Å; K27-L61 WeakPolarHBondContact CB-O 3.34Å; K27-L61 HydrophobicContact CD-CB 4.4Å; K27-L61 HydrophobicContact CD-CD1 4.25Å; K27-L61 PolarHBondContact N-O 2.93Å; F30-L61 HydrophobicContact CB-CD2 3.75Å; F30-L61 HydrophobicContact CD2-CD2 4.23Å; F30-L61 HydrophobicContact CG-CD2 4.01Å; L61-K63 VanDerWaalsContact C-N 3.25Å; L61-K63 PolarHBondContact O-N 3.33Å
62N93.5Very high92.5Very high139 Ų13978 Ų7874%0.74340%0.397SS*.THydrogen-bonded Turntrans-79.513.5179.570.8-11.8000115.5K60K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 2.82Å
63K95Very high92.4Very high112 Ų11277.7 Ų77.749%0.48739%0.391SS..SBendtrans-130.1153.1176.6-68.6-158.5174.3-147.30111.9T25 G26 K60 L61 Q68T25-K63 CarbonylContact C-O 3.57Å; T25-K63 WeakPolarHBondContact CA-O 3.34Å; G26-K63 PolarHBondContact N-O 3.36Å; K60-K63 HydrophobicContact CB-CB 4.44Å; K60-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact C-N 3.25Å; L61-K63 PolarHBondContact O-N 3.33Å; K63-Q68 HydrophobicContact CB-CG 4.11Å; K63-Q68 PolarHBondContact O-NE2 2.9Å
64K96.8Very high92.5Very high111 Ų11176.8 Ų76.848%0.48339%0.393SS..BIsolated β-bridgetrans-57.5140172.7-62.5-175.7176.3175.30110.2T24 T66 A67 Q68T24-K64 CarbonylContact O-C 3.5Å; T24-K64 WeakPolarHBondContact O-CA 3.41Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.13Å; K64-A67 HydrophobicContact CB-CB 4.02Å; K64-A67 PolarHBondContact O-N 3.13Å; K64-Q68 WeakPolarHBondContact O-CG 3.41Å; K64-Q68 PolarHBondContact O-NE2 2.59Å; K64-Q68 VanDerWaalsContact O-NE2 3.11Å
65V95.8Very high92.8Very high0 Ų075.7 Ų75.70%038%0.379CS..G310 helixtrans-61.4-43179.9-179.10000110.5I20 T24 L29 L59 A67 F78I20-V65 HydrophobicContact CD1-CB 3.89Å; I20-V65 HydrophobicContact CD1-CG1 4.04Å; I20-V65 HydrophobicContact CD1-CG2 4.01Å; T24-V65 PolarHBondContact O-N 2.94Å; L29-V65 HydrophobicContact CB-CG2 4.02Å; L29-V65 HydrophobicContact CD2-CG1 4.08Å; L29-V65 HydrophobicContact CD2-CG2 3.77Å; L59-V65 HydrophobicContact CD2-CG2 4.43Å; V65-A67 PolarHBondContact O-N 2.91Å; V65-A67 VanDerWaalsContact O-N 3.17Å; V65-F78 HydrophobicContact CG1-CE1 4.4Å; V65-F78 HydrophobicContact CG1-CE2 4.29Å; V65-F78 HydrophobicContact CG1-CZ 3.58Å
66T93.4Very high93.3Very high73 Ų7372.3 Ų72.345%0.44837%0.365SS..G310 helixtrans-64.1-14.1177.650.50000114.9V5 P22 K64V5-T66 HydrophobicContact CG2-CG2 4.33Å; P22-T66 PolarHBondContact O-OG1 3Å; K64-T66 VanDerWaalsContact C-N 3.3Å; K64-T66 PolarHBondContact O-N 3.13Å
67A94.1Very high93.6Very high66 Ų6673.7 Ų73.755%0.54536%0.364SS..G310 helixtrans-109.929.2-174.900000113.1K64 V65K64-A67 HydrophobicContact CB-CB 4.02Å; K64-A67 PolarHBondContact O-N 3.13Å; V65-A67 PolarHBondContact O-N 2.91Å; V65-A67 VanDerWaalsContact O-N 3.17Å
68Q93.1Very high93.9Very high14 Ų1472.5 Ų72.57%0.06536%0.357CS..SBendtrans-132.628.6-174.5-66.8-173.670.800113.6Y49 K60 K63 K64 V70Y49-Q68 WeakPolarHBondContact CE2-O 3.45Å; Y49-Q68 PolarHBondContact OH-O 3.3Å; K60-Q68 VanDerWaalsContact CB-OE1 3.23Å; K60-Q68 PolarHBondContact O-NE2 3.46Å; K63-Q68 HydrophobicContact CB-CG 4.11Å; K63-Q68 PolarHBondContact O-NE2 2.9Å; K64-Q68 WeakPolarHBondContact O-CG 3.41Å; K64-Q68 PolarHBondContact O-NE2 2.59Å; K64-Q68 VanDerWaalsContact O-NE2 3.11Å; Q68-V70 HydrophobicContact CB-CG2 4.49Å; Q68-V70 PolarHBondContact O-N 2.7Å
69D91.4Very high94.1Very high117 Ų11774.6 Ų74.663%0.62637%0.367SS*.  trans53.625.9173.6-56.3-30.6000115.4D51 T52D51-D69 CarbonylContact C-O 3.54Å; D51-D69 VanDerWaalsContact CA-O 3.29Å; D51-D69 WeakPolarHBondContact CA-O 3.37Å; D51-D69 WeakPolarHBondContact CB-O 3.32Å; T52-D69 WeakPolarHBondContact CG2-O 3.34Å; T52-D69 PolarHBondContact N-O 3.47Å; T52-D69 PolarHBondContact OG1-O 2.95Å
70V93.1Very high94.2Very high15 Ų1574 Ų749%0.09136%0.364CS..BIsolated β-bridgetrans-56137.2174.1-171.10000109.5Y49 Q68 K72 L76 F78Y49-V70 HydrophobicContact CD2-CB 4.04Å; Y49-V70 HydrophobicContact CD2-CG1 3.93Å; Y49-V70 HydrophobicContact CD2-CG2 3.8Å; Y49-V70 HydrophobicContact CE2-CB 4.31Å; Y49-V70 HydrophobicContact CE2-CG2 3.84Å; Y49-V70 HydrophobicContact CG-CG1 4.33Å; Y49-V70 HydrophobicContact CG-CG2 4.27Å; Q68-V70 HydrophobicContact CB-CG2 4.49Å; Q68-V70 PolarHBondContact O-N 2.7Å; V70-K72 PolarHBondContact O-N 3.17Å; V70-L76 HydrophobicContact CG1-CD2 4.1Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.38Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å
71R92.4Very high94.4Very high106 Ų10669.3 Ų69.340%0.434%0.343SS..  trans-54.3128.5176.1-177.9171.9160.7162.8-5.6110Q50 E73 L76Q50-R71 WeakPolarHBondContact O-CB 3.42Å; Q50-R71 PolarHBondContact O-N 3.34Å; Q50-R71 VanDerWaalsContact OE1-CD 3.27Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 WeakPolarHBondContact CD-OE2 3.4Å; R71-E73 HydrophobicContact CG-CG 4.24Å; R71-E73 IonicContact CZ-OE1 3.8Å; R71-E73 IonicContact NE-OE1 3.4Å; R71-E73 PolarHBondContact NE-OE1 3.44Å; R71-E73 IonicContact NE-OE2 2.67Å; R71-E73 PolarHBondContact NE-OE2 2.84Å; R71-E73 IonicContact NH2-OE1 2.79Å; R71-E73 PolarHBondContact NH2-OE1 3.48Å; R71-E73 PolarHBondContact O-N 3.48Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.38Å
72K87.9Confident94.6Very high192 Ų19266.4 Ų66.484%0.83533%0.328SS*.  trans-8175.9-168.5-68.1-175.7179.5178.50111.8V70V70-K72 PolarHBondContact O-N 3.17Å
73E90.3Very high94.7Very high73 Ų7361.5 Ų61.534%0.34130%0.3SS..  trans-112.7169.7176.9-73.6167.4152.700111R71 P75 L76 F77R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 WeakPolarHBondContact CD-OE2 3.4Å; R71-E73 HydrophobicContact CG-CG 4.24Å; R71-E73 IonicContact CZ-OE1 3.8Å; R71-E73 IonicContact NE-OE1 3.4Å; R71-E73 PolarHBondContact NE-OE1 3.44Å; R71-E73 IonicContact NE-OE2 2.67Å; R71-E73 PolarHBondContact NE-OE2 2.84Å; R71-E73 IonicContact NH2-OE1 2.79Å; R71-E73 PolarHBondContact NH2-OE1 3.48Å; R71-E73 PolarHBondContact O-N 3.48Å; E73-P75 CarbonylContact C-O 3.54Å; E73-P75 WeakPolarHBondContact CB-O 3.42Å; E73-P75 CarbonylContact O-C 3.59Å; E73-L76 WeakPolarHBondContact O-CD2 3.45Å; E73-F77 HydrophobicContact CB-CD2 4.2Å; E73-F77 HydrophobicContact CB-CE2 4.23Å
74N90.3Very high94.9Very high137 Ų13757.1 Ų57.173%0.73328%0.282SS*.SBendtrans-136.8105176.4-178.763.8000109
75P94Very high94.9Very high16 Ų1653.1 Ų53.110%0.10426%0.264CS..SBendcis-67.3165.51.429.6-36.1000114.1S6 R8 E73 F77S6-P75 WeakPolarHBondContact O-CA 3.46Å; R8-P75 HydrophobicContact CB-CB 4.03Å; R8-P75 HydrophobicContact CB-CG 3.75Å; E73-P75 CarbonylContact C-O 3.54Å; E73-P75 WeakPolarHBondContact CB-O 3.42Å; E73-P75 CarbonylContact O-C 3.59Å; P75-F77 HydrophobicContact CG-CE1 4.2Å; P75-F77 HydrophobicContact CG-CE2 4.26Å; P75-F77 HydrophobicContact CG-CZ 3.91Å; P75-F77 VanDerWaalsContact O-CD2 3.27Å; P75-F77 WeakPolarHBondContact O-CD2 3.26Å; P75-F77 VanDerWaalsContact O-CE2 3.27Å; P75-F77 WeakPolarHBondContact O-CE2 2.97Å
76L96.4Very high95Very high17 Ų1753.3 Ų53.39%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-73127.3161.9-64.4-179.6000109.3V5 S6 V7 R8 V70 R71 E73 F78V5-L76 HydrophobicContact CG1-CD1 3.56Å; V5-L76 HydrophobicContact CG1-CG 3.95Å; S6-L76 PolarHBondContact O-N 3.14Å; V7-L76 WeakPolarHBondContact CA-O 3.44Å; V7-L76 HydrophobicContact CG2-CB 4.44Å; R8-L76 PolarHBondContact N-O 3.04Å; V70-L76 HydrophobicContact CG1-CD2 4.1Å; R71-L76 VanDerWaalsContact O-CD2 3.3Å; R71-L76 WeakPolarHBondContact O-CD2 3.38Å; E73-L76 WeakPolarHBondContact O-CD2 3.45Å; L76-F78 HydrophobicContact CB-CE2 3.8Å; L76-F78 HydrophobicContact CB-CZ 4.47Å
77F96.9Very high95.1Very high83 Ų8350.7 Ų50.736%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-94.3130.4-176.4-67.1-88.8000113R8 E73 P75R8-F77 HydrophobicContact CB-CD1 4.26Å; R8-F77 HydrophobicContact CB-CE1 4.42Å; E73-F77 HydrophobicContact CB-CD2 4.2Å; E73-F77 HydrophobicContact CB-CE2 4.23Å; P75-F77 HydrophobicContact CG-CE1 4.2Å; P75-F77 HydrophobicContact CG-CE2 4.26Å; P75-F77 HydrophobicContact CG-CZ 3.91Å; P75-F77 VanDerWaalsContact O-CD2 3.27Å; P75-F77 WeakPolarHBondContact O-CD2 3.26Å; P75-F77 VanDerWaalsContact O-CE2 3.27Å; P75-F77 WeakPolarHBondContact O-CE2 2.97Å
78F98.3Very high95.2Very high2 Ų248.8 Ų48.81%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-130.1145.2170.1-58.6-94.3000110.8V7 R8 V9 I10 L29 L47 Q48 Y49 L59 V65 V70 L76V7-F78 HydrophobicContact CG1-CD2 3.6Å; V7-F78 HydrophobicContact CG1-CE2 3.72Å; R8-F78 PolarHBondContact O-N 2.93Å; V9-F78 WeakPolarHBondContact CA-O 3.49Å; V9-F78 HydrophobicContact CG2-CB 4.33Å; I10-F78 PolarHBondContact N-O 2.88Å; L29-F78 HydrophobicContact CD2-CD2 4.3Å; L29-F78 HydrophobicContact CD2-CE1 4.48Å; L29-F78 HydrophobicContact CD2-CE2 4.03Å; L29-F78 HydrophobicContact CD2-CZ 4.14Å; L47-F78 HydrophobicContact CB-CB 4.49Å; L47-F78 HydrophobicContact CB-CD1 4.19Å; L47-F78 HydrophobicContact CD2-CB 4.11Å; Q48-F78 CarbonylContact O-C 3.51Å; Q48-F78 VanDerWaalsContact O-CA 3.28Å; Q48-F78 WeakPolarHBondContact O-CA 3.21Å; Y49-F78 HydrophobicContact CD1-CD1 4.2Å; Y49-F78 AromaticContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CD1-CE1 3.95Å; Y49-F78 HydrophobicContact CG-CD1 4.28Å; Y49-F78 AromaticContact CG-CE1 3.99Å; Y49-F78 HydrophobicContact CG-CE1 3.99Å; L59-F78 HydrophobicContact CD1-CE1 4.14Å; L59-F78 HydrophobicContact CD2-CE1 4.24Å; V65-F78 HydrophobicContact CG1-CE1 4.4Å; V65-F78 HydrophobicContact CG1-CE2 4.29Å; V65-F78 HydrophobicContact CG1-CZ 3.58Å; V70-F78 HydrophobicContact CG1-CE1 4.45Å; V70-F78 HydrophobicContact CG1-CZ 4.04Å; V70-F78 HydrophobicContact CG2-CE1 4.38Å; V70-F78 HydrophobicContact CG2-CZ 4.2Å; L76-F78 HydrophobicContact CB-CE2 3.8Å; L76-F78 HydrophobicContact CB-CZ 4.47Å
79K98.4Very high95.4Very high96 Ų9648.1 Ų48.142%0.41723%0.226SC..EExtended strand (participates in β ladder)trans-102.1123.7164.5-65.4-168.5173.9-164.10109.3I10 Q48 R81I10-K79 CarbonylContact O-C 3.53Å; I10-K79 WeakPolarHBondContact O-CA 3.4Å; Q48-K79 HydrophobicContact CB-CB 4.47Å; Q48-K79 PolarHBondContact N-O 2.71Å; Q48-K79 PolarHBondContact O-N 3.42Å; K79-R81 HydrophobicContact CB-CG 4.08Å
80F98.6Very high95.5Very high2 Ų245.5 Ų45.51%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-81.5120.8165.9-174.1-94.7000108V9 I10 T11 F30 V33 V34 I37 F45 L47 L101V9-F80 HydrophobicContact CG1-CB 3.91Å; I10-F80 PolarHBondContact O-N 2.88Å; T11-F80 HydrophobicContact CG2-CB 4.13Å; T11-F80 HydrophobicContact CG2-CD1 4.27Å; T11-F80 HydrophobicContact CG2-CG 4.47Å; F30-F80 HydrophobicContact CD2-CE2 4.18Å; F30-F80 HydrophobicContact CE2-CD2 4.46Å; F30-F80 AromaticContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CE2-CE2 3.67Å; F30-F80 HydrophobicContact CZ-CE2 4.18Å; V33-F80 HydrophobicContact CG1-CB 4.4Å; V33-F80 HydrophobicContact CG1-CD2 3.66Å; V33-F80 HydrophobicContact CG1-CE2 4.07Å; V33-F80 HydrophobicContact CG1-CG 4.06Å; V34-F80 HydrophobicContact CG1-CE2 3.57Å; V34-F80 HydrophobicContact CG1-CZ 3.66Å; I37-F80 HydrophobicContact CD1-CD1 4.31Å; I37-F80 HydrophobicContact CD1-CE1 3.84Å; I37-F80 HydrophobicContact CD1-CZ 4.18Å; F45-F80 HydrophobicContact CB-CE1 3.94Å; F45-F80 HydrophobicContact CB-CE2 3.8Å; F45-F80 HydrophobicContact CB-CZ 3.38Å; F45-F80 HydrophobicContact CD1-CD1 4.05Å; F45-F80 AromaticContact CD1-CE1 3.34Å; F45-F80 HydrophobicContact CD1-CE1 3.34Å; F45-F80 AromaticContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD1-CZ 3.72Å; F45-F80 HydrophobicContact CD2-CE1 4.4Å; F45-F80 HydrophobicContact CD2-CZ 4.17Å; F45-F80 AromaticContact CE1-CE1 3.94Å; F45-F80 HydrophobicContact CE1-CE1 3.94Å; F45-F80 AromaticContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE1 3.63Å; F45-F80 HydrophobicContact CG-CE2 4.37Å; F45-F80 AromaticContact CG-CZ 3.48Å; F45-F80 HydrophobicContact CG-CZ 3.48Å; F45-F80 VanDerWaalsContact CG-CZ 3.48Å; L47-F80 HydrophobicContact CD2-CB 4.09Å; L47-F80 HydrophobicContact CD2-CD2 3.99Å; F80-L101 HydrophobicContact CD1-CD1 4.24Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å
81R98.3Very high95.5Very high19 Ų1951.1 Ų51.17%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-148149.7-172.7-72.1-66.5-177.3-83.517.7110.4I10 T11 M12 F45 G46 W58 K79 K83 Q105 E108I10-R81 PolarHBondContact O-NH1 3.44Å; T11-R81 PolarHBondContact O-NH1 2.92Å; T11-R81 PolarHBondContact O-NH2 3.33Å; M12-R81 PolarHBondContact SD-NE 3.32Å; M12-R81 PolarHBondContact SD-NH2 3.17Å; F45-R81 WeakPolarHBondContact CA-O 3.29Å; G46-R81 PolarHBondContact N-O 2.98Å; G46-R81 PolarHBondContact O-N 3.25Å; G46-R81 VanDerWaalsContact O-N 3.12Å; W58-R81 HydrophobicContact CH2-CB 3.92Å; W58-R81 HydrophobicContact CZ3-CB 4.28Å; K79-R81 HydrophobicContact CB-CG 4.08Å; R81-K83 PolarHBondContact O-N 3.34Å; R81-Q105 VanDerWaalsContact CA-OE1 3.32Å; R81-E108 IonicContact CZ-OE2 2.74Å; R81-E108 IonicContact NE-OE2 2.87Å; R81-E108 PolarHBondContact NE-OE2 2.9Å; R81-E108 IonicContact NH2-OE1 2.98Å; R81-E108 IonicContact NH2-OE2 3.92Å; R81-E108 PolarHBondContact NH2-OE2 3.41Å
82A97.9Very high95.6Very high4 Ų447.4 Ų47.43%0.03323%0.226CC..EExtended strand (participates in β ladder)trans-63.1125.4165.900000109F45 F102 Q105F45-A82 HydrophobicContact CD1-CB 4.24Å; F45-A82 HydrophobicContact CE1-CB 4.07Å; A82-F102 HydrophobicContact CB-CD1 4.21Å; A82-F102 HydrophobicContact CB-CE1 3.66Å; A82-F102 HydrophobicContact CB-CE2 4.36Å; A82-F102 HydrophobicContact CB-CZ 3.77Å; A82-Q105 PolarHBondContact O-NE2 3.41Å
83K96.6Very high96.1Very high36 Ų3638.5 Ų38.516%0.15719%0.188CC..SBendtrans-99.8-33.4177.1177.1-179.1172.8-125.20111.2Y44 W58 R81 A282 L283Y44-K83 PolarHBondContact O-N 3.05Å; W58-K83 HydrophobicContact CD2-CB 4.37Å; W58-K83 HydrophobicContact CD2-CD 3.88Å; W58-K83 HydrophobicContact CD2-CG 4.09Å; W58-K83 HydrophobicContact CE3-CB 4.33Å; W58-K83 HydrophobicContact CE3-CD 4.32Å; W58-K83 HydrophobicContact CG-CD 4.03Å; W58-K83 HydrophobicContact CH2-CB 3.65Å; W58-K83 HydrophobicContact CH2-CG 4.25Å; W58-K83 HydrophobicContact CZ2-CB 3.69Å; W58-K83 HydrophobicContact CZ2-CG 3.8Å; W58-K83 HydrophobicContact CZ3-CB 3.99Å; R81-K83 PolarHBondContact O-N 3.34Å; K83-A282 PolarHBondContact NZ-O 2.92Å; K83-L283 HydrophobicContact CG-CD2 4.13Å
84F98.1Very high96.3Very high21 Ų2135.9 Ų35.99%0.09218%0.176CC..SBendtrans-121.3150.7177.4-55-72000108.9W43 Y44 F102 L283 N287 L290W43-F84 WeakPolarHBondContact O-CD2 3.27Å; Y44-F84 PolarHBondContact O-N 2.94Å; F84-F102 WeakPolarHBondContact O-CZ 3.34Å; F84-L283 HydrophobicContact CD1-CD2 4.44Å; F84-L283 HydrophobicContact CE1-CD2 4.12Å; F84-N287 WeakPolarHBondContact CD1-OD1 3.4Å; F84-L290 HydrophobicContact CB-CD1 3.67Å; F84-L290 HydrophobicContact CD2-CD1 4.3Å; F84-L290 HydrophobicContact CG-CD1 4.01Å
85F98.3Very high96.6Very high26 Ų2631.2 Ų31.211%0.11415%0.15CC..  trans-112156.1-179-74.7-102.6000110.1F102 V106 Y201 R294F85-F102 HydrophobicContact CD1-CD1 4.12Å; F85-F102 AromaticContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.03Å; F85-F102 HydrophobicContact CG-CE1 4.13Å; F85-V106 HydrophobicContact CE1-CG2 4.02Å; F85-Y201 AromaticContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; F85-R294 PolarHBondContact O-NH2 2.6Å
86P97.4Very high96.6Very high4 Ų432.5 Ų32.53%0.02616%0.156CC..  trans-61.4159.7166.129-35.7000111V89 E92 L93P86-V89 HydrophobicContact CG-CB 4.38Å; P86-V89 HydrophobicContact CG-CG1 3.67Å; P86-E92 WeakPolarHBondContact CA-OE2 3.49Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.25Å; P86-L93 HydrophobicContact CB-CD2 4.36Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.24Å
87E95.2Very high96.6Very high19 Ų1932.5 Ų32.59%0.08916%0.158CC..SBendtrans-72.5-55158.4-75.6170.9-124.300108.8E92 A222 L223 Y291 R294 R295 R510E87-E92 WeakPolarHBondContact CA-OE1 3.46Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 2.79Å; E87-A222 HydrophobicContact CG-CB 3.89Å; E87-L223 HydrophobicContact CB-CD2 4.24Å; E87-L223 HydrophobicContact CG-CD2 3.77Å; E87-L223 HydrophobicContact CG-CG 4.45Å; E87-Y291 WeakPolarHBondContact OE1-CA 3.25Å; E87-Y291 VanDerWaalsContact OE1-CD2 3.31Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.29Å; E87-R294 VanDerWaalsContact CD-CD 3.49Å; E87-R294 WeakPolarHBondContact OE1-CD 3.46Å; E87-R294 IonicContact OE1-CZ 3.72Å; E87-R294 IonicContact OE1-NE 3.35Å; E87-R294 PolarHBondContact OE1-NE 2.97Å; E87-R294 IonicContact OE1-NH1 3.18Å; E87-R294 PolarHBondContact OE1-NH1 3.37Å; E87-R295 IonicContact OE1-NH1 3.57Å; E87-R295 PolarHBondContact OE1-NH1 3.42Å; E87-R295 IonicContact OE2-CZ 2.73Å; E87-R295 IonicContact OE2-NH1 3.56Å; E87-R295 PolarHBondContact OE2-NH1 3.02Å; E87-R295 VanDerWaalsContact OE2-NH1 3.11Å; E87-R295 IonicContact OE2-NH2 3.54Å; E87-R295 PolarHBondContact OE2-NH2 3.05Å; E87-R510 PolarHBondContact O-NH1 3.31Å; E87-R510 PolarHBondContact O-NH2 2.97Å
88D96.3Very high96.6Very high26 Ų2628.6 Ų28.614%0.13914%0.141CC..  trans-121.4122.7168.8-156.1-58.7000113T90 E91 E92 Q196 R510D88-T90 PolarHBondContact O-N 2.76Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CB 3.49Å; D88-T90 PolarHBondContact OD1-N 2.97Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å; D88-E91 PolarHBondContact O-N 2.78Å; D88-E92 PolarHBondContact N-OE1 3.28Å; D88-E92 VanDerWaalsContact N-OE1 3.15Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 3Å; D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD2-NE2 3.26Å; D88-R510 IonicContact OD2-CZ 2.73Å; D88-R510 IonicContact OD2-NE 3.69Å; D88-R510 PolarHBondContact OD2-NE 2.97Å; D88-R510 IonicContact OD2-NH2 3.54Å; D88-R510 PolarHBondContact OD2-NH2 3.47Å
89V97.3Very high96.6Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-58.1-28.5-179.7-60.40000113.2P86 L93 M189 L192 K193 Q196 Y201P86-V89 HydrophobicContact CG-CB 4.38Å; P86-V89 HydrophobicContact CG-CG1 3.67Å; V89-L93 HydrophobicContact CB-CD1 3.96Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 3.49Å; V89-M189 HydrophobicContact CB-SD 4.26Å; V89-M189 HydrophobicContact CG2-SD 3.86Å; V89-M189 WeakPolarHBondContact O-CE 3.39Å; V89-L192 HydrophobicContact CB-CB 4.23Å; V89-L192 HydrophobicContact CG1-CB 4.16Å; V89-L192 HydrophobicContact CG2-CB 4.05Å; V89-K193 HydrophobicContact CG2-CG 3.97Å; V89-Q196 HydrophobicContact CG1-CB 4.31Å; V89-Q196 HydrophobicContact CG2-CG 4.48Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.35Å
90T93.7Very high96.6Very high61 Ų6129 Ų2937%0.37414%0.141SC..Hα-helixtrans-75.3-35.9-173.6-36.80000112.3D88D88-T90 PolarHBondContact O-N 2.76Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CB 3.49Å; D88-T90 PolarHBondContact OD1-N 2.97Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å
91E92Very high96.5Very high133 Ų13329.1 Ų29.162%0.62114%0.142SC*.Hα-helixtrans-94.7-19.8-175-60.6-58.113900113.1D88 K306D88-E91 PolarHBondContact O-N 2.78Å; E91-K306 PolarHBondContact O-NZ 3.45Å
92E95.8Very high96.6Very high28 Ų2828.2 Ų28.213%0.13114%0.138CC..Hα-helixtrans-114.7-18.6-166.7-77.9-174.8-117.200116.6Y44 P86 E87 D88 R294Y44-E92 WeakPolarHBondContact OH-CB 3.48Å; Y44-E92 PolarHBondContact OH-O 3.06Å; P86-E92 WeakPolarHBondContact CA-OE2 3.49Å; P86-E92 HydrophobicContact CB-CB 3.69Å; P86-E92 HydrophobicContact CB-CG 4.25Å; E87-E92 WeakPolarHBondContact CA-OE1 3.46Å; E87-E92 WeakPolarHBondContact CB-OE1 3.36Å; E87-E92 PolarHBondContact N-OE1 2.79Å; D88-E92 PolarHBondContact N-OE1 3.28Å; D88-E92 VanDerWaalsContact N-OE1 3.15Å; D88-E92 WeakPolarHBondContact O-CB 3.34Å; D88-E92 PolarHBondContact O-N 3Å; E92-R294 IonicContact OE1-CZ 2.64Å; E92-R294 IonicContact OE1-NE 3.56Å; E92-R294 PolarHBondContact OE1-NE 2.93Å; E92-R294 IonicContact OE1-NH2 3.23Å; E92-R294 IonicContact OE2-CZ 2.76Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.22Å; E92-R294 IonicContact OE2-NH2 2.73Å; E92-R294 PolarHBondContact OE2-NH2 3.12Å
93L97.5Very high96.6Very high6 Ų628.5 Ų28.53%0.03114%0.139CC..  trans-100.799.2-178.4-57-173.6000110.4Y44 P86 V89 T98 Q99 F102 M189 L192Y44-L93 HydrophobicContact CD2-CD2 4.32Å; Y44-L93 HydrophobicContact CE2-CD2 3.76Å; P86-L93 HydrophobicContact CB-CD2 4.36Å; P86-L93 HydrophobicContact CG-CD1 4.43Å; P86-L93 HydrophobicContact CG-CD2 4.04Å; P86-L93 HydrophobicContact CG-CG 4.24Å; V89-L93 HydrophobicContact CB-CD1 3.96Å; V89-L93 HydrophobicContact CB-CG 4.4Å; V89-L93 HydrophobicContact CG1-CD1 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.33Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 3.49Å; L93-T98 HydrophobicContact CD2-CG2 4Å; L93-Q99 HydrophobicContact CB-CG 3.77Å; L93-Q99 PolarHBondContact O-NE2 3.29Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4.01Å; L93-F102 HydrophobicContact CD1-CG 4.08Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CG 4.5Å; L93-F102 HydrophobicContact CD2-CZ 4.31Å; L93-M189 HydrophobicContact CB-CE 4.38Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å
94I96.1Very high96.7Very high18 Ų1828.7 Ų28.79%0.09214%0.141CC..  trans-87.9-46.3-162.8-56.3163.5000112.1E41 V302 M305 K306 A309E41-I94 PolarHBondContact OE1-N 2.76Å; E41-I94 PolarHBondContact OE2-N 3.24Å; I94-V302 HydrophobicContact CD1-CG1 3.84Å; I94-M305 HydrophobicContact CD1-CB 4.42Å; I94-M305 HydrophobicContact CD1-CE 4.2Å; I94-M305 HydrophobicContact CG2-CB 4.05Å; I94-M305 WeakPolarHBondContact CG2-O 3.17Å; I94-K306 HydrophobicContact CD1-CG 3.93Å; I94-K306 HydrophobicContact CG1-CG 3.92Å; I94-K306 HydrophobicContact CG2-CG 4.05Å; I94-A309 HydrophobicContact CG2-CB 3.75Å; I94-A309 WeakPolarHBondContact O-CB 3.33Å
95Q95.1Very high96.7Very high38 Ų3829 Ų2918%0.17814%0.143CC..SBendtrans-95.7141.8-175.3-57.2-178.1-90.200112.3G38 E41 A97 T98 Q99G38-Q95 PolarHBondContact O-NE2 2.98Å; E41-Q95 WeakPolarHBondContact OE2-CB 3.26Å; E41-Q95 WeakPolarHBondContact OE2-CG 3.46Å; E41-Q95 PolarHBondContact OE2-N 2.86Å; Q95-A97 PolarHBondContact O-N 3.09Å; Q95-A97 VanDerWaalsContact O-N 3.13Å; Q95-T98 WeakPolarHBondContact O-CA 3.12Å; Q95-T98 WeakPolarHBondContact O-CB 3.01Å; Q95-T98 PolarHBondContact O-N 3.5Å; Q95-Q99 PolarHBondContact O-N 2.99Å
96D94.5Very high96.8Very high43 Ų4327.9 Ų27.923%0.2314%0.138CC..Hα-helixtrans-53.3-35173.1-61-14.8000112.9R100 E185 K316D96-R100 WeakPolarHBondContact O-CB 3.22Å; D96-R100 PolarHBondContact O-N 2.94Å; D96-E185 HydrophobicContact CB-CG 4.15Å; D96-K316 IonicContact OD2-NZ 2.73Å; D96-K316 PolarHBondContact OD2-NZ 3.34Å
97A95.5Very high96.8Very high18 Ų1829.9 Ų29.915%0.14915%0.147CC..Hα-helixtrans-64.6-42.617600000112.3Q95 L101Q95-A97 PolarHBondContact O-N 3.09Å; Q95-A97 VanDerWaalsContact O-N 3.13Å; A97-L101 WeakPolarHBondContact O-CG 3.48Å; A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.11Å
98T97.6Very high97Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-66.1-49.3175.9-56.10000110.7E41 Y44 F45 L93 Q95 R100 L101 F102E41-T98 HydrophobicContact CB-CG2 4.12Å; E41-T98 VanDerWaalsContact CD-OG1 3.31Å; E41-T98 WeakPolarHBondContact OE2-CB 3.27Å; E41-T98 WeakPolarHBondContact OE2-CG2 3.39Å; E41-T98 PolarHBondContact OE2-OG1 3.42Å; Y44-T98 HydrophobicContact CD2-CG2 4.1Å; Y44-T98 HydrophobicContact CE2-CG2 4.29Å; F45-T98 HydrophobicContact CE2-CG2 4.02Å; F45-T98 HydrophobicContact CZ-CG2 4.14Å; L93-T98 HydrophobicContact CD2-CG2 4Å; Q95-T98 WeakPolarHBondContact O-CA 3.12Å; Q95-T98 WeakPolarHBondContact O-CB 3.01Å; Q95-T98 PolarHBondContact O-N 3.5Å; T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.5Å; T98-L101 PolarHBondContact O-N 3.45Å; T98-F102 HydrophobicContact CG2-CD2 3.9Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.42Å; T98-F102 PolarHBondContact O-N 3.41Å
99Q97.8Very high97.1Very high23 Ų2332 Ų3211%0.10716%0.159CC..Hα-helixtrans-56.7-46.4177.4-67.3175.916.900111.1L93 Q95 L101 F102 F103 M189L93-Q99 HydrophobicContact CB-CG 3.77Å; L93-Q99 PolarHBondContact O-NE2 3.29Å; Q95-Q99 PolarHBondContact O-N 2.99Å; Q99-L101 PolarHBondContact O-N 3.36Å; Q99-F102 PolarHBondContact O-N 3.41Å; Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; Q99-M189 HydrophobicContact CG-CE 3.86Å
100R98.1Very high97.1Very high84 Ų8432.2 Ų32.232%0.31716%0.16SC..Hα-helixtrans-59.7-44.2177.1-173.3173.876.6-128.65.1112.7D13 D96 T98 L104 M188D13-R100 IonicContact OD2-CZ 3.1Å; D13-R100 IonicContact OD2-NE 3.09Å; D13-R100 PolarHBondContact OD2-NE 2.92Å; D13-R100 IonicContact OD2-NH2 3.21Å; D13-R100 PolarHBondContact OD2-NH2 3.49Å; D96-R100 WeakPolarHBondContact O-CB 3.22Å; D96-R100 PolarHBondContact O-N 2.94Å; T98-R100 VanDerWaalsContact C-N 3.33Å; T98-R100 PolarHBondContact O-N 3.5Å; R100-L104 HydrophobicContact CG-CD1 4.07Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.47Å; R100-M188 HydrophobicContact CB-CE 4.01Å; R100-M188 HydrophobicContact CB-SD 3.96Å; R100-M188 HydrophobicContact CG-CE 4.36Å; R100-M188 HydrophobicContact CG-SD 3.89Å
101L98.5Very high97.4Very high5 Ų530.3 Ų30.33%0.02615%0.148CC..Hα-helixtrans-68.1-39178.6-71.3178.9000112.5M12 D13 I37 L39 F45 F80 A97 T98 Q99 Q105M12-L101 HydrophobicContact CB-CD2 3.8Å; M12-L101 HydrophobicContact CG-CD2 4.06Å; D13-L101 WeakPolarHBondContact OD1-CD2 3.28Å; I37-L101 HydrophobicContact CD1-CD1 4.07Å; L39-L101 HydrophobicContact CD1-CD1 3.78Å; F45-L101 HydrophobicContact CE1-CB 4.03Å; F45-L101 HydrophobicContact CE1-CD1 4.08Å; F45-L101 HydrophobicContact CZ-CB 4.2Å; F45-L101 HydrophobicContact CZ-CD1 4.29Å; F80-L101 HydrophobicContact CD1-CD1 4.24Å; F80-L101 HydrophobicContact CE1-CD1 3.83Å; A97-L101 WeakPolarHBondContact O-CG 3.48Å; A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.11Å; T98-L101 PolarHBondContact O-N 3.45Å; Q99-L101 PolarHBondContact O-N 3.36Å; L101-Q105 WeakPolarHBondContact O-CB 3.38Å; L101-Q105 PolarHBondContact O-N 3.34Å
102F98.8Very high97.6Very high0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-64.2-50172.7-93-79.2000111.7Y44 F45 A82 F84 F85 L93 T98 Q99 L104 Q105 V106 L192Y44-F102 HydrophobicContact CD1-CE2 4.37Å; Y44-F102 HydrophobicContact CD1-CZ 4.04Å; Y44-F102 AromaticContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CE2 3.74Å; Y44-F102 HydrophobicContact CD2-CZ 4.23Å; Y44-F102 HydrophobicContact CE2-CE2 4.43Å; Y44-F102 AromaticContact CG-CE2 3.71Å; Y44-F102 HydrophobicContact CG-CE2 3.71Å; Y44-F102 AromaticContact CG-CZ 3.73Å; Y44-F102 HydrophobicContact CG-CZ 3.73Å; F45-F102 HydrophobicContact CE2-CE2 4.37Å; F45-F102 HydrophobicContact CZ-CD2 4.13Å; F45-F102 AromaticContact CZ-CE2 3.97Å; F45-F102 HydrophobicContact CZ-CE2 3.97Å; A82-F102 HydrophobicContact CB-CD1 4.21Å; A82-F102 HydrophobicContact CB-CE1 3.66Å; A82-F102 HydrophobicContact CB-CE2 4.36Å; A82-F102 HydrophobicContact CB-CZ 3.77Å; F84-F102 WeakPolarHBondContact O-CZ 3.34Å; F85-F102 HydrophobicContact CD1-CD1 4.12Å; F85-F102 AromaticContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CD1-CE1 3.68Å; F85-F102 HydrophobicContact CE1-CD1 4.18Å; F85-F102 HydrophobicContact CE1-CE1 4.03Å; F85-F102 HydrophobicContact CG-CE1 4.13Å; L93-F102 HydrophobicContact CD1-CB 4.11Å; L93-F102 HydrophobicContact CD1-CD2 4.01Å; L93-F102 HydrophobicContact CD1-CG 4.08Å; L93-F102 HydrophobicContact CD2-CD2 3.75Å; L93-F102 HydrophobicContact CD2-CE2 3.64Å; L93-F102 HydrophobicContact CD2-CG 4.5Å; L93-F102 HydrophobicContact CD2-CZ 4.31Å; T98-F102 HydrophobicContact CG2-CD2 3.9Å; T98-F102 HydrophobicContact CG2-CE2 4.03Å; T98-F102 WeakPolarHBondContact O-CD2 3.42Å; T98-F102 PolarHBondContact O-N 3.41Å; Q99-F102 PolarHBondContact O-N 3.41Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 3.3Å; F102-Q105 PolarHBondContact O-N 2.81Å; F102-V106 WeakPolarHBondContact O-CB 3.42Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.37Å; F102-V106 PolarHBondContact O-N 3.29Å; F102-L192 HydrophobicContact CB-CD1 3.92Å; F102-L192 HydrophobicContact CB-CD2 4.24Å
103F98.8Very high97.7Very high10 Ų1030.1 Ų30.14%0.04415%0.151CC..Hα-helixtrans-52.7-51.5177.4159.6-104.3000111.3Q99 Q105 V106 K107 A129 A132 M188 Y191 L192Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.45Å; Q99-F103 PolarHBondContact O-N 3.32Å; F103-Q105 PolarHBondContact O-N 3.39Å; F103-V106 PolarHBondContact O-N 3.03Å; F103-K107 HydrophobicContact CE2-CD 4.43Å; F103-K107 HydrophobicContact CZ-CD 4.11Å; F103-K107 VanDerWaalsContact O-CB 3.24Å; F103-K107 WeakPolarHBondContact O-CB 3.34Å; F103-K107 PolarHBondContact O-N 3.37Å; F103-A129 HydrophobicContact CE2-CB 4.33Å; F103-A129 HydrophobicContact CZ-CB 4.14Å; F103-A132 HydrophobicContact CE1-CB 4.34Å; F103-A132 HydrophobicContact CE2-CB 4.45Å; F103-A132 HydrophobicContact CZ-CB 3.92Å; F103-M188 HydrophobicContact CB-CB 3.98Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.28Å; F103-M188 HydrophobicContact CD1-CG 3.56Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.14Å; F103-M188 HydrophobicContact CD2-CG 4.06Å; F103-M188 HydrophobicContact CE1-CG 3.88Å; F103-M188 HydrophobicContact CE1-SD 4.07Å; F103-M188 HydrophobicContact CE2-CG 4.34Å; F103-M188 HydrophobicContact CG-CB 3.88Å; F103-M188 HydrophobicContact CG-CG 3.66Å; F103-M188 HydrophobicContact CG-SD 4.08Å; F103-M188 HydrophobicContact CZ-CG 4.26Å; F103-Y191 AromaticContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD2 4.13Å; F103-Y191 HydrophobicContact CD2-CE1 4.34Å; F103-Y191 AromaticContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CE2-CD1 4.05Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.14Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; F103-L192 HydrophobicContact CB-CD1 4.18Å; F103-L192 HydrophobicContact CB-CG 4.28Å
104L98.6Very high97.7Very high39 Ų3934.9 Ų34.920%0.20418%0.177CC..Hα-helixtrans-65.2-40.3-179.9-68.3172.1000112.5M12 D13 R100 F102 K107 E108M12-L104 HydrophobicContact CB-CB 3.55Å; M12-L104 HydrophobicContact CB-CD1 3.73Å; M12-L104 HydrophobicContact CB-CG 4.3Å; M12-L104 HydrophobicContact CE-CB 4.06Å; M12-L104 HydrophobicContact CG-CB 3.9Å; D13-L104 HydrophobicContact CB-CD1 3.91Å; R100-L104 HydrophobicContact CG-CD1 4.07Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.47Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 3.3Å; L104-K107 PolarHBondContact O-N 2.92Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.91Å
105Q98.7Very high97.8Very high28 Ų2834.7 Ų34.713%0.13118%0.176CC..Hα-helixtrans-69.1-39.1179.4-175.2175-49.200112.3M12 R81 A82 L101 F102 F103 E108 A109M12-Q105 HydrophobicContact CE-CB 4.48Å; M12-Q105 HydrophobicContact CG-CB 4.11Å; M12-Q105 HydrophobicContact SD-CB 3.76Å; M12-Q105 HydrophobicContact SD-CG 4.24Å; R81-Q105 VanDerWaalsContact CA-OE1 3.32Å; A82-Q105 PolarHBondContact O-NE2 3.41Å; L101-Q105 WeakPolarHBondContact O-CB 3.38Å; L101-Q105 PolarHBondContact O-N 3.34Å; F102-Q105 PolarHBondContact O-N 2.81Å; F103-Q105 PolarHBondContact O-N 3.39Å; Q105-E108 PolarHBondContact O-N 2.88Å; Q105-A109 PolarHBondContact O-N 3.32Å
106V98.8Very high98Very high2 Ų233 Ų331%0.01217%0.168CC..Hα-helixtrans-69.5-39176.4175.70000110.2F85 F102 F103 A109 I110 Y191 L192 A195 Y201F85-V106 HydrophobicContact CE1-CG2 4.02Å; F102-V106 WeakPolarHBondContact O-CB 3.42Å; F102-V106 VanDerWaalsContact O-CG2 3.26Å; F102-V106 WeakPolarHBondContact O-CG2 3.37Å; F102-V106 PolarHBondContact O-N 3.29Å; F103-V106 PolarHBondContact O-N 3.03Å; V106-A109 PolarHBondContact O-N 3.15Å; V106-I110 HydrophobicContact CG1-CD1 3.91Å; V106-I110 WeakPolarHBondContact O-CG1 3.3Å; V106-I110 PolarHBondContact O-N 3.34Å; V106-Y191 HydrophobicContact CG1-CE1 4.22Å; V106-L192 HydrophobicContact CB-CD2 4.09Å; V106-L192 HydrophobicContact CG1-CD2 4.44Å; V106-L192 HydrophobicContact CG2-CD2 3.86Å; V106-A195 HydrophobicContact CG1-CB 3.68Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 3.99Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.69Å
107K98.7Very high98.1Very high47 Ų4731 Ų3120%0.20416%0.157CC..Hα-helixtrans-64.4-40.6172.7-165.4-175.681.372.20112.6F103 L104 L111 A129 Y191F103-K107 HydrophobicContact CE2-CD 4.43Å; F103-K107 HydrophobicContact CZ-CD 4.11Å; F103-K107 VanDerWaalsContact O-CB 3.24Å; F103-K107 WeakPolarHBondContact O-CB 3.34Å; F103-K107 PolarHBondContact O-N 3.37Å; L104-K107 PolarHBondContact O-N 2.92Å; K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.4Å; K107-L111 VanDerWaalsContact NZ-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 3.28Å; K107-A129 HydrophobicContact CD-CB 3.79Å; K107-Y191 WeakPolarHBondContact CA-OH 3.18Å; K107-Y191 HydrophobicContact CB-CE1 4.28Å; K107-Y191 HydrophobicContact CG-CE2 4.31Å
108E98.3Very high98.3Very high71 Ų7130.3 Ų30.333%0.33215%0.151SC..Hα-helixtrans-57-49171.6177.1171.2-108.300110.1M12 R81 L104 Q105 L111 N112M12-E108 HydrophobicContact CE-CB 3.92Å; M12-E108 HydrophobicContact CE-CG 4.38Å; R81-E108 IonicContact CZ-OE2 2.74Å; R81-E108 IonicContact NE-OE2 2.87Å; R81-E108 PolarHBondContact NE-OE2 2.9Å; R81-E108 IonicContact NH2-OE1 2.98Å; R81-E108 IonicContact NH2-OE2 3.92Å; R81-E108 PolarHBondContact NH2-OE2 3.41Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.91Å; Q105-E108 PolarHBondContact O-N 2.88Å; E108-L111 PolarHBondContact O-N 3.46Å; E108-N112 WeakPolarHBondContact O-CB 3.35Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 VanDerWaalsContact O-N 3.1Å; E108-N112 PolarHBondContact O-ND2 3.5Å
109A98.4Very high98.3Very high19 Ų1930.4 Ų30.416%0.15715%0.152CC..Hα-helixtrans-67.7-36.2-179.200000114.4Q105 V106 D113 D114 I115Q105-A109 PolarHBondContact O-N 3.32Å; V106-A109 PolarHBondContact O-N 3.15Å; A109-D113 PolarHBondContact O-N 2.88Å; A109-D114 HydrophobicContact CB-CB 4.14Å; A109-D114 WeakPolarHBondContact O-CB 3.22Å; A109-D114 PolarHBondContact O-N 2.83Å; A109-I115 HydrophobicContact CB-CD1 3.74Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.48Å; A109-I115 VanDerWaalsContact O-N 3.16Å
110I98.8Very high98.3Very high3 Ų331 Ų312%0.01516%0.155CC..Hα-helixtrans-70.3-45.3176-71.6171.2000110.8V106 N112 D113 I115 C117 L125 P154 Y191 A195 L198V106-I110 HydrophobicContact CG1-CD1 3.91Å; V106-I110 WeakPolarHBondContact O-CG1 3.3Å; V106-I110 PolarHBondContact O-N 3.34Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 2.67Å; I110-D113 PolarHBondContact O-N 3.32Å; I110-I115 HydrophobicContact CG1-CB 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.03Å; I110-C117 HydrophobicContact CG2-CB 3.84Å; I110-L125 HydrophobicContact CD1-CD1 3.86Å; I110-P154 HydrophobicContact CG2-CG 4.2Å; I110-P154 WeakPolarHBondContact O-CG 3.3Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; I110-A195 HydrophobicContact CD1-CB 4.07Å; I110-L198 HydrophobicContact CD1-CD1 3.73Å; I110-L198 HydrophobicContact CG1-CD1 4.29Å
111L98.4Very high98.3Very high22 Ų2227.7 Ų27.712%0.11514%0.144CC..Hα-helixtrans-65.2-30.6179.7-69.6171.9000113.1K107 E108 D113 N151K107-L111 HydrophobicContact CG-CD1 3.95Å; K107-L111 HydrophobicContact CG-CG 4.4Å; K107-L111 VanDerWaalsContact NZ-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.23Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 3.28Å; E108-L111 PolarHBondContact O-N 3.46Å; L111-D113 VanDerWaalsContact C-N 3.27Å; L111-N151 WeakPolarHBondContact CD1-O 3.43Å
112N97.8Very high98.3Very high100 Ų10027.6 Ų27.654%0.53514%0.144SC..THydrogen-bonded Turntrans-79.2-5.7173.6-65.6-16.6000113.8E108 I110 D114E108-N112 WeakPolarHBondContact O-CB 3.35Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 VanDerWaalsContact O-N 3.1Å; E108-N112 PolarHBondContact O-ND2 3.5Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 2.67Å; N112-D114 WeakPolarHBondContact CB-OD2 3.28Å; N112-D114 PolarHBondContact O-N 2.65Å
113D97.4Very high98.3Very high56 Ų5627.6 Ų27.630%0.29914%0.144SC..THydrogen-bonded Turntrans59.421.4-170.3-135.724.4000113.7A109 I110 L111 R156A109-D113 PolarHBondContact O-N 2.88Å; I110-D113 PolarHBondContact O-N 3.32Å; L111-D113 VanDerWaalsContact C-N 3.27Å; D113-R156 IonicContact OD1-CZ 3.57Å; D113-R156 IonicContact OD1-NE 2.68Å; D113-R156 PolarHBondContact OD1-NE 2.84Å; D113-R156 IonicContact OD1-NH2 2.62Å; D113-R156 PolarHBondContact OD1-NH2 3.41Å; D113-R156 WeakPolarHBondContact OD2-CD 3.45Å; D113-R156 IonicContact OD2-CZ 3.31Å; D113-R156 IonicContact OD2-NE 2.78Å; D113-R156 PolarHBondContact OD2-NE 3.28Å; D113-R156 IonicContact OD2-NH2 3.47Å
114D96.9Very high98.3Very high107 Ų10727.1 Ų27.157%0.57214%0.142SC*.SBendtrans-65-32.3167.6-75.8-59.2000110.7A109 N112 M200A109-D114 HydrophobicContact CB-CB 4.14Å; A109-D114 WeakPolarHBondContact O-CB 3.22Å; A109-D114 PolarHBondContact O-N 2.83Å; N112-D114 WeakPolarHBondContact CB-OD2 3.28Å; N112-D114 PolarHBondContact O-N 2.65Å; D114-M200 WeakPolarHBondContact O-CE 3.43Å
115I98.4Very high98.3Very high14 Ų1425.3 Ų25.37%0.07213%0.132CC..SBendtrans-114.6115.8168.6-64.5172.6000107A109 I110 C117 L198 M200A109-I115 HydrophobicContact CB-CD1 3.74Å; A109-I115 HydrophobicContact CB-CG1 3.99Å; A109-I115 PolarHBondContact O-N 3.48Å; A109-I115 VanDerWaalsContact O-N 3.16Å; I110-I115 HydrophobicContact CG1-CB 4.01Å; I110-I115 HydrophobicContact CG1-CG2 4.03Å; I115-C117 PolarHBondContact O-N 3.38Å; I115-L198 HydrophobicContact CG2-CB 4.21Å; I115-L198 HydrophobicContact CG2-CD1 3.91Å; I115-M200 HydrophobicContact CG2-CB 4.24Å
116Y98.4Very high98.3Very high3 Ų324.1 Ų24.11%0.01213%0.127CC..  trans-59.8136.3172.4170.8-92.2000110.8P118 M234 N543 H547Y116-P118 HydrophobicContact CE1-CB 4.33Å; Y116-M234 HydrophobicContact CD1-CE 4.21Å; Y116-M234 HydrophobicContact CD1-SD 3.39Å; Y116-M234 WeakPolarHBondContact CD1-SD 3.43Å; Y116-M234 HydrophobicContact CD2-SD 4.4Å; Y116-M234 HydrophobicContact CE1-CE 4.37Å; Y116-M234 HydrophobicContact CE1-SD 4.12Å; Y116-M234 HydrophobicContact CG-SD 3.56Å; Y116-M234 VanDerWaalsContact CG-SD 3.56Å; Y116-N543 HydrophobicContact CD2-CB 3.41Å; Y116-N543 VanDerWaalsContact CD2-CB 3.41Å; Y116-N543 HydrophobicContact CE2-CB 3.71Å; Y116-N543 HydrophobicContact CG-CB 4.02Å; Y116-H547 HydrophobicContact CE1-CB 3.62Å; Y116-H547 AromaticContact CE1-CG 3.62Å; Y116-H547 AromaticContact CE1-ND1 3.84Å; Y116-H547 WeakPolarHBondContact OH-CB 3.33Å
