A0A077ZJ60_TRITR Loading...

MutS I and MutS III and MutS IV and MutS II domai n containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 537 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
1M40.1Very low72Confident247 Ų24799.1 Ų99.1100%1.21755%0.546SS*.  0102.60-77.7-172.5-169.800106.1
2S55.4Low73.6Confident104 Ų10497.5 Ų97.573%0.72754%0.544SS*.  trans-104.1156-166.1-24.40000109.5
3A58.4Low75Confident39 Ų3992.6 Ų92.632%0.32252%0.515SS..  trans-49.6148.6174.800000111.8E5 A62A3-E5 VanDerWaalsContact C-N 3.28Å; A3-E5 PolarHBondContact O-N 3.21Å; A3-A62 HydrophobicContact CB-CB 4.16Å; A3-A62 WeakPolarHBondContact CB-O 3.4Å
4I56.4Low76.3Confident156 Ų15686 Ų8680%0.848%0.478SS*.  trans-67.195168.3-63174.6000106.5N6I4-N6 PolarHBondContact O-N 2.69Å
5E63Low77.4Confident118 Ų11883.1 Ų83.155%0.55146%0.46SS*.  trans-75.961.8178.6-70.4-179.9-175.800110.4A3 A62A3-E5 VanDerWaalsContact C-N 3.28Å; A3-E5 PolarHBondContact O-N 3.21Å; E5-A62 HydrophobicContact CG-CB 4.42Å
6N81.3Confident78.5Confident93 Ų9380.3 Ų80.350%0.49744%0.442SS..  trans-67.9142.8164.2-171.24.1000108.4I4 D8 A9I4-N6 PolarHBondContact O-N 2.69Å; N6-D8 PolarHBondContact O-N 2.84Å; N6-A9 VanDerWaalsContact O-CB 3.31Å; N6-A9 WeakPolarHBondContact O-CB 3.3Å; N6-A9 PolarHBondContact O-N 2.87Å
7F82.6Confident79.5Confident75 Ų7575.8 Ų75.833%0.32942%0.417SS..G310 helixtrans-50.6-37.1-178.4-170.5-98.8000112.6A9 H10 Q15 K19F7-A9 VanDerWaalsContact C-N 3.27Å; F7-A9 PolarHBondContact O-N 3.25Å; F7-H10 PolarHBondContact O-N 3.47Å; F7-Q15 HydrophobicContact CD1-CG 4.08Å; F7-Q15 HydrophobicContact CD2-CG 4.26Å; F7-Q15 HydrophobicContact CE1-CB 4Å; F7-Q15 HydrophobicContact CE1-CG 3.67Å; F7-Q15 HydrophobicContact CE2-CB 3.82Å; F7-Q15 HydrophobicContact CE2-CG 3.87Å; F7-Q15 HydrophobicContact CG-CG 4.36Å; F7-Q15 HydrophobicContact CZ-CB 3.43Å; F7-Q15 VanDerWaalsContact CZ-CB 3.43Å; F7-Q15 HydrophobicContact CZ-CG 3.55Å; F7-Q15 WeakPolarHBondContact O-CG 3.16Å; F7-Q15 PolarHBondContact O-NE2 3.44Å; F7-K19 HydrophobicContact CE2-CD 4.31Å; F7-K19 HydrophobicContact CE2-CG 4.21Å; F7-K19 HydrophobicContact CZ-CD 4.17Å
8D86.5Confident80.4Confident129 Ų12974.4 Ų74.469%0.6941%0.409SS*.G310 helixtrans-68.7-19.4179.4-61.3-25.1000114.2N6 H10N6-D8 PolarHBondContact O-N 2.84Å; D8-H10 VanDerWaalsContact C-N 3.29Å
9A88.5Confident81.2Confident50 Ų5077.2 Ų77.241%0.41342%0.416SS..G310 helixtrans-79.7-12177.200000113N6 F7 A62N6-A9 VanDerWaalsContact O-CB 3.31Å; N6-A9 WeakPolarHBondContact O-CB 3.3Å; N6-A9 PolarHBondContact O-N 2.87Å; F7-A9 VanDerWaalsContact C-N 3.27Å; F7-A9 PolarHBondContact O-N 3.25Å; A9-A62 HydrophobicContact CB-CB 3.95Å; A9-A62 PolarHBondContact O-N 2.93Å