117C98.5Very high98.3Very high0 Ų024 Ų240%013%0.126CC..  trans-138128.8174.7-168.60000109.3I110 I115 R156 L198I110-C117 HydrophobicContact CG2-CB 3.84Å; I115-C117 PolarHBondContact O-N 3.38Å; C117-R156 PolarHBondContact O-NH1 2.88Å; C117-R156 PolarHBondContact O-NH2 2.99Å; C117-L198 HydrophobicContact CB-CD1 4.09Å
118P98.1Very high98.3Very high4 Ų422.6 Ų22.63%0.02612%0.12CC..  trans-69.6154.3177.730.1-35000111.3Y116 E120 T121 A122Y116-P118 HydrophobicContact CE1-CB 4.33Å; P118-E120 PolarHBondContact O-N 2.89Å; P118-T121 PolarHBondContact O-N 3.47Å; P118-A122 WeakPolarHBondContact O-CB 3.47Å; P118-A122 PolarHBondContact O-N 2.84Å
119P98.1Very high98.3Very high2 Ų219.8 Ų19.81%0.01311%0.109CC..Hα-helixtrans-52-47.1-173-30.537.3000115.6A122 V123 V157 L531P119-A122 PolarHBondContact O-N 3.46Å; P119-V123 WeakPolarHBondContact O-CG2 3.15Å; P119-V123 PolarHBondContact O-N 3.33Å; P119-V157 HydrophobicContact CB-CG1 4.04Å; P119-L531 HydrophobicContact CB-CD1 3.83Å
120E97.4Very high98.3Very high35 Ų3518.9 Ų18.916%0.16410%0.101CC..Hα-helixtrans-60.5-46.7-179.953.2-90-127.100111.7P118 A122 V123 L124 L527 S528P118-E120 PolarHBondContact O-N 2.89Å; E120-A122 PolarHBondContact O-N 2.7Å; E120-V123 PolarHBondContact O-N 3.46Å; E120-L124 PolarHBondContact O-N 3.48Å; E120-L124 VanDerWaalsContact O-N 3.13Å; E120-L527 HydrophobicContact CB-CB 3.84Å; E120-S528 PolarHBondContact OE1-OG 3.43Å
121T98.4Very high98.2Very high15 Ų1518.8 Ų18.89%0.09210%0.101CC..Hα-helixtrans-67.2-37.2175.6-54.30000111.2P118 V123 L124 L125 I194 L198P118-T121 PolarHBondContact O-N 3.47Å; T121-V123 PolarHBondContact O-N 3.29Å; T121-L124 PolarHBondContact O-N 3.16Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.12Å; T121-L125 VanDerWaalsContact O-CB 3.25Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CG 3.27Å; T121-L125 PolarHBondContact O-N 3.35Å; T121-I194 HydrophobicContact CG2-CG2 3.55Å; T121-L198 HydrophobicContact CG2-CD2 4.35Å
122A98.6Very high98.2Very high3 Ų317.9 Ų17.93%0.02510%0.096CC..Hα-helixtrans-63.5-40.9178.300000112.5P118 P119 E120 A126 L153 V157P118-A122 WeakPolarHBondContact O-CB 3.47Å; P118-A122 PolarHBondContact O-N 2.84Å; P119-A122 PolarHBondContact O-N 3.46Å; E120-A122 PolarHBondContact O-N 2.7Å; A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 2.8Å; A122-L153 HydrophobicContact CB-CD2 3.99Å; A122-L153 WeakPolarHBondContact O-CD2 3.27Å; A122-V157 HydrophobicContact CB-CG2 4.11Å
123V98.4Very high98.2Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-68.5-41.6175.3178.40000111.6P119 E120 T121 A126 S127 L153 W168 I172 L527 L531P119-V123 WeakPolarHBondContact O-CG2 3.15Å; P119-V123 PolarHBondContact O-N 3.33Å; E120-V123 PolarHBondContact O-N 3.46Å; T121-V123 PolarHBondContact O-N 3.29Å; V123-A126 WeakPolarHBondContact O-CB 3.34Å; V123-A126 PolarHBondContact O-N 3.19Å; V123-S127 PolarHBondContact O-N 3.34Å; V123-L153 HydrophobicContact CG2-CD1 4.41Å; V123-L153 HydrophobicContact CG2-CD2 3.99Å; V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.5Å; V123-W168 HydrophobicContact CG2-CZ3 3.6Å; V123-I172 HydrophobicContact CG1-CG1 4.19Å; V123-L527 HydrophobicContact CB-CD2 3.86Å; V123-L527 HydrophobicContact CG1-CD2 3.51Å; V123-L531 HydrophobicContact CG2-CD1 4.08Å
124L98.5Very high98.1Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-63.8-46.6176.6-173.959.1000111.2E120 T121 A126 S127 Y128 W175 I194 L520 H523 L524 L527E120-L124 PolarHBondContact O-N 3.48Å; E120-L124 VanDerWaalsContact O-N 3.13Å; T121-L124 PolarHBondContact O-N 3.16Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.38Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.26Å; L124-Y128 HydrophobicContact CD1-CD2 4.4Å; L124-Y128 HydrophobicContact CD1-CE2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 4.34Å; L124-Y128 HydrophobicContact CG-CD2 4.18Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 2.91Å; L124-W175 HydrophobicContact CD1-CE3 4.41Å; L124-I194 HydrophobicContact CD2-CD1 4.09Å; L124-I194 HydrophobicContact CG-CD1 4.44Å; L124-L520 HydrophobicContact CD2-CD1 3.28Å; L124-H523 HydrophobicContact CD2-CB 4.31Å; L124-L524 HydrophobicContact CB-CD2 4.44Å; L124-L524 HydrophobicContact CD2-CD2 3.81Å; L124-L524 HydrophobicContact CD2-CG 4.18Å; L124-L527 HydrophobicContact CB-CD1 3.72Å; L124-L527 HydrophobicContact CD1-CD1 4.4Å
125L98.8Very high98.1Very high1 Ų115.3 Ų15.31%0.0058%0.081CC..Hα-helixtrans-59.1-37.7173.4-74.6179.9000112.1I110 T121 Y128 A129 Y191 I194I110-L125 HydrophobicContact CD1-CD1 3.86Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.12Å; T121-L125 VanDerWaalsContact O-CB 3.25Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CG 3.27Å; T121-L125 PolarHBondContact O-N 3.35Å; L125-Y128 PolarHBondContact O-N 2.84Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.34Å; L125-Y191 HydrophobicContact CB-CD2 4.01Å; L125-Y191 HydrophobicContact CB-CE2 3.55Å; L125-Y191 HydrophobicContact CD2-CD1 4.02Å; L125-Y191 HydrophobicContact CD2-CD2 3.68Å; L125-Y191 HydrophobicContact CD2-CE1 4.16Å; L125-Y191 HydrophobicContact CD2-CE2 3.87Å; L125-Y191 HydrophobicContact CD2-CG 3.73Å; L125-Y191 WeakPolarHBondContact CD2-O 3.38Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.18Å; L125-Y191 VanDerWaalsContact O-CD2 3.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; L125-I194 HydrophobicContact CD2-CB 3.88Å; L125-I194 HydrophobicContact CD2-CG2 3.81Å; L125-I194 HydrophobicContact CG-CG2 4.14Å
126A98.7Very high98Very high2 Ų217.2 Ų17.22%0.0179%0.091CC..Hα-helixtrans-60.1-44.4173.300000112A122 V123 L124 Y128 A129 V130 L152 L153 I172A122-A126 WeakPolarHBondContact O-CB 3.42Å; A122-A126 PolarHBondContact O-N 2.8Å; V123-A126 WeakPolarHBondContact O-CB 3.34Å; V123-A126 PolarHBondContact O-N 3.19Å; L124-A126 VanDerWaalsContact C-N 3.29Å; L124-A126 PolarHBondContact O-N 3.38Å; A126-Y128 PolarHBondContact O-N 2.81Å; A126-A129 WeakPolarHBondContact O-CB 3.47Å; A126-A129 PolarHBondContact O-N 2.89Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 3.29Å; A126-L152 HydrophobicContact CB-CB 4.11Å; A126-L152 WeakPolarHBondContact CB-O 3.36Å; A126-L153 HydrophobicContact CB-CD2 4.13Å; A126-I172 HydrophobicContact CB-CD1 3.92Å; A126-I172 HydrophobicContact CB-CG1 4.12Å; A126-I172 HydrophobicContact CB-CG2 4.22Å
127S98.5Very high97.9Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-63.3-39.8178.471.70000113.3V123 L124 V130 Q131 H179V123-S127 PolarHBondContact O-N 3.34Å; L124-S127 PolarHBondContact O-N 3.28Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S127 PolarHBondContact O-OG 3.26Å; S127-V130 PolarHBondContact O-N 2.74Å; S127-Q131 PolarHBondContact O-N 2.85Å; S127-H179 PolarHBondContact OG-NE2 3.26Å
128Y98.7Very high97.7Very high18 Ų1821.3 Ų21.37%0.07111%0.112CC..Hα-helixtrans-63.9-41.3170.4-74.2-68.2000111.7L124 L125 A126 V130 Q131 A132 H179 M182 S187 E190 I194L124-Y128 HydrophobicContact CD1-CD2 4.4Å; L124-Y128 HydrophobicContact CD1-CE2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 4.34Å; L124-Y128 HydrophobicContact CG-CD2 4.18Å; L124-Y128 HydrophobicContact CG-CE2 3.77Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 2.91Å; L125-Y128 PolarHBondContact O-N 2.84Å; A126-Y128 PolarHBondContact O-N 2.81Å; Y128-V130 VanDerWaalsContact C-N 3.25Å; Y128-V130 PolarHBondContact O-N 3.4Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.31Å; Y128-A132 PolarHBondContact O-N 2.82Å; Y128-H179 AromaticContact CD1-CE1 3.76Å; Y128-H179 AromaticContact CD1-NE2 3.81Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.43Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.3Å; Y128-H179 AromaticContact CE1-NE2 3.81Å; Y128-H179 AromaticContact CE2-CE1 3.8Å; Y128-H179 AromaticContact CG-NE2 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.83Å; Y128-H179 AromaticContact CZ-NE2 3.97Å; Y128-M182 HydrophobicContact CD1-SD 4.05Å; Y128-M182 HydrophobicContact CE1-CE 3.94Å; Y128-M182 HydrophobicContact CE1-SD 3.82Å; Y128-S187 PolarHBondContact O-OG 3.45Å; Y128-E190 HydrophobicContact CD1-CB 4.02Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.26Å; Y128-I194 HydrophobicContact CD2-CD1 4Å; Y128-I194 HydrophobicContact CE2-CD1 3.45Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.45Å
129A98.6Very high97.5Very high11 Ų1129 Ų299%0.09115%0.145CC..Hα-helixtrans-65-28.4176.800000113.3F103 K107 L125 A126 K133 Y191F103-A129 HydrophobicContact CE2-CB 4.33Å; F103-A129 HydrophobicContact CZ-CB 4.14Å; K107-A129 HydrophobicContact CD-CB 3.79Å; L125-A129 WeakPolarHBondContact O-CB 3.33Å; L125-A129 PolarHBondContact O-N 3.34Å; A126-A129 WeakPolarHBondContact O-CB 3.47Å; A126-A129 PolarHBondContact O-N 2.89Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A129-K133 WeakPolarHBondContact O-CB 3.49Å; A129-K133 PolarHBondContact O-N 3.36Å; A129-Y191 HydrophobicContact CB-CD2 4.28Å; A129-Y191 HydrophobicContact CB-CE2 4.1Å
130V98.4Very high97.2Very high1 Ų136.8 Ų36.81%0.00618%0.181CC..Hα-helixtrans-72-52.3171.9173.20000110.7A126 S127 Y128 A132 K133 F134 Y146 L147 L152 I172 H176A126-V130 WeakPolarHBondContact O-CG2 3.44Å; A126-V130 PolarHBondContact O-N 3.29Å; S127-V130 PolarHBondContact O-N 2.74Å; Y128-V130 VanDerWaalsContact C-N 3.25Å; Y128-V130 PolarHBondContact O-N 3.4Å; V130-A132 VanDerWaalsContact C-N 3.25Å; V130-A132 PolarHBondContact O-N 3.23Å; V130-K133 PolarHBondContact O-N 2.95Å; V130-F134 HydrophobicContact CB-CD2 4.5Å; V130-F134 HydrophobicContact CG1-CD2 3.79Å; V130-F134 HydrophobicContact CG1-CE2 4.4Å; V130-F134 WeakPolarHBondContact O-CD2 3.33Å; V130-F134 PolarHBondContact O-N 3.48Å; V130-Y146 HydrophobicContact CG1-CE2 4.22Å; V130-L147 HydrophobicContact CB-CD2 4.44Å; V130-L147 HydrophobicContact CG1-CD2 3.83Å; V130-L147 HydrophobicContact CG2-CD1 4.2Å; V130-L147 HydrophobicContact CG2-CD2 3.65Å; V130-L152 HydrophobicContact CG2-CD1 3.98Å; V130-L152 HydrophobicContact CG2-CD2 3.9Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; V130-H176 HydrophobicContact CG1-CB 4.24Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å
131Q98.3Very high97Very high1 Ų140 Ų401%0.00520%0.203CC..Hα-helixtrans-54.8-41.9174.9179.475.824.200111.4S127 Y128 K133 G135 D136 H176 H179 M182 S187S127-Q131 PolarHBondContact O-N 2.85Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.25Å; Q131-G135 WeakPolarHBondContact O-CA 3.41Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-G135 PolarHBondContact OE1-O 3.28Å; Q131-D136 PolarHBondContact NE2-OD1 3.28Å; Q131-H176 PolarHBondContact OE1-CD2 3.39Å; Q131-H179 HydrophobicContact CB-CB 4.14Å; Q131-H179 HydrophobicContact CG-CB 3.87Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 2.91Å; Q131-S187 WeakPolarHBondContact CB-OG 3.33Å
132A97.9Very high96.8Very high2 Ų240.2 Ų40.22%0.01720%0.203CC..Hα-helixtrans-69.7-6.7176.500000115.2F103 Y128 V130 R184 M188F103-A132 HydrophobicContact CE1-CB 4.34Å; F103-A132 HydrophobicContact CE2-CB 4.45Å; F103-A132 HydrophobicContact CZ-CB 3.92Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.31Å; Y128-A132 PolarHBondContact O-N 2.82Å; V130-A132 VanDerWaalsContact C-N 3.25Å; V130-A132 PolarHBondContact O-N 3.23Å; A132-R184 WeakPolarHBondContact O-CG 3.28Å; A132-R184 PolarHBondContact O-NE 3.44Å; A132-M188 HydrophobicContact CB-CG 3.75Å
133K96.9Very high96.5Very high111 Ų11144.4 Ų44.448%0.48323%0.228SC..Hα-helixtrans-112.2-42175.9176.3169168.2171.90113.1A129 V130 Q131 E150A129-K133 WeakPolarHBondContact O-CB 3.49Å; A129-K133 PolarHBondContact O-N 3.36Å; V130-K133 PolarHBondContact O-N 2.95Å; Q131-K133 PolarHBondContact O-N 3.25Å; K133-E150 IonicContact NZ-OE1 3.85Å; K133-E150 PolarHBondContact NZ-OE1 2.95Å; K133-E150 IonicContact NZ-OE2 3.75Å; K133-E150 PolarHBondContact NZ-OE2 2.72Å
134F96.6Very high96.1Very high70 Ų7050.2 Ų50.231%0.30727%0.269SS..Hα-helixtrans-104.2-17.5-171.3-65.1-87.7000113.7V130 L147 E150V130-F134 HydrophobicContact CB-CD2 4.5Å; V130-F134 HydrophobicContact CG1-CD2 3.79Å; V130-F134 HydrophobicContact CG1-CE2 4.4Å; V130-F134 WeakPolarHBondContact O-CD2 3.33Å; V130-F134 PolarHBondContact O-N 3.48Å; F134-L147 HydrophobicContact CD2-CD2 4.49Å; F134-L147 HydrophobicContact CE2-CD2 3.92Å; F134-L147 HydrophobicContact CZ-CD2 4.38Å; F134-E150 HydrophobicContact CE2-CG 4.3Å; F134-E150 HydrophobicContact CZ-CG 4.27Å
135G96.1Very high95.8Very high29 Ų2951.6 Ų51.630%0.29928%0.283SS..  trans77.7-160.7-170.100000111.6Q131 Y137 H176Q131-G135 WeakPolarHBondContact O-CA 3.41Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-G135 PolarHBondContact OE1-O 3.28Å; G135-Y137 PolarHBondContact O-N 2.78Å; G135-H176 PolarHBondContact O-NE2 2.8Å
136D96.1Very high95.6Very high54 Ų5453.4 Ų53.429%0.28929%0.29SS..SBendtrans-62.3131.4-176-67.9-29.2000112.7Q131 N138 K180 G181 R320Q131-D136 PolarHBondContact NE2-OD1 3.28Å; D136-N138 PolarHBondContact O-N 3.31Å; D136-K180 HydrophobicContact CB-CG 4.41Å; D136-G181 VanDerWaalsContact CG-N 3.33Å; D136-G181 PolarHBondContact OD1-N 2.91Å; D136-G181 PolarHBondContact OD2-N 3.49Å; D136-R320 IonicContact OD2-NH2 2.72Å; D136-R320 PolarHBondContact OD2-NH2 3.49Å
137Y96.8Very high95.5Very high22 Ų2253.4 Ų53.49%0.08629%0.29CS..  trans-55.8132.8173.4178.1-112.3000112.5G135 K139 H142 Y146 Q173 H176 E177G135-Y137 PolarHBondContact O-N 2.78Å; Y137-K139 HydrophobicContact CE1-CB 4.47Å; Y137-H142 HydrophobicContact CD2-CB 3.69Å; Y137-H142 HydrophobicContact CE2-CB 3.55Å; Y137-Y146 HydrophobicContact CE2-CE1 4.43Å; Y137-Q173 HydrophobicContact CD2-CG 4.16Å; Y137-Q173 HydrophobicContact CE1-CG 4.46Å; Y137-Q173 VanDerWaalsContact CE1-NE2 3.3Å; Y137-Q173 HydrophobicContact CE2-CG 3.6Å; Y137-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y137-Q173 PolarHBondContact OH-OE1 3.39Å; Y137-H176 AromaticContact CD2-ND1 3.99Å; Y137-E177 HydrophobicContact CD1-CB 3.83Å; Y137-E177 VanDerWaalsContact CD1-CD 3.46Å; Y137-E177 HydrophobicContact CD1-CG 3.74Å; Y137-E177 HydrophobicContact CE1-CB 4.45Å; Y137-E177 HydrophobicContact CE1-CG 4.31Å; Y137-E177 VanDerWaalsContact CE1-OE2 3.3Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.37Å; Y137-E177 HydrophobicContact CG-CB 4.41Å
138N93.7Very high95.1Very high66 Ų6656.5 Ų56.535%0.35331%0.311SS..  trans-139.8117.1173.2177.20.1000109.1D136 E140 V141 H142D136-N138 PolarHBondContact O-N 3.31Å; N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 PolarHBondContact OD1-N 3.27Å; N138-V141 PolarHBondContact O-N 3.44Å; N138-V141 VanDerWaalsContact O-N 3.1Å; N138-H142 PolarHBondContact N-ND1 2.94Å; N138-H142 VanDerWaalsContact N-ND1 3.14Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.94Å; N138-H142 PolarHBondContact O-ND1 2.92Å
139K93.6Very high94.8Very high165 Ų16560.2 Ų60.272%0.71734%0.34SS*.THydrogen-bonded Turntrans-57.4-25.2-179.4-175.5173.9179.6175.40115Y137Y137-K139 HydrophobicContact CE1-CB 4.47Å
140E92.5Very high94.5Very high167 Ų16761.7 Ų61.778%0.7835%0.345SS*.THydrogen-bonded Turntrans-76.9-28.4178.4-62.1175.7163.500112.7N138N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 PolarHBondContact OD1-N 3.27Å
141V92.8Very high94.3Very high101 Ų10166.3 Ų66.361%0.61237%0.369SS*.THydrogen-bonded Turntrans-100.4-43.2-177.5179.10000110.9N138 T143N138-V141 PolarHBondContact O-N 3.44Å; N138-V141 VanDerWaalsContact O-N 3.1Å; V141-T143 PolarHBondContact O-N 3.48Å
142H95.1Very high94.1Very high21 Ų2167.4 Ų67.410%0.09738%0.375CS..SBendtrans-93.369.3-175-56.592.6000110Y137 N138 Y146Y137-H142 HydrophobicContact CD2-CB 3.69Å; Y137-H142 HydrophobicContact CE2-CB 3.55Å; N138-H142 PolarHBondContact N-ND1 2.94Å; N138-H142 VanDerWaalsContact N-ND1 3.14Å; N138-H142 WeakPolarHBondContact O-CB 3.35Å; N138-H142 PolarHBondContact O-N 2.94Å; N138-H142 PolarHBondContact O-ND1 2.92Å; H142-Y146 HydrophobicContact CB-CD1 3.93Å; H142-Y146 HydrophobicContact CB-CD2 4.1Å; H142-Y146 HydrophobicContact CB-CE1 4.04Å; H142-Y146 HydrophobicContact CB-CE2 4.18Å; H142-Y146 HydrophobicContact CB-CG 3.97Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.62Å
143T92.1Very high94.1Very high91 Ų9167.6 Ų67.656%0.55838%0.376SS*.  trans-71.8165.2176.354.40000111.8V141 G145 Y146V141-T143 PolarHBondContact O-N 3.48Å; T143-G145 PolarHBondContact O-N 3.22Å; T143-Y146 WeakPolarHBondContact O-CB 3.43Å; T143-Y146 WeakPolarHBondContact O-CD1 3.48Å; T143-Y146 PolarHBondContact O-N 3.36Å; T143-Y146 VanDerWaalsContact O-N 3.12Å
144S90.7Very high94.1Very high122 Ų12262.3 Ų62.385%0.85335%0.353SS*.THydrogen-bonded Turntrans-55.7135.4-177.4-170.20000111.8
145G91.2Very high94.1Very high29 Ų2964.5 Ų64.530%0.29936%0.364SS..THydrogen-bonded Turntrans86.83.9-173.800000115.7T143 L147 S148 E169T143-G145 PolarHBondContact O-N 3.22Å; G145-L147 PolarHBondContact O-N 2.91Å; G145-L147 VanDerWaalsContact O-N 3.16Å; G145-S148 WeakPolarHBondContact O-CB 3.35Å; G145-S148 PolarHBondContact O-N 3.3Å; G145-S148 PolarHBondContact O-OG 3.39Å; G145-E169 WeakPolarHBondContact CA-OE2 3.17Å
146Y95.3Very high94.2Very high39 Ų3964 Ų6415%0.15335%0.354CS..THydrogen-bonded Turntrans-62.3-18.7177.981.6-82.3000114.5V130 Y137 H142 T143 Q173 H176V130-Y146 HydrophobicContact CG1-CE2 4.22Å; Y137-Y146 HydrophobicContact CE2-CE1 4.43Å; H142-Y146 HydrophobicContact CB-CD1 3.93Å; H142-Y146 HydrophobicContact CB-CD2 4.1Å; H142-Y146 HydrophobicContact CB-CE1 4.04Å; H142-Y146 HydrophobicContact CB-CE2 4.18Å; H142-Y146 HydrophobicContact CB-CG 3.97Å; H142-Y146 AromaticContact CD2-CD2 3.56Å; H142-Y146 AromaticContact CD2-CE2 3.62Å; T143-Y146 WeakPolarHBondContact O-CB 3.43Å; T143-Y146 WeakPolarHBondContact O-CD1 3.48Å; T143-Y146 PolarHBondContact O-N 3.36Å; T143-Y146 VanDerWaalsContact O-N 3.12Å; Y146-Q173 HydrophobicContact CE1-CB 4.37Å; Y146-Q173 HydrophobicContact CE1-CG 4.09Å; Y146-H176 AromaticContact CZ-ND1 3.94Å; Y146-H176 PolarHBondContact OH-ND1 2.68Å
147L95.5Very high94.3Very high1 Ų161.5 Ų61.51%0.00534%0.34CS..THydrogen-bonded Turntrans-95.80.9175.4-63.5179.6000112.6V130 F134 G145 S149 E150 L152 E169 I172V130-L147 HydrophobicContact CB-CD2 4.44Å; V130-L147 HydrophobicContact CG1-CD2 3.83Å; V130-L147 HydrophobicContact CG2-CD1 4.2Å; V130-L147 HydrophobicContact CG2-CD2 3.65Å; F134-L147 HydrophobicContact CD2-CD2 4.49Å; F134-L147 HydrophobicContact CE2-CD2 3.92Å; F134-L147 HydrophobicContact CZ-CD2 4.38Å; G145-L147 PolarHBondContact O-N 2.91Å; G145-L147 VanDerWaalsContact O-N 3.16Å; L147-S149 PolarHBondContact O-N 3.17Å; L147-S149 VanDerWaalsContact O-N 3.12Å; L147-E150 HydrophobicContact CD2-CG 4.32Å; L147-E150 VanDerWaalsContact O-CB 3.3Å; L147-E150 WeakPolarHBondContact O-CB 3.25Å; L147-E150 PolarHBondContact O-N 2.82Å; L147-L152 HydrophobicContact CB-CD1 4.11Å; L147-L152 HydrophobicContact CD1-CD1 3.97Å; L147-L152 HydrophobicContact CD2-CD1 4.21Å; L147-L152 HydrophobicContact CG-CD1 4.32Å; L147-E169 HydrophobicContact CB-CB 4.3Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.13Å; L147-E169 HydrophobicContact CD1-CB 4.49Å; L147-E169 PolarHBondContact N-OE2 2.81Å; L147-I172 HydrophobicContact CD1-CB 4.2Å; L147-I172 HydrophobicContact CD1-CG2 3.97Å
148S91.4Very high94.3Very high65 Ų6562.9 Ų62.946%0.45535%0.348SS..THydrogen-bonded Turntrans-68.1-14.8-171.267.10000115.1G145 K165 E169G145-S148 WeakPolarHBondContact O-CB 3.35Å; G145-S148 PolarHBondContact O-N 3.3Å; G145-S148 PolarHBondContact O-OG 3.39Å; S148-K165 PolarHBondContact O-NZ 3.23Å; S148-E169 VanDerWaalsContact CA-OE1 3.25Å; S148-E169 WeakPolarHBondContact CA-OE1 3.39Å; S148-E169 WeakPolarHBondContact CB-OE1 3.38Å; S148-E169 PolarHBondContact N-OE2 2.94Å; S148-E169 VanDerWaalsContact N-OE2 3.16Å
149S90.9Very high94.4Very high96 Ų9663.5 Ų63.567%0.67135%0.352SS*.THydrogen-bonded Turntrans-84.9-10.7169.4550000114.3L147L147-S149 PolarHBondContact O-N 3.17Å; L147-S149 VanDerWaalsContact O-N 3.12Å
150E93.7Very high94.5Very high43 Ų4355.7 Ų55.720%0.20132%0.318CS..  trans-93.6140.9-166-55.8-55120.900113.3K133 F134 L147 L152K133-E150 IonicContact NZ-OE1 3.85Å; K133-E150 PolarHBondContact NZ-OE1 2.95Å; K133-E150 IonicContact NZ-OE2 3.75Å; K133-E150 PolarHBondContact NZ-OE2 2.72Å; F134-E150 HydrophobicContact CE2-CG 4.3Å; F134-E150 HydrophobicContact CZ-CG 4.27Å; L147-E150 HydrophobicContact CD2-CG 4.32Å; L147-E150 VanDerWaalsContact O-CB 3.3Å; L147-E150 WeakPolarHBondContact O-CB 3.25Å; L147-E150 PolarHBondContact O-N 2.82Å; E150-L152 HydrophobicContact CB-CD1 3.91Å; E150-L152 HydrophobicContact CB-CD2 3.79Å; E150-L152 HydrophobicContact CB-CG 3.58Å
151N94Very high94.8Very high97 Ų9748.2 Ų48.252%0.51928%0.283SS..  trans-96.6106.8162.5-173.710.6000108.9L111 L153L111-N151 WeakPolarHBondContact CD1-O 3.43Å; N151-L153 PolarHBondContact OD1-O 2.6Å
152L92.4Very high94.9Very high24 Ų2450.1 Ų50.113%0.12628%0.283CS..  trans-116.4-21.7-168.3-64.8177.3000114.5A126 V130 L147 E150 I172A126-L152 HydrophobicContact CB-CB 4.11Å; A126-L152 WeakPolarHBondContact CB-O 3.36Å; V130-L152 HydrophobicContact CG2-CD1 3.98Å; V130-L152 HydrophobicContact CG2-CD2 3.9Å; L147-L152 HydrophobicContact CB-CD1 4.11Å; L147-L152 HydrophobicContact CD1-CD1 3.97Å; L147-L152 HydrophobicContact CD2-CD1 4.21Å; L147-L152 HydrophobicContact CG-CD1 4.32Å; E150-L152 HydrophobicContact CB-CD1 3.91Å; E150-L152 HydrophobicContact CB-CD2 3.79Å; E150-L152 HydrophobicContact CB-CG 3.58Å; L152-I172 HydrophobicContact CB-CD1 4.03Å; L152-I172 HydrophobicContact CD1-CD1 3.92Å; L152-I172 HydrophobicContact CD1-CG2 4.3Å
153L98Very high94.9Very high6 Ų650.3 Ų50.33%0.03129%0.285CS..SBendtrans-131.7145.2-176.4-67.2174.7000111A122 V123 A126 N151 V157 L158 W168 I172A122-L153 HydrophobicContact CB-CD2 3.99Å; A122-L153 WeakPolarHBondContact O-CD2 3.27Å; V123-L153 HydrophobicContact CG2-CD1 4.41Å; V123-L153 HydrophobicContact CG2-CD2 3.99Å; A126-L153 HydrophobicContact CB-CD2 4.13Å; N151-L153 PolarHBondContact OD1-O 2.6Å; L153-V157 HydrophobicContact CD1-CG1 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.47Å; L153-L158 HydrophobicContact CB-CD2 3.9Å; L153-L158 HydrophobicContact CB-CG 4.11Å; L153-L158 HydrophobicContact CD1-CD2 3.8Å; L153-L158 HydrophobicContact CG-CD2 4.46Å; L153-W168 HydrophobicContact CD1-CD2 3.61Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 4.16Å; L153-W168 HydrophobicContact CD1-CH2 4.17Å; L153-W168 HydrophobicContact CD1-CZ2 4.34Å; L153-W168 HydrophobicContact CD1-CZ3 3.72Å; L153-I172 HydrophobicContact CD1-CD1 4.23Å; L153-I172 HydrophobicContact CG-CD1 4.28Å
154P98Very high95Very high1 Ų149.3 Ų49.31%0.00628%0.276CS..  trans-61.4144172.5-16.228.7000110.7I110 R156 V157 L158I110-P154 HydrophobicContact CG2-CG 4.2Å; I110-P154 WeakPolarHBondContact O-CG 3.3Å; P154-R156 PolarHBondContact O-N 3.35Å; P154-R156 VanDerWaalsContact O-N 3.14Å; P154-V157 HydrophobicContact CB-CG2 4.3Å; P154-V157 HydrophobicContact CG-CG2 4.11Å; P154-V157 WeakPolarHBondContact O-CA 3.44Å; P154-V157 WeakPolarHBondContact O-CB 3.33Å; P154-V157 PolarHBondContact O-N 3.44Å; P154-L158 PolarHBondContact O-N 2.85Å
155Q97.1Very high95.1Very high115 Ų11549.2 Ų49.254%0.53726%0.26SS..Hα-helixtrans-55.6-37.3-177.4-172.36344.800112.6V157 L158 D159Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 PolarHBondContact O-N 3.4Å; Q155-L158 PolarHBondContact O-N 3.44Å; Q155-D159 PolarHBondContact NE2-OD1 3.31Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 VanDerWaalsContact O-CG 3.3Å; Q155-D159 PolarHBondContact O-N 3.25Å
156R97.6Very high95.2Very high20 Ų2053.8 Ų53.88%0.07527%0.274CS..Hα-helixtrans-55.5-34.6172.7173.6-178.85473.412.3113.8D113 C117 P154 Q160 T541 D544D113-R156 IonicContact OD1-CZ 3.57Å; D113-R156 IonicContact OD1-NE 2.68Å; D113-R156 PolarHBondContact OD1-NE 2.84Å; D113-R156 IonicContact OD1-NH2 2.62Å; D113-R156 PolarHBondContact OD1-NH2 3.41Å; D113-R156 WeakPolarHBondContact OD2-CD 3.45Å; D113-R156 IonicContact OD2-CZ 3.31Å; D113-R156 IonicContact OD2-NE 2.78Å; D113-R156 PolarHBondContact OD2-NE 3.28Å; D113-R156 IonicContact OD2-NH2 3.47Å; C117-R156 PolarHBondContact O-NH1 2.88Å; C117-R156 PolarHBondContact O-NH2 2.99Å; P154-R156 PolarHBondContact O-N 3.35Å; P154-R156 VanDerWaalsContact O-N 3.14Å; R156-Q160 WeakPolarHBondContact O-CB 3.33Å; R156-Q160 WeakPolarHBondContact O-CG 3.48Å; R156-Q160 PolarHBondContact O-N 3.08Å; R156-Q160 PolarHBondContact O-NE2 3.23Å; R156-T541 HydrophobicContact CG-CG2 3.86Å; R156-D544 WeakPolarHBondContact CD-OD2 3.44Å; R156-D544 IonicContact CZ-OD1 3.04Å; R156-D544 IonicContact NH1-OD1 2.69Å; R156-D544 PolarHBondContact NH1-OD1 3.16Å
157V97.9Very high95.2Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-76.6-41.6178.9178.10000110.2P119 A122 L153 P154 Q155 H161 W168P119-V157 HydrophobicContact CB-CG1 4.04Å; A122-V157 HydrophobicContact CB-CG2 4.11Å; L153-V157 HydrophobicContact CD1-CG1 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.47Å; P154-V157 HydrophobicContact CB-CG2 4.3Å; P154-V157 HydrophobicContact CG-CG2 4.11Å; P154-V157 WeakPolarHBondContact O-CA 3.44Å; P154-V157 WeakPolarHBondContact O-CB 3.33Å; P154-V157 PolarHBondContact O-N 3.44Å; Q155-V157 VanDerWaalsContact C-N 3.25Å; Q155-V157 PolarHBondContact O-N 3.4Å; V157-H161 PolarHBondContact O-ND1 2.81Å; V157-W168 HydrophobicContact CG1-CH2 3.91Å; V157-W168 HydrophobicContact CG1-CZ2 4.35Å
158L96.8Very high95.3Very high51 Ų5155.9 Ų55.927%0.26728%0.284SS..Hα-helixtrans-61.4-49.7173.8-60.9176.6000111.1L153 P154 Q155 Q160 H161 W168L153-L158 HydrophobicContact CB-CD2 3.9Å; L153-L158 HydrophobicContact CB-CG 4.11Å; L153-L158 HydrophobicContact CD1-CD2 3.8Å; L153-L158 HydrophobicContact CG-CD2 4.46Å; P154-L158 PolarHBondContact O-N 2.85Å; Q155-L158 PolarHBondContact O-N 3.44Å; L158-Q160 PolarHBondContact O-N 3.25Å; L158-H161 PolarHBondContact O-N 2.59Å; L158-W168 HydrophobicContact CD2-CD2 4.25Å; L158-W168 HydrophobicContact CD2-CG 4.08Å; L158-W168 HydrophobicContact CD2-CZ2 4.46Å
159D96.2Very high95.5Very high79 Ų7953.9 Ų53.942%0.42227%0.268SS..Hα-helixtrans-62.8-40.2-176.2-72.7-18.8000112.3Q155 H161 K539Q155-D159 PolarHBondContact NE2-OD1 3.31Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 VanDerWaalsContact O-CG 3.3Å; Q155-D159 PolarHBondContact O-N 3.25Å; D159-H161 VanDerWaalsContact C-N 3.26Å; D159-H161 PolarHBondContact O-N 2.86Å; D159-K539 WeakPolarHBondContact O-CD 3.42Å; D159-K539 WeakPolarHBondContact O-CE 3.13Å; D159-K539 PolarHBondContact O-NZ 3Å
160Q96.3Very high95.7Very high1 Ų154.7 Ų54.71%0.00526%0.261CS..THydrogen-bonded Turntrans-79.85.8-174.786.2178.7-90.900115.1R156 L158 R535 D536 K539 D544R156-Q160 WeakPolarHBondContact O-CB 3.33Å; R156-Q160 WeakPolarHBondContact O-CG 3.48Å; R156-Q160 PolarHBondContact O-N 3.08Å; R156-Q160 PolarHBondContact O-NE2 3.23Å; L158-Q160 PolarHBondContact O-N 3.25Å; Q160-R535 VanDerWaalsContact OE1-NE 3.08Å; Q160-D536 PolarHBondContact O-N 2.99Å; Q160-K539 HydrophobicContact CB-CB 4.08Å; Q160-D544 PolarHBondContact NE2-OD1 2.89Å
161H97.3Very high95.8Very high10 Ų1055.6 Ų55.65%0.04626%0.263CS..BIsolated β-bridgetrans-128149173.4-56.184.3000111.9V157 L158 D159 L163 W168 A534V157-H161 PolarHBondContact O-ND1 2.81Å; L158-H161 PolarHBondContact O-N 2.59Å; D159-H161 VanDerWaalsContact C-N 3.26Å; D159-H161 PolarHBondContact O-N 2.86Å; H161-L163 HydrophobicContact CB-CD1 4.41Å; H161-L163 HydrophobicContact CB-CG 4.25Å; H161-L163 PolarHBondContact O-N 2.85Å; H161-L163 VanDerWaalsContact O-N 3.11Å; H161-W168 HydrophobicContact CB-CH2 4.25Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.91Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.73Å; H161-A534 CarbonylContact C-O 3.49Å; H161-A534 WeakPolarHBondContact CA-O 3.43Å; H161-A534 HydrophobicContact CB-CB 4.43Å
162K95.6Very high95.9Very high141 Ų14151.1 Ų51.161%0.61324%0.239SC*.  trans-88.350.3178.7-66.5167.1-177.5157.10110.7A534 D536K162-A534 PolarHBondContact N-O 3.19Å; K162-D536 VanDerWaalsContact CE-CG 3.49Å; K162-D536 WeakPolarHBondContact CE-OD2 3.39Å; K162-D536 IonicContact NZ-OD1 2.7Å; K162-D536 IonicContact NZ-OD2 3.37Å; K162-D536 PolarHBondContact NZ-OD2 2.85Å
163L95.4Very high96.2Very high26 Ų2651.8 Ų51.814%0.13624%0.241CC..  trans-114.5136.5178.5-62.3179.2000109.9H161 Q167 W168 L531 A534H161-L163 HydrophobicContact CB-CD1 4.41Å; H161-L163 HydrophobicContact CB-CG 4.25Å; H161-L163 PolarHBondContact O-N 2.85Å; H161-L163 VanDerWaalsContact O-N 3.11Å; L163-Q167 HydrophobicContact CB-CB 4.25Å; L163-Q167 HydrophobicContact CD2-CB 4.26Å; L163-W168 HydrophobicContact CB-CD2 4.34Å; L163-W168 HydrophobicContact CB-CG 4.43Å; L163-W168 HydrophobicContact CB-CZ2 4.47Å; L163-W168 HydrophobicContact CD1-CD2 3.96Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 4.02Å; L163-W168 HydrophobicContact CD1-CZ2 3.97Å; L163-W168 HydrophobicContact CD1-CZ3 4.02Å; L163-L531 HydrophobicContact CD1-CD2 4.33Å; L163-A534 HydrophobicContact CD1-CB 4.25Å; L163-A534 HydrophobicContact CD2-CB 3.71Å; L163-A534 HydrophobicContact CG-CB 3.79Å
164N93.8Very high96.1Very high70 Ų7055.4 Ų55.437%0.37426%0.263SS..  trans-77176.2169.486.5-2.2000110.5E166 Q167 W168N164-E166 PolarHBondContact ND2-OE2 3.35Å; N164-E166 PolarHBondContact OD1-N 3.21Å; N164-E166 VanDerWaalsContact OD1-N 3.09Å; N164-Q167 PolarHBondContact O-N 3.1Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.24Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.84Å; N164-W168 PolarHBondContact O-N 3.11Å
165K93.2Very high96Very high119 Ų11956.2 Ų56.252%0.51727%0.266SS..Hα-helixtrans-64.1-43.9-178.5-175.4174.5176175.10112.9S148 Q167 W168 E169S148-K165 PolarHBondContact O-NZ 3.23Å; K165-Q167 VanDerWaalsContact C-N 3.32Å; K165-Q167 PolarHBondContact O-N 3.24Å; K165-W168 WeakPolarHBondContact O-CB 3.49Å; K165-W168 PolarHBondContact O-N 2.9Å; K165-W168 VanDerWaalsContact O-N 3.08Å; K165-E169 WeakPolarHBondContact CE-OE1 3.16Å; K165-E169 PolarHBondContact O-N 3.47Å
166E93.8Very high96.1Very high125 Ų12550.8 Ų50.858%0.58424%0.241SC*.Hα-helixtrans-59.9-43.9179.9-60.6156.2157.300110.7N164 W168 E169 E170N164-E166 PolarHBondContact ND2-OE2 3.35Å; N164-E166 PolarHBondContact OD1-N 3.21Å; N164-E166 VanDerWaalsContact OD1-N 3.09Å; E166-W168 PolarHBondContact O-N 2.89Å; E166-E169 CarbonylContact O-C 3.54Å; E166-E169 PolarHBondContact O-N 2.83Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3Å
167Q95.3Very high96Very high73 Ų7354.2 Ų54.234%0.34126%0.258SS..Hα-helixtrans-64.2-23.8176.3-72.4172.5-28.100114L163 N164 K165 R171L163-Q167 HydrophobicContact CB-CB 4.25Å; L163-Q167 HydrophobicContact CD2-CB 4.26Å; N164-Q167 PolarHBondContact O-N 3.1Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.37Å; N164-Q167 VanDerWaalsContact OD1-CG 3.24Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.34Å; N164-Q167 PolarHBondContact OD1-N 2.84Å; K165-Q167 VanDerWaalsContact C-N 3.32Å; K165-Q167 PolarHBondContact O-N 3.24Å; Q167-R171 WeakPolarHBondContact O-CD 3.24Å; Q167-R171 WeakPolarHBondContact O-CG 3.36Å; Q167-R171 PolarHBondContact O-NH1 2.98Å
168W96.8Very high95.9Very high12 Ų1258.8 Ų58.85%0.04528%0.279CS..Hα-helixtrans-79.8-42.6168.7-76.7118.8000111.6V123 L153 V157 L158 H161 L163 N164 K165 E166 R171 I172 L531V123-W168 HydrophobicContact CG2-CE3 4.25Å; V123-W168 HydrophobicContact CG2-CH2 4.5Å; V123-W168 HydrophobicContact CG2-CZ3 3.6Å; L153-W168 HydrophobicContact CD1-CD2 3.61Å; L153-W168 HydrophobicContact CD1-CE3 3.4Å; L153-W168 HydrophobicContact CD1-CG 4.16Å; L153-W168 HydrophobicContact CD1-CH2 4.17Å; L153-W168 HydrophobicContact CD1-CZ2 4.34Å; L153-W168 HydrophobicContact CD1-CZ3 3.72Å; V157-W168 HydrophobicContact CG1-CH2 3.91Å; V157-W168 HydrophobicContact CG1-CZ2 4.35Å; L158-W168 HydrophobicContact CD2-CD2 4.25Å; L158-W168 HydrophobicContact CD2-CG 4.08Å; L158-W168 HydrophobicContact CD2-CZ2 4.46Å; H161-W168 HydrophobicContact CB-CH2 4.25Å; H161-W168 HydrophobicContact CB-CZ2 3.77Å; H161-W168 AromaticContact CG-CH2 3.95Å; H161-W168 AromaticContact CG-CZ2 3.91Å; H161-W168 AromaticContact ND1-CH2 3.68Å; H161-W168 AromaticContact ND1-CZ2 3.73Å; L163-W168 HydrophobicContact CB-CD2 4.34Å; L163-W168 HydrophobicContact CB-CG 4.43Å; L163-W168 HydrophobicContact CB-CZ2 4.47Å; L163-W168 HydrophobicContact CD1-CD2 3.96Å; L163-W168 HydrophobicContact CD1-CE3 4Å; L163-W168 HydrophobicContact CD1-CH2 4.02Å; L163-W168 HydrophobicContact CD1-CZ2 3.97Å; L163-W168 HydrophobicContact CD1-CZ3 4.02Å; N164-W168 PolarHBondContact O-N 3.11Å; K165-W168 WeakPolarHBondContact O-CB 3.49Å; K165-W168 PolarHBondContact O-N 2.9Å; K165-W168 VanDerWaalsContact O-N 3.08Å; E166-W168 PolarHBondContact O-N 2.89Å; W168-R171 PolarHBondContact O-N 2.87Å; W168-I172 VanDerWaalsContact O-CG1 3.31Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.94Å; W168-L531 HydrophobicContact CH2-CD2 3.84Å; W168-L531 HydrophobicContact CZ3-CD2 3.59Å
169E95.9Very high95.9Very high22 Ų2256.5 Ų56.510%0.10327%0.267CS..Hα-helixtrans-61.6-41.9176.3-66.5-174.5-141.600111.7G145 L147 S148 K165 E166 I172 Q173G145-E169 WeakPolarHBondContact CA-OE2 3.17Å; L147-E169 HydrophobicContact CB-CB 4.3Å; L147-E169 HydrophobicContact CB-CG 3.79Å; L147-E169 WeakPolarHBondContact CB-OE2 3.13Å; L147-E169 HydrophobicContact CD1-CB 4.49Å; L147-E169 PolarHBondContact N-OE2 2.81Å; S148-E169 VanDerWaalsContact CA-OE1 3.25Å; S148-E169 WeakPolarHBondContact CA-OE1 3.39Å; S148-E169 WeakPolarHBondContact CB-OE1 3.38Å; S148-E169 PolarHBondContact N-OE2 2.94Å; S148-E169 VanDerWaalsContact N-OE2 3.16Å; K165-E169 WeakPolarHBondContact CE-OE1 3.16Å; K165-E169 PolarHBondContact O-N 3.47Å; E166-E169 CarbonylContact O-C 3.54Å; E166-E169 PolarHBondContact O-N 2.83Å; E169-I172 PolarHBondContact O-N 3.43Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.46Å
170E94.3Very high95.8Very high113 Ų11359.6 Ų59.653%0.52828%0.277SS..Hα-helixtrans-56.6-50.4172.7-74.4174.4162.100112.1E166 I172 Q173 V174E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3Å; E170-I172 PolarHBondContact O-N 3.16Å; E170-Q173 WeakPolarHBondContact O-CB 3.48Å; E170-Q173 PolarHBondContact O-N 3.16Å; E170-V174 PolarHBondContact O-N 2.66Å
171R95.6Very high95.6Very high63 Ų6361.3 Ų61.324%0.23830%0.295CS..Hα-helixtrans-61.6-45.5179.2-77.6168.4176.267.25.2111.5Q167 W168 Q173 V174 W175Q167-R171 WeakPolarHBondContact O-CD 3.24Å; Q167-R171 WeakPolarHBondContact O-CG 3.36Å; Q167-R171 PolarHBondContact O-NH1 2.98Å; W168-R171 PolarHBondContact O-N 2.87Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.34Å; R171-V174 PolarHBondContact O-N 3.12Å; R171-W175 VanDerWaalsContact O-CD1 3.27Å; R171-W175 PolarHBondContact O-N 2.69Å
172I97.7Very high95.5Very high3 Ų362.8 Ų62.82%0.01530%0.302CS..Hα-helixtrans-67.6-32.3178.7-62.8164.3000110.8V123 A126 V130 L147 L152 L153 W168 E169 E170 H176V123-I172 HydrophobicContact CG1-CG1 4.19Å; A126-I172 HydrophobicContact CB-CD1 3.92Å; A126-I172 HydrophobicContact CB-CG1 4.12Å; A126-I172 HydrophobicContact CB-CG2 4.22Å; V130-I172 HydrophobicContact CG2-CG2 3.87Å; L147-I172 HydrophobicContact CD1-CB 4.2Å; L147-I172 HydrophobicContact CD1-CG2 3.97Å; L152-I172 HydrophobicContact CB-CD1 4.03Å; L152-I172 HydrophobicContact CD1-CD1 3.92Å; L152-I172 HydrophobicContact CD1-CG2 4.3Å; L153-I172 HydrophobicContact CD1-CD1 4.23Å; L153-I172 HydrophobicContact CG-CD1 4.28Å; W168-I172 VanDerWaalsContact O-CG1 3.31Å; W168-I172 WeakPolarHBondContact O-CG1 3.36Å; W168-I172 PolarHBondContact O-N 2.94Å; E169-I172 PolarHBondContact O-N 3.43Å; E170-I172 PolarHBondContact O-N 3.16Å; I172-H176 WeakPolarHBondContact O-CB 3.36Å; I172-H176 PolarHBondContact O-N 3.01Å
173Q97.2Very high95.3Very high38 Ų3857.1 Ų57.118%0.17828%0.278CS..Hα-helixtrans-63.7-45.9173.7-175.3-88.6-82.600112.4Y137 Y146 E169 E170 R171 W175 H176 E177Y137-Q173 HydrophobicContact CD2-CG 4.16Å; Y137-Q173 HydrophobicContact CE1-CG 4.46Å; Y137-Q173 VanDerWaalsContact CE1-NE2 3.3Å; Y137-Q173 HydrophobicContact CE2-CG 3.6Å; Y137-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y137-Q173 PolarHBondContact OH-OE1 3.39Å; Y146-Q173 HydrophobicContact CE1-CB 4.37Å; Y146-Q173 HydrophobicContact CE1-CG 4.09Å; E169-Q173 WeakPolarHBondContact O-CB 3.3Å; E169-Q173 PolarHBondContact O-N 3.46Å; E170-Q173 WeakPolarHBondContact O-CB 3.48Å; E170-Q173 PolarHBondContact O-N 3.16Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 3.34Å; Q173-W175 VanDerWaalsContact C-N 3.32Å; Q173-W175 PolarHBondContact O-N 2.67Å; Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-N 2.96Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; Q173-E177 PolarHBondContact NE2-OE2 3.12Å; Q173-E177 PolarHBondContact O-N 2.73Å
174V96.2Very high95.3Very high82 Ų8261.9 Ų61.950%0.49729%0.294SS..Hα-helixtrans-58-47.3178171.60000110.5E170 R171 H176 E177 E178E170-V174 PolarHBondContact O-N 2.66Å; R171-V174 PolarHBondContact O-N 3.12Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.14Å; V174-E177 PolarHBondContact O-N 2.62Å; V174-E178 PolarHBondContact O-N 2.83Å
175W96.8Very high95.3Very high18 Ų1860.8 Ų60.87%0.06829%0.287CS..Hα-helixtrans-71.9-20.9177.3-70.7103.7000113.8L124 R171 Q173 E178 H179 H523 A526 L527 E530L124-W175 HydrophobicContact CD1-CE3 4.41Å; R171-W175 VanDerWaalsContact O-CD1 3.27Å; R171-W175 PolarHBondContact O-N 2.69Å; Q173-W175 VanDerWaalsContact C-N 3.32Å; Q173-W175 PolarHBondContact O-N 2.67Å; W175-E178 HydrophobicContact CE3-CG 4.42Å; W175-H179 PolarHBondContact O-CD2 2.85Å; W175-H179 PolarHBondContact O-NE2 3.19Å; W175-H179 VanDerWaalsContact O-NE2 3.08Å; W175-H523 AromaticContact CE3-ND1 3.95Å; W175-H523 HydrophobicContact CH2-CB 4.05Å; W175-H523 HydrophobicContact CZ3-CB 3.82Å; W175-H523 AromaticContact CZ3-CD2 3.85Å; W175-H523 AromaticContact CZ3-CE1 3.77Å; W175-H523 AromaticContact CZ3-CG 3.45Å; W175-H523 VanDerWaalsContact CZ3-CG 3.45Å; W175-H523 AromaticContact CZ3-ND1 3.42Å; W175-H523 WeakPolarHBondContact CZ3-ND1 3.39Å; W175-A526 HydrophobicContact CH2-CB 4.06Å; W175-A526 HydrophobicContact CZ2-CB 3.98Å; W175-L527 HydrophobicContact CD2-CD1 4.22Å; W175-L527 HydrophobicContact CD2-CG 4.39Å; W175-L527 HydrophobicContact CZ2-CD1 4.32Å; W175-L527 HydrophobicContact CZ2-CD2 4.48Å; W175-L527 HydrophobicContact CZ2-CG 3.84Å; W175-L527 VanDerWaalsContact NE1-CD2 3.27Å; W175-E530 PolarHBondContact NE1-OE2 2.95Å
176H97.8Very high95.4Very high0 Ų057.1 Ų57.10%027%0.272CS..Hα-helixtrans-73.1-37.1171.1171.5-148.3000111.8V130 Q131 G135 Y137 Y146 I172 Q173 V174 E178 H179V130-H176 HydrophobicContact CG1-CB 4.24Å; V130-H176 WeakPolarHBondContact CG1-ND1 3.43Å; Q131-H176 PolarHBondContact OE1-CD2 3.39Å; G135-H176 PolarHBondContact O-NE2 2.8Å; Y137-H176 AromaticContact CD2-ND1 3.99Å; Y146-H176 AromaticContact CZ-ND1 3.94Å; Y146-H176 PolarHBondContact OH-ND1 2.68Å; I172-H176 WeakPolarHBondContact O-CB 3.36Å; I172-H176 PolarHBondContact O-N 3.01Å; Q173-H176 WeakPolarHBondContact O-CB 3.46Å; Q173-H176 PolarHBondContact O-N 2.96Å; Q173-H176 VanDerWaalsContact O-N 3.1Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.14Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.43Å; H176-H179 PolarHBondContact O-N 2.95Å; H176-H179 VanDerWaalsContact O-N 3.16Å
177E96.6Very high95.6Very high92 Ų9251.1 Ų51.143%0.4324%0.244SC..Hα-helixtrans-65.1-31.5177.5-172.2157.4-159.600112.5Y137 Q173 V174 H179 K180Y137-E177 HydrophobicContact CD1-CB 3.83Å; Y137-E177 VanDerWaalsContact CD1-CD 3.46Å; Y137-E177 HydrophobicContact CD1-CG 3.74Å; Y137-E177 HydrophobicContact CE1-CB 4.45Å; Y137-E177 HydrophobicContact CE1-CG 4.31Å; Y137-E177 VanDerWaalsContact CE1-OE2 3.3Å; Y137-E177 WeakPolarHBondContact CE1-OE2 3.37Å; Y137-E177 HydrophobicContact CG-CB 4.41Å; Q173-E177 PolarHBondContact NE2-OE2 3.12Å; Q173-E177 PolarHBondContact O-N 2.73Å; V174-E177 PolarHBondContact O-N 2.62Å; E177-H179 PolarHBondContact O-N 2.99Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.41Å
178E96Very high95.8Very high96 Ų9647.8 Ų47.845%0.44923%0.228SC..THydrogen-bonded Turntrans-65.3-13173.1-83.7-69.4122.200115.3V174 W175 H176 R519V174-E178 PolarHBondContact O-N 2.83Å; W175-E178 HydrophobicContact CE3-CG 4.42Å; H176-E178 VanDerWaalsContact C-N 3.29Å; H176-E178 PolarHBondContact O-N 3.43Å; E178-R519 PolarHBondContact O-NH2 2.84Å; E178-R519 IonicContact OE2-CZ 2.78Å; E178-R519 IonicContact OE2-NH2 3.83Å; E178-R519 PolarHBondContact OE2-NH2 3.16Å
179H96.5Very high95.8Very high3 Ų348.1 Ų48.11%0.01423%0.231CC..THydrogen-bonded Turntrans-96.61.7177.8-59.2-42.6000113.9S127 Y128 Q131 W175 H176 E177 G181 M182S127-H179 PolarHBondContact OG-NE2 3.26Å; Y128-H179 AromaticContact CD1-CE1 3.76Å; Y128-H179 AromaticContact CD1-NE2 3.81Å; Y128-H179 AromaticContact CE1-CE1 3.26Å; Y128-H179 WeakPolarHBondContact CE1-CE1 3.47Å; Y128-H179 AromaticContact CE1-ND1 3.43Å; Y128-H179 WeakPolarHBondContact CE1-ND1 3.3Å; Y128-H179 AromaticContact CE1-NE2 3.81Å; Y128-H179 AromaticContact CE2-CE1 3.8Å; Y128-H179 AromaticContact CG-NE2 3.97Å; Y128-H179 AromaticContact CZ-CE1 3.28Å; Y128-H179 AromaticContact CZ-ND1 3.83Å; Y128-H179 AromaticContact CZ-NE2 3.97Å; Q131-H179 HydrophobicContact CB-CB 4.14Å; Q131-H179 HydrophobicContact CG-CB 3.87Å; W175-H179 PolarHBondContact O-CD2 2.85Å; W175-H179 PolarHBondContact O-NE2 3.19Å; W175-H179 VanDerWaalsContact O-NE2 3.08Å; H176-H179 PolarHBondContact O-N 2.95Å; H176-H179 VanDerWaalsContact O-N 3.16Å; E177-H179 PolarHBondContact O-N 2.99Å; H179-G181 PolarHBondContact O-N 3.4Å; H179-M182 HydrophobicContact CB-CB 4.47Å; H179-M182 WeakPolarHBondContact O-CB 3.44Å; H179-M182 PolarHBondContact O-N 2.9Å
180K94.6Very high95.9Very high144 Ų14449 Ų4963%0.62623%0.234SC*.THydrogen-bonded Turntrans-51.9125.5-177.3-175.3171.5-174.6167.30112.7D136 E177D136-K180 HydrophobicContact CB-CG 4.41Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.41Å
181G91.4Very high96.2Very high38 Ų3843.8 Ų43.839%0.39221%0.21SC..THydrogen-bonded Turntrans100.7-17.6-173.300000113.7D136 H179 M183 R320D136-G181 VanDerWaalsContact CG-N 3.33Å; D136-G181 PolarHBondContact OD1-N 2.91Å; D136-G181 PolarHBondContact OD2-N 3.49Å; H179-G181 PolarHBondContact O-N 3.4Å; G181-M183 PolarHBondContact O-N 2.85Å; G181-R320 PolarHBondContact O-NH1 2.89Å
182M94.8Very high96.3Very high41 Ų4140.8 Ų40.820%0.20220%0.199CC..  trans-71.5127.7-177.3-170.6172.8-64.700111.7Y128 Q131 H179 E186 S187 E190Y128-M182 HydrophobicContact CD1-SD 4.05Å; Y128-M182 HydrophobicContact CE1-CE 3.94Å; Y128-M182 HydrophobicContact CE1-SD 3.82Å; Q131-M182 HydrophobicContact CG-CB 4.29Å; Q131-M182 PolarHBondContact NE2-O 2.91Å; H179-M182 HydrophobicContact CB-CB 4.47Å; H179-M182 WeakPolarHBondContact O-CB 3.44Å; H179-M182 PolarHBondContact O-N 2.9Å; M182-E186 HydrophobicContact CG-CB 4.14Å; M182-S187 VanDerWaalsContact SD-CA 3.55Å; M182-E190 HydrophobicContact CE-CG 4.34Å; M182-E190 HydrophobicContact SD-CG 4.25Å
183M92.5Very high96.3Very high21 Ų2142.1 Ų42.110%0.10320%0.204CC..  trans-67.9153.3174.1-60.2-166-4700111.1G181 E185 E186 S187 K317G181-M183 PolarHBondContact O-N 2.85Å; M183-E185 VanDerWaalsContact C-N 3.29Å; M183-E185 PolarHBondContact O-N 3.27Å; M183-E186 HydrophobicContact CB-CB 4.42Å; M183-E186 HydrophobicContact CB-CG 4.2Å; M183-E186 HydrophobicContact CE-CG 4Å; M183-E186 PolarHBondContact O-N 3.05Å; M183-E186 VanDerWaalsContact O-N 3.11Å; M183-S187 PolarHBondContact O-N 3.35Å; M183-K317 HydrophobicContact CE-CD 4.43Å; M183-K317 HydrophobicContact CE-CG 3.98Å; M183-K317 HydrophobicContact SD-CG 4.06Å
184R94.9Very high96.4Very high127 Ų12740.9 Ų40.948%0.47920%0.199SC..Hα-helixtrans-54-45.6-179.2-178178.6-166.3-165.72112.5A132 S187 M188A132-R184 WeakPolarHBondContact O-CG 3.28Å; A132-R184 PolarHBondContact O-NE 3.44Å; R184-S187 PolarHBondContact O-N 2.9Å; R184-M188 HydrophobicContact CG-CE 4.37Å; R184-M188 WeakPolarHBondContact O-CG 3.47Å; R184-M188 PolarHBondContact O-N 2.68Å
185E94.3Very high96.5Very high46 Ų4637 Ų3722%0.21518%0.175CC..Hα-helixtrans-66.9-39.6-179.4-63.565.5-14400111.1D96 M183 M188 M189D96-E185 HydrophobicContact CB-CG 4.15Å; M183-E185 VanDerWaalsContact C-N 3.29Å; M183-E185 PolarHBondContact O-N 3.27Å; E185-M188 HydrophobicContact CG-CE 4.32Å; E185-M188 PolarHBondContact O-N 3.41Å; E185-M189 PolarHBondContact O-N 3.08Å
186E95.1Very high96.6Very high42 Ų4236.3 Ų36.320%0.19617%0.173CC..Hα-helixtrans-68.8-37.3176.3-59.9-170.313600110.8M182 M183 M189 E190 K313 K317M182-E186 HydrophobicContact CG-CB 4.14Å; M183-E186 HydrophobicContact CB-CB 4.42Å; M183-E186 HydrophobicContact CB-CG 4.2Å; M183-E186 HydrophobicContact CE-CG 4Å; M183-E186 PolarHBondContact O-N 3.05Å; M183-E186 VanDerWaalsContact O-N 3.11Å; E186-M189 WeakPolarHBondContact O-CB 3.27Å; E186-M189 PolarHBondContact O-N 2.96Å; E186-E190 WeakPolarHBondContact O-CG 3.46Å; E186-E190 PolarHBondContact O-N 3.48Å; E186-K313 WeakPolarHBondContact OE1-CE 3.4Å; E186-K313 IonicContact OE1-NZ 2.73Å; E186-K313 PolarHBondContact OE1-NZ 3.3Å; E186-K317 VanDerWaalsContact CD-NZ 3.28Å; E186-K317 VanDerWaalsContact OE1-CE 3.26Å; E186-K317 WeakPolarHBondContact OE1-CE 3.43Å; E186-K317 IonicContact OE1-NZ 3.76Å; E186-K317 PolarHBondContact OE1-NZ 2.86Å; E186-K317 IonicContact OE2-NZ 3.07Å; E186-K317 PolarHBondContact OE2-NZ 2.92Å
187S98Very high96.6Very high0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-65.6-39.9174.2-163.30000113.3Y128 Q131 M182 M183 R184 M189 Y191Y128-S187 PolarHBondContact O-OG 3.45Å; Q131-S187 WeakPolarHBondContact CB-OG 3.33Å; M182-S187 VanDerWaalsContact SD-CA 3.55Å; M183-S187 PolarHBondContact O-N 3.35Å; R184-S187 PolarHBondContact O-N 2.9Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 2.82Å; S187-Y191 WeakPolarHBondContact O-CB 3.38Å; S187-Y191 PolarHBondContact O-N 3.09Å; S187-Y191 VanDerWaalsContact O-N 3.07Å
188M98.5Very high96.7Very high3 Ų333.2 Ų33.22%0.01516%0.159CC..Hα-helixtrans-64.4-33.9171.3-68.6-172.4-61.200112.3R100 F103 A132 R184 E185 L192R100-M188 HydrophobicContact CB-CE 4.01Å; R100-M188 HydrophobicContact CB-SD 3.96Å; R100-M188 HydrophobicContact CG-CE 4.36Å; R100-M188 HydrophobicContact CG-SD 3.89Å; F103-M188 HydrophobicContact CB-CB 3.98Å; F103-M188 HydrophobicContact CB-CG 4.18Å; F103-M188 HydrophobicContact CB-SD 4.36Å; F103-M188 HydrophobicContact CD1-CB 4.28Å; F103-M188 HydrophobicContact CD1-CG 3.56Å; F103-M188 HydrophobicContact CD1-SD 3.54Å; F103-M188 VanDerWaalsContact CD1-SD 3.54Å; F103-M188 HydrophobicContact CD2-CB 4.14Å; F103-M188 HydrophobicContact CD2-CG 4.06Å; F103-M188 HydrophobicContact CE1-CG 3.88Å; F103-M188 HydrophobicContact CE1-SD 4.07Å; F103-M188 HydrophobicContact CE2-CG 4.34Å; F103-M188 HydrophobicContact CG-CB 3.88Å; F103-M188 HydrophobicContact CG-CG 3.66Å; F103-M188 HydrophobicContact CG-SD 4.08Å; F103-M188 HydrophobicContact CZ-CG 4.26Å; A132-M188 HydrophobicContact CB-CG 3.75Å; R184-M188 HydrophobicContact CG-CE 4.37Å; R184-M188 WeakPolarHBondContact O-CG 3.47Å; R184-M188 PolarHBondContact O-N 2.68Å; E185-M188 HydrophobicContact CG-CE 4.32Å; E185-M188 PolarHBondContact O-N 3.41Å; M188-L192 WeakPolarHBondContact O-CG 3.3Å; M188-L192 PolarHBondContact O-N 2.98Å
189M98Very high96.8Very high19 Ų1929.8 Ų29.89%0.09414%0.143CC..Hα-helixtrans-71.3-46.5175.6-178.55769.100112.3V89 L93 Q99 E185 E186 S187 Y191 L192 K193V89-M189 HydrophobicContact CB-SD 4.26Å; V89-M189 HydrophobicContact CG2-SD 3.86Å; V89-M189 WeakPolarHBondContact O-CE 3.39Å; L93-M189 HydrophobicContact CB-CE 4.38Å; Q99-M189 HydrophobicContact CG-CE 3.86Å; E185-M189 PolarHBondContact O-N 3.08Å; E186-M189 WeakPolarHBondContact O-CB 3.27Å; E186-M189 PolarHBondContact O-N 2.96Å; S187-M189 VanDerWaalsContact C-N 3.3Å; S187-M189 PolarHBondContact O-N 2.82Å; M189-Y191 VanDerWaalsContact C-N 3.31Å; M189-Y191 PolarHBondContact O-N 3.27Å; M189-L192 PolarHBondContact O-N 2.84Å; M189-K193 WeakPolarHBondContact O-CG 3.31Å; M189-K193 PolarHBondContact O-N 3.02Å; M189-K193 HydrophobicContact SD-CG 4.47Å
190E98.2Very high96.9Very high39 Ų3930.4 Ų30.418%0.18215%0.146CC..Hα-helixtrans-62.3-38.3176.8-61.9-46.3126.600111.8Y128 M182 E186 L192 K193 I194Y128-E190 HydrophobicContact CD1-CB 4.02Å; Y128-E190 HydrophobicContact CE1-CB 3.66Å; Y128-E190 HydrophobicContact CE1-CG 4.26Å; M182-E190 HydrophobicContact CE-CG 4.34Å; M182-E190 HydrophobicContact SD-CG 4.25Å; E186-E190 WeakPolarHBondContact O-CG 3.46Å; E186-E190 PolarHBondContact O-N 3.48Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.41Å; E190-K193 VanDerWaalsContact CD-NZ 3.3Å; E190-K193 PolarHBondContact O-N 2.68Å; E190-K193 WeakPolarHBondContact OE1-CE 3.35Å; E190-K193 IonicContact OE1-NZ 3.38Å; E190-K193 PolarHBondContact OE1-NZ 2.82Å; E190-K193 WeakPolarHBondContact OE2-CD 3.27Å; E190-K193 IonicContact OE2-NZ 3.49Å; E190-K193 PolarHBondContact OE2-NZ 3.06Å; E190-K193 VanDerWaalsContact OE2-NZ 3.1Å; E190-I194 WeakPolarHBondContact O-CG1 3.46Å; E190-I194 PolarHBondContact O-N 2.92Å; E190-I194 VanDerWaalsContact O-N 3.14Å
191Y98.8Very high97.1Very high5 Ų524.1 Ų24.12%0.0212%0.119CC..Hα-helixtrans-54.5-48169.6-174.2-72.6000111.4F103 V106 K107 I110 L125 A129 S187 M189 I194 A195F103-Y191 AromaticContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD1 3.69Å; F103-Y191 HydrophobicContact CD2-CD2 4.13Å; F103-Y191 HydrophobicContact CD2-CE1 4.34Å; F103-Y191 AromaticContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CD2-CG 3.62Å; F103-Y191 HydrophobicContact CE2-CD1 4.05Å; F103-Y191 AromaticContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CD2 3.63Å; F103-Y191 HydrophobicContact CE2-CE2 4.14Å; F103-Y191 AromaticContact CE2-CG 3.61Å; F103-Y191 HydrophobicContact CE2-CG 3.61Å; V106-Y191 HydrophobicContact CG1-CE1 4.22Å; K107-Y191 WeakPolarHBondContact CA-OH 3.18Å; K107-Y191 HydrophobicContact CB-CE1 4.28Å; K107-Y191 HydrophobicContact CG-CE2 4.31Å; I110-Y191 HydrophobicContact CD1-CE1 4.4Å; L125-Y191 HydrophobicContact CB-CD2 4.01Å; L125-Y191 HydrophobicContact CB-CE2 3.55Å; L125-Y191 HydrophobicContact CD2-CD1 4.02Å; L125-Y191 HydrophobicContact CD2-CD2 3.68Å; L125-Y191 HydrophobicContact CD2-CE1 4.16Å; L125-Y191 HydrophobicContact CD2-CE2 3.87Å; L125-Y191 HydrophobicContact CD2-CG 3.73Å; L125-Y191 WeakPolarHBondContact CD2-O 3.38Å; L125-Y191 HydrophobicContact CG-CD2 4.42Å; L125-Y191 HydrophobicContact CG-CE2 4.18Å; L125-Y191 VanDerWaalsContact O-CD2 3.22Å; L125-Y191 WeakPolarHBondContact O-CD2 3.46Å; L125-Y191 WeakPolarHBondContact O-CE2 3.44Å; A129-Y191 HydrophobicContact CB-CD2 4.28Å; A129-Y191 HydrophobicContact CB-CE2 4.1Å; S187-Y191 WeakPolarHBondContact O-CB 3.38Å; S187-Y191 PolarHBondContact O-N 3.09Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; M189-Y191 VanDerWaalsContact C-N 3.31Å; M189-Y191 PolarHBondContact O-N 3.27Å; Y191-I194 PolarHBondContact O-N 2.89Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.26Å; Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 2.73Å
192L98.8Very high97.3Very high0 Ų022.9 Ų22.90%011%0.106CC..Hα-helixtrans-69.1-36.4-178.6-77.8172.9000113.1V89 L93 F102 F103 V106 M188 M189 E190 I194 A195 Q196V89-L192 HydrophobicContact CB-CB 4.23Å; V89-L192 HydrophobicContact CG1-CB 4.16Å; V89-L192 HydrophobicContact CG2-CB 4.05Å; L93-L192 HydrophobicContact CD1-CD1 3.97Å; F102-L192 HydrophobicContact CB-CD1 3.92Å; F102-L192 HydrophobicContact CB-CD2 4.24Å; F103-L192 HydrophobicContact CB-CD1 4.18Å; F103-L192 HydrophobicContact CB-CG 4.28Å; V106-L192 HydrophobicContact CB-CD2 4.09Å; V106-L192 HydrophobicContact CG1-CD2 4.44Å; V106-L192 HydrophobicContact CG2-CD2 3.86Å; M188-L192 WeakPolarHBondContact O-CG 3.3Å; M188-L192 PolarHBondContact O-N 2.98Å; M189-L192 PolarHBondContact O-N 2.84Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.41Å; L192-I194 VanDerWaalsContact C-N 3.35Å; L192-A195 PolarHBondContact O-N 3.23Å; L192-Q196 WeakPolarHBondContact O-CB 3.5Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 3.31Å
193K98.4Very high97.5Very high31 Ų3121.7 Ų21.714%0.13510%0.101CC..Hα-helixtrans-62.3-39.9174.9-75.4175.8177.61750112.7V89 M189 E190 Q196 E513V89-K193 HydrophobicContact CG2-CG 3.97Å; M189-K193 WeakPolarHBondContact O-CG 3.31Å; M189-K193 PolarHBondContact O-N 3.02Å; M189-K193 HydrophobicContact SD-CG 4.47Å; E190-K193 VanDerWaalsContact CD-NZ 3.3Å; E190-K193 PolarHBondContact O-N 2.68Å; E190-K193 WeakPolarHBondContact OE1-CE 3.35Å; E190-K193 IonicContact OE1-NZ 3.38Å; E190-K193 PolarHBondContact OE1-NZ 2.82Å; E190-K193 WeakPolarHBondContact OE2-CD 3.27Å; E190-K193 IonicContact OE2-NZ 3.49Å; E190-K193 PolarHBondContact OE2-NZ 3.06Å; E190-K193 VanDerWaalsContact OE2-NZ 3.1Å; K193-Q196 VanDerWaalsContact O-CG 3.23Å; K193-Q196 WeakPolarHBondContact O-CG 3.31Å; K193-E513 HydrophobicContact CB-CG 4.4Å
194I98.5Very high97.7Very high12 Ų1222.4 Ų22.46%0.06211%0.105CC..Hα-helixtrans-72.9-42.5176.2-64.9166.2000109.8T121 L124 L125 Y128 E190 Y191 L192 Q196 L520T121-I194 HydrophobicContact CG2-CG2 3.55Å; L124-I194 HydrophobicContact CD2-CD1 4.09Å; L124-I194 HydrophobicContact CG-CD1 4.44Å; L125-I194 HydrophobicContact CD2-CB 3.88Å; L125-I194 HydrophobicContact CD2-CG2 3.81Å; L125-I194 HydrophobicContact CG-CG2 4.14Å; Y128-I194 HydrophobicContact CD2-CD1 4Å; Y128-I194 HydrophobicContact CE2-CD1 3.45Å; Y128-I194 VanDerWaalsContact CE2-CD1 3.45Å; E190-I194 WeakPolarHBondContact O-CG1 3.46Å; E190-I194 PolarHBondContact O-N 2.92Å; E190-I194 VanDerWaalsContact O-N 3.14Å; Y191-I194 PolarHBondContact O-N 2.89Å; L192-I194 VanDerWaalsContact C-N 3.35Å; I194-Q196 PolarHBondContact O-N 2.7Å; I194-L520 HydrophobicContact CD1-CD1 3.75Å; I194-L520 HydrophobicContact CD1-CD2 4.41Å; I194-L520 HydrophobicContact CG1-CD1 4.06Å; I194-L520 HydrophobicContact CG1-CD2 3.87Å
195A98.6Very high97.9Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-70.1-29.3-177.700000114V106 I110 Y191 L192 D197 L198 Y201V106-A195 HydrophobicContact CG1-CB 3.68Å; I110-A195 HydrophobicContact CD1-CB 4.07Å; Y191-A195 HydrophobicContact CD1-CB 4.38Å; Y191-A195 HydrophobicContact CE1-CB 4.26Å; Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 3.25Å; Y191-A195 PolarHBondContact O-N 2.73Å; L192-A195 PolarHBondContact O-N 3.23Å; A195-D197 PolarHBondContact O-N 2.9Å; A195-L198 WeakPolarHBondContact O-CB 3.36Å; A195-L198 PolarHBondContact O-N 3.35Å; A195-Y201 HydrophobicContact CB-CD2 4.45Å; A195-Y201 WeakPolarHBondContact O-CB 3.49Å; A195-Y201 VanDerWaalsContact O-CD2 3.23Å; A195-Y201 WeakPolarHBondContact O-CD2 3.43Å
196Q98.3Very high98Very high3 Ų317 Ų171%0.0148%0.083CC..THydrogen-bonded Turntrans-64.8-24-18064.9174.3-7.700113.8D88 V89 L192 K193 I194 Y201 K557D88-Q196 PolarHBondContact OD1-NE2 2.84Å; D88-Q196 PolarHBondContact OD2-NE2 3.26Å; V89-Q196 HydrophobicContact CG1-CB 4.31Å; V89-Q196 HydrophobicContact CG2-CG 4.48Å; L192-Q196 WeakPolarHBondContact O-CB 3.5Å; L192-Q196 WeakPolarHBondContact O-CG 3.36Å; L192-Q196 PolarHBondContact O-N 3.31Å; K193-Q196 VanDerWaalsContact O-CG 3.23Å; K193-Q196 WeakPolarHBondContact O-CG 3.31Å; I194-Q196 PolarHBondContact O-N 2.7Å; Q196-Y201 HydrophobicContact CB-CD1 4.02Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.27Å; Q196-Y201 HydrophobicContact CB-CG 4.49Å; Q196-K557 PolarHBondContact O-NZ 3Å
197D98.3Very high98.1Very high20 Ų2019.1 Ų19.111%0.10710%0.096CC..THydrogen-bonded Turntrans-82.9-12.6-178.9-68.4-14.5000113.6A195 T512 E513 K557 Y558A195-D197 PolarHBondContact O-N 2.9Å; D197-T512 HydrophobicContact CB-CG2 4.14Å; D197-T512 WeakPolarHBondContact OD2-CA 3.44Å; D197-T512 WeakPolarHBondContact OD2-CB 3.22Å; D197-E513 PolarHBondContact OD2-N 2.97Å; D197-K557 WeakPolarHBondContact O-CB 3.24Å; D197-K557 VanDerWaalsContact O-CD 3.32Å; D197-K557 WeakPolarHBondContact O-CD 3.28Å; D197-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D197-Y558 PolarHBondContact OD1-OH 3.41Å
198L98.4Very high98.1Very high8 Ų819.3 Ų19.34%0.04210%0.097CC..SBendtrans-61.7138.1175.2-62.9173.9000110.8I110 I115 C117 T121 A195 M200 Y201 K557I110-L198 HydrophobicContact CD1-CD1 3.73Å; I110-L198 HydrophobicContact CG1-CD1 4.29Å; I115-L198 HydrophobicContact CG2-CB 4.21Å; I115-L198 HydrophobicContact CG2-CD1 3.91Å; C117-L198 HydrophobicContact CB-CD1 4.09Å; T121-L198 HydrophobicContact CG2-CD2 4.35Å; A195-L198 WeakPolarHBondContact O-CB 3.36Å; A195-L198 PolarHBondContact O-N 3.35Å; L198-M200 PolarHBondContact O-N 2.94Å; L198-M200 VanDerWaalsContact O-N 3.12Å; L198-Y201 WeakPolarHBondContact O-CB 3.36Å; L198-Y201 PolarHBondContact O-N 2.84Å; L198-K557 PolarHBondContact O-NZ 3.47Å
199E98.1Very high98.1Very high24 Ų2422.8 Ų22.811%0.11211%0.112CC..THydrogen-bonded Turntrans-59-33.5-169.9-59.897.5129.100113M234 H547E199-M234 HydrophobicContact CB-CB 3.84Å; E199-M234 HydrophobicContact CB-CG 4.4Å; E199-M234 HydrophobicContact CG-CB 4.22Å; E199-H547 IonicContact OE1-CE1 2.72Å; E199-H547 IonicContact OE1-CG 2.86Å; E199-H547 IonicContact OE1-ND1 3.23Å; E199-H547 PolarHBondContact OE1-ND1 3.41Å; E199-H547 IonicContact OE2-ND1 3.19Å
200M98.3Very high98.1Very high16 Ų1622 Ų228%0.07911%0.108CC..THydrogen-bonded Turntrans-90.3-8.8-179.6-57.8-173.461.300114.2D114 I115 L198 G202 V203 Y205 K233 M234D114-M200 WeakPolarHBondContact O-CE 3.43Å; I115-M200 HydrophobicContact CG2-CB 4.24Å; L198-M200 PolarHBondContact O-N 2.94Å; L198-M200 VanDerWaalsContact O-N 3.12Å; M200-G202 PolarHBondContact O-N 3.32Å; M200-V203 PolarHBondContact O-N 3.09Å; M200-Y205 HydrophobicContact CE-CE2 3.97Å; M200-Y205 WeakPolarHBondContact CG-OH 3.34Å; M200-K233 HydrophobicContact CE-CB 4.44Å; M200-K233 HydrophobicContact CE-CD 4.36Å; M200-M234 HydrophobicContact CG-CG 3.91Å; M200-M234 HydrophobicContact CG-SD 4.49Å; M200-M234 HydrophobicContact SD-CG 4.09Å; M200-M234 HydrophobicContact SD-SD 4.36Å
201Y98.4Very high98Very high12 Ų1225.7 Ų25.75%0.04712%0.124CC..THydrogen-bonded Turntrans-63.1127.7-177173-80.5000111.9F85 V89 V106 A195 Q196 L198 V203 K557F85-Y201 AromaticContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE1 3.89Å; F85-Y201 HydrophobicContact CD1-CE2 4.23Å; F85-Y201 AromaticContact CD1-CZ 3.67Å; F85-Y201 HydrophobicContact CE1-CE2 4.24Å; V89-Y201 WeakPolarHBondContact CG1-OH 3.35Å; V106-Y201 HydrophobicContact CG1-CD2 4.08Å; V106-Y201 HydrophobicContact CG1-CE2 3.99Å; V106-Y201 HydrophobicContact CG2-CD2 4.34Å; V106-Y201 HydrophobicContact CG2-CE2 3.69Å; A195-Y201 HydrophobicContact CB-CD2 4.45Å; A195-Y201 WeakPolarHBondContact O-CB 3.49Å; A195-Y201 VanDerWaalsContact O-CD2 3.23Å; A195-Y201 WeakPolarHBondContact O-CD2 3.43Å; Q196-Y201 HydrophobicContact CB-CD1 4.02Å; Q196-Y201 HydrophobicContact CB-CE1 3.65Å; Q196-Y201 HydrophobicContact CB-CE2 4.27Å; Q196-Y201 HydrophobicContact CB-CG 4.49Å; L198-Y201 WeakPolarHBondContact O-CB 3.36Å; L198-Y201 PolarHBondContact O-N 2.84Å; Y201-V203 PolarHBondContact O-N 3.21Å; Y201-K557 PolarHBondContact O-NZ 3.27Å; Y201-K557 VanDerWaalsContact O-NZ 3.09Å
202G97.1Very high97.8Very high11 Ų1132 Ų3211%0.11315%0.151CC..THydrogen-bonded Turntrans79.2-7.6177.600000115.5M200M200-G202 PolarHBondContact O-N 3.32Å
203V98.2Very high97.6Very high16 Ų1633.4 Ų33.410%0.09717%0.165CC..  trans-84119.8-170.2-173.30000111.9M200 Y201 Y205 D221 Y228M200-V203 PolarHBondContact O-N 3.09Å; Y201-V203 PolarHBondContact O-N 3.21Å; V203-Y205 HydrophobicContact CB-CD2 4.33Å; V203-Y205 HydrophobicContact CB-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CD1 4.13Å; V203-Y205 HydrophobicContact CG1-CD2 4.05Å; V203-Y205 HydrophobicContact CG1-CE1 3.77Å; V203-Y205 HydrophobicContact CG1-CE2 3.66Å; V203-Y205 HydrophobicContact CG1-CG 4.27Å; V203-Y205 WeakPolarHBondContact O-CD2 3.35Å; V203-D221 HydrophobicContact CG2-CB 4.37Å; V203-Y228 HydrophobicContact CG1-CE2 4.44Å
204N97.5Very high97.6Very high36 Ų3634.1 Ų34.119%0.19317%0.172CC..EExtended strand (participates in β ladder)trans-91.3103.2171.7-75.2-109.3000110.2F206 V220 L283N204-F206 HydrophobicContact CB-CE2 3.81Å; N204-F206 HydrophobicContact CB-CZ 4.28Å; N204-F206 VanDerWaalsContact O-CD2 3.31Å; N204-F206 WeakPolarHBondContact O-CD2 3.45Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; N204-V220 HydrophobicContact CB-CB 4.35Å; N204-V220 WeakPolarHBondContact CB-O 3.31Å; N204-V220 PolarHBondContact N-O 3Å; N204-V220 PolarHBondContact O-N 2.73Å; N204-L283 HydrophobicContact CB-CD1 3.95Å
205Y97.6Very high97.6Very high47 Ų4738.6 Ų38.618%0.18419%0.193CC..EExtended strand (participates in β ladder)trans-82.1137.7-178.7-61.4-90.4000113.8M200 V203 F217 L218 Y228 K233M200-Y205 HydrophobicContact CE-CE2 3.97Å; M200-Y205 WeakPolarHBondContact CG-OH 3.34Å; V203-Y205 HydrophobicContact CB-CD2 4.33Å; V203-Y205 HydrophobicContact CB-CE2 3.67Å; V203-Y205 HydrophobicContact CG1-CD1 4.13Å; V203-Y205 HydrophobicContact CG1-CD2 4.05Å; V203-Y205 HydrophobicContact CG1-CE1 3.77Å; V203-Y205 HydrophobicContact CG1-CE2 3.66Å; V203-Y205 HydrophobicContact CG1-CG 4.27Å; V203-Y205 WeakPolarHBondContact O-CD2 3.35Å; Y205-F217 HydrophobicContact CD1-CB 4.23Å; Y205-F217 HydrophobicContact CD1-CG 4.47Å; Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.06Å; Y205-Y228 HydrophobicContact CD1-CE2 4.48Å; Y205-Y228 HydrophobicContact CE1-CD1 4.38Å; Y205-Y228 HydrophobicContact CE1-CD2 4.28Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 HydrophobicContact CE1-CE2 4.02Å; Y205-Y228 HydrophobicContact CE1-CG 4.49Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; Y205-K233 HydrophobicContact CD1-CB 4.41Å; Y205-K233 HydrophobicContact CD1-CD 4.29Å; Y205-K233 HydrophobicContact CD1-CG 4.19Å; Y205-K233 HydrophobicContact CE1-CB 3.75Å; Y205-K233 HydrophobicContact CE1-CD 4.35Å; Y205-K233 HydrophobicContact CE1-CG 4.04Å; Y205-K233 WeakPolarHBondContact CE1-O 3.23Å; Y205-K233 HydrophobicContact CG-CD 4.5Å; Y205-K233 PolarHBondContact OH-O 3.33Å
206F97.3Very high97.6Very high13 Ų1338.7 Ų38.76%0.05719%0.193CC..EExtended strand (participates in β ladder)trans-137.5129.6174.9-60.6-80.7000111.9N204 I208 F217 L218 V220 I276 R279 I280 L283N204-F206 HydrophobicContact CB-CE2 3.81Å; N204-F206 HydrophobicContact CB-CZ 4.28Å; N204-F206 VanDerWaalsContact O-CD2 3.31Å; N204-F206 WeakPolarHBondContact O-CD2 3.45Å; N204-F206 WeakPolarHBondContact O-CE2 3.4Å; F206-I208 PolarHBondContact O-N 3.26Å; F206-F217 WeakPolarHBondContact O-CA 3.27Å; F206-L218 PolarHBondContact N-O 3.46Å; F206-L218 PolarHBondContact O-N 2.76Å; F206-V220 HydrophobicContact CD2-CG2 4.12Å; F206-V220 HydrophobicContact CE2-CG2 4.04Å; F206-I276 HydrophobicContact CB-CG2 4.44Å; F206-I276 HydrophobicContact CD1-CG2 3.73Å; F206-I276 HydrophobicContact CE1-CG2 4.43Å; F206-I276 HydrophobicContact CG-CG2 4.38Å; F206-R279 HydrophobicContact CE1-CB 4.29Å; F206-I280 HydrophobicContact CB-CD1 4.04Å; F206-I280 HydrophobicContact CB-CG1 4.36Å; F206-I280 HydrophobicContact CD1-CD1 4.37Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.27Å; F206-I280 HydrophobicContact CD2-CG1 3.71Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.73Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.58Å
207N97.4Very high97.6Very high86 Ų8639.4 Ų39.446%0.4620%0.196SC..EExtended strand (participates in β ladder)trans-63.1122.4168.7-69-27.3000110F217 Q230 P272N207-F217 WeakPolarHBondContact OD1-CD1 3.45Å; N207-F217 WeakPolarHBondContact OD1-CE1 3.39Å; N207-Q230 PolarHBondContact OD1-NE2 3.04Å; N207-P272 WeakPolarHBondContact O-CD 3.33Å
208I98.1Very high97.6Very high4 Ų438.4 Ų38.42%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-131.6171.3175.961.2154.5000110.6F206 L216 L218 I227 F269 Y270 F576F206-I208 PolarHBondContact O-N 3.26Å; I208-L216 HydrophobicContact CG1-CB 4.18Å; I208-L216 WeakPolarHBondContact CG1-O 3.21Å; I208-L216 PolarHBondContact N-O 2.72Å; I208-L216 PolarHBondContact O-N 2.79Å; I208-L216 VanDerWaalsContact O-N 3.15Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.11Å; I208-L218 HydrophobicContact CG2-CB 3.95Å; I208-I227 HydrophobicContact CD1-CD1 4.29Å; I208-F269 HydrophobicContact CB-CB 4.46Å; I208-F269 HydrophobicContact CB-CD2 3.86Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.88Å; I208-F269 HydrophobicContact CD1-CD1 4.47Å; I208-F269 HydrophobicContact CD1-CD2 4.19Å; I208-F269 HydrophobicContact CD1-CG 3.95Å; I208-F269 HydrophobicContact CG2-CD2 3.48Å; I208-F269 VanDerWaalsContact CG2-CD2 3.48Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.35Å; I208-Y270 CarbonylContact C-O 3.52Å; I208-Y270 WeakPolarHBondContact CA-O 3.46Å; I208-F576 HydrophobicContact CD1-CE2 4.02Å; I208-F576 HydrophobicContact CD1-CZ 4.24Å
209K98.4Very high97.6Very high77 Ų7738 Ų3834%0.33519%0.189SC..EExtended strand (participates in β ladder)trans-131.3146.1167.3-69.4175.2176.3-87.40111.3G213 T214 E215 F269 Y270K209-G213 WeakPolarHBondContact CD-O 3.39Å; K209-G213 WeakPolarHBondContact CG-O 3.22Å; K209-G213 PolarHBondContact NZ-O 2.9Å; K209-T214 VanDerWaalsContact CA-O 3.27Å; K209-T214 WeakPolarHBondContact CA-O 3.24Å; K209-E215 WeakPolarHBondContact CE-OE1 3.33Å; K209-E215 HydrophobicContact CG-CG 4.24Å; K209-E215 IonicContact NZ-OE1 3.65Å; K209-E215 PolarHBondContact NZ-OE1 2.89Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.49Å; K209-F269 WeakPolarHBondContact O-CB 3.36Å; K209-Y270 PolarHBondContact N-O 3.35Å; K209-Y270 PolarHBondContact O-N 3.35Å
210N97.1Very high97.6Very high2 Ų236.9 Ų36.91%0.01118%0.184CC..  trans-78-172.4166.971.43.6000111.1K212 G213 T214 L216 F576 M579N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.84Å; N210-K212 WeakPolarHBondContact OD1-CB 3.42Å; N210-K212 PolarHBondContact OD1-N 2.91Å; N210-K212 VanDerWaalsContact OD1-N 3.08Å; N210-G213 PolarHBondContact O-N 2.91Å; N210-G213 PolarHBondContact OD1-N 2.88Å; N210-T214 PolarHBondContact OD1-N 3.15Å; N210-T214 VanDerWaalsContact OD1-N 3.16Å; N210-L216 HydrophobicContact CB-CD1 4.49Å; N210-F576 HydrophobicContact CB-CD1 4.04Å; N210-F576 HydrophobicContact CB-CE1 3.36Å; N210-F576 HydrophobicContact CB-CE2 4.1Å; N210-F576 HydrophobicContact CB-CZ 3.4Å; N210-F576 VanDerWaalsContact CB-CZ 3.4Å; N210-F576 PolarHBondContact ND2-O 3.32Å; N210-M579 PolarHBondContact ND2-OXT 2.93Å
211K95.4Very high97.6Very high117 Ų11736.6 Ų36.651%0.50918%0.183SC..THydrogen-bonded Turntrans-68.5-25.1-179.6-64.2176.8-172.8860113.4Y270 E577K211-Y270 HydrophobicContact CG-CE2 4.18Å; K211-E577 VanDerWaalsContact CB-OE2 3.22Å; K211-E577 WeakPolarHBondContact CB-OE2 3.48Å; K211-E577 WeakPolarHBondContact CG-OE1 3.4Å; K211-E577 WeakPolarHBondContact CG-OE2 2.92Å; K211-E577 PolarHBondContact N-OE2 3.03Å; K211-E577 IonicContact NZ-OE1 3.26Å; K211-E577 PolarHBondContact NZ-OE1 2.98Å
212K95.4Very high97.5Very high138 Ų13836.4 Ų36.460%0.618%0.184SC*.THydrogen-bonded Turntrans-76.3-23.8174.8-69.8172172.1161.30113N210 E577 C578N210-K212 VanDerWaalsContact C-N 3.29Å; N210-K212 PolarHBondContact O-N 2.84Å; N210-K212 WeakPolarHBondContact OD1-CB 3.42Å; N210-K212 PolarHBondContact OD1-N 2.91Å; N210-K212 VanDerWaalsContact OD1-N 3.08Å; K212-E577 WeakPolarHBondContact CD-O 3.44Å; K212-E577 WeakPolarHBondContact CE-O 3.36Å; K212-E577 PolarHBondContact NZ-O 3.24Å; K212-C578 VanDerWaalsContact NZ-C 3.35Å; K212-C578 VanDerWaalsContact NZ-CA 3.32Å; K212-C578 PolarHBondContact NZ-O 3.01Å
213G95.4Very high97.5Very high28 Ų2836.5 Ų36.529%0.28918%0.181SC..  trans100.24.4-178.400000114.8K209 N210 E215K209-G213 WeakPolarHBondContact CD-O 3.39Å; K209-G213 WeakPolarHBondContact CG-O 3.22Å; K209-G213 PolarHBondContact NZ-O 2.9Å; N210-G213 PolarHBondContact O-N 2.91Å; N210-G213 PolarHBondContact OD1-N 2.88Å; G213-E215 PolarHBondContact O-N 2.79Å
214T97.7Very high97.4Very high46 Ų4635.8 Ų35.828%0.28218%0.177SC..  trans-53.4133.3174-51.90000110.2K209 N210 L216 M579K209-T214 VanDerWaalsContact CA-O 3.27Å; K209-T214 WeakPolarHBondContact CA-O 3.24Å; N210-T214 PolarHBondContact OD1-N 3.15Å; N210-T214 VanDerWaalsContact OD1-N 3.16Å; T214-L216 HydrophobicContact CG2-CD2 4.1Å; T214-L216 HydrophobicContact CG2-CG 4.15Å; T214-M579 HydrophobicContact CG2-CB 4.48Å; T214-M579 VanDerWaalsContact CG2-O 3.28Å; T214-M579 WeakPolarHBondContact CG2-O 3.45Å; T214-M579 VanDerWaalsContact OG1-C 3.3Å; T214-M579 PolarHBondContact OG1-O 2.85Å; T214-M579 VanDerWaalsContact OG1-O 3.1Å; T214-M579 PolarHBondContact OG1-OXT 2.59Å
215E97.9Very high97.5Very high107 Ų10734 Ų3450%0.517%0.168SC..EExtended strand (participates in β ladder)trans-85.8124.5178.9-64-166.7172.300110.5K209 G213 Q230K209-E215 WeakPolarHBondContact CE-OE1 3.33Å; K209-E215 HydrophobicContact CG-CG 4.24Å; K209-E215 IonicContact NZ-OE1 3.65Å; K209-E215 PolarHBondContact NZ-OE1 2.89Å; G213-E215 PolarHBondContact O-N 2.79Å; E215-Q230 HydrophobicContact CB-CG 4.32Å
216L98.3Very high97.5Very high2 Ų232 Ų321%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-141.6155.3-172-61.6170.7000109.3I208 N210 T214 I227 Y228 F576 M579I208-L216 HydrophobicContact CG1-CB 4.18Å; I208-L216 WeakPolarHBondContact CG1-O 3.21Å; I208-L216 PolarHBondContact N-O 2.72Å; I208-L216 PolarHBondContact O-N 2.79Å; I208-L216 VanDerWaalsContact O-N 3.15Å; N210-L216 HydrophobicContact CB-CD1 4.49Å; T214-L216 HydrophobicContact CG2-CD2 4.1Å; T214-L216 HydrophobicContact CG2-CG 4.15Å; L216-I227 HydrophobicContact CB-CG2 4.25Å; L216-I227 HydrophobicContact CD1-CG2 4.06Å; L216-Y228 WeakPolarHBondContact CA-O 3.48Å; L216-F576 HydrophobicContact CD1-CD2 4.08Å; L216-F576 HydrophobicContact CD1-CE2 3.66Å; L216-F576 HydrophobicContact CD1-CZ 4.46Å; L216-M579 HydrophobicContact CD1-CB 4.34Å; L216-M579 HydrophobicContact CD1-SD 4.16Å; L216-M579 HydrophobicContact CD2-CB 4.48Å; L216-M579 HydrophobicContact CD2-CE 3.71Å; L216-M579 HydrophobicContact CD2-SD 4.08Å
217F98.4Very high97.6Very high17 Ų1731.3 Ų31.38%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-94.7134.7165.2-66.1-80.3000111Y205 F206 N207 I227 Y228 Q230 K233Y205-F217 HydrophobicContact CD1-CB 4.23Å; Y205-F217 HydrophobicContact CD1-CG 4.47Å; F206-F217 WeakPolarHBondContact O-CA 3.27Å; N207-F217 WeakPolarHBondContact OD1-CD1 3.45Å; N207-F217 WeakPolarHBondContact OD1-CE1 3.39Å; F217-I227 WeakPolarHBondContact O-CA 3.43Å; F217-Y228 HydrophobicContact CB-CD2 4.37Å; F217-Y228 PolarHBondContact N-O 2.86Å; F217-Y228 PolarHBondContact O-N 3.13Å; F217-Q230 HydrophobicContact CE2-CG 4.48Å; F217-K233 HydrophobicContact CD2-CG 4.05Å; F217-K233 HydrophobicContact CE2-CD 4.45Å; F217-K233 HydrophobicContact CE2-CG 3.99Å; F217-K233 HydrophobicContact CZ-CD 4.5Å
218L98.6Very high97.7Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-90.9120.5157.4178.371.5000108.4Y205 F206 I208 V220 L225 I227 F269 I280Y205-L218 CarbonylContact C-O 3.58Å; Y205-L218 WeakPolarHBondContact CA-O 3.06Å; F206-L218 PolarHBondContact N-O 3.46Å; F206-L218 PolarHBondContact O-N 2.76Å; I208-L218 HydrophobicContact CD1-CB 3.95Å; I208-L218 HydrophobicContact CG1-CB 4.11Å; I208-L218 HydrophobicContact CG2-CB 3.95Å; L218-V220 HydrophobicContact CD2-CG2 3.95Å; L218-V220 HydrophobicContact CG-CG2 4.07Å; L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; L218-I227 HydrophobicContact CD1-CD1 3.7Å; L218-F269 HydrophobicContact CD2-CE1 3.98Å; L218-F269 HydrophobicContact CD2-CE2 4.08Å; L218-F269 HydrophobicContact CD2-CZ 3.5Å; L218-F269 VanDerWaalsContact CD2-CZ 3.5Å; L218-I280 HydrophobicContact CD2-CD1 4.17Å; L218-I280 HydrophobicContact CD2-CG2 3.91Å
219G98.5Very high97.6Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-90.8134.6161.600000110.7N226G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 2.94Å
220V98.6Very high97.4Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-118.6119.5171.4-1720000108.4N204 F206 L218 L225 W242 I280 L283N204-V220 HydrophobicContact CB-CB 4.35Å; N204-V220 WeakPolarHBondContact CB-O 3.31Å; N204-V220 PolarHBondContact N-O 3Å; N204-V220 PolarHBondContact O-N 2.73Å; F206-V220 HydrophobicContact CD2-CG2 4.12Å; F206-V220 HydrophobicContact CE2-CG2 4.04Å; L218-V220 HydrophobicContact CD2-CG2 3.95Å; L218-V220 HydrophobicContact CG-CG2 4.07Å; V220-L225 HydrophobicContact CB-CD2 4.16Å; V220-L225 HydrophobicContact CG1-CD2 3.93Å; V220-L225 HydrophobicContact CG2-CD2 3.78Å; V220-W242 HydrophobicContact CG1-CH2 4.08Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; V220-L283 HydrophobicContact CG1-CB 4.07Å
221D98.1Very high97.2Very high10 Ų1036.1 Ų36.15%0.05318%0.181CC..  trans-136.7-172.6-177.565.937.9000112V203 L223 G224 N226 W242 N287V203-D221 HydrophobicContact CG2-CB 4.37Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.01Å; D221-L223 WeakPolarHBondContact OD1-CA 3.35Å; D221-L223 WeakPolarHBondContact OD1-CB 3.36Å; D221-L223 PolarHBondContact OD1-N 3.44Å; D221-G224 PolarHBondContact N-O 2.95Å; D221-G224 PolarHBondContact OD1-N 2.88Å; D221-N226 PolarHBondContact OD2-ND2 3.45Å; D221-W242 WeakPolarHBondContact O-CZ2 3.28Å; D221-W242 PolarHBondContact O-NE1 3.26Å; D221-N287 WeakPolarHBondContact O-CB 3.42Å; D221-N287 PolarHBondContact O-ND2 3.47Å
222A97.3Very high97.3Very high8 Ų831 Ų317%0.06616%0.159CC..SBendtrans-72.9-19.1179.900000113.8E87 W242E87-A222 HydrophobicContact CG-CB 3.89Å; A222-W242 VanDerWaalsContact O-CD1 3.32Å; A222-W242 PolarHBondContact O-NE1 2.92Å
223L96.3Very high97.4Very high13 Ų1328.2 Ų28.27%0.06815%0.147CC..SBendtrans-100.3-19.7-174.2-61.6167.3000113E87 D221 E507 Y558 L561 R565E87-L223 HydrophobicContact CB-CD2 4.24Å; E87-L223 HydrophobicContact CG-CD2 3.77Å; E87-L223 HydrophobicContact CG-CG 4.45Å; D221-L223 VanDerWaalsContact C-N 3.3Å; D221-L223 PolarHBondContact O-N 3.01Å; D221-L223 WeakPolarHBondContact OD1-CA 3.35Å; D221-L223 WeakPolarHBondContact OD1-CB 3.36Å; D221-L223 PolarHBondContact OD1-N 3.44Å; L223-E507 HydrophobicContact CD2-CB 3.98Å; L223-Y558 HydrophobicContact CD1-CE1 4.46Å; L223-L561 HydrophobicContact CD1-CD1 3.79Å; L223-R565 PolarHBondContact O-NH1 3.24Å; L223-R565 PolarHBondContact O-NH2 3.2Å
224G97.1Very high97.4Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans161.2-145.4175.700000115.2D221 F240 W242D221-G224 PolarHBondContact N-O 2.95Å; D221-G224 PolarHBondContact OD1-N 2.88Å; G224-F240 WeakPolarHBondContact CA-O 3.2Å; G224-W242 WeakPolarHBondContact O-CZ2 3.48Å
225L98.6Very high97.4Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-120.1129173.6-63.4179.8000109.7L218 V220 G239 F240 W242 I245 I257L218-L225 HydrophobicContact CD1-CB 4.29Å; L218-L225 HydrophobicContact CD1-CD2 4.28Å; V220-L225 HydrophobicContact CB-CD2 4.16Å; V220-L225 HydrophobicContact CG1-CD2 3.93Å; V220-L225 HydrophobicContact CG2-CD2 3.78Å; L225-G239 WeakPolarHBondContact O-CA 3.49Å; L225-F240 PolarHBondContact N-O 2.96Å; L225-F240 PolarHBondContact O-N 2.89Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.31Å; L225-W242 HydrophobicContact CD2-CH2 3.51Å; L225-W242 HydrophobicContact CD2-CZ2 4.12Å; L225-W242 HydrophobicContact CD2-CZ3 4.21Å; L225-W242 HydrophobicContact CG-CH2 3.77Å; L225-W242 HydrophobicContact CG-CZ2 4.43Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; L225-I245 HydrophobicContact CD1-CD1 3.69Å; L225-I245 HydrophobicContact CG-CD1 4.09Å; L225-I257 HydrophobicContact CD1-CD1 3.28Å