10H89.2Confident82Confident14 Ų1474.2 Ų74.27%0.06540%0.4CS..SBendtrans-89.8147.7178.2-65.5-53.9000111.7F7 D8 M14 Q15 S61F7-H10 PolarHBondContact O-N 3.47Å; D8-H10 VanDerWaalsContact C-N 3.29Å; H10-M14 HydrophobicContact CB-CB 4.06Å; H10-Q15 HydrophobicContact CB-CG 3.81Å; H10-Q15 PolarHBondContact O-NE2 3.07Å; H10-S61 PolarHBondContact ND1-OG 3.48Å
11T90.5Very high82.8Confident65 Ų6572 Ų7240%0.39939%0.387SS..  trans-63.5154.9171.266.70000110.4M13 M14 Q15T11-M13 PolarHBondContact O-N 3.42Å; T11-M14 PolarHBondContact O-N 3.29Å; T11-M14 PolarHBondContact OG1-N 2.99Å; T11-Q15 WeakPolarHBondContact O-CG 3.38Å; T11-Q15 PolarHBondContact O-N 3.43Å
12P91Very high85.5Confident80 Ų8063.8 Ų63.852%0.51936%0.358SS..Hα-helixtrans-53.4-34178.7-29.435.9000113.9Q16 P105P12-Q16 PolarHBondContact O-N 3.47Å; P12-Q16 VanDerWaalsContact O-N 3.17Å; P12-P105 HydrophobicContact CB-CG 3.75Å
13M92.3Very high87.4Confident34 Ų3464.7 Ų64.717%0.16735%0.351CS..Hα-helixtrans-70.6-40.7177.1174.2-91.3176.200112.1T11 Q16 Y17 Y31 M33 F40T11-M13 PolarHBondContact O-N 3.42Å; M13-Q16 PolarHBondContact O-N 3.45Å; M13-Y17 PolarHBondContact O-N 3.2Å; M13-Y31 HydrophobicContact CE-CD1 4.26Å; M13-Y31 HydrophobicContact CE-CE1 3.84Å; M13-M33 HydrophobicContact CE-CE 3.61Å; M13-M33 HydrophobicContact CE-SD 3.24Å; M13-M33 WeakPolarHBondContact CE-SD 3.34Å; M13-M33 HydrophobicContact CG-SD 4.37Å; M13-M33 HydrophobicContact SD-SD 4.48Å; M13-F40 HydrophobicContact CE-CE1 4.35Å; M13-F40 HydrophobicContact CE-CE2 3.54Å; M13-F40 HydrophobicContact CE-CZ 3.44Å; M13-F40 VanDerWaalsContact CE-CZ 3.44Å
14M93.4Very high89.2Confident0 Ų063.4 Ų63.40%034%0.338CS..Hα-helixtrans-70.1-37175.2-78.7-68.7107.500112.6H10 T11 Q16 Y17 L18 F40 Y41 I66H10-M14 HydrophobicContact CB-CB 4.06Å; T11-M14 PolarHBondContact O-N 3.29Å; T11-M14 PolarHBondContact OG1-N 2.99Å; M14-Q16 VanDerWaalsContact C-N 3.32Å; M14-Q16 PolarHBondContact O-N 2.91Å; M14-Y17 HydrophobicContact CE-CD1 4.16Å; M14-Y17 HydrophobicContact CE-CG 4.17Å; M14-Y17 PolarHBondContact O-N 2.71Å; M14-Y17 HydrophobicContact SD-CD1 4.25Å; M14-L18 WeakPolarHBondContact O-CB 3.19Å; M14-L18 VanDerWaalsContact O-CG 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.47Å; M14-L18 PolarHBondContact O-N 3.25Å; M14-F40 HydrophobicContact CE-CD1 4.18Å; M14-F40 HydrophobicContact CE-CD2 3.74Å; M14-F40 HydrophobicContact CE-CE1 4.27Å; M14-F40 HydrophobicContact CE-CE2 3.85Å; M14-F40 HydrophobicContact CE-CG 3.93Å; M14-F40 HydrophobicContact CE-CZ 4.12Å; M14-Y41 HydrophobicContact SD-CE2 3.87Å; M14-I66 HydrophobicContact CE-CD1 4.47Å; M14-I66 HydrophobicContact CG-CD1 3.81Å; M14-I66 HydrophobicContact SD-CD1 3.79Å; M14-I66 HydrophobicContact SD-CG2 4.36Å