226N98.6Very high97.4Very high3 Ų320.7 Ų20.72%0.01610%0.103CC..EExtended strand (participates in β ladder)trans-124144-180-45.7-44.6000110.1G219 D221 Y228 P236 I238G219-N226 PolarHBondContact N-O 3.02Å; G219-N226 PolarHBondContact O-N 2.94Å; D221-N226 PolarHBondContact OD2-ND2 3.45Å; N226-Y228 HydrophobicContact CB-CE2 3.67Å; N226-P236 HydrophobicContact CB-CB 3.88Å; N226-P236 HydrophobicContact CB-CG 4.49Å; N226-I238 CarbonylContact C-O 3.55Å; N226-I238 WeakPolarHBondContact CA-O 3.49Å
227I98.6Very high97.4Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-108.9136.3176.8-48.4-59.9000109.7I208 L216 F217 L218 P236 K237 I238 F267 F576 M579I208-I227 HydrophobicContact CD1-CD1 4.29Å; L216-I227 HydrophobicContact CB-CG2 4.25Å; L216-I227 HydrophobicContact CD1-CG2 4.06Å; F217-I227 WeakPolarHBondContact O-CA 3.43Å; L218-I227 HydrophobicContact CD1-CD1 3.7Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.39Å; I227-K237 PolarHBondContact O-N 3.41Å; I227-I238 HydrophobicContact CB-CB 4.19Å; I227-I238 HydrophobicContact CG1-CB 4.23Å; I227-I238 PolarHBondContact N-O 3.13Å; I227-F267 HydrophobicContact CD1-CZ 3.81Å; I227-F576 HydrophobicContact CD1-CD2 4.32Å; I227-F576 HydrophobicContact CD1-CE2 4.23Å; I227-F576 HydrophobicContact CG1-CD2 4.05Å; I227-F576 HydrophobicContact CG1-CE2 4.44Å; I227-F576 HydrophobicContact CG2-CD2 4Å; I227-F576 HydrophobicContact CG2-CE2 4.17Å; I227-M579 HydrophobicContact CG2-SD 4.29Å
228Y98.6Very high97.4Very high3 Ų323.1 Ų23.11%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-131.2155.1-179.9-46.2-116.3000111.1V203 Y205 L216 F217 N226 D232 K233 P236V203-Y228 HydrophobicContact CG1-CE2 4.44Å; Y205-Y228 HydrophobicContact CD1-CE2 4.48Å; Y205-Y228 HydrophobicContact CE1-CD1 4.38Å; Y205-Y228 HydrophobicContact CE1-CD2 4.28Å; Y205-Y228 HydrophobicContact CE1-CE1 4.08Å; Y205-Y228 HydrophobicContact CE1-CE2 4.02Å; Y205-Y228 HydrophobicContact CE1-CG 4.49Å; Y205-Y228 AromaticContact CE1-CZ 3.92Å; L216-Y228 WeakPolarHBondContact CA-O 3.48Å; F217-Y228 HydrophobicContact CB-CD2 4.37Å; F217-Y228 PolarHBondContact N-O 2.86Å; F217-Y228 PolarHBondContact O-N 3.13Å; N226-Y228 HydrophobicContact CB-CE2 3.67Å; Y228-D232 VanDerWaalsContact CB-O 3.31Å; Y228-D232 WeakPolarHBondContact CB-O 3.43Å; Y228-K233 VanDerWaalsContact CD1-C 3.48Å; Y228-K233 WeakPolarHBondContact CD1-O 3.2Å; Y228-K233 WeakPolarHBondContact CE1-O 3.29Å; Y228-P236 HydrophobicContact CD1-CB 3.81Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.42Å; Y228-P236 HydrophobicContact CE1-CB 3.62Å; Y228-P236 HydrophobicContact CE1-CG 3.92Å; Y228-P236 HydrophobicContact CE2-CB 4.21Å; Y228-P236 HydrophobicContact CG-CB 4.2Å
229E97.2Very high97.3Very high73 Ų7323.1 Ų23.134%0.34111%0.113SC..EExtended strand (participates in β ladder)trans-77.9156.1173.8-65.9167.9161.600110.7N231 D232 K237 M579E229-N231 VanDerWaalsContact CB-OD1 3.27Å; E229-N231 WeakPolarHBondContact CB-OD1 3.33Å; E229-N231 PolarHBondContact O-N 3.11Å; E229-D232 PolarHBondContact O-N 3.25Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.33Å; E229-K237 IonicContact OE2-NZ 2.6Å; E229-M579 HydrophobicContact CG-CE 3.57Å
230Q93.9Very high97.3Very high77 Ų7723.4 Ų23.436%0.3612%0.115SC..THydrogen-bonded Turntrans-65.4-14.1-171.7-159.361.624.500114.3N207 E215 F217N207-Q230 PolarHBondContact OD1-NE2 3.04Å; E215-Q230 HydrophobicContact CB-CG 4.32Å; F217-Q230 HydrophobicContact CE2-CG 4.48Å
231N93.8Very high97.2Very high116 Ų11623.5 Ų23.562%0.6212%0.115SC*.THydrogen-bonded Turntrans-104.2-11.4-179.460.6-36.7000114.7E229E229-N231 VanDerWaalsContact CB-OD1 3.27Å; E229-N231 WeakPolarHBondContact CB-OD1 3.33Å; E229-N231 PolarHBondContact O-N 3.11Å
232D96.8Very high97.1Very high10 Ų1023 Ų235%0.05311%0.113CC..  trans-136.5109-175.6173.87000110.3Y228 E229 M234 T235 K237 I546Y228-D232 VanDerWaalsContact CB-O 3.31Å; Y228-D232 WeakPolarHBondContact CB-O 3.43Å; E229-D232 PolarHBondContact O-N 3.25Å; D232-M234 PolarHBondContact OD1-N 3.06Å; D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.21Å; D232-T235 WeakPolarHBondContact OD2-CB 3.26Å; D232-T235 PolarHBondContact OD2-OG1 3.39Å; D232-K237 IonicContact OD2-NZ 2.67Å; D232-K237 PolarHBondContact OD2-NZ 3.18Å; D232-I546 HydrophobicContact CB-CD1 3.94Å
233K96.6Very high96.9Very high79 Ų7923.5 Ų23.534%0.34312%0.116SC..SBendtrans-94-2177.2-72.9-177-177171.10114.2M200 Y205 F217 Y228M200-K233 HydrophobicContact CE-CB 4.44Å; M200-K233 HydrophobicContact CE-CD 4.36Å; Y205-K233 HydrophobicContact CD1-CB 4.41Å; Y205-K233 HydrophobicContact CD1-CD 4.29Å; Y205-K233 HydrophobicContact CD1-CG 4.19Å; Y205-K233 HydrophobicContact CE1-CB 3.75Å; Y205-K233 HydrophobicContact CE1-CD 4.35Å; Y205-K233 HydrophobicContact CE1-CG 4.04Å; Y205-K233 WeakPolarHBondContact CE1-O 3.23Å; Y205-K233 HydrophobicContact CG-CD 4.5Å; Y205-K233 PolarHBondContact OH-O 3.33Å; F217-K233 HydrophobicContact CD2-CG 4.05Å; F217-K233 HydrophobicContact CE2-CD 4.45Å; F217-K233 HydrophobicContact CE2-CG 3.99Å; F217-K233 HydrophobicContact CZ-CD 4.5Å; Y228-K233 VanDerWaalsContact CD1-C 3.48Å; Y228-K233 WeakPolarHBondContact CD1-O 3.2Å; Y228-K233 WeakPolarHBondContact CE1-O 3.29Å
234M95.8Very high96.8Very high5 Ų524.4 Ų24.43%0.02512%0.12CC..SBendtrans-107.4-36.2-170.5-56.9-165.1-52.700111.7Y116 E199 M200 D232 P236 N543 I546 H547Y116-M234 HydrophobicContact CD1-CE 4.21Å; Y116-M234 HydrophobicContact CD1-SD 3.39Å; Y116-M234 WeakPolarHBondContact CD1-SD 3.43Å; Y116-M234 HydrophobicContact CD2-SD 4.4Å; Y116-M234 HydrophobicContact CE1-CE 4.37Å; Y116-M234 HydrophobicContact CE1-SD 4.12Å; Y116-M234 HydrophobicContact CG-SD 3.56Å; Y116-M234 VanDerWaalsContact CG-SD 3.56Å; E199-M234 HydrophobicContact CB-CB 3.84Å; E199-M234 HydrophobicContact CB-CG 4.4Å; E199-M234 HydrophobicContact CG-CB 4.22Å; M200-M234 HydrophobicContact CG-CG 3.91Å; M200-M234 HydrophobicContact CG-SD 4.49Å; M200-M234 HydrophobicContact SD-CG 4.09Å; M200-M234 HydrophobicContact SD-SD 4.36Å; D232-M234 PolarHBondContact OD1-N 3.06Å; M234-P236 WeakPolarHBondContact O-CD 3.37Å; M234-N543 HydrophobicContact CE-CB 3.89Å; M234-N543 VanDerWaalsContact CE-O 3.26Å; M234-N543 WeakPolarHBondContact CE-O 3.48Å; M234-N543 HydrophobicContact SD-CB 4.09Å; M234-I546 HydrophobicContact CB-CG2 4.4Å; M234-I546 HydrophobicContact CE-CB 3.8Å; M234-I546 HydrophobicContact CE-CG2 3.71Å; M234-H547 HydrophobicContact CE-CB 3.91Å
235T97.7Very high96.7Very high7 Ų724.6 Ų24.64%0.04312%0.121CC..SBendtrans-103.290.4177-18.40000109.8D232 K237 I546 N550 T560D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.21Å; D232-T235 WeakPolarHBondContact OD2-CB 3.26Å; D232-T235 PolarHBondContact OD2-OG1 3.39Å; T235-K237 WeakPolarHBondContact O-CD 3.48Å; T235-K237 WeakPolarHBondContact O-CE 3.41Å; T235-K237 PolarHBondContact O-NZ 3.07Å; T235-I546 WeakPolarHBondContact OG1-CG2 3.48Å; T235-N550 WeakPolarHBondContact CG2-OD1 3.47Å; T235-N550 PolarHBondContact OG1-ND2 3Å; T235-N550 PolarHBondContact OG1-OD1 3.21Å; T235-T560 HydrophobicContact CG2-CG2 4.09Å
236P98Very high96.3Very high11 Ų1127.7 Ų27.77%0.07113%0.132CC..  trans-60.6154.4171.425.9-32.6000110.7N226 I227 Y228 M234 T560 I564N226-P236 HydrophobicContact CB-CB 3.88Å; N226-P236 HydrophobicContact CB-CG 4.49Å; I227-P236 CarbonylContact O-C 3.59Å; I227-P236 WeakPolarHBondContact O-CA 3.39Å; Y228-P236 HydrophobicContact CD1-CB 3.81Å; Y228-P236 HydrophobicContact CD1-CG 4.47Å; Y228-P236 HydrophobicContact CD2-CB 4.42Å; Y228-P236 HydrophobicContact CE1-CB 3.62Å; Y228-P236 HydrophobicContact CE1-CG 3.92Å; Y228-P236 HydrophobicContact CE2-CB 4.21Å; Y228-P236 HydrophobicContact CG-CB 4.2Å; M234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-T560 HydrophobicContact CG-CG2 4.16Å; P236-I564 HydrophobicContact CB-CD1 3.68Å; P236-I564 HydrophobicContact CG-CD1 3.66Å; P236-I564 WeakPolarHBondContact O-CG2 3.48Å
237K97.9Very high96Very high64 Ų6428.7 Ų28.728%0.27814%0.138SC..SBendtrans-107.4-30.5-177.8-46.9-50.9-175.1-144.40113.1I227 E229 D232 T235 I564 M579I227-K237 PolarHBondContact O-N 3.41Å; E229-K237 HydrophobicContact CG-CG 4Å; E229-K237 WeakPolarHBondContact OE2-CE 3.33Å; E229-K237 IonicContact OE2-NZ 2.6Å; D232-K237 IonicContact OD2-NZ 2.67Å; D232-K237 PolarHBondContact OD2-NZ 3.18Å; T235-K237 WeakPolarHBondContact O-CD 3.48Å; T235-K237 WeakPolarHBondContact O-CE 3.41Å; T235-K237 PolarHBondContact O-NZ 3.07Å; K237-I564 WeakPolarHBondContact O-CG2 3.37Å; K237-M579 HydrophobicContact CB-CE 4.22Å; K237-M579 HydrophobicContact CG-CE 4.05Å
238I98.3Very high95.8Very high6 Ų629 Ų293%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-138.6136.8-177-54175000108.8N226 I227 F240 R572 E575 F576 M579N226-I238 CarbonylContact C-O 3.55Å; N226-I238 WeakPolarHBondContact CA-O 3.49Å; I227-I238 HydrophobicContact CB-CB 4.19Å; I227-I238 HydrophobicContact CG1-CB 4.23Å; I227-I238 PolarHBondContact N-O 3.13Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.9Å; I238-R572 HydrophobicContact CG2-CB 3.79Å; I238-R572 HydrophobicContact CG2-CG 4.12Å; I238-E575 HydrophobicContact CD1-CB 3.87Å; I238-F576 VanDerWaalsContact CD1-CA 3.46Å; I238-F576 HydrophobicContact CD1-CB 3.77Å; I238-F576 VanDerWaalsContact CD1-N 3.31Å; I238-M579 HydrophobicContact CD1-SD 3.87Å
239G97.8Very high95.5Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-132.6146.7179.200000114.3L225 I564 R572L225-G239 WeakPolarHBondContact O-CA 3.49Å; G239-I564 PolarHBondContact N-O 3.44Å; G239-R572 WeakPolarHBondContact O-CD 3.47Å; G239-R572 PolarHBondContact O-NH1 2.84Å
240F97.6Very high95.3Very high6 Ų630.1 Ų30.13%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-129.5112.3172.8-56.8-80.8000108.7G224 L225 I238 F267 T569 R572 I573G224-F240 WeakPolarHBondContact CA-O 3.2Å; L225-F240 PolarHBondContact N-O 2.96Å; L225-F240 PolarHBondContact O-N 2.89Å; I238-F240 HydrophobicContact CG2-CE2 3.83Å; I238-F240 HydrophobicContact CG2-CZ 3.9Å; F240-F267 HydrophobicContact CD2-CD1 4.5Å; F240-F267 HydrophobicContact CD2-CE1 4.4Å; F240-F267 HydrophobicContact CE2-CD1 4.35Å; F240-F267 HydrophobicContact CE2-CD2 4.49Å; F240-F267 HydrophobicContact CE2-CE1 4.28Å; F240-F267 HydrophobicContact CE2-CE2 4.41Å; F240-F267 HydrophobicContact CE2-CG 4.49Å; F240-F267 HydrophobicContact CE2-CZ 4.33Å; F240-T569 HydrophobicContact CD1-CG2 3.99Å; F240-T569 HydrophobicContact CE1-CG2 3.97Å; F240-R572 HydrophobicContact CE1-CB 3.67Å; F240-R572 HydrophobicContact CZ-CB 3.84Å; F240-I573 HydrophobicContact CE1-CG1 3.89Å; F240-I573 HydrophobicContact CZ-CG1 3.8Å
241P96.8Very high95.2Very high2 Ų232.7 Ų32.71%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-67.2155.7174.630.3-35000110.5S243 E244P241-S243 PolarHBondContact O-N 3.1Å; P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.86Å; P241-E244 PolarHBondContact O-N 3.28Å
242W96Very high95.1Very high0 Ų031 Ų310%016%0.156CC..G310 helixtrans-57.9-32.9176.8-71.3122.8000112.6V220 D221 A222 G224 L225 E244 I245 I248 C284 N287 H288 Y291V220-W242 HydrophobicContact CG1-CH2 4.08Å; V220-W242 HydrophobicContact CG1-CZ2 3.99Å; D221-W242 WeakPolarHBondContact O-CZ2 3.28Å; D221-W242 PolarHBondContact O-NE1 3.26Å; A222-W242 VanDerWaalsContact O-CD1 3.32Å; A222-W242 PolarHBondContact O-NE1 2.92Å; G224-W242 WeakPolarHBondContact O-CZ2 3.48Å; L225-W242 HydrophobicContact CD1-CH2 4.41Å; L225-W242 HydrophobicContact CD1-CZ3 4.31Å; L225-W242 HydrophobicContact CD2-CH2 3.51Å; L225-W242 HydrophobicContact CD2-CZ2 4.12Å; L225-W242 HydrophobicContact CD2-CZ3 4.21Å; L225-W242 HydrophobicContact CG-CH2 3.77Å; L225-W242 HydrophobicContact CG-CZ2 4.43Å; L225-W242 HydrophobicContact CG-CZ3 4.01Å; W242-E244 PolarHBondContact O-N 3.29Å; W242-E244 VanDerWaalsContact O-N 3.15Å; W242-I245 HydrophobicContact CE3-CD1 3.71Å; W242-I245 HydrophobicContact CZ3-CD1 3.81Å; W242-I245 PolarHBondContact O-N 3.5Å; W242-I248 HydrophobicContact CZ3-CD1 4.04Å; W242-C284 HydrophobicContact CH2-CB 3.57Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; W242-N287 HydrophobicContact CZ2-CB 3.69Å; W242-H288 HydrophobicContact CD2-CB 4.05Å; W242-H288 HydrophobicContact CE3-CB 3.83Å; W242-H288 HydrophobicContact CG-CB 4.45Å; W242-H288 HydrophobicContact CZ3-CB 4.4Å; W242-Y291 HydrophobicContact CB-CD1 3.43Å; W242-Y291 VanDerWaalsContact CB-CD1 3.43Å; W242-Y291 HydrophobicContact CB-CD2 3.8Å; W242-Y291 HydrophobicContact CB-CE1 3.66Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.63Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.34Å; W242-Y291 HydrophobicContact CG-CD2 4.12Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å
243S92.7Very high94.9Very high19 Ų1935.7 Ų35.713%0.13318%0.176CC..G310 helixtrans-63.7-1017451.90000115.8P241 I260 Y291P241-S243 PolarHBondContact O-N 3.1Å; S243-I260 WeakPolarHBondContact O-CD1 2.94Å; S243-Y291 WeakPolarHBondContact CB-OH 3.43Å; S243-Y291 PolarHBondContact OG-OH 2.78Å
244E94.7Very high94.9Very high32 Ų3236.3 Ų36.315%0.1518%0.179CC..G310 helixtrans-93.6-7.9171.6-83.6-177.3-15000113.7P241 W242 P259 I260 T569 R572P241-E244 HydrophobicContact CG-CB 4.16Å; P241-E244 HydrophobicContact CG-CG 3.86Å; P241-E244 PolarHBondContact O-N 3.28Å; W242-E244 PolarHBondContact O-N 3.29Å; W242-E244 VanDerWaalsContact O-N 3.15Å; E244-P259 CarbonylContact O-C 3.42Å; E244-P259 VanDerWaalsContact O-CA 3.26Å; E244-P259 WeakPolarHBondContact O-CA 3.38Å; E244-I260 PolarHBondContact O-N 3.41Å; E244-T569 VanDerWaalsContact CD-OG1 3.25Å; E244-T569 WeakPolarHBondContact OE2-CB 3.31Å; E244-T569 WeakPolarHBondContact OE2-CG2 3.23Å; E244-T569 PolarHBondContact OE2-OG1 3.23Å; E244-R572 IonicContact OE1-CZ 2.67Å; E244-R572 IonicContact OE1-NH1 3.03Å; E244-R572 PolarHBondContact OE1-NH1 3.43Å; E244-R572 IonicContact OE1-NH2 2.7Å; E244-R572 PolarHBondContact OE1-NH2 2.88Å; E244-R572 IonicContact OE2-CZ 3.74Å; E244-R572 IonicContact OE2-NH1 2.69Å; E244-R572 PolarHBondContact OE2-NH1 3.38Å; E244-R572 IonicContact OE2-NH2 3.17Å; E244-R572 PolarHBondContact OE2-NH2 2.67Å
245I94.3Very high95Very high4 Ų436.1 Ų36.12%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-105.6127.5-167.7-59.4169.6000111.4L225 W242 I248 I257 F496L225-I245 HydrophobicContact CD1-CD1 3.69Å; L225-I245 HydrophobicContact CG-CD1 4.09Å; W242-I245 HydrophobicContact CE3-CD1 3.71Å; W242-I245 HydrophobicContact CZ3-CD1 3.81Å; W242-I245 PolarHBondContact O-N 3.5Å; I245-I248 HydrophobicContact CG2-CD1 4Å; I245-I248 HydrophobicContact CG2-CG1 3.74Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 4.32Å; I245-I257 HydrophobicContact CG1-CG2 4.11Å; I245-I257 HydrophobicContact CG2-CG2 3.63Å; I245-F496 HydrophobicContact CB-CD2 4.43Å; I245-F496 HydrophobicContact CG2-CD2 3.89Å; I245-F496 HydrophobicContact CG2-CE2 3.88Å
246R91.4Very high95Very high64 Ų6436.6 Ų36.624%0.24218%0.181CC..EExtended strand (participates in β ladder)trans-100-38.2-176.4-161-154.6-46.9-81.41113.5K258 P259 I260 D261 K262 F496R246-K258 WeakPolarHBondContact CB-O 3.49Å; R246-K258 PolarHBondContact N-O 3.47Å; R246-P259 WeakPolarHBondContact CB-O 3.49Å; R246-P259 PolarHBondContact NE-O 3.12Å; R246-P259 PolarHBondContact NH2-O 2.89Å; R246-I260 HydrophobicContact CB-CG1 3.79Å; R246-I260 HydrophobicContact CG-CG1 4.28Å; R246-I260 PolarHBondContact NH1-O 3.1Å; R246-I260 PolarHBondContact NH2-O 2.83Å; R246-D261 PolarHBondContact NH2-O 3.33Å; R246-D261 VanDerWaalsContact NH2-O 3.17Å; R246-K262 VanDerWaalsContact NH2-CG 3.32Å; R246-F496 WeakPolarHBondContact O-CB 3.33Å; R246-F496 PolarHBondContact O-N 3.31Å
247N91.8Very high94.9Very high25 Ų2536.3 Ų36.313%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-157144.5-175.9169.9-108.1000109.8K258 A494N247-K258 HydrophobicContact CB-CB 4.27Å; N247-K258 HydrophobicContact CB-CG 4.46Å; N247-K258 PolarHBondContact N-O 2.92Å; N247-K258 PolarHBondContact O-N 3.05Å; N247-A494 PolarHBondContact ND2-O 2.91Å
248I94.5Very high94.8Very high6 Ų637.2 Ų37.23%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-127.2130.6175.5-60.5-176.6000109.1W242 I245 F255 I257 L281 C284 F496W242-I248 HydrophobicContact CZ3-CD1 4.04Å; I245-I248 HydrophobicContact CG2-CD1 4Å; I245-I248 HydrophobicContact CG2-CG1 3.74Å; I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CE2 4.5Å; I248-F255 HydrophobicContact CG2-CZ 3.36Å; I248-I257 HydrophobicContact CD1-CD1 4.36Å; I248-I257 HydrophobicContact CG1-CD1 4.48Å; I248-I257 HydrophobicContact CG1-CG1 4.25Å; I248-I257 HydrophobicContact CG1-CG2 4.27Å; I248-I257 HydrophobicContact CG2-CG1 4.31Å; I248-L281 HydrophobicContact CB-CD1 4.07Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; I248-C284 HydrophobicContact CD1-CB 3.47Å; I248-C284 VanDerWaalsContact CD1-CB 3.47Å; I248-F496 HydrophobicContact CD1-CE2 3.63Å; I248-F496 HydrophobicContact CD1-CZ 3.91Å; I248-F496 HydrophobicContact CG1-CE2 3.8Å; I248-F496 HydrophobicContact CG1-CZ 4.2Å
249S92.4Very high94.6Very high46 Ų4637.3 Ų37.332%0.32218%0.184SC..EExtended strand (participates in β ladder)trans-146167.2177.662.50000111.3V256S249-V256 PolarHBondContact N-O 3.37Å; S249-V256 PolarHBondContact O-N 3.41Å; S249-V256 VanDerWaalsContact O-O 3.09Å
250F92.4Very high94.3Very high53 Ų5339.4 Ų39.423%0.23219%0.194CC..EExtended strand (participates in β ladder)trans-147.2155.617066.2-102.5000111K254 F255 L274 N277 K278 L281F250-K254 CarbonylContact C-O 3.19Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.34Å; F250-F255 HydrophobicContact CB-CD2 3.58Å; F250-F255 HydrophobicContact CB-CE2 4.09Å; F250-F255 HydrophobicContact CB-CG 4.25Å; F250-F255 HydrophobicContact CD1-CD2 4.23Å; F250-F255 AromaticContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CG-CD2 4.28Å; F250-F255 HydrophobicContact CG-CE2 4.41Å; F250-L274 HydrophobicContact CD2-CD1 4.05Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; F250-N277 HydrophobicContact CB-CB 4.11Å; F250-N277 HydrophobicContact CD1-CB 3.9Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.4Å; F250-N277 HydrophobicContact CG-CB 3.7Å; F250-K278 HydrophobicContact CE1-CG 4.16Å; F250-K278 HydrophobicContact CE2-CG 4.22Å; F250-K278 HydrophobicContact CZ-CB 4.5Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.89Å; F250-L281 HydrophobicContact CE1-CD2 3.56Å; F250-L281 HydrophobicContact CE1-CG 4.35Å
251N91.4Very high94.1Very high132 Ų13242.3 Ų42.371%0.70621%0.21SC*.EExtended strand (participates in β ladder)trans-135.7122.7168.6-169.95.1000109.5K253 K254N251-K253 PolarHBondContact O-N 2.98Å; N251-K254 PolarHBondContact N-O 3.22Å; N251-K254 PolarHBondContact O-N 3.45Å
252D91.3Very high93.8Very high81 Ų8150.9 Ų50.943%0.43325%0.247SC..THydrogen-bonded Turntrans41.3-105.6-164.5-178.943.7000113.2N277D252-N277 PolarHBondContact O-ND2 3.34Å
253K93.8Very high93.6Very high108 Ų10859.8 Ų59.847%0.4729%0.286SS..THydrogen-bonded Turntrans-89.2-26179.3-70.3165-172.5172.60113.7N251 F255 Y270 A271 N277N251-K253 PolarHBondContact O-N 2.98Å; K253-F255 PolarHBondContact O-N 3.48Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K253-A271 WeakPolarHBondContact CB-O 3.45Å; K253-A271 WeakPolarHBondContact CG-O 2.99Å; K253-A271 PolarHBondContact O-N 3.03Å; K253-N277 WeakPolarHBondContact CA-ND2 3.22Å; K253-N277 PolarHBondContact O-ND2 3.49Å
254K95.8Very high93.7Very high92 Ų9259.4 Ų59.440%0.428%0.284SS..EExtended strand (participates in β ladder)trans-77.3120.3-177.2-173.1-172.5-177.4-1710109.9F250 N251 V256 V268 Y270F250-K254 CarbonylContact C-O 3.19Å; F250-K254 VanDerWaalsContact CA-O 3.24Å; F250-K254 WeakPolarHBondContact CA-O 3.43Å; F250-K254 WeakPolarHBondContact CB-O 3.34Å; N251-K254 PolarHBondContact N-O 3.22Å; N251-K254 PolarHBondContact O-N 3.45Å; K254-V256 HydrophobicContact CD-CG2 4.16Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; K254-V268 HydrophobicContact CD-CG1 4.33Å; K254-V268 VanDerWaalsContact CE-CG1 3.42Å; K254-V268 HydrophobicContact CG-CG1 3.97Å; K254-Y270 HydrophobicContact CB-CD1 4.09Å; K254-Y270 HydrophobicContact CB-CE1 3.87Å; K254-Y270 HydrophobicContact CD-CE1 4.45Å; K254-Y270 HydrophobicContact CG-CD1 4.36Å; K254-Y270 HydrophobicContact CG-CE1 3.81Å
255F97.9Very high93.8Very high0 Ų060.3 Ų60.30%029%0.293CS..EExtended strand (participates in β ladder)trans-98.4143.8170.6-149.3-94.3000109.2I248 F250 K253 I257 V268 F269 N277 I280 L281I248-F255 HydrophobicContact CG2-CD1 4.28Å; I248-F255 HydrophobicContact CG2-CE1 3.24Å; I248-F255 HydrophobicContact CG2-CE2 4.5Å; I248-F255 HydrophobicContact CG2-CZ 3.36Å; F250-F255 HydrophobicContact CB-CD2 3.58Å; F250-F255 HydrophobicContact CB-CE2 4.09Å; F250-F255 HydrophobicContact CB-CG 4.25Å; F250-F255 HydrophobicContact CD1-CD2 4.23Å; F250-F255 AromaticContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CD1-CE2 3.9Å; F250-F255 HydrophobicContact CG-CD2 4.28Å; F250-F255 HydrophobicContact CG-CE2 4.41Å; K253-F255 PolarHBondContact O-N 3.48Å; F255-I257 HydrophobicContact CD1-CD1 4.05Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.81Å; F255-V268 WeakPolarHBondContact O-CA 3.37Å; F255-F269 HydrophobicContact CB-CD1 4.24Å; F255-F269 HydrophobicContact CB-CD2 3.77Å; F255-F269 HydrophobicContact CB-CE1 3.93Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.18Å; F255-F269 HydrophobicContact CB-CZ 3.48Å; F255-F269 VanDerWaalsContact CB-CZ 3.48Å; F255-F269 HydrophobicContact CD1-CD1 4.39Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.98Å; F255-F269 HydrophobicContact CD1-CE2 3.98Å; F255-F269 AromaticContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD2-CE2 4.26Å; F255-F269 HydrophobicContact CD2-CZ 4.1Å; F255-F269 HydrophobicContact CE1-CE1 4.15Å; F255-F269 AromaticContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CG-CD2 4.48Å; F255-F269 AromaticContact CG-CE1 3.93Å; F255-F269 HydrophobicContact CG-CE1 3.93Å; F255-F269 AromaticContact CG-CE2 3.65Å; F255-F269 HydrophobicContact CG-CE2 3.65Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.27Å; F255-F269 PolarHBondContact O-N 3.18Å; F255-N277 HydrophobicContact CD2-CB 4.02Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.26Å; F255-N277 HydrophobicContact CE2-CB 4.34Å; F255-I280 HydrophobicContact CE1-CG2 3.97Å; F255-I280 HydrophobicContact CE2-CB 3.96Å; F255-I280 HydrophobicContact CE2-CG2 3.78Å; F255-I280 HydrophobicContact CZ-CB 4.1Å; F255-I280 HydrophobicContact CZ-CG2 3.44Å; F255-I280 VanDerWaalsContact CZ-CG2 3.44Å; F255-L281 HydrophobicContact CE2-CB 4.29Å; F255-L281 HydrophobicContact CZ-CB 4.31Å
256V97.3Very high93.9Very high17 Ų1763.1 Ų63.110%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-138120.6-175.8-174.70000109.3S249 K254 K258 D266 V268S249-V256 PolarHBondContact N-O 3.37Å; S249-V256 PolarHBondContact O-N 3.41Å; S249-V256 VanDerWaalsContact O-O 3.09Å; K254-V256 HydrophobicContact CD-CG2 4.16Å; K254-V256 HydrophobicContact CG-CG2 4.13Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; V256-D266 HydrophobicContact CG1-CB 4Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.43Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.32Å
257I97.2Very high94.2Very high5 Ų560.3 Ų60.33%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-118.1119.9178.9-58.2-167.2000107.8L225 I245 I248 F255 F267 F269L225-I257 HydrophobicContact CD1-CD1 3.28Å; I245-I257 HydrophobicContact CB-CG2 4.48Å; I245-I257 HydrophobicContact CD1-CG2 4.32Å; I245-I257 HydrophobicContact CG1-CG2 4.11Å; I245-I257 HydrophobicContact CG2-CG2 3.63Å; I248-I257 HydrophobicContact CD1-CD1 4.36Å; I248-I257 HydrophobicContact CG1-CD1 4.48Å; I248-I257 HydrophobicContact CG1-CG1 4.25Å; I248-I257 HydrophobicContact CG1-CG2 4.27Å; I248-I257 HydrophobicContact CG2-CG1 4.31Å; F255-I257 HydrophobicContact CD1-CD1 4.05Å; F255-I257 HydrophobicContact CD1-CG1 3.78Å; F255-I257 HydrophobicContact CE1-CD1 3.83Å; F255-I257 HydrophobicContact CE1-CG1 3.81Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.92Å; I257-F267 HydrophobicContact CB-CG 4.5Å; I257-F267 HydrophobicContact CD1-CD1 3.9Å; I257-F267 HydrophobicContact CD1-CE1 4.08Å; I257-F267 HydrophobicContact CG1-CD1 4.19Å; I257-F267 HydrophobicContact CG2-CD1 4.36Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.29Å; I257-F269 HydrophobicContact CD1-CE1 4.06Å
258K95.6Very high94.5Very high84 Ų8459.5 Ų59.537%0.36529%0.293SS..EExtended strand (participates in β ladder)trans-96.3121.4-179.3-53.5-153.1170.4-168.20109.4R246 N247 V256 D266R246-K258 WeakPolarHBondContact CB-O 3.49Å; R246-K258 PolarHBondContact N-O 3.47Å; N247-K258 HydrophobicContact CB-CB 4.27Å; N247-K258 HydrophobicContact CB-CG 4.46Å; N247-K258 PolarHBondContact N-O 2.92Å; N247-K258 PolarHBondContact O-N 3.05Å; V256-K258 HydrophobicContact CG1-CG 4.49Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.38Å; K258-D266 IonicContact NZ-OD2 3.82Å
259P94.8Very high94.7Very high8 Ų859.2 Ų59.25%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-70.7165.2177.729.2-34.4000112E244 R246 A264 P265 T569E244-P259 CarbonylContact O-C 3.42Å; E244-P259 VanDerWaalsContact O-CA 3.26Å; E244-P259 WeakPolarHBondContact O-CA 3.38Å; R246-P259 WeakPolarHBondContact CB-O 3.49Å; R246-P259 PolarHBondContact NE-O 3.12Å; R246-P259 PolarHBondContact NH2-O 2.89Å; P259-A264 HydrophobicContact CB-CB 4.3Å; P259-A264 HydrophobicContact CG-CB 3.68Å; P259-P265 WeakPolarHBondContact CD-O 3.4Å; P259-P265 WeakPolarHBondContact CG-O 3.39Å; P259-T569 HydrophobicContact CB-CG2 3.74Å; P259-T569 HydrophobicContact CG-CG2 4.47Å
260I91.5Very high95Very high44 Ų4461.1 Ų61.123%0.22629%0.292CS..SBendtrans-75.9-31.4174.3-70-170.8000111.7S243 E244 R246 K262 A499S243-I260 WeakPolarHBondContact O-CD1 2.94Å; E244-I260 PolarHBondContact O-N 3.41Å; R246-I260 HydrophobicContact CB-CG1 3.79Å; R246-I260 HydrophobicContact CG-CG1 4.28Å; R246-I260 PolarHBondContact NH1-O 3.1Å; R246-I260 PolarHBondContact NH2-O 2.83Å; I260-K262 PolarHBondContact O-N 3.43Å; I260-A499 HydrophobicContact CD1-CB 4.32Å
261D91.6Very high95.1Very high66 Ų6658.7 Ų58.735%0.35328%0.282SS..SBendtrans-62.2133.1162.3-179.519.8000109.6R246 K263 A264R246-D261 PolarHBondContact NH2-O 3.33Å; R246-D261 VanDerWaalsContact NH2-O 3.17Å; D261-K263 WeakPolarHBondContact OD1-CB 3.45Å; D261-K263 PolarHBondContact OD1-N 3.47Å; D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact OD2-N 3.39Å
262K90.8Very high95.1Very high182 Ų18256.1 Ų56.179%0.79127%0.272SS*.SBendtrans-87.7-8.7176-69.4-176.6178.7-178.50112.5R246 I260R246-K262 VanDerWaalsContact NH2-CG 3.32Å; I260-K262 PolarHBondContact O-N 3.43Å
263K92.4Very high95Very high188 Ų18859.4 Ų59.482%0.81728%0.279SS*.SBendtrans-94.1-26177.6-58176.4-179.2176.80112.7D261D261-K263 WeakPolarHBondContact OD1-CB 3.45Å; D261-K263 PolarHBondContact OD1-N 3.47Å
264A94.9Very high94.7Very high11 Ų1157.3 Ų57.39%0.09127%0.272CS..SBendtrans-69144171.500000111.7P259 D261 T569 K570P259-A264 HydrophobicContact CB-CB 4.3Å; P259-A264 HydrophobicContact CG-CB 3.68Å; D261-A264 HydrophobicContact CB-CB 4.1Å; D261-A264 PolarHBondContact OD2-N 3.39Å; A264-T569 HydrophobicContact CB-CG2 4.42Å; A264-K570 HydrophobicContact CB-CB 4.17Å
265P96.3Very high94.3Very high51 Ų5156.7 Ų56.733%0.33127%0.268SS..PPolyproline II helixtrans-69163.917630.2-35.5000111.9P259 F267 K570 I573P259-P265 WeakPolarHBondContact CD-O 3.4Å; P259-P265 WeakPolarHBondContact CG-O 3.39Å; P265-F267 PolarHBondContact O-N 2.98Å; P265-K570 HydrophobicContact CG-CG 4.39Å; P265-I573 HydrophobicContact CG-CB 4.21Å; P265-I573 HydrophobicContact CG-CD1 4.15Å; P265-I573 HydrophobicContact CG-CG2 3.89Å; P265-I573 VanDerWaalsContact O-CD1 3.23Å; P265-I573 WeakPolarHBondContact O-CD1 3.38Å
266D97.2Very high93.9Very high63 Ų6358.4 Ų58.434%0.33728%0.276SS..PPolyproline II helixtrans-62.8127.1167-78.1-2000109.6V256 K258 V268V256-D266 HydrophobicContact CG1-CB 4Å; V256-D266 WeakPolarHBondContact CG1-OD2 3.43Å; K258-D266 WeakPolarHBondContact CE-OD2 3.25Å; K258-D266 WeakPolarHBondContact CG-OD1 3.38Å; K258-D266 IonicContact NZ-OD2 3.82Å; D266-V268 HydrophobicContact CB-CG2 4.09Å
267F97.9Very high93.7Very high4 Ų457.6 Ų57.62%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-74.3123.6168.9171.7-133.3000108.7I227 F240 I257 P265 F269 I573 F576I227-F267 HydrophobicContact CD1-CZ 3.81Å; F240-F267 HydrophobicContact CD2-CD1 4.5Å; F240-F267 HydrophobicContact CD2-CE1 4.4Å; F240-F267 HydrophobicContact CE2-CD1 4.35Å; F240-F267 HydrophobicContact CE2-CD2 4.49Å; F240-F267 HydrophobicContact CE2-CE1 4.28Å; F240-F267 HydrophobicContact CE2-CE2 4.41Å; F240-F267 HydrophobicContact CE2-CG 4.49Å; F240-F267 HydrophobicContact CE2-CZ 4.33Å; I257-F267 HydrophobicContact CB-CB 4.18Å; I257-F267 HydrophobicContact CB-CD1 3.92Å; I257-F267 HydrophobicContact CB-CG 4.5Å; I257-F267 HydrophobicContact CD1-CD1 3.9Å; I257-F267 HydrophobicContact CD1-CE1 4.08Å; I257-F267 HydrophobicContact CG1-CD1 4.19Å; I257-F267 HydrophobicContact CG2-CD1 4.36Å; I257-F267 PolarHBondContact N-O 2.88Å; I257-F267 PolarHBondContact O-N 3.29Å; P265-F267 PolarHBondContact O-N 2.98Å; F267-F269 AromaticContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CE1 4.04Å; F267-F269 HydrophobicContact CE2-CD1 4.36Å; F267-F269 AromaticContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CE1 4.3Å; F267-I573 HydrophobicContact CB-CD1 3.79Å; F267-I573 HydrophobicContact CB-CG1 3.94Å; F267-I573 HydrophobicContact CD2-CG1 4.38Å; F267-I573 HydrophobicContact CG-CG1 4.45Å; F267-F576 HydrophobicContact CD2-CD1 4.08Å; F267-F576 HydrophobicContact CD2-CE1 4.27Å; F267-F576 HydrophobicContact CD2-CG 4.44Å; F267-F576 AromaticContact CE2-CD1 3.6Å; F267-F576 HydrophobicContact CE2-CD1 3.6Å; F267-F576 AromaticContact CE2-CD2 3.92Å; F267-F576 HydrophobicContact CE2-CD2 3.92Å; F267-F576 AromaticContact CE2-CE1 3.63Å; F267-F576 HydrophobicContact CE2-CE1 3.63Å; F267-F576 AromaticContact CE2-CE2 3.94Å; F267-F576 HydrophobicContact CE2-CE2 3.94Å; F267-F576 AromaticContact CE2-CG 3.74Å; F267-F576 HydrophobicContact CE2-CG 3.74Å; F267-F576 AromaticContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CZ-CD2 4.49Å; F267-F576 HydrophobicContact CZ-CE2 4.33Å; F267-F576 HydrophobicContact CZ-CZ 4.38Å
268V98Very high93.4Very high8 Ų862.9 Ų62.95%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-135.6125-168.41720000110.3K254 F255 V256 D266 Y270 F576K254-V268 HydrophobicContact CD-CG1 4.33Å; K254-V268 VanDerWaalsContact CE-CG1 3.42Å; K254-V268 HydrophobicContact CG-CG1 3.97Å; F255-V268 WeakPolarHBondContact O-CA 3.37Å; V256-V268 HydrophobicContact CG1-CG2 4.32Å; V256-V268 HydrophobicContact CG2-CG2 4.32Å; D266-V268 HydrophobicContact CB-CG2 4.09Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å; V268-F576 WeakPolarHBondContact O-CE1 3.34Å
269F98.4Very high93.2Very high0 Ų063.9 Ų63.90%030%0.296CS..EExtended strand (participates in β ladder)trans-136.8170.7173.264.9-98.4000111.2I208 K209 L218 F255 I257 F267 I280 F576I208-F269 HydrophobicContact CB-CB 4.46Å; I208-F269 HydrophobicContact CB-CD2 3.86Å; I208-F269 HydrophobicContact CB-CG 4.4Å; I208-F269 HydrophobicContact CD1-CB 3.88Å; I208-F269 HydrophobicContact CD1-CD1 4.47Å; I208-F269 HydrophobicContact CD1-CD2 4.19Å; I208-F269 HydrophobicContact CD1-CG 3.95Å; I208-F269 HydrophobicContact CG2-CD2 3.48Å; I208-F269 VanDerWaalsContact CG2-CD2 3.48Å; I208-F269 HydrophobicContact CG2-CE2 3.66Å; I208-F269 HydrophobicContact CG2-CG 4.35Å; K209-F269 CarbonylContact O-C 3.6Å; K209-F269 WeakPolarHBondContact O-CA 3.49Å; K209-F269 WeakPolarHBondContact O-CB 3.36Å; L218-F269 HydrophobicContact CD2-CE1 3.98Å; L218-F269 HydrophobicContact CD2-CE2 4.08Å; L218-F269 HydrophobicContact CD2-CZ 3.5Å; L218-F269 VanDerWaalsContact CD2-CZ 3.5Å; F255-F269 HydrophobicContact CB-CD1 4.24Å; F255-F269 HydrophobicContact CB-CD2 3.77Å; F255-F269 HydrophobicContact CB-CE1 3.93Å; F255-F269 HydrophobicContact CB-CE2 3.39Å; F255-F269 HydrophobicContact CB-CG 4.18Å; F255-F269 HydrophobicContact CB-CZ 3.48Å; F255-F269 VanDerWaalsContact CB-CZ 3.48Å; F255-F269 HydrophobicContact CD1-CD1 4.39Å; F255-F269 AromaticContact CD1-CE1 3.41Å; F255-F269 HydrophobicContact CD1-CE1 3.41Å; F255-F269 VanDerWaalsContact CD1-CE1 3.41Å; F255-F269 AromaticContact CD1-CE2 3.98Å; F255-F269 HydrophobicContact CD1-CE2 3.98Å; F255-F269 AromaticContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD1-CZ 3.14Å; F255-F269 HydrophobicContact CD2-CE2 4.26Å; F255-F269 HydrophobicContact CD2-CZ 4.1Å; F255-F269 HydrophobicContact CE1-CE1 4.15Å; F255-F269 AromaticContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CE1-CZ 3.79Å; F255-F269 HydrophobicContact CG-CD2 4.48Å; F255-F269 AromaticContact CG-CE1 3.93Å; F255-F269 HydrophobicContact CG-CE1 3.93Å; F255-F269 AromaticContact CG-CE2 3.65Å; F255-F269 HydrophobicContact CG-CE2 3.65Å; F255-F269 AromaticContact CG-CZ 3.32Å; F255-F269 HydrophobicContact CG-CZ 3.32Å; F255-F269 PolarHBondContact N-O 3.27Å; F255-F269 PolarHBondContact O-N 3.18Å; I257-F269 HydrophobicContact CD1-CE1 4.06Å; F267-F269 AromaticContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CD1 3.86Å; F267-F269 HydrophobicContact CE1-CE1 4.04Å; F267-F269 HydrophobicContact CE2-CD1 4.36Å; F267-F269 AromaticContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CD1 3.71Å; F267-F269 HydrophobicContact CZ-CE1 4.3Å; F269-I280 HydrophobicContact CE2-CD1 4.07Å; F269-I280 HydrophobicContact CZ-CD1 4.4Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; F269-F576 HydrophobicContact CB-CE1 4.44Å; F269-F576 HydrophobicContact CB-CZ 3.87Å
270Y98.1Very high93.3Very high87 Ų8763.5 Ų63.534%0.34129%0.293SS..EExtended strand (participates in β ladder)trans-123.6121.2-177-57.5-91.7000110.3I208 K209 K211 K253 K254 V268I208-Y270 CarbonylContact C-O 3.52Å; I208-Y270 WeakPolarHBondContact CA-O 3.46Å; K209-Y270 PolarHBondContact N-O 3.35Å; K209-Y270 PolarHBondContact O-N 3.35Å; K211-Y270 HydrophobicContact CG-CE2 4.18Å; K253-Y270 WeakPolarHBondContact O-CA 3.28Å; K254-Y270 HydrophobicContact CB-CD1 4.09Å; K254-Y270 HydrophobicContact CB-CE1 3.87Å; K254-Y270 HydrophobicContact CD-CE1 4.45Å; K254-Y270 HydrophobicContact CG-CD1 4.36Å; K254-Y270 HydrophobicContact CG-CE1 3.81Å; V268-Y270 HydrophobicContact CG1-CE2 4.21Å
271A96Very high93.4Very high2 Ų263.1 Ų63.12%0.01729%0.292CS..  trans-97.2145.917000000110.2K253 R273 I276 N277K253-A271 WeakPolarHBondContact CB-O 3.45Å; K253-A271 WeakPolarHBondContact CG-O 2.99Å; K253-A271 PolarHBondContact O-N 3.03Å; A271-R273 PolarHBondContact O-N 3.33Å; A271-R273 VanDerWaalsContact O-N 3.12Å; A271-I276 HydrophobicContact CB-CB 4.25Å; A271-I276 HydrophobicContact CB-CG2 3.94Å; A271-N277 WeakPolarHBondContact CB-OD1 3.28Å
272P91.1Very high93.4Very high77 Ų7762.3 Ų62.350%0.529%0.294SS..SBendtrans-70.3-13.7-170.524.8-33.2000114.8N207 I276N207-P272 WeakPolarHBondContact O-CD 3.33Å; P272-I276 HydrophobicContact CG-CD1 3.91Å
273R89.2Confident93.6Very high150 Ų15053.8 Ų53.857%0.56626%0.257SS*.SBendtrans-145.4134.3-176.5-56.6-178.8-178175.71.2111.7A271 R275 I276 N277A271-R273 PolarHBondContact O-N 3.33Å; A271-R273 VanDerWaalsContact O-N 3.12Å; R273-R275 PolarHBondContact O-N 2.87Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.25Å; R273-I276 HydrophobicContact CG-CD1 4.34Å; R273-I276 WeakPolarHBondContact O-CA 3.47Å; R273-I276 WeakPolarHBondContact O-CB 3.4Å; R273-I276 PolarHBondContact O-N 3.28Å; R273-N277 PolarHBondContact O-N 3.31Å
274L87.7Confident93.8Very high64 Ų6444.8 Ų44.834%0.33522%0.218SC..Hα-helixtrans-48.6-33173.7175.261.6000114.5F250 I276 N277 K278F250-L274 HydrophobicContact CD2-CD1 4.05Å; F250-L274 HydrophobicContact CE2-CD1 3.53Å; F250-L274 HydrophobicContact CZ-CD1 4.45Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.23Å; L274-N277 PolarHBondContact O-N 3.38Å; L274-K278 HydrophobicContact CG-CD 4.41Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 2.92Å
275R86.3Confident93.7Very high80 Ų8047.5 Ų47.530%0.30223%0.229SC..Hα-helixtrans-62.6-36.2174.9-170.8-167-168.9121.113.4112.5D51 F55 T57 R273 K278 R279D51-R275 IonicContact OD2-CZ 3.21Å; D51-R275 IonicContact OD2-NH1 3.76Å; D51-R275 PolarHBondContact OD2-NH1 3.37Å; D51-R275 IonicContact OD2-NH2 2.74Å; D51-R275 PolarHBondContact OD2-NH2 3.21Å; F55-R275 VanDerWaalsContact CB-CZ 3.47Å; F55-R275 VanDerWaalsContact CD2-NH1 3.28Å; T57-R275 PolarHBondContact OG1-NH2 3.27Å; R273-R275 PolarHBondContact O-N 2.87Å; R275-K278 PolarHBondContact O-N 3.03Å; R275-R279 PolarHBondContact O-N 3.44Å
276I90.8Very high93.6Very high36 Ų3645.4 Ų45.419%0.18522%0.217CC..Hα-helixtrans-69.3-46.8179.5-63.4167.7000108.8F206 A271 P272 R273 L274 K278 R279 I280F206-I276 HydrophobicContact CB-CG2 4.44Å; F206-I276 HydrophobicContact CD1-CG2 3.73Å; F206-I276 HydrophobicContact CE1-CG2 4.43Å; F206-I276 HydrophobicContact CG-CG2 4.38Å; A271-I276 HydrophobicContact CB-CB 4.25Å; A271-I276 HydrophobicContact CB-CG2 3.94Å; P272-I276 HydrophobicContact CG-CD1 3.91Å; R273-I276 HydrophobicContact CB-CD1 4.02Å; R273-I276 HydrophobicContact CB-CG1 4.25Å; R273-I276 HydrophobicContact CG-CD1 4.34Å; R273-I276 WeakPolarHBondContact O-CA 3.47Å; R273-I276 WeakPolarHBondContact O-CB 3.4Å; R273-I276 PolarHBondContact O-N 3.28Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.23Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.16Å; I276-R279 CarbonylContact O-C 3.59Å; I276-R279 WeakPolarHBondContact O-CA 3.41Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 2.99Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.17Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 2.85Å
277N93Very high93.6Very high0 Ų042.5 Ų42.50%020%0.201CC..Hα-helixtrans-56.4-40.1172.9-74.1-17000112.8F250 D252 K253 F255 A271 R273 L274 R279 I280 L281F250-N277 HydrophobicContact CB-CB 4.11Å; F250-N277 HydrophobicContact CD1-CB 3.9Å; F250-N277 HydrophobicContact CD2-CB 3.92Å; F250-N277 HydrophobicContact CE1-CB 4.33Å; F250-N277 HydrophobicContact CE2-CB 4.4Å; F250-N277 HydrophobicContact CG-CB 3.7Å; D252-N277 PolarHBondContact O-ND2 3.34Å; K253-N277 WeakPolarHBondContact CA-ND2 3.22Å; K253-N277 PolarHBondContact O-ND2 3.49Å; F255-N277 HydrophobicContact CD2-CB 4.02Å; F255-N277 WeakPolarHBondContact CD2-OD1 3.26Å; F255-N277 HydrophobicContact CE2-CB 4.34Å; A271-N277 WeakPolarHBondContact CB-OD1 3.28Å; R273-N277 PolarHBondContact O-N 3.31Å; L274-N277 PolarHBondContact O-N 3.38Å; N277-R279 VanDerWaalsContact C-N 3.31Å; N277-R279 PolarHBondContact O-N 3.32Å; N277-I280 PolarHBondContact O-N 3.26Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 PolarHBondContact O-N 2.92Å
278K90.9Very high93.4Very high115 Ų11542.8 Ų42.850%0.520%0.202SC..Hα-helixtrans-65-27.4172.3-74.6174179.7176.90114.2F250 L274 R275 I276 A282F250-K278 HydrophobicContact CE1-CG 4.16Å; F250-K278 HydrophobicContact CE2-CG 4.22Å; F250-K278 HydrophobicContact CZ-CB 4.5Å; F250-K278 HydrophobicContact CZ-CG 3.48Å; F250-K278 VanDerWaalsContact CZ-CG 3.48Å; L274-K278 HydrophobicContact CG-CD 4.41Å; L274-K278 WeakPolarHBondContact O-CG 3.24Å; L274-K278 PolarHBondContact O-N 2.92Å; R275-K278 PolarHBondContact O-N 3.03Å; I276-K278 VanDerWaalsContact C-N 3.28Å; I276-K278 PolarHBondContact O-N 3.16Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å
279R91.6Very high93.1Very high105 Ų10549.1 Ų49.140%0.39623%0.231SC..Hα-helixtrans-79-46.1172.4-78.1179.358.8-171.1-6111.7F206 R275 I276 N277 A282 L283F206-R279 HydrophobicContact CE1-CB 4.29Å; R275-R279 PolarHBondContact O-N 3.44Å; I276-R279 CarbonylContact O-C 3.59Å; I276-R279 WeakPolarHBondContact O-CA 3.41Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 2.99Å; N277-R279 VanDerWaalsContact C-N 3.31Å; N277-R279 PolarHBondContact O-N 3.32Å; R279-A282 PolarHBondContact O-N 2.74Å; R279-L283 PolarHBondContact O-N 3.28Å; R279-L283 VanDerWaalsContact O-N 3.08Å
280I95.8Very high92.9Very high0 Ų049.8 Ų49.80%024%0.235CC..Hα-helixtrans-57.7-54.6178.1-64.5169.9000109.3F206 L218 V220 F255 F269 I276 N277 A282 L283 C284F206-I280 HydrophobicContact CB-CD1 4.04Å; F206-I280 HydrophobicContact CB-CG1 4.36Å; F206-I280 HydrophobicContact CD1-CD1 4.37Å; F206-I280 HydrophobicContact CD1-CG1 3.98Å; F206-I280 HydrophobicContact CD2-CD1 4.27Å; F206-I280 HydrophobicContact CD2-CG1 3.71Å; F206-I280 HydrophobicContact CE1-CG1 4.18Å; F206-I280 HydrophobicContact CE2-CG1 3.92Å; F206-I280 HydrophobicContact CG-CD1 3.96Å; F206-I280 HydrophobicContact CG-CG1 3.73Å; F206-I280 HydrophobicContact CZ-CG1 4.16Å; L218-I280 HydrophobicContact CD2-CD1 4.17Å; L218-I280 HydrophobicContact CD2-CG2 3.91Å; V220-I280 HydrophobicContact CG2-CG2 4.39Å; F255-I280 HydrophobicContact CE1-CG2 3.97Å; F255-I280 HydrophobicContact CE2-CB 3.96Å; F255-I280 HydrophobicContact CE2-CG2 3.78Å; F255-I280 HydrophobicContact CZ-CB 4.1Å; F255-I280 HydrophobicContact CZ-CG2 3.44Å; F255-I280 VanDerWaalsContact CZ-CG2 3.44Å; F269-I280 HydrophobicContact CE2-CD1 4.07Å; F269-I280 HydrophobicContact CZ-CD1 4.4Å; F269-I280 HydrophobicContact CZ-CG2 4.37Å; I276-I280 HydrophobicContact CG2-CD1 3.74Å; I276-I280 HydrophobicContact CG2-CG1 4.17Å; I276-I280 WeakPolarHBondContact O-CG1 3.2Å; I276-I280 PolarHBondContact O-N 2.85Å; N277-I280 PolarHBondContact O-N 3.26Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 2.86Å; I280-L283 PolarHBondContact O-N 2.99Å; I280-C284 PolarHBondContact O-N 3.11Å; I280-C284 PolarHBondContact O-SG 2.89Å
281L94.6Very high92.8Very high37 Ų3745.7 Ų45.719%0.19422%0.219CC..Hα-helixtrans-54.4-44.9178.3-179.468.2000112.3I248 F250 F255 N277 L283 C284 M285I248-L281 HydrophobicContact CB-CD1 4.07Å; I248-L281 HydrophobicContact CG2-CD1 3.64Å; F250-L281 HydrophobicContact CD1-CB 4.07Å; F250-L281 HydrophobicContact CD1-CD2 4.05Å; F250-L281 HydrophobicContact CE1-CB 3.89Å; F250-L281 HydrophobicContact CE1-CD2 3.56Å; F250-L281 HydrophobicContact CE1-CG 4.35Å; F255-L281 HydrophobicContact CE2-CB 4.29Å; F255-L281 HydrophobicContact CZ-CB 4.31Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 PolarHBondContact O-N 2.92Å; L281-L283 PolarHBondContact O-N 2.79Å; L281-C284 PolarHBondContact O-N 3.46Å; L281-M285 HydrophobicContact CD1-CG 3.97Å; L281-M285 HydrophobicContact CD1-SD 3.95Å; L281-M285 HydrophobicContact CD2-SD 4.27Å; L281-M285 HydrophobicContact CG-CG 4.24Å; L281-M285 HydrophobicContact CG-SD 3.78Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.27Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 3.41Å
282A91.4Very high92.5Very high48 Ų4846 Ų4640%0.39722%0.22SC..Hα-helixtrans-75.3-3.1-179.500000114.9K83 K278 R279 I280K83-A282 PolarHBondContact NZ-O 2.92Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å; R279-A282 PolarHBondContact O-N 2.74Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 2.86Å
283L95.1Very high92.5Very high3 Ų346.2 Ų46.22%0.01621%0.211CC..Hα-helixtrans-100.5-47.5166.6-74.3165.1000110.4K83 F84 N204 F206 V220 R279 I280 L281 M285 G286 N287K83-L283 HydrophobicContact CG-CD2 4.13Å; F84-L283 HydrophobicContact CD1-CD2 4.44Å; F84-L283 HydrophobicContact CE1-CD2 4.12Å; N204-L283 HydrophobicContact CB-CD1 3.95Å; F206-L283 HydrophobicContact CE2-CD1 3.87Å; F206-L283 HydrophobicContact CZ-CD1 3.58Å; V220-L283 HydrophobicContact CG1-CB 4.07Å; R279-L283 PolarHBondContact O-N 3.28Å; R279-L283 VanDerWaalsContact O-N 3.08Å; I280-L283 PolarHBondContact O-N 2.99Å; L281-L283 PolarHBondContact O-N 2.79Å; L283-M285 VanDerWaalsContact C-N 3.33Å; L283-M285 PolarHBondContact O-N 2.82Å; L283-G286 PolarHBondContact O-N 2.82Å; L283-N287 WeakPolarHBondContact O-CB 3.31Å; L283-N287 PolarHBondContact O-N 3.23Å; L283-N287 PolarHBondContact O-ND2 2.93Å
284C96.8Very high92.6Very high0 Ų041.6 Ų41.60%019%0.194CC..Hα-helixtrans-59.4-42.5178.1-55.40000112.3W242 I248 I280 L281 H288W242-C284 HydrophobicContact CH2-CB 3.57Å; W242-C284 HydrophobicContact CZ3-CB 3.87Å; I248-C284 HydrophobicContact CD1-CB 3.47Å; I248-C284 VanDerWaalsContact CD1-CB 3.47Å; I280-C284 PolarHBondContact O-N 3.11Å; I280-C284 PolarHBondContact O-SG 2.89Å; L281-C284 PolarHBondContact O-N 3.46Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 3.17Å
285M92.9Very high92.7Very high68 Ų6839.5 Ų39.534%0.33518%0.181SC..Hα-helixtrans-58.2-49.4176-74.8175.865.300111.9L281 L283 E289 A494 F496L281-M285 HydrophobicContact CD1-CG 3.97Å; L281-M285 HydrophobicContact CD1-SD 3.95Å; L281-M285 HydrophobicContact CD2-SD 4.27Å; L281-M285 HydrophobicContact CG-CG 4.24Å; L281-M285 HydrophobicContact CG-SD 3.78Å; L281-M285 WeakPolarHBondContact O-CB 3.24Å; L281-M285 VanDerWaalsContact O-CG 3.27Å; L281-M285 WeakPolarHBondContact O-CG 3.26Å; L281-M285 PolarHBondContact O-N 3.41Å; L283-M285 VanDerWaalsContact C-N 3.33Å; L283-M285 PolarHBondContact O-N 2.82Å; M285-E289 VanDerWaalsContact O-CB 3.24Å; M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 3.13Å; M285-A494 HydrophobicContact CE-CB 4.1Å; M285-A494 HydrophobicContact CG-CB 3.9Å; M285-A494 HydrophobicContact SD-CB 4.06Å; M285-F496 HydrophobicContact CG-CE1 4.45Å
286G93.2Very high92.7Very high6 Ų640.1 Ų40.16%0.06219%0.186CC..Hα-helixtrans-78.3-33.7-175.100000114.4L283 E289 L290L283-G286 PolarHBondContact O-N 2.82Å; G286-E289 PolarHBondContact O-N 2.59Å; G286-L290 WeakPolarHBondContact O-CB 3.43Å; G286-L290 WeakPolarHBondContact O-CG 3.31Å; G286-L290 PolarHBondContact O-N 3.29Å
287N96.4Very high92.6Very high3 Ų344.2 Ų44.22%0.01622%0.215CC..Hα-helixtrans-64.8-43.2170.6-79.8-39000110.7F84 D221 W242 L283 L290 Y291F84-N287 WeakPolarHBondContact CD1-OD1 3.4Å; D221-N287 WeakPolarHBondContact O-CB 3.42Å; D221-N287 PolarHBondContact O-ND2 3.47Å; W242-N287 HydrophobicContact CZ2-CB 3.69Å; L283-N287 WeakPolarHBondContact O-CB 3.31Å; L283-N287 PolarHBondContact O-N 3.23Å; L283-N287 PolarHBondContact O-ND2 2.93Å; N287-L290 PolarHBondContact O-N 3.11Å; N287-Y291 VanDerWaalsContact O-CB 3.26Å; N287-Y291 WeakPolarHBondContact O-CB 3.48Å; N287-Y291 PolarHBondContact O-N 3.02Å
288H94.4Very high92.5Very high9 Ų947.4 Ų47.44%0.04223%0.232CC..Hα-helixtrans-64.4-41.6174.2-179.6-77.7000112.3W242 C284 L290 Y291 M292 F496W242-H288 HydrophobicContact CD2-CB 4.05Å; W242-H288 HydrophobicContact CE3-CB 3.83Å; W242-H288 HydrophobicContact CG-CB 4.45Å; W242-H288 HydrophobicContact CZ3-CB 4.4Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 3.17Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.19Å; H288-Y291 PolarHBondContact O-N 3.47Å; H288-M292 WeakPolarHBondContact CE1-CG 3.46Å; H288-M292 WeakPolarHBondContact O-CB 3.38Å; H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.44Å; H288-M292 PolarHBondContact O-N 3.44Å; H288-F496 HydrophobicContact CB-CD2 4.37Å; H288-F496 HydrophobicContact CB-CE1 4.02Å; H288-F496 HydrophobicContact CB-CE2 3.81Å; H288-F496 HydrophobicContact CB-CZ 3.61Å; H288-F496 AromaticContact CD2-CD2 3.33Å; H288-F496 WeakPolarHBondContact CD2-CD2 3.47Å; H288-F496 AromaticContact CD2-CE2 3.56Å; H288-F496 AromaticContact CD2-CG 3.79Å; H288-F496 WeakPolarHBondContact CE1-CB 3.43Å; H288-F496 AromaticContact CE1-CD1 3.7Å; H288-F496 AromaticContact CE1-CD2 3.7Å; H288-F496 AromaticContact CE1-CG 3.3Å; H288-F496 WeakPolarHBondContact CE1-CG 3.04Å; H288-F496 AromaticContact CG-CD1 3.88Å; H288-F496 AromaticContact CG-CD2 3.55Å; H288-F496 AromaticContact CG-CE1 3.81Å; H288-F496 AromaticContact CG-CE2 3.49Å; H288-F496 VanDerWaalsContact CG-CE2 3.49Å; H288-F496 AromaticContact CG-CG 3.75Å; H288-F496 AromaticContact CG-CZ 3.63Å; H288-F496 AromaticContact ND1-CD1 3.4Å; H288-F496 WeakPolarHBondContact ND1-CD1 3.36Å; H288-F496 AromaticContact ND1-CD2 3.76Å; H288-F496 AromaticContact ND1-CE1 3.69Å; H288-F496 AromaticContact ND1-CG 3.44Å; H288-F496 WeakPolarHBondContact ND1-CG 3.31Å; H288-F496 AromaticContact NE2-CD2 3.44Å; H288-F496 WeakPolarHBondContact NE2-CD2 3.43Å; H288-F496 AromaticContact NE2-CG 3.52Å
289E92.4Very high92.5Very high141 Ų14145.1 Ų45.166%0.65923%0.228SC*.Hα-helixtrans-59-43.8176-174.7177.7178.200111.7M285 G286 M292 R293M285-E289 VanDerWaalsContact O-CB 3.24Å; M285-E289 WeakPolarHBondContact O-CB 3.33Å; M285-E289 PolarHBondContact O-N 3.13Å; G286-E289 PolarHBondContact O-N 2.59Å; E289-M292 PolarHBondContact O-N 2.93Å; E289-R293 PolarHBondContact O-N 3.26Å
290L94.3Very high92.6Very high14 Ų1446 Ų467%0.07324%0.239CC..Hα-helixtrans-68.8-42.9174.6-70.4172.3000112.8W43 F84 G286 N287 H288 M292 R293 R294W43-L290 HydrophobicContact CB-CD2 4.12Å; W43-L290 HydrophobicContact CG-CD2 4.08Å; F84-L290 HydrophobicContact CB-CD1 3.67Å; F84-L290 HydrophobicContact CD2-CD1 4.3Å; F84-L290 HydrophobicContact CG-CD1 4.01Å; G286-L290 WeakPolarHBondContact O-CB 3.43Å; G286-L290 WeakPolarHBondContact O-CG 3.31Å; G286-L290 PolarHBondContact O-N 3.29Å; N287-L290 PolarHBondContact O-N 3.11Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 PolarHBondContact O-N 3.19Å; L290-M292 VanDerWaalsContact C-N 3.25Å; L290-M292 PolarHBondContact O-N 3.31Å; L290-R293 WeakPolarHBondContact O-CA 3.28Å; L290-R293 WeakPolarHBondContact O-CB 3.26Å; L290-R293 PolarHBondContact O-N 2.92Å; L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.2Å
291Y94.3Very high92.4Very high1 Ų150.3 Ų50.30%0.00426%0.259CS..Hα-helixtrans-56-39.8173.9177.9-85.8000112E87 W242 S243 N287 H288 R295 E507E87-Y291 WeakPolarHBondContact OE1-CA 3.25Å; E87-Y291 VanDerWaalsContact OE1-CD2 3.31Å; E87-Y291 WeakPolarHBondContact OE1-CD2 3.29Å; W242-Y291 HydrophobicContact CB-CD1 3.43Å; W242-Y291 VanDerWaalsContact CB-CD1 3.43Å; W242-Y291 HydrophobicContact CB-CD2 3.8Å; W242-Y291 HydrophobicContact CB-CE1 3.66Å; W242-Y291 HydrophobicContact CB-CE2 4.01Å; W242-Y291 HydrophobicContact CB-CG 3.51Å; W242-Y291 AromaticContact CD1-CD2 3.63Å; W242-Y291 AromaticContact CD1-CG 3.76Å; W242-Y291 HydrophobicContact CG-CD1 4.34Å; W242-Y291 HydrophobicContact CG-CD2 4.12Å; W242-Y291 AromaticContact CG-CG 3.96Å; W242-Y291 HydrophobicContact CG-CG 3.96Å; S243-Y291 WeakPolarHBondContact CB-OH 3.43Å; S243-Y291 PolarHBondContact OG-OH 2.78Å; N287-Y291 VanDerWaalsContact O-CB 3.26Å; N287-Y291 WeakPolarHBondContact O-CB 3.48Å; N287-Y291 PolarHBondContact O-N 3.02Å; H288-Y291 PolarHBondContact O-N 3.47Å; Y291-R295 VanDerWaalsContact CE2-NH1 3.31Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 2.93Å; Y291-E507 WeakPolarHBondContact CE2-OE1 3.45Å; Y291-E507 PolarHBondContact OH-OE1 2.78Å
292M90.3Very high92.4Very high9 Ų948.8 Ų48.84%0.04425%0.251CS..Hα-helixtrans-82-11.9174.7-66-62.3-7300114.2H288 E289 L290 K296 T497 A499 Y502H288-M292 WeakPolarHBondContact CE1-CG 3.46Å; H288-M292 WeakPolarHBondContact O-CB 3.38Å; H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.44Å; H288-M292 PolarHBondContact O-N 3.44Å; E289-M292 PolarHBondContact O-N 2.93Å; L290-M292 VanDerWaalsContact C-N 3.25Å; L290-M292 PolarHBondContact O-N 3.31Å; M292-K296 VanDerWaalsContact O-CD 3.25Å; M292-K296 WeakPolarHBondContact O-CD 3.48Å; M292-K296 WeakPolarHBondContact O-CE 3.5Å; M292-K296 WeakPolarHBondContact O-CG 3.38Å; M292-T497 WeakPolarHBondContact CE-O 3Å; M292-A499 HydrophobicContact CE-CB 4.45Å; M292-Y502 HydrophobicContact CE-CD2 3.69Å; M292-Y502 HydrophobicContact CE-CE2 3.51Å
293R90.5Very high92.4Very high82 Ų8251.7 Ų51.731%0.30926%0.257SS..Hα-helixtrans-79.3-44.1168.8-171.2-179.8-174.8-177.83.8110.6W43 E289 L290 R295 K296 T299 V302W43-R293 VanDerWaalsContact CD2-NH1 3.31Å; E289-R293 PolarHBondContact O-N 3.26Å; L290-R293 WeakPolarHBondContact O-CA 3.28Å; L290-R293 WeakPolarHBondContact O-CB 3.26Å; L290-R293 PolarHBondContact O-N 2.92Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 3.46Å; R293-K296 PolarHBondContact O-N 3.06Å; R293-T299 PolarHBondContact NH2-OG1 3Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å
294R91.4Very high92.4Very high52 Ų5256.3 Ų56.320%0.19628%0.278CS..Hα-helixtrans-60.2-36.8178.9-67.6155.8-176.5141.41113.1F85 E87 E92 L290 K296F85-R294 PolarHBondContact O-NH2 2.6Å; E87-R294 VanDerWaalsContact CD-CD 3.49Å; E87-R294 WeakPolarHBondContact OE1-CD 3.46Å; E87-R294 IonicContact OE1-CZ 3.72Å; E87-R294 IonicContact OE1-NE 3.35Å; E87-R294 PolarHBondContact OE1-NE 2.97Å; E87-R294 IonicContact OE1-NH1 3.18Å; E87-R294 PolarHBondContact OE1-NH1 3.37Å; E92-R294 IonicContact OE1-CZ 2.64Å; E92-R294 IonicContact OE1-NE 3.56Å; E92-R294 PolarHBondContact OE1-NE 2.93Å; E92-R294 IonicContact OE1-NH2 3.23Å; E92-R294 IonicContact OE2-CZ 2.76Å; E92-R294 IonicContact OE2-NE 2.64Å; E92-R294 PolarHBondContact OE2-NE 3.22Å; E92-R294 IonicContact OE2-NH2 2.73Å; E92-R294 PolarHBondContact OE2-NH2 3.12Å; L290-R294 WeakPolarHBondContact O-CG 3.45Å; L290-R294 PolarHBondContact O-N 3.2Å; R294-K296 PolarHBondContact O-N 2.77Å; R294-K296 VanDerWaalsContact O-N 3.12Å
295R89.9Confident92.3Very high20 Ų2056.6 Ų56.68%0.07528%0.28CS..THydrogen-bonded Turntrans-83.526.4179.4-68.8163.2-174.570.710.3113.2E87 Y291 R293 D504 E507E87-R295 IonicContact OE1-NH1 3.57Å; E87-R295 PolarHBondContact OE1-NH1 3.42Å; E87-R295 IonicContact OE2-CZ 2.73Å; E87-R295 IonicContact OE2-NH1 3.56Å; E87-R295 PolarHBondContact OE2-NH1 3.02Å; E87-R295 VanDerWaalsContact OE2-NH1 3.11Å; E87-R295 IonicContact OE2-NH2 3.54Å; E87-R295 PolarHBondContact OE2-NH2 3.05Å; Y291-R295 VanDerWaalsContact CE2-NH1 3.31Å; Y291-R295 VanDerWaalsContact CZ-CZ 3.45Å; Y291-R295 PolarHBondContact O-NH1 2.93Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 3.46Å; R295-D504 HydrophobicContact CG-CB 4.2Å; R295-E507 IonicContact CZ-OE2 3.9Å; R295-E507 IonicContact NE-OE1 2.81Å; R295-E507 IonicContact NE-OE2 3.97Å; R295-E507 IonicContact NH2-OE1 2.76Å; R295-E507 IonicContact NH2-OE2 3.52Å; R295-E507 PolarHBondContact NH2-OE2 3.49Å
296K87.8Confident92.4Very high94 Ų9456.7 Ų56.741%0.40928%0.278SS..SBendtrans-135.9154.1173.2-64.2172.4-174169.70108.1M292 R293 R294 Y502M292-K296 VanDerWaalsContact O-CD 3.25Å; M292-K296 WeakPolarHBondContact O-CD 3.48Å; M292-K296 WeakPolarHBondContact O-CE 3.5Å; M292-K296 WeakPolarHBondContact O-CG 3.38Å; R293-K296 PolarHBondContact O-N 3.06Å; R294-K296 PolarHBondContact O-N 2.77Å; R294-K296 VanDerWaalsContact O-N 3.12Å; K296-Y502 HydrophobicContact CG-CE1 4.49Å
297P88.2Confident92.5Very high121 Ų12158.5 Ų58.579%0.78629%0.293SS*.PPolyproline II helixtrans-55.4145.4172.3-24.334.5000112T299P297-T299 PolarHBondContact O-N 2.99Å
298D90.1Very high92.3Very high67 Ų6762.4 Ų62.436%0.35831%0.311SS..PPolyproline II helixtrans-54.8131.4177-84.5-33.8000111V302 Q303 K306D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.98Å; D298-V302 VanDerWaalsContact OD1-CG1 3.28Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.49Å; D298-Q303 HydrophobicContact CB-CG 3.69Å; D298-Q303 PolarHBondContact O-NE2 2.91Å; D298-K306 IonicContact OD1-NZ 2.79Å; D298-K306 WeakPolarHBondContact OD2-CD 3.27Å; D298-K306 WeakPolarHBondContact OD2-CE 3.31Å; D298-K306 IonicContact OD2-NZ 3.26Å; D298-K306 PolarHBondContact OD2-NZ 3.41Å
299T91.9Very high92.2Very high67 Ų6763 Ų6341%0.41132%0.318SS..PPolyproline II helixtrans-59.8148170.443.30000110.9R293 P297 E301 V302 Q303R293-T299 PolarHBondContact NH2-OG1 3Å; P297-T299 PolarHBondContact O-N 2.99Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 VanDerWaalsContact O-N 3.09Å; T299-V302 WeakPolarHBondContact O-CA 3.49Å; T299-V302 WeakPolarHBondContact O-CB 3.04Å; T299-V302 PolarHBondContact O-N 3.19Å; T299-V302 VanDerWaalsContact OG1-CG2 3.32Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.47Å; T299-Q303 PolarHBondContact O-N 3.41Å
300I93.3Very high92.1Very high124 Ų12465 Ų6564%0.63632%0.319SS*.Hα-helixtrans-47.9-44.4-177.4-61.2173.6000112.2V302 Q303 Q304I300-V302 VanDerWaalsContact C-N 3.31Å; I300-V302 PolarHBondContact O-N 3.1Å; I300-Q303 PolarHBondContact O-N 2.96Å; I300-Q303 VanDerWaalsContact O-N 3.17Å; I300-Q304 HydrophobicContact CG2-CG 4.37Å; I300-Q304 WeakPolarHBondContact O-CG 3.43Å; I300-Q304 PolarHBondContact O-N 3.23Å
301E91.6Very high92Very high90 Ų9070.6 Ų70.642%0.42135%0.345SS..Hα-helixtrans-57.3-41.3176.4-166.7-168.8-175.800112.9R40 T299 Q304 M305R40-E301 IonicContact CZ-OE1 3.8Å; R40-E301 IonicContact NE-OE1 3.88Å; R40-E301 IonicContact NH2-OE1 2.81Å; R40-E301 PolarHBondContact NH2-OE1 2.89Å; T299-E301 PolarHBondContact O-N 3.41Å; T299-E301 VanDerWaalsContact O-N 3.09Å; E301-Q304 PolarHBondContact O-N 2.84Å; E301-M305 HydrophobicContact CG-SD 4.16Å; E301-M305 WeakPolarHBondContact O-CB 3.33Å; E301-M305 VanDerWaalsContact O-CG 3.22Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.7Å
302V93.4Very high91.9Very high5 Ų574.8 Ų74.83%0.0336%0.364CS..Hα-helixtrans-71.8-36.8178.8172.80000111W43 I94 R293 D298 T299 I300 M305 K306W43-V302 HydrophobicContact CH2-CG2 3.9Å; W43-V302 HydrophobicContact CZ2-CG2 4.45Å; I94-V302 HydrophobicContact CD1-CG1 3.84Å; R293-V302 VanDerWaalsContact NH2-CG2 3.3Å; D298-V302 HydrophobicContact CB-CB 4.25Å; D298-V302 HydrophobicContact CB-CG1 3.98Å; D298-V302 VanDerWaalsContact OD1-CG1 3.28Å; D298-V302 WeakPolarHBondContact OD1-CG1 3.49Å; T299-V302 WeakPolarHBondContact O-CA 3.49Å; T299-V302 WeakPolarHBondContact O-CB 3.04Å; T299-V302 PolarHBondContact O-N 3.19Å; T299-V302 VanDerWaalsContact OG1-CG2 3.32Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.47Å; I300-V302 VanDerWaalsContact C-N 3.31Å; I300-V302 PolarHBondContact O-N 3.1Å; V302-M305 PolarHBondContact O-N 2.77Å; V302-K306 HydrophobicContact CG1-CD 4.3Å; V302-K306 WeakPolarHBondContact O-CB 3.37Å; V302-K306 WeakPolarHBondContact O-CG 3.18Å; V302-K306 PolarHBondContact O-N 2.73Å
303Q93.3Very high91.8Very high109 Ų10978.4 Ų78.451%0.50938%0.38SS..Hα-helixtrans-63.1-45.1173-60.5-173.520.900111D298 T299 I300 K306 A307D298-Q303 HydrophobicContact CB-CG 3.69Å; D298-Q303 PolarHBondContact O-NE2 2.91Å; T299-Q303 PolarHBondContact O-N 3.41Å; I300-Q303 PolarHBondContact O-N 2.96Å; I300-Q303 VanDerWaalsContact O-N 3.17Å; Q303-K306 PolarHBondContact O-N 3.26Å; Q303-A307 WeakPolarHBondContact O-CB 3.27Å; Q303-A307 PolarHBondContact O-N 2.79Å
304Q94.9Very high91.8Very high101 Ų10179 Ų7947%0.47239%0.389SS..Hα-helixtrans-60.7-43.2173.6-72.3172.7-20.200111.9I300 E301 A307 Q308I300-Q304 HydrophobicContact CG2-CG 4.37Å; I300-Q304 WeakPolarHBondContact O-CG 3.43Å; I300-Q304 PolarHBondContact O-N 3.23Å; E301-Q304 PolarHBondContact O-N 2.84Å; Q304-A307 PolarHBondContact O-N 3.43Å; Q304-Q308 VanDerWaalsContact O-CB 3.3Å; Q304-Q308 WeakPolarHBondContact O-CB 3.16Å; Q304-Q308 PolarHBondContact O-N 3.12Å
305M94.1Very high91.8Very high5 Ų582.6 Ų82.63%0.02541%0.408CS..Hα-helixtrans-62.9-42.1175.4-74.4168.556.100112.3R40 E41 W43 I94 E301 V302 A309R40-M305 HydrophobicContact CB-CE 3.64Å; R40-M305 HydrophobicContact CB-SD 3.81Å; E41-M305 HydrophobicContact CG-CE 3.4Å; E41-M305 VanDerWaalsContact CG-CE 3.4Å; W43-M305 HydrophobicContact CH2-CE 4.01Å; W43-M305 HydrophobicContact CH2-SD 4.43Å; I94-M305 HydrophobicContact CD1-CB 4.42Å; I94-M305 HydrophobicContact CD1-CE 4.2Å; I94-M305 HydrophobicContact CG2-CB 4.05Å; I94-M305 WeakPolarHBondContact CG2-O 3.17Å; E301-M305 HydrophobicContact CG-SD 4.16Å; E301-M305 WeakPolarHBondContact O-CB 3.33Å; E301-M305 VanDerWaalsContact O-CG 3.22Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.7Å; V302-M305 PolarHBondContact O-N 2.77Å; M305-A309 VanDerWaalsContact O-CB 3.27Å; M305-A309 WeakPolarHBondContact O-CB 3.47Å; M305-A309 PolarHBondContact O-N 2.86Å
306K94.5Very high91.8Very high71 Ų7185.1 Ų85.131%0.30942%0.419SS..Hα-helixtrans-67.1-37.3176.1-76.4-179.2175.3179.20112.1E91 I94 D298 V302 Q303 R310E91-K306 PolarHBondContact O-NZ 3.45Å; I94-K306 HydrophobicContact CD1-CG 3.93Å; I94-K306 HydrophobicContact CG1-CG 3.92Å; I94-K306 HydrophobicContact CG2-CG 4.05Å; D298-K306 IonicContact OD1-NZ 2.79Å; D298-K306 WeakPolarHBondContact OD2-CD 3.27Å; D298-K306 WeakPolarHBondContact OD2-CE 3.31Å; D298-K306 IonicContact OD2-NZ 3.26Å; D298-K306 PolarHBondContact OD2-NZ 3.41Å; V302-K306 HydrophobicContact CG1-CD 4.3Å; V302-K306 WeakPolarHBondContact O-CB 3.37Å; V302-K306 WeakPolarHBondContact O-CG 3.18Å; V302-K306 PolarHBondContact O-N 2.73Å; Q303-K306 PolarHBondContact O-N 3.26Å; K306-R310 VanDerWaalsContact O-CB 3.27Å; K306-R310 WeakPolarHBondContact O-CB 3.22Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 VanDerWaalsContact O-N 3.09Å
307A94.6Very high91.9Very high44 Ų4484.9 Ų84.936%0.36442%0.418SS..Hα-helixtrans-64.3-54.4173.300000111.2Q303 Q304 A309 R310 E311Q303-A307 WeakPolarHBondContact O-CB 3.27Å; Q303-A307 PolarHBondContact O-N 2.79Å; Q304-A307 PolarHBondContact O-N 3.43Å; A307-A309 PolarHBondContact O-N 3.42Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 3.26Å; A307-R310 VanDerWaalsContact O-N 3.07Å; A307-E311 WeakPolarHBondContact O-CG 3.42Å; A307-E311 PolarHBondContact O-N 3.29Å
308Q93.5Very high92Very high84 Ų8485.4 Ų85.439%0.39341%0.412SS..Hα-helixtrans-54.7-49.6177.6-176.8-172.9-12.200111.7Q304 R310 E311 E312Q304-Q308 VanDerWaalsContact O-CB 3.3Å; Q304-Q308 WeakPolarHBondContact O-CB 3.16Å; Q304-Q308 PolarHBondContact O-N 3.12Å; Q308-R310 VanDerWaalsContact C-N 3.28Å; Q308-R310 PolarHBondContact O-N 2.85Å; Q308-E311 PolarHBondContact O-N 2.79Å; Q308-E312 HydrophobicContact CG-CG 4.5Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CB 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 3.27Å
309A91.2Very high92Very high23 Ų2387 Ų8719%0.1942%0.417CS..Hα-helixtrans-64.1-32.5179.200000112.8I94 M305 A307 K313I94-A309 HydrophobicContact CG2-CB 3.75Å; I94-A309 WeakPolarHBondContact O-CB 3.33Å; M305-A309 VanDerWaalsContact O-CB 3.27Å; M305-A309 WeakPolarHBondContact O-CB 3.47Å; M305-A309 PolarHBondContact O-N 2.86Å; A307-A309 PolarHBondContact O-N 3.42Å; A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 2.8Å
310R91.4Very high91.8Very high182 Ų18286.7 Ų86.769%0.68741%0.409SS*.Hα-helixtrans-70.5-39174.1-173.2-179.8-175.1-168.71.4111.8K306 A307 Q308 N314K306-R310 VanDerWaalsContact O-CB 3.27Å; K306-R310 WeakPolarHBondContact O-CB 3.22Å; K306-R310 PolarHBondContact O-N 2.83Å; K306-R310 VanDerWaalsContact O-N 3.09Å; A307-R310 WeakPolarHBondContact O-CB 3.45Å; A307-R310 PolarHBondContact O-N 3.26Å; A307-R310 VanDerWaalsContact O-N 3.07Å; Q308-R310 VanDerWaalsContact C-N 3.28Å; Q308-R310 PolarHBondContact O-N 2.85Å; R310-N314 VanDerWaalsContact O-CB 3.31Å; R310-N314 WeakPolarHBondContact O-CB 3.3Å; R310-N314 PolarHBondContact O-N 3.46Å; R310-N314 PolarHBondContact O-ND2 3.14Å; R310-N314 PolarHBondContact O-OD1 3.19Å
311E92.7Very high91.6Very high131 Ų13183.5 Ų83.561%0.61240%0.401SS*.Hα-helixtrans-67.2-48.1175.7-73.1168.7-177.500111.4A307 Q308 K313 N314 H315A307-E311 WeakPolarHBondContact O-CG 3.42Å; A307-E311 PolarHBondContact O-N 3.29Å; Q308-E311 PolarHBondContact O-N 2.79Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.27Å; E311-N314 PolarHBondContact O-N 3.01Å; E311-H315 WeakPolarHBondContact O-CB 3.41Å; E311-H315 PolarHBondContact O-N 3.49Å
312E90.6Very high91.6Very high89 Ų8984.3 Ų84.342%0.41641%0.407SS..Hα-helixtrans-57.6-44.1173.3-72.4177-163.900111.6Q308 H315 K316Q308-E312 HydrophobicContact CG-CG 4.5Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 3.11Å; Q308-E312 WeakPolarHBondContact O-CB 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.45Å; Q308-E312 PolarHBondContact O-N 3.27Å; E312-H315 PolarHBondContact O-N 3.38Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.1Å
313K88.6Confident91.4Very high85 Ų8588.3 Ų88.337%0.3743%0.428SS..Hα-helixtrans-66.1-38.7176.4-176.2166-179.5168.20112.5E186 A309 E311 K317E186-K313 WeakPolarHBondContact OE1-CE 3.4Å; E186-K313 IonicContact OE1-NZ 2.73Å; E186-K313 PolarHBondContact OE1-NZ 3.3Å; A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 2.8Å; E311-K313 VanDerWaalsContact C-N 3.34Å; E311-K313 PolarHBondContact O-N 3.27Å; K313-K317 WeakPolarHBondContact O-CG 3.37Å; K313-K317 PolarHBondContact O-N 3.28Å; K313-K317 VanDerWaalsContact O-N 3.1Å
314N90.9Very high91.1Very high94 Ų9486.9 Ų86.950%0.50342%0.421SS..Hα-helixtrans-66.4-43175.1-75-14.3000111.5R310 E311 K317 M318R310-N314 VanDerWaalsContact O-CB 3.31Å; R310-N314 WeakPolarHBondContact O-CB 3.3Å; R310-N314 PolarHBondContact O-N 3.46Å; R310-N314 PolarHBondContact O-ND2 3.14Å; R310-N314 PolarHBondContact O-OD1 3.19Å; E311-N314 PolarHBondContact O-N 3.01Å; N314-K317 PolarHBondContact O-N 3.5Å; N314-M318 PolarHBondContact O-N 3.03Å
315H91.9Very high90.9Very high128 Ų12885.3 Ų85.359%0.59342%0.416SS*.Hα-helixtrans-58.7-51.2175.7-172.4-72.3000111E311 E312 K317 M318 E319E311-H315 WeakPolarHBondContact O-CB 3.41Å; E311-H315 PolarHBondContact O-N 3.49Å; E312-H315 PolarHBondContact O-N 3.38Å; H315-K317 VanDerWaalsContact C-N 3.28Å; H315-K317 PolarHBondContact O-N 3.01Å; H315-M318 PolarHBondContact O-N 3.21Å; H315-M318 VanDerWaalsContact O-N 3.1Å; H315-E319 IonicContact CE1-OE2 2.84Å; H315-E319 IonicContact ND1-OE2 2.71Å; H315-E319 WeakPolarHBondContact O-CB 3.24Å; H315-E319 PolarHBondContact O-N 2.91Å
316K89.4Confident90.7Very high73 Ų7389 Ų8932%0.31743%0.434SS..Hα-helixtrans-55.4-40.2175.6-72175.4-176.6-169.90112.6D96 E312 R320D96-K316 IonicContact OD2-NZ 2.73Å; D96-K316 PolarHBondContact OD2-NZ 3.34Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.1Å; K316-R320 VanDerWaalsContact O-CB 3.31Å; K316-R320 WeakPolarHBondContact O-CB 3.4Å; K316-R320 PolarHBondContact O-N 3.37Å
317K88.9Confident90.4Very high89 Ų8992.8 Ų92.839%0.38745%0.45SS..Hα-helixtrans-69.9-38.3176.6-73.1-164.7-176.2-141.40112.8M183 E186 K313 N314 H315 A321M183-K317 HydrophobicContact CE-CD 4.43Å; M183-K317 HydrophobicContact CE-CG 3.98Å; M183-K317 HydrophobicContact SD-CG 4.06Å; E186-K317 VanDerWaalsContact CD-NZ 3.28Å; E186-K317 VanDerWaalsContact OE1-CE 3.26Å; E186-K317 WeakPolarHBondContact OE1-CE 3.43Å; E186-K317 IonicContact OE1-NZ 3.76Å; E186-K317 PolarHBondContact OE1-NZ 2.86Å; E186-K317 IonicContact OE2-NZ 3.07Å; E186-K317 PolarHBondContact OE2-NZ 2.92Å; K313-K317 WeakPolarHBondContact O-CG 3.37Å; K313-K317 PolarHBondContact O-N 3.28Å; K313-K317 VanDerWaalsContact O-N 3.1Å; N314-K317 PolarHBondContact O-N 3.5Å; H315-K317 VanDerWaalsContact C-N 3.28Å; H315-K317 PolarHBondContact O-N 3.01Å; K317-A321 WeakPolarHBondContact O-CB 3.42Å; K317-A321 PolarHBondContact O-N 3.18Å
318M91Very high90.2Very high132 Ų13298.1 Ų98.165%0.6546%0.461SS*.Hα-helixtrans-67.3-45175.6-174.7169.517700111.6N314 H315 A321 L322N314-M318 PolarHBondContact O-N 3.03Å; H315-M318 PolarHBondContact O-N 3.21Å; H315-M318 VanDerWaalsContact O-N 3.1Å; M318-A321 PolarHBondContact O-N 2.65Å; M318-L322 HydrophobicContact CG-CD1 4.39Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.08Å
319E90.6Very high90.1Very high100 Ų100100.7 Ų100.747%0.46747%0.47SS..Hα-helixtrans-59.3-47.7174.6-173.8-179.3171.400111.5H315 A321 L322 L323H315-E319 IonicContact CE1-OE2 2.84Å; H315-E319 IonicContact ND1-OE2 2.71Å; H315-E319 WeakPolarHBondContact O-CB 3.24Å; H315-E319 PolarHBondContact O-N 2.91Å; E319-A321 PolarHBondContact O-N 3.12Å; E319-L322 PolarHBondContact O-N 3.05Å; E319-L323 HydrophobicContact CG-CD1 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.05Å
320R86.8Confident89.9Confident62 Ų62107.2 Ų107.223%0.23449%0.49CS..Hα-helixtrans-58.7-44.6173.5-178.2176.2174.5151.212.5112D136 G181 K316 L322 L323 E324D136-R320 IonicContact OD2-NH2 2.72Å; D136-R320 PolarHBondContact OD2-NH2 3.49Å; G181-R320 PolarHBondContact O-NH1 2.89Å; K316-R320 VanDerWaalsContact O-CB 3.31Å; K316-R320 WeakPolarHBondContact O-CB 3.4Å; K316-R320 PolarHBondContact O-N 3.37Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; R320-L323 PolarHBondContact O-N 2.97Å; R320-E324 HydrophobicContact CG-CG 4.4Å; R320-E324 IonicContact CZ-OE1 3.43Å; R320-E324 VanDerWaalsContact CZ-OE1 3.23Å; R320-E324 IonicContact NE-OE1 2.8Å; R320-E324 PolarHBondContact NE-OE1 3.23Å; R320-E324 IonicContact NH2-OE1 2.68Å; R320-E324 PolarHBondContact NH2-OE1 2.84Å; R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 WeakPolarHBondContact O-CG 3.42Å; R320-E324 PolarHBondContact O-N 3.3Å
321A89.7Confident89.9Confident57 Ų57103 Ų10347%0.47148%0.478SS..Hα-helixtrans-65-35.3179.200000112.7K317 M318 E319 N325K317-A321 WeakPolarHBondContact O-CB 3.42Å; K317-A321 PolarHBondContact O-N 3.18Å; M318-A321 PolarHBondContact O-N 2.65Å; E319-A321 PolarHBondContact O-N 3.12Å; A321-N325 VanDerWaalsContact O-CB 3.27Å; A321-N325 WeakPolarHBondContact O-CB 3.35Å; A321-N325 PolarHBondContact O-N 3.36Å
322L92Very high89.8Confident106 Ų106100.1 Ų100.156%0.55547%0.47SS*.Hα-helixtrans-65.6-46.6172.2-71.3168.6000111.2M318 E319 R320 E324 N325 E326M318-L322 HydrophobicContact CG-CD1 4.39Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.08Å; E319-L322 PolarHBondContact O-N 3.05Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; L322-E324 PolarHBondContact O-N 2.88Å; L322-N325 PolarHBondContact O-N 2.67Å; L322-E326 PolarHBondContact O-N 2.83Å
323L88.5Confident89.8Confident89 Ų8998.4 Ų98.447%0.46647%0.47SS..Hα-helixtrans-63.2-38.6177.3-70.6168.4000112.8E319 R320 E326 K327E319-L323 HydrophobicContact CG-CD1 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.05Å; R320-L323 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 3.04Å; L323-K327 WeakPolarHBondContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CG 3.21Å; L323-K327 PolarHBondContact O-N 3.45Å
324E87.7Confident89.9Confident79 Ų79100.5 Ų100.537%0.36948%0.481SS..Hα-helixtrans-70.6-36.5175.6-74.4-179.4178.800112.4R320 L322 R328R320-E324 HydrophobicContact CG-CG 4.4Å; R320-E324 IonicContact CZ-OE1 3.43Å; R320-E324 VanDerWaalsContact CZ-OE1 3.23Å; R320-E324 IonicContact NE-OE1 2.8Å; R320-E324 PolarHBondContact NE-OE1 3.23Å; R320-E324 IonicContact NH2-OE1 2.68Å; R320-E324 PolarHBondContact NH2-OE1 2.84Å; R320-E324 WeakPolarHBondContact O-CB 3.5Å; R320-E324 WeakPolarHBondContact O-CG 3.42Å; R320-E324 PolarHBondContact O-N 3.3Å; L322-E324 PolarHBondContact O-N 2.88Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.87Å
325N89.9Confident89.9Confident69 Ų69101.7 Ų101.737%0.36948%0.482SS..Hα-helixtrans-65.2-41.3171.5-1718.8000111.2A321 L322 R328 K329A321-N325 VanDerWaalsContact O-CB 3.27Å; A321-N325 WeakPolarHBondContact O-CB 3.35Å; A321-N325 PolarHBondContact O-N 3.36Å; L322-N325 PolarHBondContact O-N 2.67Å; N325-R328 PolarHBondContact O-N 2.9Å; N325-K329 WeakPolarHBondContact O-CG 3.5Å; N325-K329 PolarHBondContact O-N 3.42Å; N325-K329 WeakPolarHBondContact OD1-CE 3.41Å
326E90.2Very high89.9Confident82 Ų82101.1 Ų101.138%0.38348%0.48SS..Hα-helixtrans-65.7-45.1175.8-155.8-157.7151.800112L322 L323 R328 K329 R330L322-E326 PolarHBondContact O-N 2.83Å; L323-E326 PolarHBondContact O-N 3.04Å; E326-R328 VanDerWaalsContact C-N 3.33Å; E326-R328 PolarHBondContact O-N 3.48Å; E326-K329 PolarHBondContact O-N 2.96Å; E326-K329 VanDerWaalsContact O-N 3.16Å; E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.92Å; E326-R330 IonicContact OE1-NE 3.44Å; E326-R330 PolarHBondContact OE1-NE 2.69Å; E326-R330 IonicContact OE1-NH2 2.6Å; E326-R330 PolarHBondContact OE1-NH2 2.99Å; E326-R330 IonicContact OE2-NH2 2.72Å
327K88.6Confident90Very high150 Ų150103.2 Ų103.265%0.65249%0.489SS*.Hα-helixtrans-55-47.7172.8-77.4177.3179.6-177.90111.5L323 K329 R330 E331L323-K327 WeakPolarHBondContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CG 3.21Å; L323-K327 PolarHBondContact O-N 3.45Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 3.47Å; K327-R330 PolarHBondContact O-N 2.7Å; K327-E331 WeakPolarHBondContact O-CB 3.34Å; K327-E331 PolarHBondContact O-N 3.02Å
328R89.3Confident90.2Very high156 Ų156103.7 Ų103.759%0.58949%0.493SS*.Hα-helixtrans-61.2-40.3177.1-172.2-179.1-64.3138.34112.3E324 N325 E326 E331 V332E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.87Å; N325-R328 PolarHBondContact O-N 2.9Å; E326-R328 VanDerWaalsContact C-N 3.33Å; E326-R328 PolarHBondContact O-N 3.48Å; R328-E331 PolarHBondContact O-N 2.73Å; R328-V332 WeakPolarHBondContact O-CG2 3.4Å; R328-V332 PolarHBondContact O-N 2.86Å
329K91.2Very high90.3Very high138 Ų138103.2 Ų103.260%0.649%0.487SS*.Hα-helixtrans-64.6-42.1175-74.4173.7179.3-177.60112.2N325 E326 K327 V332 A333N325-K329 WeakPolarHBondContact O-CG 3.5Å; N325-K329 PolarHBondContact O-N 3.42Å; N325-K329 WeakPolarHBondContact OD1-CE 3.41Å; E326-K329 PolarHBondContact O-N 2.96Å; E326-K329 VanDerWaalsContact O-N 3.16Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 3.47Å; K329-V332 PolarHBondContact O-N 2.82Å; K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.46Å
330R88.9Confident90.3Very high161 Ų161103.7 Ų103.761%0.60849%0.491SS*.Hα-helixtrans-62.7-46174.9-68.7178.7-175.5-156.36.7111.2E326 K327 V332 A333 E334E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.92Å; E326-R330 IonicContact OE1-NE 3.44Å; E326-R330 PolarHBondContact OE1-NE 2.69Å; E326-R330 IonicContact OE1-NH2 2.6Å; E326-R330 PolarHBondContact OE1-NH2 2.99Å; E326-R330 IonicContact OE2-NH2 2.72Å; K327-R330 PolarHBondContact O-N 2.7Å; R330-V332 VanDerWaalsContact C-N 3.35Å; R330-V332 PolarHBondContact O-N 3Å; R330-A333 PolarHBondContact O-N 2.87Å; R330-E334 VanDerWaalsContact O-CB 3.31Å; R330-E334 WeakPolarHBondContact O-CB 3.48Å; R330-E334 PolarHBondContact O-N 3.21Å
331E90.3Very high90.5Very high93 Ų93104.8 Ų104.844%0.43550%0.499SS..Hα-helixtrans-61.2-39.5177.6-167.7-161.8146.400112.6K327 R328 K335K327-E331 WeakPolarHBondContact O-CB 3.34Å; K327-E331 PolarHBondContact O-N 3.02Å; R328-E331 PolarHBondContact O-N 2.73Å; E331-K335 HydrophobicContact CG-CD 4.47Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 2.85Å; E331-K335 VanDerWaalsContact O-N 3.11Å; E331-K335 IonicContact OE1-NZ 2.87Å; E331-K335 PolarHBondContact OE1-NZ 3.42Å
332V91.4Very high90.6Very high71 Ų71107.4 Ų107.443%0.4350%0.5SS..Hα-helixtrans-67-47.6173.41700000111R328 K329 R330 E334 K335 E336R328-V332 WeakPolarHBondContact O-CG2 3.4Å; R328-V332 PolarHBondContact O-N 2.86Å; K329-V332 PolarHBondContact O-N 2.82Å; R330-V332 VanDerWaalsContact C-N 3.35Å; R330-V332 PolarHBondContact O-N 3Å; V332-E334 VanDerWaalsContact C-N 3.27Å; V332-E334 PolarHBondContact O-N 3.05Å; V332-K335 PolarHBondContact O-N 3.21Å; V332-E336 HydrophobicContact CG1-CG 4.42Å; V332-E336 WeakPolarHBondContact O-CG 3.5Å; V332-E336 PolarHBondContact O-N 2.98Å
333A90.5Very high90.5Very high52 Ų52106.3 Ų106.343%0.4349%0.492SS..Hα-helixtrans-63.9-31.3178.800000113K329 R330 K337K329-A333 WeakPolarHBondContact O-CB 3.35Å; K329-A333 PolarHBondContact O-N 3.46Å; R330-A333 PolarHBondContact O-N 2.87Å; A333-K337 WeakPolarHBondContact O-CB 3.49Å; A333-K337 PolarHBondContact O-N 3.48Å