15Q93Very high91.1Very high43 Ų4359.7 Ų59.720%0.20132%0.324CS..Hα-helixtrans-57-44.5171.5-75.6-179.12.700112.2F7 H10 T11 K19F7-Q15 HydrophobicContact CD1-CG 4.08Å; F7-Q15 HydrophobicContact CD2-CG 4.26Å; F7-Q15 HydrophobicContact CE1-CB 4Å; F7-Q15 HydrophobicContact CE1-CG 3.67Å; F7-Q15 HydrophobicContact CE2-CB 3.82Å; F7-Q15 HydrophobicContact CE2-CG 3.87Å; F7-Q15 HydrophobicContact CG-CG 4.36Å; F7-Q15 HydrophobicContact CZ-CB 3.43Å; F7-Q15 VanDerWaalsContact CZ-CB 3.43Å; F7-Q15 HydrophobicContact CZ-CG 3.55Å; F7-Q15 WeakPolarHBondContact O-CG 3.16Å; F7-Q15 PolarHBondContact O-NE2 3.44Å; H10-Q15 HydrophobicContact CB-CG 3.81Å; H10-Q15 PolarHBondContact O-NE2 3.07Å; T11-Q15 WeakPolarHBondContact O-CG 3.38Å; T11-Q15 PolarHBondContact O-N 3.43Å; Q15-K19 WeakPolarHBondContact O-CG 3.4Å; Q15-K19 PolarHBondContact O-N 3.26Å
16Q94.5Very high92.6Very high38 Ų3861.3 Ų61.318%0.17833%0.332CS..Hα-helixtrans-66.4-45175.7-175.1179.555.300111.8P12 M13 M14 K19 L20 Y31 V106P12-Q16 PolarHBondContact O-N 3.47Å; P12-Q16 VanDerWaalsContact O-N 3.17Å; M13-Q16 PolarHBondContact O-N 3.45Å; M14-Q16 VanDerWaalsContact C-N 3.32Å; M14-Q16 PolarHBondContact O-N 2.91Å; Q16-K19 PolarHBondContact O-N 2.99Å; Q16-L20 HydrophobicContact CG-CD1 4.28Å; Q16-L20 PolarHBondContact O-N 3.22Å; Q16-Y31 PolarHBondContact OE1-OH 3.42Å; Q16-V106 PolarHBondContact NE2-O 3.25Å; Q16-V106 PolarHBondContact OE1-O 2.7Å
17Y96Very high93.4Very high3 Ų358.5 Ų58.51%0.01232%0.316CS..Hα-helixtrans-60.3-50.9177.9169.6-98000112.3M13 M14 K19 L20 K21 L29 Y31 F40 Y41M13-Y17 PolarHBondContact O-N 3.2Å; M14-Y17 HydrophobicContact CE-CD1 4.16Å; M14-Y17 HydrophobicContact CE-CG 4.17Å; M14-Y17 PolarHBondContact O-N 2.71Å; M14-Y17 HydrophobicContact SD-CD1 4.25Å; Y17-K19 VanDerWaalsContact C-N 3.29Å; Y17-K19 PolarHBondContact O-N 2.94Å; Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.1Å; Y17-K21 HydrophobicContact CE1-CB 4.27Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 PolarHBondContact O-N 3.12Å; Y17-L29 HydrophobicContact CD2-CD2 4Å; Y17-L29 HydrophobicContact CE2-CD2 3.67Å; Y17-L29 HydrophobicContact CE2-CG 4.26Å; Y17-Y31 HydrophobicContact CD2-CD1 4.45Å; Y17-Y31 AromaticContact CD2-CD2 3.75Å; Y17-Y31 HydrophobicContact CD2-CD2 3.75Å; Y17-Y31 HydrophobicContact CD2-CE2 4.21Å; Y17-Y31 AromaticContact CD2-CG 3.86Å; Y17-Y31 HydrophobicContact CD2-CG 3.86Å; Y17-F40 HydrophobicContact CD1-CD2 4.08Å; Y17-F40 AromaticContact CD2-CD2 3.66Å; Y17-F40 HydrophobicContact CD2-CD2 3.66Å; Y17-F40 HydrophobicContact CD2-CE2 4.12Å; Y17-F40 HydrophobicContact CE1-CB 3.83Å; Y17-F40 AromaticContact CE1-CD2 3.99Å; Y17-F40 HydrophobicContact CE1-CD2 3.99Å; Y17-F40 HydrophobicContact CE1-CG 4.36Å; Y17-F40 HydrophobicContact CE2-CB 4.5Å; Y17-F40 AromaticContact CE2-CD2 3.55Å; Y17-F40 HydrophobicContact CE2-CD2 3.55Å; Y17-F40 HydrophobicContact CE2-CE2 4.31Å; Y17-F40 AromaticContact CG-CD2 3.93Å; Y17-F40 HydrophobicContact CG-CD2 3.93Å; Y17-F40 HydrophobicContact CG-CE2 4.47Å; Y17-F40 AromaticContact CZ-CD2 3.72Å; Y17-Y41 HydrophobicContact CD1-CE2 4.43Å; Y17-Y41 AromaticContact CE1-CD2 3.95Å; Y17-Y41 HydrophobicContact CE1-CD2 3.95Å; Y17-Y41 HydrophobicContact CE1-CE2 4.13Å