334E89.6Confident90.6Very high129 Ų129107.7 Ų107.760%0.60349%0.494SS*.Hα-helixtrans-69.4-43.8173.8-174.8162.3-136.700111.4R330 V332 K337 E338R330-E334 VanDerWaalsContact O-CB 3.31Å; R330-E334 WeakPolarHBondContact O-CB 3.48Å; R330-E334 PolarHBondContact O-N 3.21Å; V332-E334 VanDerWaalsContact C-N 3.27Å; V332-E334 PolarHBondContact O-N 3.05Å; E334-K337 WeakPolarHBondContact O-CB 3.34Å; E334-K337 PolarHBondContact O-N 3.39Å; E334-E338 PolarHBondContact O-N 2.99Å
335K91.9Very high90.7Very high119 Ų119109.5 Ų109.552%0.51750%0.503SS..Hα-helixtrans-66-36.3173.4-73168.1178.2175.40112.8E331 V332 K339E331-K335 HydrophobicContact CG-CD 4.47Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 2.85Å; E331-K335 VanDerWaalsContact O-N 3.11Å; E331-K335 IonicContact OE1-NZ 2.87Å; E331-K335 PolarHBondContact OE1-NZ 3.42Å; V332-K335 PolarHBondContact O-N 3.21Å; K335-K339 WeakPolarHBondContact O-CB 3.44Å; K335-K339 PolarHBondContact O-N 3.34Å; K335-K339 VanDerWaalsContact O-N 3.08Å
336E91.9Very high90.7Very high116 Ų116111.5 Ų111.554%0.54251%0.51SS..Hα-helixtrans-66.8-42171.1-73.9-179.9166.600111.3V332 K339 I340V332-E336 HydrophobicContact CG1-CG 4.42Å; V332-E336 WeakPolarHBondContact O-CG 3.5Å; V332-E336 PolarHBondContact O-N 2.98Å; E336-K339 PolarHBondContact O-N 2.88Å; E336-I340 WeakPolarHBondContact O-CB 3.47Å; E336-I340 VanDerWaalsContact O-CG1 3.28Å; E336-I340 WeakPolarHBondContact O-CG1 3.46Å; E336-I340 PolarHBondContact O-N 3.01Å
337K91.4Very high90.7Very high118 Ų118112.4 Ų112.451%0.51352%0.517SS..Hα-helixtrans-59.5-49.6173.2-179.8-174.8174.2-71.70111.3A333 E334 K339 I340 E341A333-K337 WeakPolarHBondContact O-CB 3.49Å; A333-K337 PolarHBondContact O-N 3.48Å; E334-K337 WeakPolarHBondContact O-CB 3.34Å; E334-K337 PolarHBondContact O-N 3.39Å; K337-K339 PolarHBondContact O-N 3.18Å; K337-I340 PolarHBondContact O-N 3.07Å; K337-E341 IonicContact NZ-OE1 3.62Å; K337-E341 PolarHBondContact NZ-OE1 3.47Å; K337-E341 IonicContact NZ-OE2 2.67Å; K337-E341 PolarHBondContact NZ-OE2 2.87Å; K337-E341 VanDerWaalsContact O-CB 3.27Å; K337-E341 WeakPolarHBondContact O-CB 3.39Å; K337-E341 PolarHBondContact O-N 2.82Å
338E92.1Very high90.8Very high99 Ų99109.7 Ų109.746%0.46351%0.507SS..Hα-helixtrans-56.1-40.9176.4-81.5-163.1-166.700112.3E334 E341 K342E334-E338 PolarHBondContact O-N 2.99Å; E338-E341 PolarHBondContact O-N 2.86Å; E338-K342 WeakPolarHBondContact O-CD 3.43Å; E338-K342 WeakPolarHBondContact O-CG 3.49Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 IonicContact OE2-NZ 2.65Å; E338-K342 PolarHBondContact OE2-NZ 3.03Å
339K93Very high90.8Very high122 Ų122108.4 Ų108.453%0.5351%0.508SS..Hα-helixtrans-67-45.1178.7-176.3173.1177.9-68.90111.3K335 E336 K337 E341 K342 E343K335-K339 WeakPolarHBondContact O-CB 3.44Å; K335-K339 PolarHBondContact O-N 3.34Å; K335-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 PolarHBondContact O-N 2.88Å; K337-K339 PolarHBondContact O-N 3.18Å; K339-E341 VanDerWaalsContact C-N 3.28Å; K339-E341 PolarHBondContact O-N 3.38Å; K339-K342 PolarHBondContact O-N 3.12Å; K339-E343 WeakPolarHBondContact CE-OE1 3.32Å; K339-E343 IonicContact NZ-OE1 3.3Å; K339-E343 PolarHBondContact NZ-OE1 2.73Å; K339-E343 IonicContact NZ-OE2 3.65Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.79Å
340I91.7Very high90.6Very high109 Ų109106.3 Ų106.356%0.55950%0.499SS*.Hα-helixtrans-63.7-35174.8-68.7164.3000111.1E336 K337 K344E336-I340 WeakPolarHBondContact O-CB 3.47Å; E336-I340 VanDerWaalsContact O-CG1 3.28Å; E336-I340 WeakPolarHBondContact O-CG1 3.46Å; E336-I340 PolarHBondContact O-N 3.01Å; K337-I340 PolarHBondContact O-N 3.07Å; I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 PolarHBondContact O-N 3.21Å
341E90.1Very high90.3Very high86 Ų86104 Ų10440%0.40250%0.498SS..Hα-helixtrans-69.6-42.8178.8-162.9149-138.700111.3K337 E338 K339 K344 E345K337-E341 IonicContact NZ-OE1 3.62Å; K337-E341 PolarHBondContact NZ-OE1 3.47Å; K337-E341 IonicContact NZ-OE2 2.67Å; K337-E341 PolarHBondContact NZ-OE2 2.87Å; K337-E341 VanDerWaalsContact O-CB 3.27Å; K337-E341 WeakPolarHBondContact O-CB 3.39Å; K337-E341 PolarHBondContact O-N 2.82Å; E338-E341 PolarHBondContact O-N 2.86Å; K339-E341 VanDerWaalsContact C-N 3.28Å; K339-E341 PolarHBondContact O-N 3.38Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.06Å; E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 3.11Å
342K91.9Very high90.3Very high111 Ų111105.8 Ų105.848%0.48350%0.504SS..Hα-helixtrans-64.5-44.9171.2-70.8159.2-175.21560112.4E338 K339 K344 E345 E346E338-K342 WeakPolarHBondContact O-CD 3.43Å; E338-K342 WeakPolarHBondContact O-CG 3.49Å; E338-K342 PolarHBondContact O-N 2.94Å; E338-K342 IonicContact OE2-NZ 2.65Å; E338-K342 PolarHBondContact OE2-NZ 3.03Å; K339-K342 PolarHBondContact O-N 3.12Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 2.97Å; K342-E345 PolarHBondContact O-N 3.33Å; K342-E346 PolarHBondContact O-N 3.02Å
343E91.3Very high90Very high84 Ų84107.3 Ų107.339%0.39351%0.507SS..Hα-helixtrans-62.5-35.7175.2-76.1172.4-176.300112K339 L347K339-E343 WeakPolarHBondContact CE-OE1 3.32Å; K339-E343 IonicContact NZ-OE1 3.3Å; K339-E343 PolarHBondContact NZ-OE1 2.73Å; K339-E343 IonicContact NZ-OE2 3.65Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.46Å; K339-E343 PolarHBondContact O-N 2.79Å; E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 VanDerWaalsContact O-CG 3.22Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 2.81Å
344K89.6Confident89.7Confident117 Ų117109.2 Ų109.251%0.50951%0.509SS..Hα-helixtrans-67.9-41.2172.7-179.1-157169.8-158.60111.6I340 E341 K342 L347 M348I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 PolarHBondContact O-N 3.21Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.06Å; K342-K344 VanDerWaalsContact C-N 3.28Å; K342-K344 PolarHBondContact O-N 2.97Å; K344-L347 PolarHBondContact O-N 3.21Å; K344-M348 HydrophobicContact CD-CE 4.29Å; K344-M348 HydrophobicContact CG-CE 4.14Å; K344-M348 HydrophobicContact CG-CG 4.44Å; K344-M348 HydrophobicContact CG-SD 4.31Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.28Å; K344-M348 WeakPolarHBondContact O-CG 3.35Å; K344-M348 PolarHBondContact O-N 3.34Å
345E89.6Confident89.2Confident118 Ų118109.5 Ų109.555%0.55151%0.51SS*.Hα-helixtrans-60.8-48.4174.3-74.9178.7154.100111.3E341 K342 L347 M348 E349E341-E345 WeakPolarHBondContact O-CG 3.4Å; E341-E345 PolarHBondContact O-N 3.11Å; K342-E345 PolarHBondContact O-N 3.33Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.59Å; E345-M348 HydrophobicContact CG-CE 4.06Å; E345-M348 PolarHBondContact O-N 2.96Å; E345-E349 PolarHBondContact O-N 2.79Å
346E90.6Very high88.8Confident110 Ų110107.5 Ų107.551%0.51451%0.505SS..Hα-helixtrans-57.6-41.3173-77.1-168.8-145.800112.9K342 E349 K350K342-E346 PolarHBondContact O-N 3.02Å; E346-E349 PolarHBondContact O-N 2.78Å; E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CD 2.99Å; E346-K350 VanDerWaalsContact O-CG 3.22Å; E346-K350 WeakPolarHBondContact O-CG 3.41Å; E346-K350 PolarHBondContact O-N 2.96Å; E346-K350 IonicContact OE2-NZ 2.98Å; E346-K350 PolarHBondContact OE2-NZ 2.83Å
347L90.4Very high88.3Confident101 Ų101107.7 Ų107.753%0.52951%0.506SS..Hα-helixtrans-71.3-34.8178.5-76.9169.1000112.4E343 K344 E345 L351E343-L347 WeakPolarHBondContact O-CB 3.35Å; E343-L347 VanDerWaalsContact O-CG 3.22Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 2.81Å; K344-L347 PolarHBondContact O-N 3.21Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.59Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.48Å; L347-L351 PolarHBondContact O-N 3.27Å
348M89.3Confident87.5Confident93 Ų93105.5 Ų105.546%0.45850%0.503SS..Hα-helixtrans-67.5-38.2173-73.7-176.1-5500111.2K344 E345 L351 K352K344-M348 HydrophobicContact CD-CE 4.29Å; K344-M348 HydrophobicContact CG-CE 4.14Å; K344-M348 HydrophobicContact CG-CG 4.44Å; K344-M348 HydrophobicContact CG-SD 4.31Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.28Å; K344-M348 WeakPolarHBondContact O-CG 3.35Å; K344-M348 PolarHBondContact O-N 3.34Å; E345-M348 HydrophobicContact CG-CE 4.06Å; E345-M348 PolarHBondContact O-N 2.96Å; M348-L351 PolarHBondContact O-N 2.85Å; M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 3.39Å
349E89.2Confident87Confident129 Ų129106.3 Ų106.360%0.60351%0.505SS*.Hα-helixtrans-69-41.3174.7-173.8160.1-142.900112E345 E346 K352 Q353E345-E349 PolarHBondContact O-N 2.79Å; E346-E349 PolarHBondContact O-N 2.78Å; E349-K352 PolarHBondContact O-N 3.34Å; E349-Q353 WeakPolarHBondContact O-CG 3.45Å; E349-Q353 PolarHBondContact O-N 3.5Å
350K88.2Confident86.4Confident95 Ų95106.9 Ų106.941%0.41351%0.507SS..Hα-helixtrans-62-43.2171.9-71.4160.3-166.9158.50111.9E346 K352 Q353 I354E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CD 2.99Å; E346-K350 VanDerWaalsContact O-CG 3.22Å; E346-K350 WeakPolarHBondContact O-CG 3.41Å; E346-K350 PolarHBondContact O-N 2.96Å; E346-K350 IonicContact OE2-NZ 2.98Å; E346-K350 PolarHBondContact OE2-NZ 2.83Å; K350-K352 PolarHBondContact O-N 3.07Å; K350-Q353 PolarHBondContact O-N 2.66Å; K350-I354 VanDerWaalsContact O-CG1 3.3Å; K350-I354 WeakPolarHBondContact O-CG1 3.39Å; K350-I354 PolarHBondContact O-N 3.09Å
351L83.3Confident85.7Confident112 Ų112104 Ų10459%0.58650%0.5SS*.Hα-helixtrans-62.5-40.8175-80.5169.7000111.8L347 M348 I354 E355L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.48Å; L347-L351 PolarHBondContact O-N 3.27Å; M348-L351 PolarHBondContact O-N 2.85Å; L351-I354 CarbonylContact O-C 3.59Å; L351-I354 PolarHBondContact O-N 2.98Å; L351-E355 WeakPolarHBondContact O-CB 3.49Å; L351-E355 PolarHBondContact O-N 3.36Å
352K88.4Confident85Confident130 Ų130105.5 Ų105.557%0.56551%0.507SS*.Hα-helixtrans-64.9-40.4174.8-175.2-176.1173.5-169.90112.1M348 E349 K350 I354 E355 D356M348-K352 WeakPolarHBondContact O-CB 3.46Å; M348-K352 PolarHBondContact O-N 3.39Å; E349-K352 PolarHBondContact O-N 3.34Å; K350-K352 PolarHBondContact O-N 3.07Å; K352-I354 VanDerWaalsContact C-N 3.32Å; K352-I354 PolarHBondContact O-N 3.38Å; K352-E355 PolarHBondContact O-N 2.87Å; K352-D356 WeakPolarHBondContact O-CB 3.12Å; K352-D356 PolarHBondContact O-N 3.38Å
353Q85.3Confident84.4Confident104 Ų104105.1 Ų105.149%0.48651%0.507SS..Hα-helixtrans-62.3-40.5173.5-71.3172.619.500111.6E349 K350 Q357E349-Q353 WeakPolarHBondContact O-CG 3.45Å; E349-Q353 PolarHBondContact O-N 3.5Å; K350-Q353 PolarHBondContact O-N 2.66Å; Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 3.18Å
354I84Confident83.7Confident92 Ų92107.2 Ų107.247%0.47252%0.517SS..Hα-helixtrans-66.2-42.1174-67.6164.4000110.5K350 L351 K352 Q357 T358K350-I354 VanDerWaalsContact O-CG1 3.3Å; K350-I354 WeakPolarHBondContact O-CG1 3.39Å; K350-I354 PolarHBondContact O-N 3.09Å; L351-I354 CarbonylContact O-C 3.59Å; L351-I354 PolarHBondContact O-N 2.98Å; K352-I354 VanDerWaalsContact C-N 3.32Å; K352-I354 PolarHBondContact O-N 3.38Å; I354-Q357 CarbonylContact O-C 3.53Å; I354-Q357 PolarHBondContact O-N 2.9Å; I354-T358 WeakPolarHBondContact O-CB 3.27Å; I354-T358 PolarHBondContact O-N 3Å; I354-T358 PolarHBondContact O-OG1 2.92Å
355E79.8Confident83Confident134 Ų134104.7 Ų104.763%0.62651%0.508SS*.Hα-helixtrans-63.2-46176.4-171.8179.8-179.300111.7L351 K352 Q357 T358 K359L351-E355 WeakPolarHBondContact O-CB 3.49Å; L351-E355 PolarHBondContact O-N 3.36Å; K352-E355 PolarHBondContact O-N 2.87Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.35Å; E355-T358 PolarHBondContact O-N 2.64Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 PolarHBondContact O-N 3.17Å
356D84.8Confident82.4Confident78 Ų78105.7 Ų105.742%0.41751%0.513SS..Hα-helixtrans-62.9-33.4174.2-80.7-35.6000112K352 K360K352-D356 WeakPolarHBondContact O-CB 3.12Å; K352-D356 PolarHBondContact O-N 3.38Å; D356-K360 WeakPolarHBondContact O-CB 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.49Å; D356-K360 WeakPolarHBondContact O-CG 3.4Å; D356-K360 PolarHBondContact O-N 3.2Å; D356-K360 VanDerWaalsContact O-N 3.16Å
357Q80.4Confident81.9Confident120 Ų120105.4 Ų105.456%0.56151%0.512SS*.Hα-helixtrans-73.2-46.7173.3-76.4170.59.800112.3Q353 I354 E355 K359 K360 A361Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.4Å; Q353-Q357 PolarHBondContact O-N 3.18Å; I354-Q357 CarbonylContact O-C 3.53Å; I354-Q357 PolarHBondContact O-N 2.9Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.35Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.33Å; Q357-K360 PolarHBondContact O-N 3.27Å; Q357-A361 WeakPolarHBondContact O-CB 3.43Å; Q357-A361 PolarHBondContact O-N 2.98Å
358T75Confident81.2Confident72 Ų72103.7 Ų103.744%0.44250%0.501SS..Hα-helixtrans-62.3-40.2177.3-59.30000110.7I354 E355 A361 Q362I354-T358 WeakPolarHBondContact O-CB 3.27Å; I354-T358 PolarHBondContact O-N 3Å; I354-T358 PolarHBondContact O-OG1 2.92Å; E355-T358 PolarHBondContact O-N 2.64Å; T358-A361 PolarHBondContact O-N 3.3Å; T358-Q362 WeakPolarHBondContact O-CB 3.38Å; T358-Q362 WeakPolarHBondContact O-CG 3.32Å; T358-Q362 PolarHBondContact O-N 3.45Å
359K81.7Confident80.6Confident116 Ų116103.3 Ų103.350%0.50450%0.504SS..Hα-helixtrans-66.1-41.4175.8-174.9174.3-178.7176.40112.2E355 Q357 Q362 Q363E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 PolarHBondContact O-N 3.17Å; Q357-K359 VanDerWaalsContact C-N 3.31Å; Q357-K359 PolarHBondContact O-N 3.33Å; K359-Q362 PolarHBondContact O-N 2.79Å; K359-Q363 WeakPolarHBondContact O-CG 3.43Å; K359-Q363 PolarHBondContact O-N 3.29Å
360K80.6Confident80.2Confident134 Ų134101.7 Ų101.758%0.58350%0.496SS*.Hα-helixtrans-61.4-46.7171.1-77167.9-175.6172.30111.6D356 Q357 Q362 Q363 E364D356-K360 WeakPolarHBondContact O-CB 3.23Å; D356-K360 WeakPolarHBondContact O-CD 3.49Å; D356-K360 WeakPolarHBondContact O-CG 3.4Å; D356-K360 PolarHBondContact O-N 3.2Å; D356-K360 VanDerWaalsContact O-N 3.16Å; Q357-K360 PolarHBondContact O-N 3.27Å; K360-Q362 VanDerWaalsContact C-N 3.29Å; K360-Q362 PolarHBondContact O-N 3.47Å; K360-Q363 PolarHBondContact O-N 3.27Å; K360-E364 VanDerWaalsContact O-CB 3.27Å; K360-E364 WeakPolarHBondContact O-CB 3.49Å; K360-E364 PolarHBondContact O-N 3.32Å
361A77.1Confident79.7Confident49 Ų49103.5 Ų103.541%0.40550%0.501SS..Hα-helixtrans-62-35.8176.800000112.2Q357 T358 L365Q357-A361 WeakPolarHBondContact O-CB 3.43Å; Q357-A361 PolarHBondContact O-N 2.98Å; T358-A361 PolarHBondContact O-N 3.3Å; A361-L365 WeakPolarHBondContact O-CB 3.23Å; A361-L365 PolarHBondContact O-N 3.2Å
362Q74.3Confident79.3Confident117 Ų11799.6 Ų99.655%0.54749%0.485SS..Hα-helixtrans-66.2-46.2171.9-78.8179.6-34.500112.2T358 K359 K360 L365 E366T358-Q362 WeakPolarHBondContact O-CB 3.38Å; T358-Q362 WeakPolarHBondContact O-CG 3.32Å; T358-Q362 PolarHBondContact O-N 3.45Å; K359-Q362 PolarHBondContact O-N 2.79Å; K360-Q362 VanDerWaalsContact C-N 3.29Å; K360-Q362 PolarHBondContact O-N 3.47Å; Q362-L365 PolarHBondContact O-N 3.1Å; Q362-E366 WeakPolarHBondContact O-CB 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.33Å; Q362-E366 PolarHBondContact O-N 3.44Å
363Q79.1Confident79Confident103 Ų10397.2 Ų97.248%0.48148%0.478SS..Hα-helixtrans-64.4-41.3177.1-70.5-178.9-6500112K359 K360 L365 E366 E367K359-Q363 WeakPolarHBondContact O-CG 3.43Å; K359-Q363 PolarHBondContact O-N 3.29Å; K360-Q363 PolarHBondContact O-N 3.27Å; Q363-L365 VanDerWaalsContact C-N 3.34Å; Q363-E366 PolarHBondContact O-N 2.9Å; Q363-E367 PolarHBondContact O-N 2.98Å
364E76.4Confident78.8Confident128 Ų12897.2 Ų97.260%0.59848%0.477SS*.Hα-helixtrans-66.1-36.9175.7-171.1162.4-150.300111.1K360 E367 Q368K360-E364 VanDerWaalsContact O-CB 3.27Å; K360-E364 WeakPolarHBondContact O-CB 3.49Å; K360-E364 PolarHBondContact O-N 3.32Å; E364-E367 PolarHBondContact O-N 3.38Å; E364-Q368 WeakPolarHBondContact O-CB 3.33Å; E364-Q368 WeakPolarHBondContact O-CG 3.36Å; E364-Q368 PolarHBondContact O-N 3.11Å
365L75.4Confident78.5Confident63 Ų6395.1 Ų95.133%0.3347%0.467SS..Hα-helixtrans-69.3-37.6173.1-172.769.4000112.6A361 Q362 Q363 Q368 T369 L456A361-L365 WeakPolarHBondContact O-CB 3.23Å; A361-L365 PolarHBondContact O-N 3.2Å; Q362-L365 PolarHBondContact O-N 3.1Å; Q363-L365 VanDerWaalsContact C-N 3.34Å; L365-Q368 PolarHBondContact O-N 3.4Å; L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.35Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 2.87Å; L365-L456 HydrophobicContact CD1-CD1 3.92Å; L365-L456 HydrophobicContact CD2-CD1 3.77Å; L365-L456 HydrophobicContact CG-CD1 4.32Å
366E77.8Confident78.3Confident139 Ų13994.5 Ų94.565%0.6546%0.464SS*.Hα-helixtrans-64.1-43.9172.3-76.7179.2158.800110.8Q362 Q363 T369 Q370Q362-E366 WeakPolarHBondContact O-CB 3.32Å; Q362-E366 WeakPolarHBondContact O-CG 3.33Å; Q362-E366 PolarHBondContact O-N 3.44Å; Q363-E366 PolarHBondContact O-N 2.9Å; E366-T369 PolarHBondContact O-N 2.72Å; E366-Q370 WeakPolarHBondContact O-CB 3.34Å; E366-Q370 PolarHBondContact O-N 3.17Å
367E79.9Confident78.1Confident105 Ų10595.2 Ų95.249%0.49147%0.465SS..Hα-helixtrans-63.3-44173-78.1-165.2-139.100112.7Q363 E364 T369 Q370 R371Q363-E367 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 3.38Å; E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 2.78Å; E367-Q370 PolarHBondContact O-N 3.21Å; E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 WeakPolarHBondContact O-CG 3.45Å; E367-R371 PolarHBondContact O-N 2.9Å; E367-R371 IonicContact OE2-CZ 2.6Å; E367-R371 IonicContact OE2-NE 3.78Å; E367-R371 IonicContact OE2-NH2 3.85Å; E367-R371 PolarHBondContact OE2-NH2 3.13Å
368Q75.8Confident78Confident65 Ų6593.6 Ų93.630%0.30446%0.457SS..Hα-helixtrans-58.6-45.8174.7-72.2-90.625.700110.8E364 L365 R371 A372 V452E364-Q368 WeakPolarHBondContact O-CB 3.33Å; E364-Q368 WeakPolarHBondContact O-CG 3.36Å; E364-Q368 PolarHBondContact O-N 3.11Å; L365-Q368 PolarHBondContact O-N 3.4Å; Q368-R371 PolarHBondContact O-N 3.22Å; Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.5Å; Q368-V452 HydrophobicContact CB-CG1 3.92Å
369T76.2Confident78.1Confident85 Ų8593.4 Ų93.452%0.52145%0.448SS..Hα-helixtrans-64.3-44.3178.5-56.70000111.7L365 E366 E367 A372 L373L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.35Å; L365-T369 PolarHBondContact O-N 2.79Å; L365-T369 PolarHBondContact O-OG1 2.87Å; E366-T369 PolarHBondContact O-N 2.72Å; E367-T369 VanDerWaalsContact C-N 3.33Å; E367-T369 PolarHBondContact O-N 2.78Å; T369-A372 PolarHBondContact O-N 3.21Å; T369-L373 PolarHBondContact O-N 2.99Å
370Q80.1Confident77.8Confident94 Ų9493.3 Ų93.344%0.43945%0.448SS..Hα-helixtrans-64.4-43.9177.8179.259.429.300111.7E366 E367 L373 E374E366-Q370 WeakPolarHBondContact O-CB 3.34Å; E366-Q370 PolarHBondContact O-N 3.17Å; E367-Q370 PolarHBondContact O-N 3.21Å; Q370-L373 PolarHBondContact O-N 3.5Å; Q370-E374 PolarHBondContact NE2-OE1 3.24Å; Q370-E374 WeakPolarHBondContact O-CG 3.33Å; Q370-E374 PolarHBondContact O-N 3.45Å
371R78.1Confident77.7Confident134 Ų13493.8 Ų93.851%0.50645%0.446SS..Hα-helixtrans-62.9-42.9174.9-69.5172.1-162.4177.77.2111.4E367 Q368 L373 E374 L375E367-R371 WeakPolarHBondContact O-CB 3.47Å; E367-R371 WeakPolarHBondContact O-CG 3.45Å; E367-R371 PolarHBondContact O-N 2.9Å; E367-R371 IonicContact OE2-CZ 2.6Å; E367-R371 IonicContact OE2-NE 3.78Å; E367-R371 IonicContact OE2-NH2 3.85Å; E367-R371 PolarHBondContact OE2-NH2 3.13Å; Q368-R371 PolarHBondContact O-N 3.22Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.34Å; R371-E374 PolarHBondContact O-N 3.08Å; R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.26Å; R371-L375 PolarHBondContact O-N 3.3Å
372A75.4Confident77.5Confident30 Ų3092.1 Ų92.125%0.24843%0.432CS..Hα-helixtrans-58.9-42.2175.800000111.9Q368 T369 L375 E376 V452Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.5Å; T369-A372 PolarHBondContact O-N 3.21Å; A372-L375 PolarHBondContact O-N 3.01Å; A372-E376 WeakPolarHBondContact O-CB 3.28Å; A372-E376 PolarHBondContact O-N 3.35Å; A372-V452 HydrophobicContact CB-CG1 4.4Å
373L81.1Confident77.5Confident80 Ų8090.4 Ų90.442%0.41942%0.424SS..Hα-helixtrans-65.5-38.8176.1-177.965.1000112.9T369 Q370 R371 E376 Q377T369-L373 PolarHBondContact O-N 2.99Å; Q370-L373 PolarHBondContact O-N 3.5Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.34Å; L373-E376 PolarHBondContact O-N 3.16Å; L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 2.94Å; L373-Q377 VanDerWaalsContact O-N 3.09Å
374E81.5Confident77.5Confident103 Ų10390.1 Ų90.148%0.48142%0.422SS..Hα-helixtrans-66.8-42.8174.8-74.4170.9-167.500111.7Q370 R371 E376 Q377 E378Q370-E374 PolarHBondContact NE2-OE1 3.24Å; Q370-E374 WeakPolarHBondContact O-CG 3.33Å; Q370-E374 PolarHBondContact O-N 3.45Å; R371-E374 PolarHBondContact O-N 3.08Å; E374-E376 PolarHBondContact O-N 3.47Å; E374-Q377 PolarHBondContact O-N 3.4Å; E374-E378 PolarHBondContact O-N 3.35Å
375L77.5Confident77.5Confident48 Ų4888 Ų8825%0.25141%0.412SS..Hα-helixtrans-64.2-38.1174.8-67.3-175.8000112.2R371 A372 E378 R379 W445 K448R371-L375 VanDerWaalsContact O-CG 3.29Å; R371-L375 WeakPolarHBondContact O-CG 3.26Å; R371-L375 PolarHBondContact O-N 3.3Å; A372-L375 PolarHBondContact O-N 3.01Å; L375-E378 PolarHBondContact O-N 2.87Å; L375-R379 VanDerWaalsContact O-CB 3.26Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 PolarHBondContact O-N 2.94Å; L375-W445 HydrophobicContact CD1-CE3 4.49Å; L375-W445 HydrophobicContact CD2-CD2 4.46Å; L375-W445 HydrophobicContact CD2-CE3 3.55Å; L375-W445 HydrophobicContact CD2-CH2 4.2Å; L375-W445 HydrophobicContact CD2-CZ3 3.41Å; L375-W445 VanDerWaalsContact CD2-CZ3 3.41Å; L375-K448 HydrophobicContact CD1-CB 4.36Å
376E76.1Confident77.4Confident122 Ų12286.1 Ų86.157%0.5741%0.406SS*.Hα-helixtrans-65.1-40174.9-173.2174.4-160.200111.9A372 L373 E374 K380A372-E376 WeakPolarHBondContact O-CB 3.28Å; A372-E376 PolarHBondContact O-N 3.35Å; L373-E376 PolarHBondContact O-N 3.16Å; E374-E376 PolarHBondContact O-N 3.47Å; E376-K380 WeakPolarHBondContact O-CB 3.38Å; E376-K380 PolarHBondContact O-N 2.89Å
377Q81.2Confident77.3Confident92 Ų9284.5 Ų84.543%0.4340%0.398SS..Hα-helixtrans-63.7-44.3174.3-73.8177.448.500112.2L373 E374 K380 R381L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 2.94Å; L373-Q377 VanDerWaalsContact O-N 3.09Å; E374-Q377 PolarHBondContact O-N 3.4Å; Q377-K380 PolarHBondContact O-N 3.05Å; Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.14Å
378E78.7Confident77.4Confident87 Ų8785.5 Ų85.541%0.40740%0.398SS..Hα-helixtrans-70.7-35.5-179.4-153.371.3168.100111.9E374 L375 R381 S382E374-E378 PolarHBondContact O-N 3.35Å; L375-E378 PolarHBondContact O-N 2.87Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 WeakPolarHBondContact OE2-CD 2.95Å; E378-R381 IonicContact OE2-CZ 2.7Å; E378-R381 IonicContact OE2-NE 2.71Å; E378-R381 IonicContact OE2-NH1 3.64Å; E378-R381 PolarHBondContact OE2-NH1 3.12Å; E378-S382 WeakPolarHBondContact O-CB 3.47Å; E378-S382 PolarHBondContact O-N 3.1Å; E378-S382 PolarHBondContact O-OG 3.06Å
379R75.4Confident77.4Confident67 Ų6783.7 Ų83.725%0.25339%0.39SS..Hα-helixtrans-59.7-45.1169-165.8-166.380.779.622.8111L375 S382 Q383 W445L375-R379 VanDerWaalsContact O-CB 3.26Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 PolarHBondContact O-N 2.94Å; R379-S382 PolarHBondContact O-N 3.28Å; R379-Q383 WeakPolarHBondContact O-CB 3.36Å; R379-Q383 PolarHBondContact O-N 2.85Å; R379-W445 HydrophobicContact CB-CB 4.44Å; R379-W445 HydrophobicContact CG-CB 4.36Å
380K77.1Confident77.4Confident114 Ų11484.3 Ų84.350%0.49639%0.387SS..Hα-helixtrans-64-44.1179.4-171173.5-174.1-68.60112.2E376 Q377 Q383 E384E376-K380 WeakPolarHBondContact O-CB 3.38Å; E376-K380 PolarHBondContact O-N 2.89Å; Q377-K380 PolarHBondContact O-N 3.05Å; K380-Q383 PolarHBondContact O-N 2.71Å; K380-E384 IonicContact NZ-OE1 2.79Å; K380-E384 PolarHBondContact NZ-OE1 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.34Å; K380-E384 PolarHBondContact O-N 2.77Å
381R77.6Confident77.3Confident144 Ų14484 Ų8454%0.54340%0.396SS..Hα-helixtrans-60.6-44.7173.5-70.8173-179.3162.8-1.8112.3Q377 E378 Q383 E384 E385Q377-R381 WeakPolarHBondContact O-CG 3.28Å; Q377-R381 PolarHBondContact O-N 3.14Å; E378-R381 PolarHBondContact O-N 3.41Å; E378-R381 WeakPolarHBondContact OE2-CD 2.95Å; E378-R381 IonicContact OE2-CZ 2.7Å; E378-R381 IonicContact OE2-NE 2.71Å; E378-R381 IonicContact OE2-NH1 3.64Å; E378-R381 PolarHBondContact OE2-NH1 3.12Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.03Å; R381-E384 PolarHBondContact O-N 3.39Å; R381-E385 PolarHBondContact O-N 2.79Å
382S72.6Confident77.2Confident15 Ų1581.9 Ų81.911%0.10539%0.391CS..Hα-helixtrans-63.3-37.7178.9-56.90000111.6E378 R379 A386E378-S382 WeakPolarHBondContact O-CB 3.47Å; E378-S382 PolarHBondContact O-N 3.1Å; E378-S382 PolarHBondContact O-OG 3.06Å; R379-S382 PolarHBondContact O-N 3.28Å; S382-A386 WeakPolarHBondContact O-CB 3.49Å; S382-A386 PolarHBondContact O-N 3.34Å
383Q73.8Confident77Confident80 Ų8081.7 Ų81.737%0.37439%0.386SS..Hα-helixtrans-67.4-47.3173.9-169.7-175-34.800111.8R379 K380 R381 E385 A386 E387R379-Q383 WeakPolarHBondContact O-CB 3.36Å; R379-Q383 PolarHBondContact O-N 2.85Å; K380-Q383 PolarHBondContact O-N 2.71Å; R381-Q383 VanDerWaalsContact C-N 3.29Å; R381-Q383 PolarHBondContact O-N 3.03Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 3.32Å; Q383-A386 PolarHBondContact O-N 2.87Å; Q383-A386 VanDerWaalsContact O-N 3.17Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.38Å; Q383-E387 PolarHBondContact NE2-OE1 3.17Å; Q383-E387 WeakPolarHBondContact O-CG 3.06Å; Q383-E387 PolarHBondContact O-N 3.03Å
384E80Confident76.9Confident97 Ų9783.6 Ų83.645%0.45339%0.391SS..Hα-helixtrans-60.5-36.3177.1-73.9170.3176.800112.6K380 R381 R388K380-E384 IonicContact NZ-OE1 2.79Å; K380-E384 PolarHBondContact NZ-OE1 3.3Å; K380-E384 WeakPolarHBondContact O-CG 3.34Å; K380-E384 PolarHBondContact O-N 2.77Å; R381-E384 PolarHBondContact O-N 3.39Å; E384-R388 PolarHBondContact O-N 2.84Å; E384-R388 VanDerWaalsContact O-N 3.13Å
385E76.7Confident76.8Confident83 Ų8380.5 Ų80.539%0.38839%0.387SS..Hα-helixtrans-71.5-39.6173.7-177.7160.8-120.900112.5R381 Q383 R388 L389R381-E385 PolarHBondContact O-N 2.79Å; Q383-E385 VanDerWaalsContact C-N 3.3Å; Q383-E385 PolarHBondContact O-N 3.32Å; E385-R388 PolarHBondContact O-N 2.86Å; E385-R388 IonicContact OE1-NH1 3.65Å; E385-L389 HydrophobicContact CG-CD1 4.2Å; E385-L389 WeakPolarHBondContact O-CG 3.4Å; E385-L389 PolarHBondContact O-N 3.3Å
386A72.7Confident76.6Confident24 Ų2479.1 Ų79.120%0.19838%0.382CS..Hα-helixtrans-64.2-42.2175.500000112.3S382 Q383 R388 L389 E390S382-A386 WeakPolarHBondContact O-CB 3.49Å; S382-A386 PolarHBondContact O-N 3.34Å; Q383-A386 PolarHBondContact O-N 2.87Å; Q383-A386 VanDerWaalsContact O-N 3.17Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.45Å; A386-L389 PolarHBondContact O-N 2.8Å; A386-E390 WeakPolarHBondContact O-CB 3.1Å; A386-E390 PolarHBondContact O-N 3.4Å
387E76.7Confident76.4Confident105 Ų10577.7 Ų77.749%0.49138%0.375SS..Hα-helixtrans-62.4-37.5174-72.2174.1-162.300111.4Q383 S391Q383-E387 WeakPolarHBondContact CG-OE1 3.38Å; Q383-E387 PolarHBondContact NE2-OE1 3.17Å; Q383-E387 WeakPolarHBondContact O-CG 3.06Å; Q383-E387 PolarHBondContact O-N 3.03Å; E387-S391 PolarHBondContact O-N 3.28Å; E387-S391 VanDerWaalsContact O-N 3.13Å
388R81.1Confident76.3Confident127 Ų12778.9 Ų78.948%0.47938%0.381SS..Hα-helixtrans-65.7-46.1173.9-156-165.187-123.8-3.6112E384 E385 A386 E390 S391 E392E384-R388 PolarHBondContact O-N 2.84Å; E384-R388 VanDerWaalsContact O-N 3.13Å; E385-R388 PolarHBondContact O-N 2.86Å; E385-R388 IonicContact OE1-NH1 3.65Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.45Å; R388-E390 VanDerWaalsContact C-N 3.32Å; R388-E390 PolarHBondContact O-N 2.87Å; R388-S391 PolarHBondContact O-N 3.09Å; R388-E392 IonicContact CZ-OE1 3.22Å; R388-E392 IonicContact NE-OE1 2.76Å; R388-E392 PolarHBondContact NE-OE1 3.06Å; R388-E392 IonicContact NH2-OE1 2.79Å; R388-E392 PolarHBondContact NH2-OE1 2.84Å; R388-E392 PolarHBondContact O-N 2.88Å
389L76.4Confident76.2Confident26 Ų2677 Ų7714%0.13638%0.379CS..Hα-helixtrans-63.9-36.1178.1-72.5170.1000112.1E385 A386 E392 L393 L431E385-L389 HydrophobicContact CG-CD1 4.2Å; E385-L389 WeakPolarHBondContact O-CG 3.4Å; E385-L389 PolarHBondContact O-N 3.3Å; A386-L389 PolarHBondContact O-N 2.8Å; L389-E392 PolarHBondContact O-N 2.74Å; L389-L393 VanDerWaalsContact O-CB 3.32Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.31Å; L389-L431 HydrophobicContact CD2-CD2 4.06Å
390E74.9Confident76.2Confident99 Ų9976.2 Ų76.246%0.46338%0.378SS..Hα-helixtrans-64.5-40.7173.2-178.5162.8-100.100112A386 R388 L393 K394 K435A386-E390 WeakPolarHBondContact O-CB 3.1Å; A386-E390 PolarHBondContact O-N 3.4Å; R388-E390 VanDerWaalsContact C-N 3.32Å; R388-E390 PolarHBondContact O-N 2.87Å; E390-L393 PolarHBondContact O-N 3.16Å; E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 PolarHBondContact O-N 3.23Å; E390-K435 IonicContact OE1-NZ 3.91Å; E390-K435 PolarHBondContact OE1-NZ 2.83Å
391S78.4Confident75.9Confident88 Ų8876.5 Ų76.562%0.61538%0.383SS*.Hα-helixtrans-67.1-35.1173.5-169.90000113.1E387 R388 G395E387-S391 PolarHBondContact O-N 3.28Å; E387-S391 VanDerWaalsContact O-N 3.13Å; R388-S391 PolarHBondContact O-N 3.09Å; S391-G395 PolarHBondContact O-N 3.14Å
392E76.1Confident75.8Confident89 Ų8972.4 Ų72.442%0.41638%0.379SS..Hα-helixtrans-68.7-42.4174.1-74-178.1-136.300111.8R388 L389 G395 A396R388-E392 IonicContact CZ-OE1 3.22Å; R388-E392 IonicContact NE-OE1 2.76Å; R388-E392 PolarHBondContact NE-OE1 3.06Å; R388-E392 IonicContact NH2-OE1 2.79Å; R388-E392 PolarHBondContact NH2-OE1 2.84Å; R388-E392 PolarHBondContact O-N 2.88Å; L389-E392 PolarHBondContact O-N 2.74Å; E392-G395 PolarHBondContact O-N 2.56Å; E392-A396 PolarHBondContact O-N 2.87Å
393L72.2Confident75.6Confident25 Ų2574.1 Ų74.113%0.13139%0.387CS..Hα-helixtrans-63.1-49177.1-176.6153.1000110.9L389 E390 G395 A396 E397 L431 E432L389-L393 VanDerWaalsContact O-CB 3.32Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.31Å; E390-L393 PolarHBondContact O-N 3.16Å; L393-G395 VanDerWaalsContact C-N 3.31Å; L393-G395 PolarHBondContact O-N 3.12Å; L393-A396 CarbonylContact O-C 3.57Å; L393-A396 WeakPolarHBondContact O-CA 3.19Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 2.92Å; L393-E397 HydrophobicContact CD2-CG 4.05Å; L393-E397 PolarHBondContact O-N 3.44Å; L393-L431 HydrophobicContact CD1-CB 4.17Å; L393-E432 HydrophobicContact CD1-CG 3.97Å
394K77.8Confident75.1Confident121 Ų12173.8 Ų73.853%0.52639%0.387SS..Hα-helixtrans-59.7-41.1177.8-177.2175.4174.1-179.70112.2E390 A396 E397 E398E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 PolarHBondContact O-N 3.23Å; K394-A396 VanDerWaalsContact C-N 3.29Å; K394-A396 PolarHBondContact O-N 3.06Å; K394-E397 PolarHBondContact O-N 2.94Å; K394-E398 WeakPolarHBondContact CE-OE1 3.11Å; K394-E398 WeakPolarHBondContact O-CG 3.24Å; K394-E398 PolarHBondContact O-N 3.48Å
395G79.9Confident74.4Confident38 Ų3875.4 Ų75.439%0.39240%0.395SS..Hα-helixtrans-62.6-34.6173.600000113.2S391 E392 L393 A399S391-G395 PolarHBondContact O-N 3.14Å; E392-G395 PolarHBondContact O-N 2.56Å; L393-G395 VanDerWaalsContact C-N 3.31Å; L393-G395 PolarHBondContact O-N 3.12Å; G395-A399 WeakPolarHBondContact O-CB 3.48Å; G395-A399 PolarHBondContact O-N 2.96Å
396A72.6Confident73.7Confident18 Ų1877 Ų7715%0.14940%0.403CS..Hα-helixtrans-72.1-36.1174.500000112.8E392 L393 K394 K400E392-A396 PolarHBondContact O-N 2.87Å; L393-A396 CarbonylContact O-C 3.57Å; L393-A396 WeakPolarHBondContact O-CA 3.19Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 2.92Å; K394-A396 VanDerWaalsContact C-N 3.29Å; K394-A396 PolarHBondContact O-N 3.06Å; A396-K400 VanDerWaalsContact O-CB 3.28Å; A396-K400 WeakPolarHBondContact O-CB 3.12Å; A396-K400 PolarHBondContact O-N 3.21Å
397E73.5Confident72.8Confident92 Ų9278.3 Ų78.343%0.4341%0.41SS..Hα-helixtrans-65.5-46.4172.2-69.1-170.2125.100112L393 K394 A399 K400 M401L393-E397 HydrophobicContact CD2-CG 4.05Å; L393-E397 PolarHBondContact O-N 3.44Å; K394-E397 PolarHBondContact O-N 2.94Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 2.99Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-M401 WeakPolarHBondContact O-CB 3.4Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 3.24Å
398E77.9Confident71.8Confident118 Ų11881.1 Ų81.155%0.55142%0.423SS*.Hα-helixtrans-61-41.4176.6-72.7176.6-172.900111.2K394 M401 A402K394-E398 WeakPolarHBondContact CE-OE1 3.11Å; K394-E398 WeakPolarHBondContact O-CG 3.24Å; K394-E398 PolarHBondContact O-N 3.48Å; E398-M401 PolarHBondContact O-N 3.08Å; E398-A402 WeakPolarHBondContact O-CB 3.4Å; E398-A402 PolarHBondContact O-N 2.98Å
399A76.1Confident70.5Confident46 Ų4681.6 Ų81.638%0.3844%0.435SS..Hα-helixtrans-64.5-42.2173.300000112.9G395 E397 M401 A402 L403G395-A399 WeakPolarHBondContact O-CB 3.48Å; G395-A399 PolarHBondContact O-N 2.96Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 2.99Å; A399-M401 VanDerWaalsContact C-N 3.35Å; A399-A402 PolarHBondContact O-N 3.41Å; A399-L403 WeakPolarHBondContact O-CG 3.31Å; A399-L403 PolarHBondContact O-N 3.32Å
400K75.1Confident69.2Low52 Ų5287.1 Ų87.123%0.22646%0.46CS..Hα-helixtrans-62.6-40.1175.4175.1172.7170.3172.70111.8A396 E397 L403 L404 T425 I428A396-K400 VanDerWaalsContact O-CB 3.28Å; A396-K400 WeakPolarHBondContact O-CB 3.12Å; A396-K400 PolarHBondContact O-N 3.21Å; E397-K400 PolarHBondContact O-N 3.43Å; K400-L403 PolarHBondContact O-N 3.33Å; K400-L404 HydrophobicContact CG-CD1 4.33Å; K400-L404 WeakPolarHBondContact O-CG 3.33Å; K400-L404 PolarHBondContact O-N 2.91Å; K400-T425 PolarHBondContact NZ-OG1 2.86Å; K400-I428 HydrophobicContact CD-CD1 3.61Å
401M71.8Confident68Low120 Ų12091 Ų9159%0.59148%0.481SS*.Hα-helixtrans-67.8-39.6175.4-74.1-62.5-65.300112.5E397 E398 A399 L404 Q405E397-M401 WeakPolarHBondContact O-CB 3.4Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 3.24Å; E398-M401 PolarHBondContact O-N 3.08Å; A399-M401 VanDerWaalsContact C-N 3.35Å; M401-L404 PolarHBondContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; M401-Q405 PolarHBondContact O-N 3.26Å
402A74.6Confident66.3Low57 Ų5796 Ų9647%0.47149%0.491SS..Hα-helixtrans-62.7-42.9173.500000112.1E398 A399 L404 Q405 Q406E398-A402 WeakPolarHBondContact O-CB 3.4Å; E398-A402 PolarHBondContact O-N 2.98Å; A399-A402 PolarHBondContact O-N 3.41Å; A402-L404 VanDerWaalsContact C-N 3.34Å; A402-L404 PolarHBondContact O-N 2.8Å; A402-Q405 PolarHBondContact O-N 2.66Å; A402-Q406 WeakPolarHBondContact O-CB 3.32Å; A402-Q406 PolarHBondContact O-N 3.48Å
403L68.8Low65Low51 Ų5199.6 Ų99.627%0.26751%0.514SS..Hα-helixtrans-64-35.9174.8-73.7168.7000112.6A399 K400 Q406 S407 L424A399-L403 WeakPolarHBondContact O-CG 3.31Å; A399-L403 PolarHBondContact O-N 3.32Å; K400-L403 PolarHBondContact O-N 3.33Å; L403-Q406 PolarHBondContact O-N 3Å; L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.1Å; L403-L424 HydrophobicContact CD1-CD1 3.76Å
404L63.8Low64.1Low73 Ų73107.7 Ų107.738%0.38255%0.551SS.*Hα-helixtrans-65.2-45.3173.6-76.5164.2000112K400 M401 A402 Q406 S407 E408K400-L404 HydrophobicContact CG-CD1 4.33Å; K400-L404 WeakPolarHBondContact O-CG 3.33Å; K400-L404 PolarHBondContact O-N 2.91Å; M401-L404 PolarHBondContact O-N 3.12Å; M401-L404 HydrophobicContact SD-CD1 4.16Å; A402-L404 VanDerWaalsContact C-N 3.34Å; A402-L404 PolarHBondContact O-N 2.8Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.27Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.32Å; L404-S407 VanDerWaalsContact O-N 3.16Å; L404-E408 PolarHBondContact O-N 3.46Å
405Q65.4Low62.9Low132 Ų132109.8 Ų109.862%0.61756%0.563SS**Hα-helixtrans-63.5-36.1173.1-82.6-169.3-26.500112.7M401 A402 S407 E408 N409M401-Q405 PolarHBondContact O-N 3.26Å; A402-Q405 PolarHBondContact O-N 2.66Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-E408 PolarHBondContact O-N 2.83Å; Q405-N409 PolarHBondContact O-ND2 3.03Å
406Q61.4Low61.7Low116 Ų116115.1 Ų115.154%0.54258%0.577SS.*Hα-helixtrans-65.1-38.7173.5-173.1174.2-14.400111.4A402 L403 L404 N409A402-Q406 WeakPolarHBondContact O-CB 3.32Å; A402-Q406 PolarHBondContact O-N 3.48Å; L403-Q406 PolarHBondContact O-N 3Å; L404-Q406 VanDerWaalsContact C-N 3.32Å; L404-Q406 PolarHBondContact O-N 3.27Å; Q406-N409 PolarHBondContact O-N 3.16Å
407S54.1Low60.9Low51 Ų51117.8 Ų117.836%0.35759%0.588SS.*Hα-helixtrans-64.3-40.5176.3-173.60000113L403 L404 Q405 N409 Q410L403-S407 WeakPolarHBondContact O-CB 3.38Å; L403-S407 PolarHBondContact O-N 3.1Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.32Å; L404-S407 VanDerWaalsContact O-N 3.16Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; S407-N409 PolarHBondContact O-N 3.21Å; S407-Q410 PolarHBondContact O-N 3.42Å
408E55.3Low60.2Low164 Ų164116.5 Ų116.577%0.76659%0.594SS**Hα-helixtrans-60.3-29.7176.4-72.9-168.3126.700112.5L404 Q405L404-E408 PolarHBondContact O-N 3.46Å; Q405-E408 PolarHBondContact O-N 2.83Å
409N55.4Low59.5Low137 Ų137115 Ų11573%0.73359%0.592SS**THydrogen-bonded Turntrans-85.3-4.6-178.7-75.2-80.5000114.4Q405 Q406 S407Q405-N409 PolarHBondContact O-ND2 3.03Å; Q406-N409 PolarHBondContact O-N 3.16Å; S407-N409 PolarHBondContact O-N 3.21Å
410Q48.9Very low58.9Low142 Ų142116.9 Ų116.966%0.66459%0.593SS**  trans-136.563.8-172.8-68.3-164-20.900115.3S407 K412S407-Q410 PolarHBondContact O-N 3.42Å; Q410-K412 PolarHBondContact O-N 3.06Å
411M48.3Very low58.3Low181 Ų181116.4 Ų116.489%0.89259%0.593SS**  trans-71.288.4165.3-84.4-141.5-70.200112.8
412K44.1Very low58.1Low193 Ų193113.5 Ų113.584%0.83959%0.588SS**SBendtrans173.478.6138.9-95.4162.4-176.7176.70114.1Q410Q410-K412 PolarHBondContact O-N 3.06Å
413N47.8Very low58Low165 Ų165117.3 Ų117.388%0.88260%0.596SS**  177.4151.9126.4-90-10.7000109.3