18L95.4Very high94.2Very high51 Ų5155 Ų5527%0.26730%0.301SS..Hα-helixtrans-62.7-35.6-177.9-70.4170.2000112M14 K21 A22 Y41M14-L18 WeakPolarHBondContact O-CB 3.19Å; M14-L18 VanDerWaalsContact O-CG 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.47Å; M14-L18 PolarHBondContact O-N 3.25Å; L18-K21 PolarHBondContact O-N 3.15Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.35Å; L18-Y41 HydrophobicContact CD2-CE2 4.14Å
19K96Very high94.7Very high127 Ų12748.8 Ų48.855%0.55227%0.268SS*.Hα-helixtrans-60.8-44.2172.7-80.9176.1171.8173.30112.5F7 Q15 Q16 Y17F7-K19 HydrophobicContact CE2-CD 4.31Å; F7-K19 HydrophobicContact CE2-CG 4.21Å; F7-K19 HydrophobicContact CZ-CD 4.17Å; Q15-K19 WeakPolarHBondContact O-CG 3.4Å; Q15-K19 PolarHBondContact O-N 3.26Å; Q16-K19 PolarHBondContact O-N 2.99Å; Y17-K19 VanDerWaalsContact C-N 3.29Å; Y17-K19 PolarHBondContact O-N 2.94Å
20L97.1Very high95.2Very high17 Ų1746.4 Ų46.49%0.08925%0.248CC..Hα-helixtrans-72.7-38.1178.4-69.8162.2000111.4Q16 Y17 A22 Q23 H24 L29 Y31 R108 V110Q16-L20 HydrophobicContact CG-CD1 4.28Å; Q16-L20 PolarHBondContact O-N 3.22Å; Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.1Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.93Å; L20-Q23 WeakPolarHBondContact O-CB 3.43Å; L20-Q23 PolarHBondContact O-N 2.91Å; L20-H24 PolarHBondContact O-CD2 2.88Å; L20-L29 HydrophobicContact CB-CD2 4.13Å; L20-Y31 HydrophobicContact CD1-CD2 4.46Å; L20-Y31 HydrophobicContact CD1-CE2 3.89Å; L20-R108 HydrophobicContact CD1-CB 4.05Å; L20-V110 HydrophobicContact CD2-CG2 4.48Å
21K97.8Very high95.6Very high30 Ų3045.8 Ų45.813%0.1325%0.245CC..Hα-helixtrans-64.8-35175-18060.4-171.7-176.80112Y17 L18 Q23 H24 P25 I27 L29 D43Y17-K21 HydrophobicContact CE1-CB 4.27Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 PolarHBondContact O-N 3.12Å; L18-K21 PolarHBondContact O-N 3.15Å; K21-Q23 PolarHBondContact O-N 3.44Å; K21-H24 PolarHBondContact NZ-O 3.06Å; K21-H24 CarbonylContact O-C 3.5Å; K21-H24 WeakPolarHBondContact O-CA 2.92Å; K21-H24 PolarHBondContact O-N 3.36Å; K21-P25 VanDerWaalsContact CE-O 3.28Å; K21-P25 WeakPolarHBondContact CE-O 3.31Å; K21-P25 PolarHBondContact NZ-O 3.48Å; K21-P25 VanDerWaalsContact NZ-O 3.13Å; K21-P25 WeakPolarHBondContact O-CA 3.42Å; K21-P25 VanDerWaalsContact O-N 3.17Å; K21-I27 PolarHBondContact NZ-O 2.97Å; K21-L29 HydrophobicContact CB-CD2 4.03Å; K21-L29 HydrophobicContact CD-CB 4.27Å; K21-D43 IonicContact NZ-OD1 3.93Å; K21-D43 PolarHBondContact NZ-OD1 2.96Å; K21-D43 IonicContact NZ-OD2 2.73Å; K21-D43 PolarHBondContact NZ-OD2 3.48Å
22A96.9Very high96Very high74 Ų7444.3 Ų44.361%0.61223%0.232SC*.Hα-helixtrans-64.2-23.2175.300000113.5L18 L20 H24L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.35Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.93Å; A22-H24 VanDerWaalsContact C-N 3.3Å