414Q53.3Low58Low195 Ų195117 Ų11791%0.91159%0.594SS**  trans-103.9-179.8-169.4-78.4-173.5-80.100114.1H416Q414-H416 PolarHBondContact O-N 3.36Å
415E53.2Low58.4Low165 Ų165116.6 Ų116.677%0.77160%0.595SS**SBendtrans89.7-65.2164-150.1152.9-128.300115.4L417 A418E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.4Å; E415-A418 WeakPolarHBondContact O-CB 3.17Å; E415-A418 PolarHBondContact O-N 2.9Å
416H55.1Low58.8Low150 Ų150113.5 Ų113.569%0.69459%0.588SS**Hα-helixtrans-59.5-37.6-172.7-140.7-59.1000114.1Q414 A418 T419 E420Q414-H416 PolarHBondContact O-N 3.36Å; H416-A418 VanDerWaalsContact C-N 3.32Å; H416-A418 PolarHBondContact O-N 3.36Å; H416-T419 PolarHBondContact O-N 3.21Å; H416-E420 PolarHBondContact O-N 2.9Å
417L54.7Low59.5Low73 Ų73113.8 Ų113.838%0.38259%0.588SS.*Hα-helixtrans-72.3-24.2-179.3-148.877.3000113.1E415 L421E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.4Å; L417-L421 WeakPolarHBondContact O-CB 3.14Å; L417-L421 WeakPolarHBondContact O-CG 3.38Å; L417-L421 PolarHBondContact O-N 3.08Å
418A58.5Low60.5Low66 Ų66111.9 Ų111.955%0.54557%0.573SS.*Hα-helixtrans-73.4-34.5177.900000111.2E415 H416 A422E415-A418 WeakPolarHBondContact O-CB 3.17Å; E415-A418 PolarHBondContact O-N 2.9Å; H416-A418 VanDerWaalsContact C-N 3.32Å; H416-A418 PolarHBondContact O-N 3.36Å; A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.97Å
419T63.9Low61.3Low86 Ų86106.8 Ų106.853%0.52856%0.556SS.*Hα-helixtrans-64.9-48173.5-47.90000111H416 L421 A422 E423H416-T419 PolarHBondContact O-N 3.21Å; T419-L421 PolarHBondContact O-N 3.26Å; T419-A422 PolarHBondContact O-N 3.3Å; T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 PolarHBondContact O-N 2.99Å
420E64.1Low62.4Low85 Ų85105.7 Ų105.740%0.39755%0.549SS..Hα-helixtrans-63.7-41.1178.2-68.1179.7163.300112.4H416 A422 E423 L424H416-E420 PolarHBondContact O-N 2.9Å; E420-A422 VanDerWaalsContact C-N 3.35Å; E420-A422 PolarHBondContact O-N 3.28Å; E420-E423 PolarHBondContact O-N 3.15Å; E420-L424 WeakPolarHBondContact O-CB 3.45Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.37Å; E420-L424 PolarHBondContact O-N 2.71Å
421L61.5Low63.5Low43 Ų43100.2 Ų100.223%0.22552%0.524CS..Hα-helixtrans-67.1-33.5175.3-75.5171000112.9L417 T419 T425L417-L421 WeakPolarHBondContact O-CB 3.14Å; L417-L421 WeakPolarHBondContact O-CG 3.38Å; L417-L421 PolarHBondContact O-N 3.08Å; T419-L421 PolarHBondContact O-N 3.26Å; L421-T425 VanDerWaalsContact O-CB 3.23Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 PolarHBondContact O-N 2.95Å; L421-T425 PolarHBondContact O-OG1 2.78Å
422A67.9Low64.5Low59 Ų5996.4 Ų96.449%0.48850%0.504SS..Hα-helixtrans-71.1-42173.500000111.8A418 T419 E420 T425 S426A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.97Å; T419-A422 PolarHBondContact O-N 3.3Å; E420-A422 VanDerWaalsContact C-N 3.35Å; E420-A422 PolarHBondContact O-N 3.28Å; A422-T425 PolarHBondContact O-N 3.37Å; A422-S426 WeakPolarHBondContact O-CB 3.36Å; A422-S426 PolarHBondContact O-N 2.74Å
423E72.3Confident65.9Low137 Ų13792.3 Ų92.364%0.6449%0.492SS*.Hα-helixtrans-65.9-45177.3-173.3169.3-157.200111.5T419 E420 T425 S426 K427T419-E423 WeakPolarHBondContact O-CB 3.35Å; T419-E423 PolarHBondContact O-N 2.99Å; E420-E423 PolarHBondContact O-N 3.15Å; E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.15Å; E423-S426 PolarHBondContact O-N 3.07Å; E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 PolarHBondContact O-N 2.73Å
424L69.4Low67.1Low43 Ų4386.5 Ų86.523%0.22547%0.466CS..Hα-helixtrans-61.7-39.1172-74.2172.3000112.3L403 E420 K427 I428L403-L424 HydrophobicContact CD1-CD1 3.76Å; E420-L424 WeakPolarHBondContact O-CB 3.45Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.37Å; E420-L424 PolarHBondContact O-N 2.71Å; L424-K427 PolarHBondContact O-N 2.98Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.79Å
425T72.2Confident68Low65 Ų6579.6 Ų79.640%0.39943%0.433SS..Hα-helixtrans-71.9-36.7178.2-59.40000111.9K400 L421 A422 E423 K427 I428 S429K400-T425 PolarHBondContact NZ-OG1 2.86Å; L421-T425 VanDerWaalsContact O-CB 3.23Å; L421-T425 WeakPolarHBondContact O-CB 3.27Å; L421-T425 PolarHBondContact O-N 2.95Å; L421-T425 PolarHBondContact O-OG1 2.78Å; A422-T425 PolarHBondContact O-N 3.37Å; E423-T425 VanDerWaalsContact C-N 3.33Å; E423-T425 PolarHBondContact O-N 3.15Å; T425-K427 VanDerWaalsContact C-N 3.33Å; T425-I428 PolarHBondContact O-N 2.8Å; T425-S429 PolarHBondContact O-N 3.4Å
426S74.3Confident68.8Low67 Ų6777.3 Ų77.347%0.46942%0.421SS..Hα-helixtrans-65.4-37170.2-170.40000111.7A422 E423 L430A422-S426 WeakPolarHBondContact O-CB 3.36Å; A422-S426 PolarHBondContact O-N 2.74Å; E423-S426 PolarHBondContact O-N 3.07Å; S426-L430 WeakPolarHBondContact O-CB 3.13Å; S426-L430 VanDerWaalsContact O-CG 3.26Å; S426-L430 WeakPolarHBondContact O-CG 3.32Å; S426-L430 PolarHBondContact O-N 3.32Å
427K75.6Confident69.7Low123 Ų12376.5 Ų76.554%0.53542%0.415SS..Hα-helixtrans-68.1-40.1176.7-173176.7179.2-177.40111.8E423 L424 T425 L430 L431E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 PolarHBondContact O-N 2.73Å; L424-K427 PolarHBondContact O-N 2.98Å; T425-K427 VanDerWaalsContact C-N 3.33Å; K427-L430 PolarHBondContact O-N 3.35Å; K427-L431 HydrophobicContact CG-CD1 4.2Å; K427-L431 WeakPolarHBondContact O-CB 3.26Å; K427-L431 VanDerWaalsContact O-CG 3.27Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.94Å
428I73.7Confident70.5Confident11 Ų1175.9 Ų75.96%0.05641%0.41CS..Hα-helixtrans-61.3-51.7173.1-71.3163000110K400 L424 T425 L430 L431 E432K400-I428 HydrophobicContact CD-CD1 3.61Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.4Å; L424-I428 PolarHBondContact O-N 2.79Å; T425-I428 PolarHBondContact O-N 2.8Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 3.28Å; I428-L431 CarbonylContact O-C 3.5Å; I428-L431 WeakPolarHBondContact O-CA 3.42Å; I428-L431 WeakPolarHBondContact O-CB 2.92Å; I428-L431 PolarHBondContact O-N 3.18Å; I428-E432 HydrophobicContact CG2-CG 4.18Å; I428-E432 WeakPolarHBondContact O-CG 3.24Å; I428-E432 PolarHBondContact O-N 3.01Å
429S73Confident70.8Confident56 Ų5677.7 Ų77.739%0.39241%0.407SS..Hα-helixtrans-57.5-39.8178.2171.30000113.1T425 E432 D433T425-S429 PolarHBondContact O-N 3.4Å; S429-E432 PolarHBondContact O-N 3.21Å; S429-D433 PolarHBondContact O-N 3.21Å
430L78.4Confident71.2Confident114 Ų11478.8 Ų78.860%0.59741%0.406SS*.Hα-helixtrans-68-31.6174.8-72.5168000113.1S426 K427 I428 A434S426-L430 WeakPolarHBondContact O-CB 3.13Å; S426-L430 VanDerWaalsContact O-CG 3.26Å; S426-L430 WeakPolarHBondContact O-CG 3.32Å; S426-L430 PolarHBondContact O-N 3.32Å; K427-L430 PolarHBondContact O-N 3.35Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 3.28Å; L430-A434 WeakPolarHBondContact O-CB 3.46Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.15Å
431L72.3Confident71.5Confident28 Ų2877.9 Ų77.915%0.14740%0.402CS..Hα-helixtrans-76.1-35174.1-72.2168.3000112.1L389 L393 K427 I428 A434 K435L389-L431 HydrophobicContact CD2-CD2 4.06Å; L393-L431 HydrophobicContact CD1-CB 4.17Å; K427-L431 HydrophobicContact CG-CD1 4.2Å; K427-L431 WeakPolarHBondContact O-CB 3.26Å; K427-L431 VanDerWaalsContact O-CG 3.27Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.94Å; I428-L431 CarbonylContact O-C 3.5Å; I428-L431 WeakPolarHBondContact O-CA 3.42Å; I428-L431 WeakPolarHBondContact O-CB 2.92Å; I428-L431 PolarHBondContact O-N 3.18Å; L431-A434 PolarHBondContact O-N 2.81Å; L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 PolarHBondContact O-N 3.12Å
432E68.9Low71.6Confident101 Ų10177.1 Ų77.147%0.47240%0.401SS..Hα-helixtrans-64.5-49.6174.3-71.1175.1129.700111.3L393 I428 S429 A434 K435 K436L393-E432 HydrophobicContact CD1-CG 3.97Å; I428-E432 HydrophobicContact CG2-CG 4.18Å; I428-E432 WeakPolarHBondContact O-CG 3.24Å; I428-E432 PolarHBondContact O-N 3.01Å; S429-E432 PolarHBondContact O-N 3.21Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 2.91Å; E432-K435 PolarHBondContact O-N 2.88Å; E432-K436 WeakPolarHBondContact O-CB 3.4Å; E432-K436 PolarHBondContact O-N 3.23Å
433D73.4Confident71.6Confident106 Ų10679.3 Ų79.357%0.56741%0.405SS*.Hα-helixtrans-63-38.1175.8-83.1-27.6000111.8S429 K437S429-D433 PolarHBondContact O-N 3.21Å; D433-K437 WeakPolarHBondContact O-CB 3.46Å; D433-K437 PolarHBondContact O-N 2.91Å; D433-K437 VanDerWaalsContact O-N 3.14Å
434A73.9Confident71.6Confident43 Ų4378.4 Ų78.436%0.35540%0.401SS..Hα-helixtrans-66.7-44.9175.300000112.4L430 L431 E432 K437 K438L430-A434 WeakPolarHBondContact O-CB 3.46Å; L430-A434 PolarHBondContact O-N 3.37Å; L430-A434 VanDerWaalsContact O-N 3.15Å; L431-A434 PolarHBondContact O-N 2.81Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 2.91Å; A434-K437 PolarHBondContact O-N 3.18Å; A434-K438 PolarHBondContact O-N 2.68Å
435K70.7Confident71.5Confident50 Ų5080.1 Ų80.122%0.21740%0.404CS..Hα-helixtrans-58.4-54.2175.6-178.2-171.7180-176.10110.2E390 L431 E432 K437 K438 E439E390-K435 IonicContact OE1-NZ 3.91Å; E390-K435 PolarHBondContact OE1-NZ 2.83Å; L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 PolarHBondContact O-N 3.12Å; E432-K435 PolarHBondContact O-N 2.88Å; K435-K437 VanDerWaalsContact C-N 3.29Å; K435-K437 PolarHBondContact O-N 3.09Å; K435-K438 PolarHBondContact O-N 2.73Å; K435-E439 WeakPolarHBondContact O-CB 3.21Å; K435-E439 PolarHBondContact O-N 3.31Å
436K71.5Confident70.9Confident118 Ų11881.7 Ų81.751%0.51341%0.407SS..Hα-helixtrans-55.4-44.9-177.4-179.3-178.4168.6-172.20111.6E432 K438 E439 E440E432-K436 WeakPolarHBondContact O-CB 3.4Å; E432-K436 PolarHBondContact O-N 3.23Å; K436-K438 VanDerWaalsContact C-N 3.33Å; K436-K438 PolarHBondContact O-N 3.24Å; K436-E439 PolarHBondContact O-N 3.12Å; K436-E440 WeakPolarHBondContact CE-OE1 3.4Å; K436-E440 IonicContact NZ-OE1 2.73Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.86Å
437K73.6Confident70.7Confident132 Ų13285.9 Ų85.957%0.57442%0.419SS*.Hα-helixtrans-63.3-37.1178.3-170177178.2-176.20112.8D433 A434 K435 E441D433-K437 WeakPolarHBondContact O-CB 3.46Å; D433-K437 PolarHBondContact O-N 2.91Å; D433-K437 VanDerWaalsContact O-N 3.14Å; A434-K437 PolarHBondContact O-N 3.18Å; K435-K437 VanDerWaalsContact C-N 3.29Å; K435-K437 PolarHBondContact O-N 3.09Å; K437-E441 WeakPolarHBondContact O-CG 3.48Å; K437-E441 PolarHBondContact O-N 2.77Å
438K72.2Confident70.4Confident61 Ų6183.7 Ų83.727%0.26541%0.41SS..Hα-helixtrans-72.1-32174.3-75.3-54.8-164.6177.60113.6A434 K435 K436 E441 A442A434-K438 PolarHBondContact O-N 2.68Å; K435-K438 PolarHBondContact O-N 2.73Å; K436-K438 VanDerWaalsContact C-N 3.33Å; K436-K438 PolarHBondContact O-N 3.24Å; K438-E441 VanDerWaalsContact CD-OE2 3.27Å; K438-E441 WeakPolarHBondContact CD-OE2 3.03Å; K438-E441 IonicContact NZ-OE2 2.59Å; K438-E441 PolarHBondContact NZ-OE2 3.25Å; K438-E441 PolarHBondContact O-N 2.73Å; K438-A442 WeakPolarHBondContact O-CB 3.27Å; K438-A442 PolarHBondContact O-N 3.16Å
439E64.7Low69.7Low104 Ų10485.2 Ų85.249%0.48642%0.424SS..Hα-helixtrans-70.6-35174.7-162.3163.6-165.500111.7K435 K436 N443K435-E439 WeakPolarHBondContact O-CB 3.21Å; K435-E439 PolarHBondContact O-N 3.31Å; K436-E439 PolarHBondContact O-N 3.12Å; E439-N443 PolarHBondContact O-N 3.45Å; E439-N443 PolarHBondContact O-ND2 3.37Å
440E71.4Confident69.1Low109 Ų10986.5 Ų86.551%0.50943%0.43SS..Hα-helixtrans-66.5-46.2169.2-72.1172.217800111.8K436 A442 N443 E444K436-E440 WeakPolarHBondContact CE-OE1 3.4Å; K436-E440 IonicContact NZ-OE1 2.73Å; K436-E440 WeakPolarHBondContact O-CG 3.13Å; K436-E440 PolarHBondContact O-N 2.86Å; E440-A442 VanDerWaalsContact C-N 3.34Å; E440-A442 PolarHBondContact O-N 3.05Å; E440-N443 PolarHBondContact O-N 3.47Å; E440-E444 PolarHBondContact O-N 3.28Å
441E70.4Confident68.6Low66 Ų6685.6 Ų85.631%0.30843%0.429SS..Hα-helixtrans-58.3-40.6174.4-75.9173-158.100112.5K437 K438 N443 E444 W445K437-E441 WeakPolarHBondContact O-CG 3.48Å; K437-E441 PolarHBondContact O-N 2.77Å; K438-E441 VanDerWaalsContact CD-OE2 3.27Å; K438-E441 WeakPolarHBondContact CD-OE2 3.03Å; K438-E441 IonicContact NZ-OE2 2.59Å; K438-E441 PolarHBondContact NZ-OE2 3.25Å; K438-E441 PolarHBondContact O-N 2.73Å; E441-N443 PolarHBondContact O-N 2.83Å; E441-E444 PolarHBondContact O-N 2.89Å; E441-W445 PolarHBondContact O-N 2.81Å
442A63.2Low68.2Low26 Ų2686.1 Ų86.122%0.21543%0.434CS..Hα-helixtrans-65-37.1179.400000113.4K438 E440 W445 Q446K438-A442 WeakPolarHBondContact O-CB 3.27Å; K438-A442 PolarHBondContact O-N 3.16Å; E440-A442 VanDerWaalsContact C-N 3.34Å; E440-A442 PolarHBondContact O-N 3.05Å; A442-W445 PolarHBondContact O-N 2.75Å; A442-Q446 PolarHBondContact O-N 3.09Å; A442-Q446 VanDerWaalsContact O-N 3.15Å
443N69.4Low67.2Low105 Ų10588.3 Ų88.356%0.56144%0.444SS*.Hα-helixtrans-69.8-34.7178.5-81.6-72.7000112.5E439 E440 E441 W445 Q446 Q447E439-N443 PolarHBondContact O-N 3.45Å; E439-N443 PolarHBondContact O-ND2 3.37Å; E440-N443 PolarHBondContact O-N 3.47Å; E441-N443 PolarHBondContact O-N 2.83Å; N443-W445 VanDerWaalsContact C-N 3.32Å; N443-W445 PolarHBondContact O-N 3.24Å; N443-Q446 WeakPolarHBondContact O-CB 3.28Å; N443-Q446 PolarHBondContact O-N 3.43Å; N443-Q447 PolarHBondContact O-N 3.18Å
444E70.4Confident66.5Low119 Ų11990.5 Ų90.556%0.55645%0.45SS*.Hα-helixtrans-60.7-39.6172.3-99.9-154.1-15600112.4E440 E441 K448E440-E444 PolarHBondContact O-N 3.28Å; E441-E444 PolarHBondContact O-N 2.89Å; E444-K448 VanDerWaalsContact O-CD 3.29Å; E444-K448 WeakPolarHBondContact O-CD 3.49Å; E444-K448 WeakPolarHBondContact O-CE 3.4Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 2.99Å; E444-K448 IonicContact OE2-NZ 2.66Å; E444-K448 PolarHBondContact OE2-NZ 2.78Å
445W69Low65.4Low78 Ų7893.4 Ų93.430%0.29546%0.46SS..Hα-helixtrans-70.8-35.8177.4-64.2124000112.5L375 R379 E441 A442 N443 Q447 K448 A449L375-W445 HydrophobicContact CD1-CE3 4.49Å; L375-W445 HydrophobicContact CD2-CD2 4.46Å; L375-W445 HydrophobicContact CD2-CE3 3.55Å; L375-W445 HydrophobicContact CD2-CH2 4.2Å; L375-W445 HydrophobicContact CD2-CZ3 3.41Å; L375-W445 VanDerWaalsContact CD2-CZ3 3.41Å; R379-W445 HydrophobicContact CB-CB 4.44Å; R379-W445 HydrophobicContact CG-CB 4.36Å; E441-W445 PolarHBondContact O-N 2.81Å; A442-W445 PolarHBondContact O-N 2.75Å; N443-W445 VanDerWaalsContact C-N 3.32Å; N443-W445 PolarHBondContact O-N 3.24Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; W445-Q447 PolarHBondContact O-N 2.68Å; W445-K448 HydrophobicContact CE3-CD 3.56Å; W445-K448 HydrophobicContact CZ3-CD 3.72Å; W445-K448 PolarHBondContact O-N 3.42Å; W445-A449 PolarHBondContact O-N 2.95Å
446Q59.5Low64.1Low99 Ų9994.8 Ų94.846%0.46347%0.47SS..Hα-helixtrans-58.3-42.6175.8-166.496-3.500112A442 N443 T450A442-Q446 PolarHBondContact O-N 3.09Å; A442-Q446 VanDerWaalsContact O-N 3.15Å; N443-Q446 WeakPolarHBondContact O-CB 3.28Å; N443-Q446 PolarHBondContact O-N 3.43Å; Q446-T450 PolarHBondContact O-OG1 2.94Å
447Q69.3Low62.9Low155 Ų15597 Ų9772%0.72448%0.482SS*.Hα-helixtrans-68.4-35.1178.4-86.6-172.4-17.700113.7N443 W445 A449 T451N443-Q447 PolarHBondContact O-N 3.18Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; W445-Q447 PolarHBondContact O-N 2.68Å; Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 3.4Å; Q447-T451 PolarHBondContact O-OG1 2.83Å
448K70.4Confident61.8Low76 Ų7699.3 Ų99.333%0.3349%0.492SS..Hα-helixtrans-71.9-25.4-177.3-66.6160.7-166.6165.70112.8L375 E444 W445L375-K448 HydrophobicContact CD1-CB 4.36Å; E444-K448 VanDerWaalsContact O-CD 3.29Å; E444-K448 WeakPolarHBondContact O-CD 3.49Å; E444-K448 WeakPolarHBondContact O-CE 3.4Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 2.99Å; E444-K448 IonicContact OE2-NZ 2.66Å; E444-K448 PolarHBondContact OE2-NZ 2.78Å; W445-K448 HydrophobicContact CE3-CD 3.56Å; W445-K448 HydrophobicContact CZ3-CD 3.72Å; W445-K448 PolarHBondContact O-N 3.42Å
449A57.3Low60.5Low44 Ų44101.8 Ų101.836%0.36451%0.512SS..Hα-helixtrans-72.1-44.7179.300000112.8W445 Q447 T451 V452W445-A449 PolarHBondContact O-N 2.95Å; Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 3.4Å; A449-T451 VanDerWaalsContact C-N 3.3Å; A449-T451 PolarHBondContact O-N 3.24Å; A449-V452 PolarHBondContact O-N 3.48Å
450T60.3Low59.4Low83 Ų83105.5 Ų105.551%0.50953%0.527SS..Hα-helixtrans-61.7-35.8-173.6-41.80000112.9Q446 V452 Q453Q446-T450 PolarHBondContact O-OG1 2.94Å; T450-V452 VanDerWaalsContact C-N 3.26Å; T450-V452 PolarHBondContact O-N 3.23Å; T450-Q453 PolarHBondContact O-N 2.88Å
451T68.1Low57.8Low95 Ų95109.1 Ų109.158%0.58354%0.543SS*.Hα-helixtrans-66-27.4-175-26.20000113.2Q447 A449 Q453Q447-T451 PolarHBondContact O-OG1 2.83Å; A449-T451 VanDerWaalsContact C-N 3.3Å; A449-T451 PolarHBondContact O-N 3.24Å; T451-Q453 VanDerWaalsContact C-N 3.31Å
452V64.5Low56.2Low39 Ų39115.3 Ų115.324%0.23657%0.573CS.*Hα-helixtrans-76.1-22-178.3-179.20000111.9Q368 A372 A449 T450Q368-V452 HydrophobicContact CB-CG1 3.92Å; A372-V452 HydrophobicContact CB-CG1 4.4Å; A449-V452 PolarHBondContact O-N 3.48Å; T450-V452 VanDerWaalsContact C-N 3.26Å; T450-V452 PolarHBondContact O-N 3.23Å
453Q48.6Very low54.7Low147 Ų147122.2 Ų122.269%0.68761%0.605SS**Hα-helixtrans-82.5-24.4-169.4-162.7168.54.600113.7T450 T451T450-Q453 PolarHBondContact O-N 2.88Å; T451-Q453 VanDerWaalsContact C-N 3.31Å
454E57.3Low52.9Low151 Ų151126.5 Ų126.571%0.70662%0.619SS**SBendtrans-80.3-24.2-174.3-61.2-170.9147.400114L456E454-L456 VanDerWaalsContact C-N 3.35Å
455D52.7Low51.2Low105 Ų105127.2 Ų127.256%0.56163%0.626SS**THydrogen-bonded Turntrans-78.9-15.6-178.8-80.7-34.4000113.8
456L42.5Very low49.6Very low79 Ų79133.2 Ų133.241%0.41465%0.654SS.*THydrogen-bonded Turntrans-70.9-29.2-174.8173.663.8000114.4L365 E454L365-L456 HydrophobicContact CD1-CD1 3.92Å; L365-L456 HydrophobicContact CD2-CD1 3.77Å; L365-L456 HydrophobicContact CG-CD1 4.32Å; E454-L456 VanDerWaalsContact C-N 3.35Å
457E46.1Very low48.6Very low165 Ų165135 Ų13577%0.77167%0.672SS**SBendtrans-83.9-25.6-168.3-62.9-156129.600114.3T459E457-T459 VanDerWaalsContact C-N 3.3Å; E457-T459 PolarHBondContact O-N 3.24Å
458K51.7Low47.1Very low179 Ų179136.5 Ų136.578%0.77868%0.681SS**THydrogen-bonded Turntrans-65.4-24.8-173.2-86.7172.7-177.7151.50115.1K460K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.38Å
459T44.6Very low46Very low114 Ų114137.3 Ų137.370%0.69970%0.702SS**THydrogen-bonded Turntrans-88.512.3-162.15.30000115.1E457E457-T459 VanDerWaalsContact C-N 3.3Å; E457-T459 PolarHBondContact O-N 3.24Å
460K40.4Very low44.8Very low182 Ų182140.6 Ų140.679%0.79173%0.729SS**SBendtrans-108.4-9.1-160.7-110172.5-176.9164.40118.2K458K458-K460 VanDerWaalsContact C-N 3.34Å; K458-K460 PolarHBondContact O-N 3.38Å
461E39.3Very low43.6Very low184 Ų184145.1 Ų145.186%0.8674%0.744SS**  trans-109.6-11.6-153.5-141.8172.5-175.800117.9L463E461-L463 PolarHBondContact O-N 3.5Å
462E36Very low42Very low197 Ų197145.4 Ų145.492%0.92175%0.745SS**  trans-93.516.6-156-62-162.3119.800119.8
463L32.4Very low40.8Very low171 Ų171151 Ų15190%0.89577%0.769SS**  trans-125.787.6-164.2-95.7161.2000118.2E461E461-L463 PolarHBondContact O-N 3.5Å
464K31.2Very low40Very low195 Ų195151.5 Ų151.585%0.84877%0.771SS**  trans-173.4139.8161.6-119.5171.6-179172.10120.6
465N34.1Very low39.4Very low133 Ų133149.4 Ų149.471%0.71177%0.771SS**  trans118.2151.5140-60.7-32.8000124.3
466K35.7Very low38.6Very low204 Ų204151.8 Ų151.889%0.88778%0.783SS**  trans108.3168167.7-52.8148.6-168169.10116.3
467V39.2Very low38.2Very low138 Ų138154.1 Ų154.184%0.83680%0.795SS**  cis-155.5168.810.6-144.40000113.1
468M38Very low37.7Very low185 Ų185150.2 Ų150.291%0.91179%0.792SS**  trans-161.1174.4177.2-66.5-16684.200113
469A45.6Very low36.8Very low94 Ų94149 Ų14978%0.77779%0.789SS**  cis-169-178.3-17.400000112.3
470A32.7Very low36.2Very low112 Ų112151.6 Ų151.693%0.92680%0.799SS**  trans-156.1-167.5-171.400000120.9
471H35.5Very low36.2Very low178 Ų178151.9 Ų151.982%0.82480%0.803SS**  trans-148.3-172.5-165.9-160.224.3000114.1
472V34.7Very low35.9Very low101 Ų101151.6 Ų151.661%0.61280%0.801SS**  cis-162.7-160.822.9-146.90000110.7
473Q38.8Very low35.9Very low156 Ų156149 Ų14973%0.72979%0.793SS**  cis-170.2175.1-11.5-153.1156.7-111.200115.1
474E31.3Very low36.5Very low159 Ų159149.2 Ų149.274%0.74379%0.79SS**  trans133.8-141.9137-103.9157.6-86.800129.6
475P44.5Very low36.7Very low107 Ų107148 Ų14870%0.69579%0.792SS**  -137.7-162.8-124.741.2-20.8000124
476L36.2Very low36.9Very low155 Ų155149.1 Ų149.181%0.81280%0.798SS**  trans98.2163.4165-48.8-172.9000121
477N33.3Very low37.2Very low127 Ų127148.3 Ų148.368%0.67980%0.798SS**  cis-170.4-173.1-22.1-108.5102.6000109.7E479N477-E479 PolarHBondContact ND2-OE1 3.43Å
478A35.9Very low37.4Very low84 Ų84147 Ų14769%0.69480%0.795SS**  cis-166.7-161.4-6.700000113.6
479E32.8Very low37.7Very low154 Ų154144.3 Ų144.372%0.7279%0.794SS**  -158.5145.3-86.6-78.4141.8-119.400118.3N477N477-E479 PolarHBondContact ND2-OE1 3.43Å
480N32.8Very low37.5Very low168 Ų168144.9 Ų144.990%0.89880%0.799SS**  trans74.5174.2147.4-81.114.5000132
481E40.1Very low37.8Very low188 Ų188149.1 Ų149.188%0.87980%0.799SS**  trans-127.3178.3-163.4-44.4174.2128.700117.6
482H33.5Very low38.9Very low178 Ų178144.9 Ų144.982%0.82480%0.796SS**  trans-176-162.8138.8-124.4-35.3000120.7
483D36.3Very low39.1Very low141 Ų141144.6 Ų144.675%0.75480%0.798SS**  trans-140.4-171.3-140.4-165.916.9000120.3
484E43.4Very low39.5Very low177 Ų177138 Ų13883%0.82777%0.77SS**  trans-90.1177.5-165.4-59.9-171.3160.600122
485N35.8Very low40.6Very low169 Ų169137.8 Ų137.890%0.90477%0.769SS**  trans-171.4174.1156.5-132.1-37.6000119.5
486D39.4Very low41.8Very low156 Ų156133.7 Ų133.783%0.83474%0.74SS**  trans-145.2-173.5-174.2-164.313000117.6
487E42.5Very low42.7Very low187 Ų187130.5 Ų130.587%0.87473%0.727SS**  trans-113.5-162.1-158.9-100-160.5171.500121.8
488S43Very low43.4Very low111 Ų111127.6 Ų127.678%0.77672%0.717SS**  trans-161.3174.2-16271.90000120.1
489S43.2Very low44Very low129 Ų129124.7 Ų124.790%0.90269%0.693SS**  trans168.9-177.3143.655.90000116.9
490A42Very low44.5Very low105 Ų105121.5 Ų121.587%0.86869%0.693SS**  trans-158.2170.9-159.200000120
491E39.5Very low45.2Very low201 Ų201119.3 Ų119.394%0.93969%0.686SS**  trans-132.8179.5162.9-151.7-170-142.900110.8
492A57.8Low46Very low90 Ų90114.8 Ų114.874%0.74466%0.661SS**  trans-141.662.6-161.600000118.2
493S38.5Very low47.2Very low95 Ų95115.7 Ų115.766%0.66466%0.663SS**  trans-91.4139.9145.8-178.60000109.2E495S493-E495 VanDerWaalsContact C-N 3.29Å; S493-E495 PolarHBondContact O-N 3.07Å; S493-E495 VanDerWaalsContact O-N 3.17Å
494A47.9Very low48.8Very low16 Ų16112.4 Ų112.413%0.13265%0.645CS.*  trans-87.266.1171.800000110.8N247 M285 F496N247-A494 PolarHBondContact ND2-O 2.91Å; M285-A494 HydrophobicContact CE-CB 4.1Å; M285-A494 HydrophobicContact CG-CB 3.9Å; M285-A494 HydrophobicContact SD-CB 4.06Å; A494-F496 HydrophobicContact CB-CD1 4.41Å; A494-F496 HydrophobicContact CB-CE1 4.01Å; A494-F496 PolarHBondContact O-N 2.7Å
495E55Low50.4Low156 Ų156109.9 Ų109.973%0.72963%0.628SS**BIsolated β-bridgetrans-74.2116.3152.6-69.6-147.9145.300107.7S493 T497S493-E495 VanDerWaalsContact C-N 3.29Å; S493-E495 PolarHBondContact O-N 3.07Å; S493-E495 VanDerWaalsContact O-N 3.17Å; E495-T497 PolarHBondContact O-N 2.69Å
496F68.7Low52.4Low20 Ų20105.2 Ų105.29%0.08861%0.609CS.*  trans-78.8122175.7-69-21.1000109I245 R246 I248 M285 H288 A494 S498I245-F496 HydrophobicContact CB-CD2 4.43Å; I245-F496 HydrophobicContact CG2-CD2 3.89Å; I245-F496 HydrophobicContact CG2-CE2 3.88Å; R246-F496 WeakPolarHBondContact O-CB 3.33Å; R246-F496 PolarHBondContact O-N 3.31Å; I248-F496 HydrophobicContact CD1-CE2 3.63Å; I248-F496 HydrophobicContact CD1-CZ 3.91Å; I248-F496 HydrophobicContact CG1-CE2 3.8Å; I248-F496 HydrophobicContact CG1-CZ 4.2Å; M285-F496 HydrophobicContact CG-CE1 4.45Å; H288-F496 HydrophobicContact CB-CD2 4.37Å; H288-F496 HydrophobicContact CB-CE1 4.02Å; H288-F496 HydrophobicContact CB-CE2 3.81Å; H288-F496 HydrophobicContact CB-CZ 3.61Å; H288-F496 AromaticContact CD2-CD2 3.33Å; H288-F496 WeakPolarHBondContact CD2-CD2 3.47Å; H288-F496 AromaticContact CD2-CE2 3.56Å; H288-F496 AromaticContact CD2-CG 3.79Å; H288-F496 WeakPolarHBondContact CE1-CB 3.43Å; H288-F496 AromaticContact CE1-CD1 3.7Å; H288-F496 AromaticContact CE1-CD2 3.7Å; H288-F496 AromaticContact CE1-CG 3.3Å; H288-F496 WeakPolarHBondContact CE1-CG 3.04Å; H288-F496 AromaticContact CG-CD1 3.88Å; H288-F496 AromaticContact CG-CD2 3.55Å; H288-F496 AromaticContact CG-CE1 3.81Å; H288-F496 AromaticContact CG-CE2 3.49Å; H288-F496 VanDerWaalsContact CG-CE2 3.49Å; H288-F496 AromaticContact CG-CG 3.75Å; H288-F496 AromaticContact CG-CZ 3.63Å; H288-F496 AromaticContact ND1-CD1 3.4Å; H288-F496 WeakPolarHBondContact ND1-CD1 3.36Å; H288-F496 AromaticContact ND1-CD2 3.76Å; H288-F496 AromaticContact ND1-CE1 3.69Å; H288-F496 AromaticContact ND1-CG 3.44Å; H288-F496 WeakPolarHBondContact ND1-CG 3.31Å; H288-F496 AromaticContact NE2-CD2 3.44Å; H288-F496 WeakPolarHBondContact NE2-CD2 3.43Å; H288-F496 AromaticContact NE2-CG 3.52Å; A494-F496 HydrophobicContact CB-CD1 4.41Å; A494-F496 HydrophobicContact CB-CE1 4.01Å; A494-F496 PolarHBondContact O-N 2.7Å; F496-S498 PolarHBondContact O-N 2.9Å
497T55.8Low54.3Low88 Ų8898.6 Ų98.654%0.5457%0.573SS.*  trans-50.4110.7177.349.80000110M292 E495 A499M292-T497 WeakPolarHBondContact CE-O 3Å; E495-T497 PolarHBondContact O-N 2.69Å; T497-A499 PolarHBondContact O-N 3.43Å
498S48.4Very low56.3Low67 Ų6793.1 Ų93.147%0.46955%0.547SS..  trans-58.4127.2-165.656.20000111.8F496 A500F496-S498 PolarHBondContact O-N 2.9Å; S498-A500 PolarHBondContact O-N 2.98Å
499A48.2Very low58.4Low22 Ų2295.8 Ų95.818%0.18255%0.547CS..  trans-70.620.9-176.500000115.3I260 M292 T497 T501 Y502I260-A499 HydrophobicContact CD1-CB 4.32Å; M292-A499 HydrophobicContact CE-CB 4.45Å; T497-A499 PolarHBondContact O-N 3.43Å; A499-T501 PolarHBondContact O-N 2.86Å; A499-Y502 HydrophobicContact CB-CD2 4.31Å; A499-Y502 PolarHBondContact O-N 2.99Å
500A43.5Very low60.7Low87 Ų8790.9 Ų90.972%0.71951%0.509SS*.THydrogen-bonded Turntrans-63-9.5-173.100000115.2S498S498-A500 PolarHBondContact O-N 2.98Å
501T47Very low63.2Low123 Ų12390.2 Ų90.276%0.75549%0.489SS*.THydrogen-bonded Turntrans-118.3-10.5-179.1-29.50000113.3A499A499-T501 PolarHBondContact O-N 2.86Å
502Y56.5Low65.9Low92 Ų9281.2 Ų81.236%0.36145%0.448SS..  trans-93.2120-174.4-58.1-61.4000110.7M292 K296 A499M292-Y502 HydrophobicContact CE-CD2 3.69Å; M292-Y502 HydrophobicContact CE-CE2 3.51Å; K296-Y502 HydrophobicContact CG-CE1 4.49Å; A499-Y502 HydrophobicContact CB-CD2 4.31Å; A499-Y502 PolarHBondContact O-N 2.99Å
503K58Low67.6Low198 Ų19878 Ų7886%0.86142%0.418SS*.  trans-96.8-12.7-178-67.3-175.8177.7-179.50114.1R505K503-R505 PolarHBondContact O-N 2.86Å
504D70Confident70.2Confident72 Ų7274.8 Ų74.839%0.38540%0.397SS..  trans-70.5116.6179-178.310.3000110.4R295 S506R295-D504 HydrophobicContact CG-CB 4.2Å; D504-S506 VanDerWaalsContact OD1-CB 3.28Å; D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.35Å; D504-S506 PolarHBondContact OD1-OG 3.47Å
505R78Confident72.3Confident123 Ų12377.3 Ų77.346%0.46441%0.406SS..  trans-131.929.4177.6-71.5-179.1169.6-123.4-0.7110.5K503 E507 E508K503-R505 PolarHBondContact O-N 2.86Å; R505-E507 VanDerWaalsContact CA-OE2 3.28Å; R505-E507 WeakPolarHBondContact CA-OE2 3.39Å; R505-E507 PolarHBondContact O-N 3.41Å; R505-E508 HydrophobicContact CB-CG 4.22Å; R505-E508 IonicContact CZ-OE1 3.51Å; R505-E508 IonicContact NE-OE1 3.33Å; R505-E508 IonicContact NH1-OE1 3.46Å; R505-E508 PolarHBondContact NH1-OE1 3.11Å; R505-E508 IonicContact NH1-OE2 3.66Å; R505-E508 WeakPolarHBondContact O-CB 3.45Å; R505-E508 PolarHBondContact O-N 2.72Å
506S77.6Confident74.1Confident72 Ų7274.4 Ų74.450%0.50339%0.391SS..THydrogen-bonded Turntrans-55.2-19.3-178.947.60000113.9D504 E508D504-S506 VanDerWaalsContact OD1-CB 3.28Å; D504-S506 WeakPolarHBondContact OD1-CB 3.39Å; D504-S506 PolarHBondContact OD1-N 3.35Å; D504-S506 PolarHBondContact OD1-OG 3.47Å; S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.91Å
507E80Confident75.3Confident16 Ų1675.8 Ų75.88%0.07540%0.399CS..THydrogen-bonded Turntrans-67.3-24.7171.179.3-85.8-152.500114.1L223 Y291 R295 R505L223-E507 HydrophobicContact CD2-CB 3.98Å; Y291-E507 WeakPolarHBondContact CE2-OE1 3.45Å; Y291-E507 PolarHBondContact OH-OE1 2.78Å; R295-E507 IonicContact CZ-OE2 3.9Å; R295-E507 IonicContact NE-OE1 2.81Å; R295-E507 IonicContact NE-OE2 3.97Å; R295-E507 IonicContact NH2-OE1 2.76Å; R295-E507 IonicContact NH2-OE2 3.52Å; R295-E507 PolarHBondContact NH2-OE2 3.49Å; R505-E507 VanDerWaalsContact CA-OE2 3.28Å; R505-E507 WeakPolarHBondContact CA-OE2 3.39Å; R505-E507 PolarHBondContact O-N 3.41Å
508E83.9Confident77.1Confident72 Ų7277.6 Ų77.634%0.33640%0.402SS..THydrogen-bonded Turntrans-75.8-30.9-179.2-64.3-177.6-17800111.9R505 S506 R562R505-E508 HydrophobicContact CB-CG 4.22Å; R505-E508 IonicContact CZ-OE1 3.51Å; R505-E508 IonicContact NE-OE1 3.33Å; R505-E508 IonicContact NH1-OE1 3.46Å; R505-E508 PolarHBondContact NH1-OE1 3.11Å; R505-E508 IonicContact NH1-OE2 3.66Å; R505-E508 WeakPolarHBondContact O-CB 3.45Å; R505-E508 PolarHBondContact O-N 2.72Å; S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.91Å; E508-R562 VanDerWaalsContact O-CD 3.28Å; E508-R562 WeakPolarHBondContact O-CD 3.35Å; E508-R562 WeakPolarHBondContact O-CG 3.19Å; E508-R562 PolarHBondContact O-NH1 2.6Å
509E86.9Confident79.2Confident167 Ų16780 Ų8078%0.7840%0.401SS*.SBendtrans-87.7-3.5-179.9-61.9-172162.500113.3
510R92.1Very high81.3Confident26 Ų2679.4 Ų79.410%0.09839%0.394CS..  trans-62.7139.2-169-163.4165.2-179.9-149.3-3.2113.9E87 D88 Y558 R562E87-R510 PolarHBondContact O-NH1 3.31Å; E87-R510 PolarHBondContact O-NH2 2.97Å; D88-R510 IonicContact OD2-CZ 2.73Å; D88-R510 IonicContact OD2-NE 3.69Å; D88-R510 PolarHBondContact OD2-NE 2.97Å; D88-R510 IonicContact OD2-NH2 3.54Å; D88-R510 PolarHBondContact OD2-NH2 3.47Å; R510-Y558 HydrophobicContact CB-CD1 4.09Å; R510-Y558 HydrophobicContact CB-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CG 4.22Å; R510-Y558 HydrophobicContact CG-CD1 4.13Å; R510-Y558 HydrophobicContact CG-CD2 4.36Å; R510-Y558 HydrophobicContact CG-CE1 4.04Å; R510-Y558 HydrophobicContact CG-CE2 4.25Å; R510-Y558 HydrophobicContact CG-CG 4.31Å; R510-Y558 VanDerWaalsContact CZ-OH 3.28Å; R510-Y558 PolarHBondContact NH1-OH 2.72Å; R510-Y558 VanDerWaalsContact O-CB 3.23Å; R510-Y558 WeakPolarHBondContact O-CB 3.39Å; R510-R562 PolarHBondContact O-NH1 3.04Å; R510-R562 PolarHBondContact O-NH2 2.95Å
511M94.1Very high83.7Confident91 Ų9179.9 Ų79.945%0.44838%0.381SS..  trans-118.7154.5174.7-60.2-173.2-63.300110.2E515 K516M511-E515 HydrophobicContact CB-CB 4.2Å; M511-K516 HydrophobicContact CB-CG 4.4Å; M511-K516 HydrophobicContact CE-CG 4.39Å; M511-K516 WeakPolarHBondContact O-CE 3.13Å; M511-K516 PolarHBondContact O-NZ 3.04Å
512T95.4Very high86Confident13 Ų1379.1 Ų79.18%0.0837%0.368CS..  trans-65.9155.8173.859.40000111.6D197 A514 E515 K516 D556 Y558D197-T512 HydrophobicContact CB-CG2 4.14Å; D197-T512 WeakPolarHBondContact OD2-CA 3.44Å; D197-T512 WeakPolarHBondContact OD2-CB 3.22Å; T512-A514 PolarHBondContact O-N 2.98Å; T512-E515 WeakPolarHBondContact CB-OE2 3.22Å; T512-E515 PolarHBondContact N-OE2 3.21Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.12Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.45Å; T512-E515 PolarHBondContact OG1-N 3.23Å; T512-E515 PolarHBondContact OG1-OE2 3.12Å; T512-K516 WeakPolarHBondContact O-CG 3.41Å; T512-K516 PolarHBondContact O-N 3.38Å; T512-K516 VanDerWaalsContact O-N 3.09Å; T512-D556 HydrophobicContact CG2-CB 4.06Å; T512-Y558 HydrophobicContact CG2-CD2 3.78Å; T512-Y558 HydrophobicContact CG2-CE2 3.89Å
513E94.6Very high87.8Confident22 Ų2275.5 Ų75.510%0.10335%0.354CS..Hα-helixtrans-58.7-36.4170.6-170.459-158.100110.4K193 D197 E515 K516 N517 L520K193-E513 HydrophobicContact CB-CG 4.4Å; D197-E513 PolarHBondContact OD2-N 2.97Å; E513-E515 PolarHBondContact O-N 2.69Å; E513-K516 PolarHBondContact O-N 3.4Å; E513-K516 VanDerWaalsContact O-N 3.16Å; E513-N517 HydrophobicContact CG-CB 4.32Å; E513-N517 WeakPolarHBondContact O-CB 3.41Å; E513-N517 PolarHBondContact O-N 3.3Å; E513-N517 WeakPolarHBondContact OE1-CB 3.04Å; E513-N517 PolarHBondContact OE1-ND2 2.76Å; E513-L520 HydrophobicContact CB-CD2 3.85Å; E513-L520 HydrophobicContact CG-CD2 3.56Å
514A92.1Very high89.6Confident28 Ų2867.4 Ų67.423%0.23132%0.32CS..Hα-helixtrans-66.2-19.5176.400000114.4T512 L520 L524T512-A514 PolarHBondContact O-N 2.98Å; A514-L520 HydrophobicContact CB-CD2 4.25Å; A514-L520 HydrophobicContact CB-CG 4.49Å; A514-L524 HydrophobicContact CB-CD1 4.14Å
515E92.6Very high90.8Very high68 Ų6869.4 Ų69.432%0.31833%0.33SS..Hα-helixtrans-89.3-32.9170.7-73.2166118.100112.5M511 T512 E513 K559M511-E515 HydrophobicContact CB-CB 4.2Å; T512-E515 WeakPolarHBondContact CB-OE2 3.22Å; T512-E515 PolarHBondContact N-OE2 3.21Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.12Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.45Å; T512-E515 PolarHBondContact OG1-N 3.23Å; T512-E515 PolarHBondContact OG1-OE2 3.12Å; E513-E515 PolarHBondContact O-N 2.69Å; E515-K559 IonicContact OE1-NZ 2.7Å; E515-K559 PolarHBondContact OE1-NZ 3.06Å
516K92.9Very high91.6Very high95 Ų9565.3 Ų65.341%0.41332%0.322SS..Hα-helixtrans-74.8-31.6177.9-67160176.6156.90112.8M511 T512 E513M511-K516 HydrophobicContact CB-CG 4.4Å; M511-K516 HydrophobicContact CE-CG 4.39Å; M511-K516 WeakPolarHBondContact O-CE 3.13Å; M511-K516 PolarHBondContact O-NZ 3.04Å; T512-K516 WeakPolarHBondContact O-CG 3.41Å; T512-K516 PolarHBondContact O-N 3.38Å; T512-K516 VanDerWaalsContact O-N 3.09Å; E513-K516 PolarHBondContact O-N 3.4Å; E513-K516 VanDerWaalsContact O-N 3.16Å
517N93.6Very high92.5Very high50 Ų5061.9 Ų61.927%0.26730%0.298SS..  trans-122.196.7-161-171.5-27.7000111.1E513 R519 L520 Q521E513-N517 HydrophobicContact CG-CB 4.32Å; E513-N517 WeakPolarHBondContact O-CB 3.41Å; E513-N517 PolarHBondContact O-N 3.3Å; E513-N517 WeakPolarHBondContact OE1-CB 3.04Å; E513-N517 PolarHBondContact OE1-ND2 2.76Å; N517-R519 PolarHBondContact O-N 2.81Å; N517-R519 PolarHBondContact OD1-N 2.85Å; N517-L520 HydrophobicContact CB-CB 3.97Å; N517-L520 WeakPolarHBondContact O-CB 3.34Å; N517-L520 PolarHBondContact O-N 3.41Å; N517-L520 VanDerWaalsContact O-N 3.1Å; N517-L520 PolarHBondContact OD1-N 3.3Å; N517-L520 VanDerWaalsContact OD1-N 3.16Å; N517-Q521 PolarHBondContact O-N 3.04Å
518E92.8Very high93.2Very high125 Ų12563.4 Ų63.458%0.58431%0.311SS*.Hα-helixtrans-60.7-28.8-177.4-156.2-154.4177.900112.8K522E518-K522 VanDerWaalsContact CD-CE 3.49Å; E518-K522 WeakPolarHBondContact O-CB 3.41Å; E518-K522 WeakPolarHBondContact O-CD 3.35Å; E518-K522 VanDerWaalsContact O-CG 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.09Å; E518-K522 VanDerWaalsContact O-N 3.08Å; E518-K522 WeakPolarHBondContact OE1-CE 3.23Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.16Å; E518-K522 IonicContact OE2-NZ 3.08Å; E518-K522 PolarHBondContact OE2-NZ 3.42Å
519R93.1Very high93.7Very high119 Ų11963.7 Ų63.745%0.44932%0.321SS..Hα-helixtrans-67.5-49173.8-175.9177.1-177.8-154.3-0.4110.3E178 N517 Q521 K522 H523E178-R519 PolarHBondContact O-NH2 2.84Å; E178-R519 IonicContact OE2-CZ 2.78Å; E178-R519 IonicContact OE2-NH2 3.83Å; E178-R519 PolarHBondContact OE2-NH2 3.16Å; N517-R519 PolarHBondContact O-N 2.81Å; N517-R519 PolarHBondContact OD1-N 2.85Å; R519-Q521 VanDerWaalsContact C-N 3.32Å; R519-Q521 PolarHBondContact O-N 2.91Å; R519-K522 PolarHBondContact O-N 2.88Å; R519-H523 WeakPolarHBondContact CG-NE2 3.24Å; R519-H523 PolarHBondContact NE-CE1 3.15Å; R519-H523 PolarHBondContact NE-NE2 2.93Å; R519-H523 PolarHBondContact O-CD2 3.36Å; R519-H523 VanDerWaalsContact O-CG 3.31Å; R519-H523 PolarHBondContact O-N 2.95Å
520L93.3Very high94.1Very high9 Ų959.2 Ų59.25%0.04730%0.3CS..Hα-helixtrans-58.2-44.1175.8175.760.7000111.7L124 I194 E513 A514 N517 K522 H523 L524L124-L520 HydrophobicContact CD2-CD1 3.28Å; I194-L520 HydrophobicContact CD1-CD1 3.75Å; I194-L520 HydrophobicContact CD1-CD2 4.41Å; I194-L520 HydrophobicContact CG1-CD1 4.06Å; I194-L520 HydrophobicContact CG1-CD2 3.87Å; E513-L520 HydrophobicContact CB-CD2 3.85Å; E513-L520 HydrophobicContact CG-CD2 3.56Å; A514-L520 HydrophobicContact CB-CD2 4.25Å; A514-L520 HydrophobicContact CB-CG 4.49Å; N517-L520 HydrophobicContact CB-CB 3.97Å; N517-L520 WeakPolarHBondContact O-CB 3.34Å; N517-L520 PolarHBondContact O-N 3.41Å; N517-L520 VanDerWaalsContact O-N 3.1Å; N517-L520 PolarHBondContact OD1-N 3.3Å; N517-L520 VanDerWaalsContact OD1-N 3.16Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.72Å; L520-H523 PolarHBondContact O-N 2.85Å; L520-L524 HydrophobicContact CD1-CD1 3.93Å; L520-L524 HydrophobicContact CD1-CG 3.97Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.45Å; L520-L524 WeakPolarHBondContact O-CG 3.39Å; L520-L524 PolarHBondContact O-N 2.87Å
521Q94.1Very high94.2Very high96 Ų9658.1 Ų58.145%0.44930%0.296SS..Hα-helixtrans-58.8-45.9177.7-163.8-17758.100111.6N517 R519 L524 L525N517-Q521 PolarHBondContact O-N 3.04Å; R519-Q521 VanDerWaalsContact C-N 3.32Å; R519-Q521 PolarHBondContact O-N 2.91Å; Q521-L524 PolarHBondContact O-N 2.93Å; Q521-L525 HydrophobicContact CG-CD1 4.27Å; Q521-L525 WeakPolarHBondContact O-CB 3.44Å; Q521-L525 VanDerWaalsContact O-CG 3.28Å; Q521-L525 WeakPolarHBondContact O-CG 3.33Å; Q521-L525 PolarHBondContact O-N 2.68Å
522K95Very high94.2Very high107 Ų10756.8 Ų56.847%0.46530%0.3SS..Hα-helixtrans-63-40.7175.6-72.7166.5-176.5167.10112.4E518 R519 L520 L525 A526E518-K522 VanDerWaalsContact CD-CE 3.49Å; E518-K522 WeakPolarHBondContact O-CB 3.41Å; E518-K522 WeakPolarHBondContact O-CD 3.35Å; E518-K522 VanDerWaalsContact O-CG 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.09Å; E518-K522 VanDerWaalsContact O-N 3.08Å; E518-K522 WeakPolarHBondContact OE1-CE 3.23Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.16Å; E518-K522 IonicContact OE2-NZ 3.08Å; E518-K522 PolarHBondContact OE2-NZ 3.42Å; R519-K522 PolarHBondContact O-N 2.88Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.72Å; K522-L525 PolarHBondContact O-N 3.07Å; K522-A526 WeakPolarHBondContact O-CB 3.28Å; K522-A526 PolarHBondContact O-N 2.9Å
523H94.5Very high93.9Very high16 Ų1663.5 Ų63.57%0.07434%0.335CS..Hα-helixtrans-62.8-46.7177.7-71.9-154.3000111.8L124 W175 R519 L520 L525 A526 L527L124-H523 HydrophobicContact CD2-CB 4.31Å; W175-H523 AromaticContact CE3-ND1 3.95Å; W175-H523 HydrophobicContact CH2-CB 4.05Å; W175-H523 HydrophobicContact CZ3-CB 3.82Å; W175-H523 AromaticContact CZ3-CD2 3.85Å; W175-H523 AromaticContact CZ3-CE1 3.77Å; W175-H523 AromaticContact CZ3-CG 3.45Å; W175-H523 VanDerWaalsContact CZ3-CG 3.45Å; W175-H523 AromaticContact CZ3-ND1 3.42Å; W175-H523 WeakPolarHBondContact CZ3-ND1 3.39Å; R519-H523 WeakPolarHBondContact CG-NE2 3.24Å; R519-H523 PolarHBondContact NE-CE1 3.15Å; R519-H523 PolarHBondContact NE-NE2 2.93Å; R519-H523 PolarHBondContact O-CD2 3.36Å; R519-H523 VanDerWaalsContact O-CG 3.31Å; R519-H523 PolarHBondContact O-N 2.95Å; L520-H523 PolarHBondContact O-N 2.85Å; H523-L525 PolarHBondContact O-N 3.47Å; H523-A526 PolarHBondContact O-N 3.05Å; H523-L527 WeakPolarHBondContact O-CB 3.3Å; H523-L527 PolarHBondContact O-N 2.97Å
524L95.3Very high93.9Very high29 Ų2963.1 Ų63.115%0.15234%0.336CS..Hα-helixtrans-65.3-38.5178.2-68.6172000112.2L124 A514 L520 Q521 S528L124-L524 HydrophobicContact CB-CD2 4.44Å; L124-L524 HydrophobicContact CD2-CD2 3.81Å; L124-L524 HydrophobicContact CD2-CG 4.18Å; A514-L524 HydrophobicContact CB-CD1 4.14Å; L520-L524 HydrophobicContact CD1-CD1 3.93Å; L520-L524 HydrophobicContact CD1-CG 3.97Å; L520-L524 HydrophobicContact CG-CD1 4.01Å; L520-L524 HydrophobicContact CG-CG 4.45Å; L520-L524 WeakPolarHBondContact O-CG 3.39Å; L520-L524 PolarHBondContact O-N 2.87Å; Q521-L524 PolarHBondContact O-N 2.93Å; L524-S528 WeakPolarHBondContact O-CB 3.44Å; L524-S528 PolarHBondContact O-N 2.78Å
525L95Very high94Very high113 Ų11365.1 Ų65.159%0.59234%0.337SS*.Hα-helixtrans-66.2-40.1174.8-72.4169.7000112.6Q521 K522 H523 S529Q521-L525 HydrophobicContact CG-CD1 4.27Å; Q521-L525 WeakPolarHBondContact O-CB 3.44Å; Q521-L525 VanDerWaalsContact O-CG 3.28Å; Q521-L525 WeakPolarHBondContact O-CG 3.33Å; Q521-L525 PolarHBondContact O-N 2.68Å; K522-L525 PolarHBondContact O-N 3.07Å; H523-L525 PolarHBondContact O-N 3.47Å; L525-S529 PolarHBondContact O-N 2.94Å; L525-S529 VanDerWaalsContact O-N 3.14Å
526A95.3Very high94.1Very high37 Ų3762.9 Ų62.931%0.30633%0.327SS..Hα-helixtrans-61.6-51.1174.300000111.1W175 K522 H523 S528 S529 E530W175-A526 HydrophobicContact CH2-CB 4.06Å; W175-A526 HydrophobicContact CZ2-CB 3.98Å; K522-A526 WeakPolarHBondContact O-CB 3.28Å; K522-A526 PolarHBondContact O-N 2.9Å; H523-A526 PolarHBondContact O-N 3.05Å; A526-S528 PolarHBondContact O-N 2.83Å; A526-S529 WeakPolarHBondContact O-CB 3.28Å; A526-S529 PolarHBondContact O-N 2.82Å; A526-S529 VanDerWaalsContact O-N 3.11Å; A526-E530 WeakPolarHBondContact O-CG 3.4Å; A526-E530 PolarHBondContact O-N 2.64Å
527L95.6Very high94.1Very high0 Ų063.2 Ų63.20%033%0.334CS..Hα-helixtrans-59-42.3176.7-85.2163.1000113.2E120 V123 L124 W175 H523 S529 E530 L531E120-L527 HydrophobicContact CB-CB 3.84Å; V123-L527 HydrophobicContact CB-CD2 3.86Å; V123-L527 HydrophobicContact CG1-CD2 3.51Å; L124-L527 HydrophobicContact CB-CD1 3.72Å; L124-L527 HydrophobicContact CD1-CD1 4.4Å; W175-L527 HydrophobicContact CD2-CD1 4.22Å; W175-L527 HydrophobicContact CD2-CG 4.39Å; W175-L527 HydrophobicContact CZ2-CD1 4.32Å; W175-L527 HydrophobicContact CZ2-CD2 4.48Å; W175-L527 HydrophobicContact CZ2-CG 3.84Å; W175-L527 VanDerWaalsContact NE1-CD2 3.27Å; H523-L527 WeakPolarHBondContact O-CB 3.3Å; H523-L527 PolarHBondContact O-N 2.97Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.84Å; L527-E530 PolarHBondContact O-N 2.87Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 VanDerWaalsContact O-CG 3.24Å; L527-L531 WeakPolarHBondContact O-CG 3.39Å; L527-L531 PolarHBondContact O-N 2.84Å
528S95.2Very high94.1Very high48 Ų4866.7 Ų66.734%0.33636%0.357SS..Hα-helixtrans-61.1-38.8176.6-157.70000111.3E120 L524 A526 A532E120-S528 PolarHBondContact OE1-OG 3.43Å; L524-S528 WeakPolarHBondContact O-CB 3.44Å; L524-S528 PolarHBondContact O-N 2.78Å; A526-S528 PolarHBondContact O-N 2.83Å; S528-A532 WeakPolarHBondContact O-CB 3.24Å; S528-A532 PolarHBondContact O-N 2.83Å; S528-A532 VanDerWaalsContact O-N 3.1Å
529S95.1Very high94.3Very high78 Ų7865.6 Ų65.655%0.54535%0.35SS..Hα-helixtrans-69-44.4174.6-168.60000113.3L525 A526 L527 L531 A532 N533L525-S529 PolarHBondContact O-N 2.94Å; L525-S529 VanDerWaalsContact O-N 3.14Å; A526-S529 WeakPolarHBondContact O-CB 3.28Å; A526-S529 PolarHBondContact O-N 2.82Å; A526-S529 VanDerWaalsContact O-N 3.11Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.84Å; S529-L531 VanDerWaalsContact C-N 3.34Å; S529-L531 PolarHBondContact O-N 2.64Å; S529-A532 PolarHBondContact O-N 2.92Å; S529-N533 PolarHBondContact O-ND2 3.03Å
530E93.7Very high94.3Very high74 Ų7463.3 Ų63.335%0.34634%0.344SS..Hα-helixtrans-60.6-41177.7-75.2168-158.300112.4W175 A526 L527W175-E530 PolarHBondContact NE1-OE2 2.95Å; A526-E530 WeakPolarHBondContact O-CG 3.4Å; A526-E530 PolarHBondContact O-N 2.64Å; L527-E530 PolarHBondContact O-N 2.87Å
531L94.8Very high94.5Very high3 Ų365.3 Ų65.32%0.01636%0.356CS..Hα-helixtrans-80.9-29.3-177.7-64.1176.3000113.1P119 V123 L163 W168 L527 S529 N533 A534 R535P119-L531 HydrophobicContact CB-CD1 3.83Å; V123-L531 HydrophobicContact CG2-CD1 4.08Å; L163-L531 HydrophobicContact CD1-CD2 4.33Å; W168-L531 HydrophobicContact CH2-CD2 3.84Å; W168-L531 HydrophobicContact CZ3-CD2 3.59Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 VanDerWaalsContact O-CG 3.24Å; L527-L531 WeakPolarHBondContact O-CG 3.39Å; L527-L531 PolarHBondContact O-N 2.84Å; S529-L531 VanDerWaalsContact C-N 3.34Å; S529-L531 PolarHBondContact O-N 2.64Å; L531-N533 VanDerWaalsContact C-N 3.27Å; L531-N533 PolarHBondContact O-N 3.48Å; L531-A534 PolarHBondContact O-N 3.06Å; L531-R535 PolarHBondContact O-N 2.89Å
532A93.6Very high94.6Very high63 Ų6364.8 Ų64.852%0.52136%0.359SS..Hα-helixtrans-52.8-42.1-177.900000113.2S528 S529 A534 R535S528-A532 WeakPolarHBondContact O-CB 3.24Å; S528-A532 PolarHBondContact O-N 2.83Å; S528-A532 VanDerWaalsContact O-N 3.1Å; S529-A532 PolarHBondContact O-N 2.92Å; A532-A534 PolarHBondContact O-N 2.85Å; A532-R535 PolarHBondContact O-N 2.85Å
533N90.4Very high94.7Very high154 Ų15461.8 Ų61.882%0.82435%0.348SS*.THydrogen-bonded Turntrans-65.9-22.8-179.8-66.1-61.1000114S529 L531S529-N533 PolarHBondContact O-ND2 3.03Å; L531-N533 VanDerWaalsContact C-N 3.27Å; L531-N533 PolarHBondContact O-N 3.48Å
534A93.4Very high94.8Very high14 Ų1461.1 Ų61.112%0.11635%0.345CS..THydrogen-bonded Turntrans-101.4-5.8-18000000113.4H161 K162 L163 L531 A532H161-A534 CarbonylContact C-O 3.49Å; H161-A534 WeakPolarHBondContact CA-O 3.43Å; H161-A534 HydrophobicContact CB-CB 4.43Å; K162-A534 PolarHBondContact N-O 3.19Å; L163-A534 HydrophobicContact CD1-CB 4.25Å; L163-A534 HydrophobicContact CD2-CB 3.71Å; L163-A534 HydrophobicContact CG-CB 3.79Å; L531-A534 PolarHBondContact O-N 3.06Å; A532-A534 PolarHBondContact O-N 2.85Å
535R94.9Very high94.8Very high70 Ų7064.1 Ų64.126%0.26436%0.36SS..BIsolated β-bridgetrans-68.9142.1-171.5-161.1174.2-167.3167.95.1112.5Q160 L531 A532Q160-R535 VanDerWaalsContact OE1-NE 3.08Å; L531-R535 PolarHBondContact O-N 2.89Å; A532-R535 PolarHBondContact O-N 2.85Å
536D94.5Very high94.9Very high21 Ų2159.8 Ų59.811%0.11234%0.337CS..  trans-105.595.9170-160.2-26.9000110.4Q160 K162 T538 K539Q160-D536 PolarHBondContact O-N 2.99Å; K162-D536 VanDerWaalsContact CE-CG 3.49Å; K162-D536 WeakPolarHBondContact CE-OD2 3.39Å; K162-D536 IonicContact NZ-OD1 2.7Å; K162-D536 IonicContact NZ-OD2 3.37Å; K162-D536 PolarHBondContact NZ-OD2 2.85Å; D536-T538 PolarHBondContact O-N 2.99Å; D536-T538 WeakPolarHBondContact OD1-CB 3.32Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 VanDerWaalsContact OD1-N 3.17Å; D536-T538 PolarHBondContact OD1-OG1 3.42Å; D536-K539 HydrophobicContact CB-CD 4.14Å; D536-K539 HydrophobicContact CB-CG 4.23Å; D536-K539 PolarHBondContact O-N 2.73Å
537D92.3Very high95Very high101 Ų10159.1 Ų59.154%0.5433%0.327SS..G310 helixtrans-57.7-21.2179.9-90.415.5000114K539 K540D537-K539 PolarHBondContact O-N 2.97Å; D537-K540 WeakPolarHBondContact OD1-CE 3.25Å; D537-K540 IonicContact OD1-NZ 3.11Å; D537-K540 PolarHBondContact OD1-NZ 2.85Å; D537-K540 IonicContact OD2-NZ 2.72Å; D537-K540 PolarHBondContact OD2-NZ 3.48Å
538T94.6Very high95Very high124 Ų12461.7 Ų61.776%0.76135%0.349SS*.G310 helixtrans-72.5-14176.8690000113.6D536D536-T538 PolarHBondContact O-N 2.99Å; D536-T538 WeakPolarHBondContact OD1-CB 3.32Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 VanDerWaalsContact OD1-N 3.17Å; D536-T538 PolarHBondContact OD1-OG1 3.42Å
539K96.3Very high95.1Very high101 Ų10165.4 Ų65.444%0.43936%0.361SS..G310 helixtrans-1087.8-174.8-60.4-176-176.5-174.20114.3D159 Q160 D536 D537 T541D159-K539 WeakPolarHBondContact O-CD 3.42Å; D159-K539 WeakPolarHBondContact O-CE 3.13Å; D159-K539 PolarHBondContact O-NZ 3Å; Q160-K539 HydrophobicContact CB-CB 4.08Å; D536-K539 HydrophobicContact CB-CD 4.14Å; D536-K539 HydrophobicContact CB-CG 4.23Å; D536-K539 PolarHBondContact O-N 2.73Å; D537-K539 PolarHBondContact O-N 2.97Å; K539-T541 PolarHBondContact O-N 2.7Å
540K94.4Very high95.2Very high72 Ų7261.9 Ų61.931%0.31334%0.336SS..  trans-59.9125.8175.6-72.6172.6179.8162.90110.4D537 D544 M545D537-K540 WeakPolarHBondContact OD1-CE 3.25Å; D537-K540 IonicContact OD1-NZ 3.11Å; D537-K540 PolarHBondContact OD1-NZ 2.85Å; D537-K540 IonicContact OD2-NZ 2.72Å; D537-K540 PolarHBondContact OD2-NZ 3.48Å; K540-D544 HydrophobicContact CB-CB 4.33Å; K540-M545 HydrophobicContact CB-CG 4.31Å
541T96.4Very high95.3Very high51 Ų5164 Ų6431%0.31335%0.347SS..  trans-79.7170172.472.50000111.1R156 K539 N543 D544 M545R156-T541 HydrophobicContact CG-CG2 3.86Å; K539-T541 PolarHBondContact O-N 2.7Å; T541-N543 PolarHBondContact O-N 3.5Å; T541-N543 PolarHBondContact OG1-N 3.1Å; T541-D544 WeakPolarHBondContact CA-OD2 3.43Å; T541-D544 VanDerWaalsContact CB-OD2 3.23Å; T541-D544 WeakPolarHBondContact CB-OD2 3.28Å; T541-D544 WeakPolarHBondContact CG2-OD2 2.85Å; T541-D544 PolarHBondContact N-OD2 3.17Å; T541-D544 PolarHBondContact O-N 2.85Å; T541-D544 VanDerWaalsContact O-N 3.16Å; T541-D544 PolarHBondContact OG1-N 2.87Å; T541-D544 PolarHBondContact OG1-OD2 3.01Å; T541-M545 PolarHBondContact O-N 3.49Å; T541-M545 VanDerWaalsContact O-N 3.12Å
542V95.8Very high95.3Very high84 Ų8473.1 Ų73.151%0.50939%0.387SS..Hα-helixtrans-55.4-38.2173.7179.70000111.5M545 I546V542-M545 HydrophobicContact CG2-CE 4.44Å; V542-M545 PolarHBondContact O-N 3.48Å; V542-I546 HydrophobicContact CG1-CD1 3.78Å; V542-I546 HydrophobicContact CG1-CG1 4.46Å; V542-I546 WeakPolarHBondContact O-CG1 3.41Å; V542-I546 PolarHBondContact O-N 2.84Å
543N96.8Very high95.4Very high44 Ų4473 Ų7324%0.23539%0.385CS..Hα-helixtrans-70.7-41.8177.4-66.9-4.1000111.8Y116 M234 T541 M545 I546 H547Y116-N543 HydrophobicContact CD2-CB 3.41Å; Y116-N543 VanDerWaalsContact CD2-CB 3.41Å; Y116-N543 HydrophobicContact CE2-CB 3.71Å; Y116-N543 HydrophobicContact CG-CB 4.02Å; M234-N543 HydrophobicContact CE-CB 3.89Å; M234-N543 VanDerWaalsContact CE-O 3.26Å; M234-N543 WeakPolarHBondContact CE-O 3.48Å; M234-N543 HydrophobicContact SD-CB 4.09Å; T541-N543 PolarHBondContact O-N 3.5Å; T541-N543 PolarHBondContact OG1-N 3.1Å; N543-M545 PolarHBondContact O-N 3.27Å; N543-I546 PolarHBondContact O-N 2.94Å; N543-H547 WeakPolarHBondContact O-CB 3.27Å; N543-H547 PolarHBondContact O-N 3.14Å
544D96.9Very high95.6Very high3 Ų367.9 Ų67.92%0.01637%0.37CS..Hα-helixtrans-60.2-31.6176.6-53.3-78.7000111.5R156 Q160 K540 T541 A548R156-D544 WeakPolarHBondContact CD-OD2 3.44Å; R156-D544 IonicContact CZ-OD1 3.04Å; R156-D544 IonicContact NH1-OD1 2.69Å; R156-D544 PolarHBondContact NH1-OD1 3.16Å; Q160-D544 PolarHBondContact NE2-OD1 2.89Å; K540-D544 HydrophobicContact CB-CB 4.33Å; T541-D544 WeakPolarHBondContact CA-OD2 3.43Å; T541-D544 VanDerWaalsContact CB-OD2 3.23Å; T541-D544 WeakPolarHBondContact CB-OD2 3.28Å; T541-D544 WeakPolarHBondContact CG2-OD2 2.85Å; T541-D544 PolarHBondContact N-OD2 3.17Å; T541-D544 PolarHBondContact O-N 2.85Å; T541-D544 VanDerWaalsContact O-N 3.16Å; T541-D544 PolarHBondContact OG1-N 2.87Å; T541-D544 PolarHBondContact OG1-OD2 3.01Å; D544-A548 WeakPolarHBondContact O-CB 3.44Å; D544-A548 PolarHBondContact O-N 3.38Å
545M96.6Very high95.8Very high92 Ų9271 Ų7145%0.45338%0.379SS..Hα-helixtrans-73.7-50.2174.4-66.6-173-69.300112.8K540 T541 V542 N543 H547 A548 E549K540-M545 HydrophobicContact CB-CG 4.31Å; T541-M545 PolarHBondContact O-N 3.49Å; T541-M545 VanDerWaalsContact O-N 3.12Å; V542-M545 HydrophobicContact CG2-CE 4.44Å; V542-M545 PolarHBondContact O-N 3.48Å; N543-M545 PolarHBondContact O-N 3.27Å; M545-H547 VanDerWaalsContact C-N 3.3Å; M545-H547 PolarHBondContact O-N 3.08Å; M545-A548 PolarHBondContact O-N 2.81Å; M545-E549 PolarHBondContact O-N 2.85Å
546I97.4Very high95.8Very high22 Ų2269 Ų6911%0.11337%0.373CS..Hα-helixtrans-59.1-42.4178.6-68.7165.9000111D232 M234 T235 V542 N543 E549 N550D232-I546 HydrophobicContact CB-CD1 3.94Å; M234-I546 HydrophobicContact CB-CG2 4.4Å; M234-I546 HydrophobicContact CE-CB 3.8Å; M234-I546 HydrophobicContact CE-CG2 3.71Å; T235-I546 WeakPolarHBondContact OG1-CG2 3.48Å; V542-I546 HydrophobicContact CG1-CD1 3.78Å; V542-I546 HydrophobicContact CG1-CG1 4.46Å; V542-I546 WeakPolarHBondContact O-CG1 3.41Å; V542-I546 PolarHBondContact O-N 2.84Å; N543-I546 PolarHBondContact O-N 2.94Å; I546-E549 PolarHBondContact O-N 2.9Å; I546-N550 PolarHBondContact O-N 2.99Å
547H96.9Very high96Very high22 Ų2269.1 Ų69.110%0.10237%0.372CS..Hα-helixtrans-65.1-42.3177.1-177.479.3000111.7Y116 E199 M234 N543 M545 E549 N550 M551Y116-H547 HydrophobicContact CE1-CB 3.62Å; Y116-H547 AromaticContact CE1-CG 3.62Å; Y116-H547 AromaticContact CE1-ND1 3.84Å; Y116-H547 WeakPolarHBondContact OH-CB 3.33Å; E199-H547 IonicContact OE1-CE1 2.72Å; E199-H547 IonicContact OE1-CG 2.86Å; E199-H547 IonicContact OE1-ND1 3.23Å; E199-H547 PolarHBondContact OE1-ND1 3.41Å; E199-H547 IonicContact OE2-ND1 3.19Å; M234-H547 HydrophobicContact CE-CB 3.91Å; N543-H547 WeakPolarHBondContact O-CB 3.27Å; N543-H547 PolarHBondContact O-N 3.14Å; M545-H547 VanDerWaalsContact C-N 3.3Å; M545-H547 PolarHBondContact O-N 3.08Å; H547-E549 VanDerWaalsContact C-N 3.3Å; H547-E549 PolarHBondContact O-N 3.34Å; H547-N550 WeakPolarHBondContact O-CB 3.39Å; H547-N550 PolarHBondContact O-N 2.98Å; H547-M551 WeakPolarHBondContact O-CG 3.44Å; H547-M551 PolarHBondContact O-N 3.39Å
548A95.9Very high96.2Very high55 Ų5564.6 Ų64.646%0.45535%0.348SS..Hα-helixtrans-62.5-36174.800000112.7D544 M545 K552D544-A548 WeakPolarHBondContact O-CB 3.44Å; D544-A548 PolarHBondContact O-N 3.38Å; M545-A548 PolarHBondContact O-N 2.81Å; A548-K552 WeakPolarHBondContact O-CB 3.33Å; A548-K552 PolarHBondContact O-N 3.4Å
549E96.9Very high96.3Very high126 Ų12662.7 Ų62.759%0.58933%0.329SS*.Hα-helixtrans-68-39.3172.1-71.8-173.6176.600112.7M545 I546 H547 K552 A553M545-E549 PolarHBondContact O-N 2.85Å; I546-E549 PolarHBondContact O-N 2.9Å; H547-E549 VanDerWaalsContact C-N 3.3Å; H547-E549 PolarHBondContact O-N 3.34Å; E549-K552 PolarHBondContact O-N 2.85Å; E549-A553 VanDerWaalsContact O-CB 3.28Å; E549-A553 WeakPolarHBondContact O-CB 3.45Å; E549-A553 PolarHBondContact O-N 2.96Å
550N96.9Very high96.3Very high4 Ų458.3 Ų58.32%0.02131%0.311CS..Hα-helixtrans-60.5-52173.9-75.6-19.3000111.4T235 I546 H547 K552 A553 G554 R555T235-N550 WeakPolarHBondContact CG2-OD1 3.47Å; T235-N550 PolarHBondContact OG1-ND2 3Å; T235-N550 PolarHBondContact OG1-OD1 3.21Å; I546-N550 PolarHBondContact O-N 2.99Å; H547-N550 WeakPolarHBondContact O-CB 3.39Å; H547-N550 PolarHBondContact O-N 2.98Å; N550-K552 PolarHBondContact O-N 3.33Å; N550-A553 CarbonylContact O-C 3.51Å; N550-A553 PolarHBondContact O-N 2.75Å; N550-A553 VanDerWaalsContact O-N 3.09Å; N550-G554 PolarHBondContact O-N 2.92Å; N550-G554 VanDerWaalsContact O-N 3.16Å; N550-R555 HydrophobicContact CB-CB 4.18Å; N550-R555 PolarHBondContact O-N 2.88Å; N550-R555 PolarHBondContact OD1-NE 2.67Å; N550-R555 PolarHBondContact OD1-NH2 2.56Å
551M94.8Very high96.4Very high118 Ų11855.4 Ų55.458%0.58130%0.299SS*.Hα-helixtrans-60.8-42.6178.1-66.2-61.2-74.700111.8H547 A553 G554H547-M551 WeakPolarHBondContact O-CG 3.44Å; H547-M551 PolarHBondContact O-N 3.39Å; M551-A553 VanDerWaalsContact C-N 3.28Å; M551-A553 PolarHBondContact O-N 2.85Å; M551-G554 PolarHBondContact O-N 3.38Å
552K95.8Very high96.4Very high194 Ų19457.1 Ų57.184%0.84330%0.299SS*.Hα-helixtrans-63.1-31.4174.9-177.6179.3176.2-175.60113.1A548 E549 N550 G554A548-K552 WeakPolarHBondContact O-CB 3.33Å; A548-K552 PolarHBondContact O-N 3.4Å; E549-K552 PolarHBondContact O-N 2.85Å; N550-K552 PolarHBondContact O-N 3.33Å; K552-G554 VanDerWaalsContact C-N 3.29Å
553A95.7Very high96.4Very high60 Ų6058.8 Ų58.850%0.49630%0.302SS..THydrogen-bonded Turntrans-84.41.6175.100000113.6E549 N550 M551 R555E549-A553 VanDerWaalsContact O-CB 3.28Å; E549-A553 WeakPolarHBondContact O-CB 3.45Å; E549-A553 PolarHBondContact O-N 2.96Å; N550-A553 CarbonylContact O-C 3.51Å; N550-A553 PolarHBondContact O-N 2.75Å; N550-A553 VanDerWaalsContact O-N 3.09Å; M551-A553 VanDerWaalsContact C-N 3.28Å; M551-A553 PolarHBondContact O-N 2.85Å; A553-R555 HydrophobicContact CB-CG 4.07Å; A553-R555 PolarHBondContact O-N 2.83Å
554G95Very high96.4Very high48 Ų4857.4 Ų57.450%0.49529%0.294SS..THydrogen-bonded Turntrans67.621.1-175.200000113.9N550 M551 K552N550-G554 PolarHBondContact O-N 2.92Å; N550-G554 VanDerWaalsContact O-N 3.16Å; M551-G554 PolarHBondContact O-N 3.38Å; K552-G554 VanDerWaalsContact C-N 3.29Å
555R96.6Very high96.4Very high80 Ų8058.8 Ų58.830%0.30230%0.299SS..  trans-88.9133.2178.8-65.6-166.1-67.4-123.81.4111.2N550 A553N550-R555 HydrophobicContact CB-CB 4.18Å; N550-R555 PolarHBondContact O-N 2.88Å; N550-R555 PolarHBondContact OD1-NE 2.67Å; N550-R555 PolarHBondContact OD1-NH2 2.56Å; A553-R555 HydrophobicContact CB-CG 4.07Å; A553-R555 PolarHBondContact O-N 2.83Å
556D96.3Very high96.2Very high26 Ų2657.8 Ų57.814%0.13930%0.301CS..  trans-125.1179.716463.178.4000110T512 Y558 K559 T560T512-D556 HydrophobicContact CG2-CB 4.06Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.47Å; D556-Y558 PolarHBondContact OD1-N 3.27Å; D556-K559 PolarHBondContact OD1-N 3.19Å; D556-K559 WeakPolarHBondContact OD2-CB 3.49Å; D556-K559 WeakPolarHBondContact OD2-CD 3.45Å; D556-K559 WeakPolarHBondContact OD2-CE 3.46Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D556-K559 IonicContact OD2-NZ 2.59Å; D556-K559 PolarHBondContact OD2-NZ 2.91Å; D556-T560 WeakPolarHBondContact O-CB 3.48Å; D556-T560 PolarHBondContact O-N 3.06Å; D556-T560 PolarHBondContact O-OG1 2.94Å
557K97.4Very high95.9Very high24 Ų2458.7 Ų58.710%0.10432%0.316CS..Hα-helixtrans-53.4-49.5179.1-172.2169.1-171.6165.90113.4Q196 D197 L198 Y201 L561Q196-K557 PolarHBondContact O-NZ 3Å; D197-K557 WeakPolarHBondContact O-CB 3.24Å; D197-K557 VanDerWaalsContact O-CD 3.32Å; D197-K557 WeakPolarHBondContact O-CD 3.28Å; L198-K557 PolarHBondContact O-NZ 3.47Å; Y201-K557 PolarHBondContact O-NZ 3.27Å; Y201-K557 VanDerWaalsContact O-NZ 3.09Å; K557-L561 HydrophobicContact CG-CD1 4.28Å; K557-L561 WeakPolarHBondContact O-CB 3.13Å; K557-L561 VanDerWaalsContact O-CG 3.22Å; K557-L561 WeakPolarHBondContact O-CG 3.35Å; K557-L561 PolarHBondContact O-N 3.15Å
558Y96.7Very high95.8Very high6 Ų662 Ų622%0.02433%0.334CS..Hα-helixtrans-82.7-36-173.5-52.3-65.4000112.7D197 L223 R510 T512 D556 T560 L561 R562D197-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D197-Y558 PolarHBondContact OD1-OH 3.41Å; L223-Y558 HydrophobicContact CD1-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CD1 4.09Å; R510-Y558 HydrophobicContact CB-CE1 4.46Å; R510-Y558 HydrophobicContact CB-CG 4.22Å; R510-Y558 HydrophobicContact CG-CD1 4.13Å; R510-Y558 HydrophobicContact CG-CD2 4.36Å; R510-Y558 HydrophobicContact CG-CE1 4.04Å; R510-Y558 HydrophobicContact CG-CE2 4.25Å; R510-Y558 HydrophobicContact CG-CG 4.31Å; R510-Y558 VanDerWaalsContact CZ-OH 3.28Å; R510-Y558 PolarHBondContact NH1-OH 2.72Å; R510-Y558 VanDerWaalsContact O-CB 3.23Å; R510-Y558 WeakPolarHBondContact O-CB 3.39Å; T512-Y558 HydrophobicContact CG2-CD2 3.78Å; T512-Y558 HydrophobicContact CG2-CE2 3.89Å; D556-Y558 PolarHBondContact O-N 2.92Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.47Å; D556-Y558 PolarHBondContact OD1-N 3.27Å; Y558-T560 VanDerWaalsContact C-N 3.33Å; Y558-L561 HydrophobicContact CD1-CD1 4.37Å; Y558-L561 PolarHBondContact O-N 3.39Å; Y558-R562 WeakPolarHBondContact O-CG 3.45Å; Y558-R562 PolarHBondContact O-N 2.98Å
559K96.5Very high95.8Very high85 Ų8560.1 Ų60.137%0.3732%0.317SS..Hα-helixtrans-61-42.3169-74.5-174.1-161.386.60111.4E515 D556 R562 Q563E515-K559 IonicContact OE1-NZ 2.7Å; E515-K559 PolarHBondContact OE1-NZ 3.06Å; D556-K559 PolarHBondContact OD1-N 3.19Å; D556-K559 WeakPolarHBondContact OD2-CB 3.49Å; D556-K559 WeakPolarHBondContact OD2-CD 3.45Å; D556-K559 WeakPolarHBondContact OD2-CE 3.46Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D556-K559 IonicContact OD2-NZ 2.59Å; D556-K559 PolarHBondContact OD2-NZ 2.91Å; K559-R562 PolarHBondContact O-N 2.9Å; K559-Q563 WeakPolarHBondContact O-CB 3.33Å; K559-Q563 PolarHBondContact O-N 3.1Å
560T97.4Very high95.7Very high8 Ų859 Ų595%0.04931%0.31CS..Hα-helixtrans-65.4-45.5176.3-53.80000110.9T235 P236 D556 Y558 R562 Q563 I564T235-T560 HydrophobicContact CG2-CG2 4.09Å; P236-T560 HydrophobicContact CG-CG2 4.16Å; D556-T560 WeakPolarHBondContact O-CB 3.48Å; D556-T560 PolarHBondContact O-N 3.06Å; D556-T560 PolarHBondContact O-OG1 2.94Å; Y558-T560 VanDerWaalsContact C-N 3.33Å; T560-R562 PolarHBondContact O-N 2.74Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; T560-I564 HydrophobicContact CG2-CG2 4.3Å; T560-I564 WeakPolarHBondContact O-CG1 3.29Å; T560-I564 WeakPolarHBondContact O-CG2 3.39Å; T560-I564 PolarHBondContact O-N 3.21Å
561L96.8Very high95.7Very high12 Ų1262.5 Ų62.56%0.06333%0.326CS..Hα-helixtrans-59-41.8175.1-76170.7000112.8L223 K557 Y558 I564 R565L223-L561 HydrophobicContact CD1-CD1 3.79Å; K557-L561 HydrophobicContact CG-CD1 4.28Å; K557-L561 WeakPolarHBondContact O-CB 3.13Å; K557-L561 VanDerWaalsContact O-CG 3.22Å; K557-L561 WeakPolarHBondContact O-CG 3.35Å; K557-L561 PolarHBondContact O-N 3.15Å; Y558-L561 HydrophobicContact CD1-CD1 4.37Å; Y558-L561 PolarHBondContact O-N 3.39Å; L561-I564 HydrophobicContact CD2-CD1 4.18Å; L561-R565 WeakPolarHBondContact O-CB 3.22Å; L561-R565 VanDerWaalsContact O-CD 3.24Å; L561-R565 WeakPolarHBondContact O-CD 3.46Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 2.86Å
562R95.9Very high95.9Very high86 Ų8657.1 Ų57.133%0.32530%0.3SS..Hα-helixtrans-59.3-47.5171.8-80.7-179-81.7-87.11111.7E508 R510 Y558 K559 T560 R565 S566E508-R562 VanDerWaalsContact O-CD 3.28Å; E508-R562 WeakPolarHBondContact O-CD 3.35Å; E508-R562 WeakPolarHBondContact O-CG 3.19Å; E508-R562 PolarHBondContact O-NH1 2.6Å; R510-R562 PolarHBondContact O-NH1 3.04Å; R510-R562 PolarHBondContact O-NH2 2.95Å; Y558-R562 WeakPolarHBondContact O-CG 3.45Å; Y558-R562 PolarHBondContact O-N 2.98Å; K559-R562 PolarHBondContact O-N 2.9Å; T560-R562 PolarHBondContact O-N 2.74Å; R562-R565 PolarHBondContact O-N 2.71Å; R562-S566 PolarHBondContact O-N 3.27Å
563Q96.4Very high96Very high120 Ų12048 Ų4856%0.56126%0.26SS*.Hα-helixtrans-60.8-50.4-178-174177.83.400112.1K559 T560 R565 S566K559-Q563 WeakPolarHBondContact O-CB 3.33Å; K559-Q563 PolarHBondContact O-N 3.1Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; Q563-R565 PolarHBondContact O-N 3.47Å; Q563-S566 VanDerWaalsContact O-CB 3.31Å; Q563-S566 WeakPolarHBondContact O-CB 3.16Å; Q563-S566 PolarHBondContact O-N 3.25Å; Q563-S566 PolarHBondContact O-OG 3.02Å
564I96.4Very high96Very high14 Ų1448.6 Ų48.67%0.07226%0.255CS..Hα-helixtrans-75.9-8-175.271.8176.7000114.5P236 K237 G239 T560 L561 R572P236-I564 HydrophobicContact CB-CD1 3.68Å; P236-I564 HydrophobicContact CG-CD1 3.66Å; P236-I564 WeakPolarHBondContact O-CG2 3.48Å; K237-I564 WeakPolarHBondContact O-CG2 3.37Å; G239-I564 PolarHBondContact N-O 3.44Å; T560-I564 HydrophobicContact CG2-CG2 4.3Å; T560-I564 WeakPolarHBondContact O-CG1 3.29Å; T560-I564 WeakPolarHBondContact O-CG2 3.39Å; T560-I564 PolarHBondContact O-N 3.21Å; L561-I564 HydrophobicContact CD2-CD1 4.18Å; I564-R572 WeakPolarHBondContact O-CD 3.04Å
565R96.2Very high96.1Very high32 Ų3249.7 Ų49.712%0.12125%0.247CC..THydrogen-bonded Turntrans-98.6-4.9174.6-68.8172.2-176.8-156.7-8.8112.2L223 L561 R562 Q563 R572L223-R565 PolarHBondContact O-NH1 3.24Å; L223-R565 PolarHBondContact O-NH2 3.2Å; L561-R565 WeakPolarHBondContact O-CB 3.22Å; L561-R565 VanDerWaalsContact O-CD 3.24Å; L561-R565 WeakPolarHBondContact O-CD 3.46Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 2.86Å; R562-R565 PolarHBondContact O-N 2.71Å; Q563-R565 PolarHBondContact O-N 3.47Å; R565-R572 VanDerWaalsContact O-CZ 3.28Å; R565-R572 PolarHBondContact O-NE 3.42Å; R565-R572 VanDerWaalsContact O-NE 3.17Å; R565-R572 PolarHBondContact O-NH2 2.7Å
566S92.1Very high96.1Very high72 Ų7245.9 Ų45.950%0.50323%0.233SC..  trans-63.4163.8173.871.40000112R562 Q563 R572R562-S566 PolarHBondContact O-N 3.27Å; Q563-S566 VanDerWaalsContact O-CB 3.31Å; Q563-S566 WeakPolarHBondContact O-CB 3.16Å; Q563-S566 PolarHBondContact O-N 3.25Å; Q563-S566 PolarHBondContact O-OG 3.02Å; S566-R572 VanDerWaalsContact O-CD 3.25Å; S566-R572 WeakPolarHBondContact O-CD 3.25Å; S566-R572 PolarHBondContact O-NE 3.17Å
567G92.5Very high96.1Very high40 Ų4046 Ų4641%0.41223%0.233SC..SBendtrans70.6172.8-170.700000113.2R572G567-R572 PolarHBondContact O-NE 3.4Å; G567-R572 PolarHBondContact O-NH2 3.06Å
568N93.5Very high96Very high92 Ų9249.3 Ų49.349%0.49226%0.258SS..  trans-83.7160.6178.463.271.8000111.7K570 Q571 R572N568-K570 PolarHBondContact O-N 2.89Å; N568-K570 VanDerWaalsContact O-N 3.15Å; N568-K570 WeakPolarHBondContact OD1-CB 3.41Å; N568-K570 PolarHBondContact OD1-N 3.33Å; N568-Q571 WeakPolarHBondContact O-CB 3.25Å; N568-Q571 PolarHBondContact O-N 2.76Å; N568-Q571 PolarHBondContact OD1-N 3.19Å; N568-R572 PolarHBondContact O-N 3.26Å
569T95.4Very high95.9Very high15 Ų1551.7 Ų51.79%0.09227%0.269CS..Hα-helixtrans-58.3-30.5-177.1-43.50000113.4F240 E244 P259 A264 I573F240-T569 HydrophobicContact CD1-CG2 3.99Å; F240-T569 HydrophobicContact CE1-CG2 3.97Å; E244-T569 VanDerWaalsContact CD-OG1 3.25Å; E244-T569 WeakPolarHBondContact OE2-CB 3.31Å; E244-T569 WeakPolarHBondContact OE2-CG2 3.23Å; E244-T569 PolarHBondContact OE2-OG1 3.23Å; P259-T569 HydrophobicContact CB-CG2 3.74Å; P259-T569 HydrophobicContact CG-CG2 4.47Å; A264-T569 HydrophobicContact CB-CG2 4.42Å; T569-I573 HydrophobicContact CG2-CD1 4.18Å; T569-I573 WeakPolarHBondContact O-CD1 3.45Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.33Å; T569-I573 PolarHBondContact O-N 3.17Å
570K96.4Very high95.8Very high103 Ų10350 Ų5045%0.44826%0.264SS..Hα-helixtrans-64.8-50.8173.1174.4-178168.3-173.40111A264 P265 N568 R572 I573 D574A264-K570 HydrophobicContact CB-CB 4.17Å; P265-K570 HydrophobicContact CG-CG 4.39Å; N568-K570 PolarHBondContact O-N 2.89Å; N568-K570 VanDerWaalsContact O-N 3.15Å; N568-K570 WeakPolarHBondContact OD1-CB 3.41Å; N568-K570 PolarHBondContact OD1-N 3.33Å; K570-R572 VanDerWaalsContact C-N 3.29Å; K570-R572 PolarHBondContact O-N 2.91Å; K570-I573 PolarHBondContact O-N 2.76Å; K570-D574 WeakPolarHBondContact CE-OD2 3.34Å; K570-D574 WeakPolarHBondContact CG-OD2 3.44Å; K570-D574 IonicContact NZ-OD2 3.93Å; K570-D574 PolarHBondContact O-N 2.98Å
571Q96.9Very high95.8Very high78 Ų7852.2 Ų52.236%0.36428%0.276SS..Hα-helixtrans-52.9-48.3-179.7-178-167.8-29.500111.1N568 I573 D574 E575N568-Q571 WeakPolarHBondContact O-CB 3.25Å; N568-Q571 PolarHBondContact O-N 2.76Å; N568-Q571 PolarHBondContact OD1-N 3.19Å; Q571-I573 VanDerWaalsContact C-N 3.29Å; Q571-I573 PolarHBondContact O-N 2.81Å; Q571-D574 PolarHBondContact O-N 3.2Å; Q571-D574 VanDerWaalsContact O-N 3.16Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.32Å; Q571-E575 PolarHBondContact NE2-OE1 3.16Å; Q571-E575 WeakPolarHBondContact O-CB 3.46Å; Q571-E575 VanDerWaalsContact O-CG 3.32Å; Q571-E575 WeakPolarHBondContact O-CG 3.49Å; Q571-E575 PolarHBondContact O-N 3.08Å
572R97.9Very high95.7Very high5 Ų554.4 Ų54.42%0.01929%0.288CS..Hα-helixtrans-65.2-26.4178.6-77.6-179.5-87.1118.5-2.5114.1I238 G239 F240 E244 I564 R565 S566 G567 N568 K570 F576I238-R572 HydrophobicContact CG2-CB 3.79Å; I238-R572 HydrophobicContact CG2-CG 4.12Å; G239-R572 WeakPolarHBondContact O-CD 3.47Å; G239-R572 PolarHBondContact O-NH1 2.84Å; F240-R572 HydrophobicContact CE1-CB 3.67Å; F240-R572 HydrophobicContact CZ-CB 3.84Å; E244-R572 IonicContact OE1-CZ 2.67Å; E244-R572 IonicContact OE1-NH1 3.03Å; E244-R572 PolarHBondContact OE1-NH1 3.43Å; E244-R572 IonicContact OE1-NH2 2.7Å; E244-R572 PolarHBondContact OE1-NH2 2.88Å; E244-R572 IonicContact OE2-CZ 3.74Å; E244-R572 IonicContact OE2-NH1 2.69Å; E244-R572 PolarHBondContact OE2-NH1 3.38Å; E244-R572 IonicContact OE2-NH2 3.17Å; E244-R572 PolarHBondContact OE2-NH2 2.67Å; I564-R572 WeakPolarHBondContact O-CD 3.04Å; R565-R572 VanDerWaalsContact O-CZ 3.28Å; R565-R572 PolarHBondContact O-NE 3.42Å; R565-R572 VanDerWaalsContact O-NE 3.17Å; R565-R572 PolarHBondContact O-NH2 2.7Å; S566-R572 VanDerWaalsContact O-CD 3.25Å; S566-R572 WeakPolarHBondContact O-CD 3.25Å; S566-R572 PolarHBondContact O-NE 3.17Å; G567-R572 PolarHBondContact O-NE 3.4Å; G567-R572 PolarHBondContact O-NH2 3.06Å; N568-R572 PolarHBondContact O-N 3.26Å; K570-R572 VanDerWaalsContact C-N 3.29Å; K570-R572 PolarHBondContact O-N 2.91Å; R572-F576 PolarHBondContact O-N 2.84Å
573I97.4Very high95.7Very high3 Ų352.6 Ų52.62%0.01529%0.285CS..Hα-helixtrans-78.6-40.4171.8-65.3166000111.1F240 P265 F267 T569 K570 Q571 E575 F576 E577F240-I573 HydrophobicContact CE1-CG1 3.89Å; F240-I573 HydrophobicContact CZ-CG1 3.8Å; P265-I573 HydrophobicContact CG-CB 4.21Å; P265-I573 HydrophobicContact CG-CD1 4.15Å; P265-I573 HydrophobicContact CG-CG2 3.89Å; P265-I573 VanDerWaalsContact O-CD1 3.23Å; P265-I573 WeakPolarHBondContact O-CD1 3.38Å; F267-I573 HydrophobicContact CB-CD1 3.79Å; F267-I573 HydrophobicContact CB-CG1 3.94Å; F267-I573 HydrophobicContact CD2-CG1 4.38Å; F267-I573 HydrophobicContact CG-CG1 4.45Å; T569-I573 HydrophobicContact CG2-CD1 4.18Å; T569-I573 WeakPolarHBondContact O-CD1 3.45Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.33Å; T569-I573 PolarHBondContact O-N 3.17Å; K570-I573 PolarHBondContact O-N 2.76Å; Q571-I573 VanDerWaalsContact C-N 3.29Å; Q571-I573 PolarHBondContact O-N 2.81Å; I573-E575 VanDerWaalsContact C-N 3.29Å; I573-E575 PolarHBondContact O-N 2.77Å; I573-F576 PolarHBondContact O-N 2.81Å; I573-E577 PolarHBondContact O-N 2.78Å; I573-E577 VanDerWaalsContact O-N 3.1Å
574D95.9Very high95.6Very high72 Ų7248.4 Ų48.439%0.38527%0.268SS..Hα-helixtrans-64.3-36.2175.4-67.5-19.3000110.8K570 Q571 E577 C578K570-D574 WeakPolarHBondContact CE-OD2 3.34Å; K570-D574 WeakPolarHBondContact CG-OD2 3.44Å; K570-D574 IonicContact NZ-OD2 3.93Å; K570-D574 PolarHBondContact O-N 2.98Å; Q571-D574 PolarHBondContact O-N 3.2Å; Q571-D574 VanDerWaalsContact O-N 3.16Å; D574-E577 PolarHBondContact O-N 3.32Å; D574-C578 WeakPolarHBondContact O-CB 3.47Å; D574-C578 PolarHBondContact O-N 3.18Å; D574-C578 PolarHBondContact O-SG 2.88Å
575E96.9Very high95.6Very high71 Ų7150.7 Ų50.733%0.33228%0.281SS..Hα-helixtrans-63.6-44.1171.3-75.2164.8-178.700112.1I238 Q571 I573 E577 C578 M579I238-E575 HydrophobicContact CD1-CB 3.87Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.32Å; Q571-E575 PolarHBondContact NE2-OE1 3.16Å; Q571-E575 WeakPolarHBondContact O-CB 3.46Å; Q571-E575 VanDerWaalsContact O-CG 3.32Å; Q571-E575 WeakPolarHBondContact O-CG 3.49Å; Q571-E575 PolarHBondContact O-N 3.08Å; I573-E575 VanDerWaalsContact C-N 3.29Å; I573-E575 PolarHBondContact O-N 2.77Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.87Å; E575-C578 WeakPolarHBondContact O-CA 3.46Å; E575-C578 VanDerWaalsContact O-CB 3.29Å; E575-C578 WeakPolarHBondContact O-CB 3.26Å; E575-C578 PolarHBondContact O-N 3.15Å; E575-M579 PolarHBondContact O-N 3.44Å
576F97.8Very high95.5Very high0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-61.9-37.1177.1167.1-95.3000113.2I208 N210 L216 I227 I238 F267 V268 F269 R572 I573 C578I208-F576 HydrophobicContact CD1-CE2 4.02Å; I208-F576 HydrophobicContact CD1-CZ 4.24Å; N210-F576 HydrophobicContact CB-CD1 4.04Å; N210-F576 HydrophobicContact CB-CE1 3.36Å; N210-F576 HydrophobicContact CB-CE2 4.1Å; N210-F576 HydrophobicContact CB-CZ 3.4Å; N210-F576 VanDerWaalsContact CB-CZ 3.4Å; N210-F576 PolarHBondContact ND2-O 3.32Å; L216-F576 HydrophobicContact CD1-CD2 4.08Å; L216-F576 HydrophobicContact CD1-CE2 3.66Å; L216-F576 HydrophobicContact CD1-CZ 4.46Å; I227-F576 HydrophobicContact CD1-CD2 4.32Å; I227-F576 HydrophobicContact CD1-CE2 4.23Å; I227-F576 HydrophobicContact CG1-CD2 4.05Å; I227-F576 HydrophobicContact CG1-CE2 4.44Å; I227-F576 HydrophobicContact CG2-CD2 4Å; I227-F576 HydrophobicContact CG2-CE2 4.17Å; I238-F576 VanDerWaalsContact CD1-CA 3.46Å; I238-F576 HydrophobicContact CD1-CB 3.77Å; I238-F576 VanDerWaalsContact CD1-N 3.31Å; F267-F576 HydrophobicContact CD2-CD1 4.08Å; F267-F576 HydrophobicContact CD2-CE1 4.27Å; F267-F576 HydrophobicContact CD2-CG 4.44Å; F267-F576 AromaticContact CE2-CD1 3.6Å; F267-F576 HydrophobicContact CE2-CD1 3.6Å; F267-F576 AromaticContact CE2-CD2 3.92Å; F267-F576 HydrophobicContact CE2-CD2 3.92Å; F267-F576 AromaticContact CE2-CE1 3.63Å; F267-F576 HydrophobicContact CE2-CE1 3.63Å; F267-F576 AromaticContact CE2-CE2 3.94Å; F267-F576 HydrophobicContact CE2-CE2 3.94Å; F267-F576 AromaticContact CE2-CG 3.74Å; F267-F576 HydrophobicContact CE2-CG 3.74Å; F267-F576 AromaticContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CE2-CZ 3.79Å; F267-F576 HydrophobicContact CZ-CD2 4.49Å; F267-F576 HydrophobicContact CZ-CE2 4.33Å; F267-F576 HydrophobicContact CZ-CZ 4.38Å; V268-F576 WeakPolarHBondContact O-CE1 3.34Å; F269-F576 HydrophobicContact CB-CE1 4.44Å; F269-F576 HydrophobicContact CB-CZ 3.87Å; R572-F576 PolarHBondContact O-N 2.84Å; I573-F576 PolarHBondContact O-N 2.81Å; F576-C578 VanDerWaalsContact C-N 3.27Å
577E96.1Very high95.8Very high29 Ų2950.5 Ų50.514%0.13628%0.277CS..THydrogen-bonded Turntrans-80.6-7.7172.7-57.3-65.8-179.600112.5K211 K212 I573 D574 E575K211-E577 VanDerWaalsContact CB-OE2 3.22Å; K211-E577 WeakPolarHBondContact CB-OE2 3.48Å; K211-E577 WeakPolarHBondContact CG-OE1 3.4Å; K211-E577 WeakPolarHBondContact CG-OE2 2.92Å; K211-E577 PolarHBondContact N-OE2 3.03Å; K211-E577 IonicContact NZ-OE1 3.26Å; K211-E577 PolarHBondContact NZ-OE1 2.98Å; K212-E577 WeakPolarHBondContact CD-O 3.44Å; K212-E577 WeakPolarHBondContact CE-O 3.36Å; K212-E577 PolarHBondContact NZ-O 3.24Å; I573-E577 PolarHBondContact O-N 2.78Å; I573-E577 VanDerWaalsContact O-N 3.1Å; D574-E577 PolarHBondContact O-N 3.32Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.87Å
578C95.2Very high96.1Very high93 Ų9351.3 Ų51.363%0.62827%0.265SS*.THydrogen-bonded Turntrans-82.9-31.4171.9-76.50000113.1K212 D574 E575 F576K212-C578 VanDerWaalsContact NZ-C 3.35Å; K212-C578 VanDerWaalsContact NZ-CA 3.32Å; K212-C578 PolarHBondContact NZ-O 3.01Å; D574-C578 WeakPolarHBondContact O-CB 3.47Å; D574-C578 PolarHBondContact O-N 3.18Å; D574-C578 PolarHBondContact O-SG 2.88Å; E575-C578 WeakPolarHBondContact O-CA 3.46Å; E575-C578 VanDerWaalsContact O-CB 3.29Å; E575-C578 WeakPolarHBondContact O-CB 3.26Å; E575-C578 PolarHBondContact O-N 3.15Å; F576-C578 VanDerWaalsContact C-N 3.27Å
579M93.7Very high96.3Very high55 Ų5547.6 Ų47.627%0.27125%0.245SC..  trans-55.70172.1-55.1-176.984.800113.2N210 T214 L216 I227 E229 K237 I238 E575N210-M579 PolarHBondContact ND2-OXT 2.93Å; T214-M579 HydrophobicContact CG2-CB 4.48Å; T214-M579 VanDerWaalsContact CG2-O 3.28Å; T214-M579 WeakPolarHBondContact CG2-O 3.45Å; T214-M579 VanDerWaalsContact OG1-C 3.3Å; T214-M579 PolarHBondContact OG1-O 2.85Å; T214-M579 VanDerWaalsContact OG1-O 3.1Å; T214-M579 PolarHBondContact OG1-OXT 2.59Å; L216-M579 HydrophobicContact CD1-CB 4.34Å; L216-M579 HydrophobicContact CD1-SD 4.16Å; L216-M579 HydrophobicContact CD2-CB 4.48Å; L216-M579 HydrophobicContact CD2-CE 3.71Å; L216-M579 HydrophobicContact CD2-SD 4.08Å; I227-M579 HydrophobicContact CG2-SD 4.29Å; E229-M579 HydrophobicContact CG-CE 3.57Å; K237-M579 HydrophobicContact CB-CE 4.22Å; K237-M579 HydrophobicContact CG-CE 4.05Å; I238-M579 HydrophobicContact CD1-SD 3.87Å; E575-M579 PolarHBondContact O-N 3.44Å

Retrieved 579 of 579 residues in 173.7 ms (Link to these results)

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