23Q96.1Very high96.1Very high122 Ų12241.8 Ų41.857%0.5721%0.214SC*.Hα-helixtrans-77.4-18.8171.4-62.3177.1-8.500112.4L20 K21 P25L20-Q23 WeakPolarHBondContact O-CB 3.43Å; L20-Q23 PolarHBondContact O-N 2.91Å; K21-Q23 PolarHBondContact O-N 3.44Å; Q23-P25 VanDerWaalsContact C-CD 3.5Å
24H96.5Very high96.1Very high13 Ų1342.3 Ų42.36%0.0623%0.228CC..SBendtrans-13557.3-176-57.6-63.3000110.9L20 K21 A22 E26 I27 A91 R249L20-H24 PolarHBondContact O-CD2 2.88Å; K21-H24 PolarHBondContact NZ-O 3.06Å; K21-H24 CarbonylContact O-C 3.5Å; K21-H24 WeakPolarHBondContact O-CA 2.92Å; K21-H24 PolarHBondContact O-N 3.36Å; A22-H24 VanDerWaalsContact C-N 3.3Å; H24-E26 PolarHBondContact O-N 3.09Å; H24-I27 HydrophobicContact CB-CD1 4.11Å; H24-I27 HydrophobicContact CB-CG1 3.76Å; H24-A91 HydrophobicContact CB-CB 4.33Å; H24-R249 PolarHBondContact CE1-NH2 3.4Å
25P95.8Very high96.1Very high77 Ų7747.1 Ų47.150%0.525%0.254SS..THydrogen-bonded Turntrans-63-40.2-166.822.5-32.3000112.9K21 Q23K21-P25 VanDerWaalsContact CE-O 3.28Å; K21-P25 WeakPolarHBondContact CE-O 3.31Å; K21-P25 PolarHBondContact NZ-O 3.48Å; K21-P25 VanDerWaalsContact NZ-O 3.13Å; K21-P25 WeakPolarHBondContact O-CA 3.42Å; K21-P25 VanDerWaalsContact O-N 3.17Å; Q23-P25 VanDerWaalsContact C-CD 3.5Å
26E95.2Very high96.3Very high153 Ų15349.6 Ų49.672%0.71526%0.264SS*.THydrogen-bonded Turntrans-92-10.6-170.2-58.5-53.5129.300114.9H24H24-E26 PolarHBondContact O-N 3.09Å
27I97.6Very high96.5Very high34 Ų3448.4 Ų48.417%0.17426%0.258CS..SBendtrans-116156.4-173.867.1169.6000111.5K21 H24 A91 I113K21-I27 PolarHBondContact NZ-O 2.97Å; H24-I27 HydrophobicContact CB-CD1 4.11Å; H24-I27 HydrophobicContact CB-CG1 3.76Å; I27-A91 HydrophobicContact CD1-CB 4.1Å; I27-I113 HydrophobicContact CD1-CG2 3.52Å
28L98.3Very high96.6Very high0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-65.5137.9179.9-64.3175.2000110.7L39 D43 R46 L50 L83 S89 V90 A91L28-L39 HydrophobicContact CB-CD2 4.08Å; L28-L39 HydrophobicContact CD2-CD2 4.09Å; L28-D43 HydrophobicContact CD2-CB 3.89Å; L28-R46 HydrophobicContact CD2-CB 4.2Å; L28-L50 HydrophobicContact CD1-CD1 4.4Å; L28-L83 HydrophobicContact CD1-CD1 4.1Å; L28-L83 HydrophobicContact CD1-CD2 3.75Å; L28-S89 PolarHBondContact N-O 3.42Å; L28-V90 HydrophobicContact CB-CG1 4.4Å; L28-V90 HydrophobicContact CB-CG2 4.42Å; L28-V90 CarbonylContact O-C 3.55Å; L28-V90 WeakPolarHBondContact O-CA 3.26Å; L28-A91 PolarHBondContact O-N 2.82Å
29L98.6Very high96.7Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-110.1109.6174.2179.861.6000111Y17 L20 K21 Y31 D43 A91 C93 V110Y17-L29 HydrophobicContact CD2-CD2 4Å; Y17-L29 HydrophobicContact CE2-CD2 3.67Å; Y17-L29 HydrophobicContact CE2-CG 4.26Å; L20-L29 HydrophobicContact CB-CD2 4.13Å; K21-L29 HydrophobicContact CB-CD2 4.03Å; K21-L29 HydrophobicContact CD-CB 4.27Å; L29-Y31 PolarHBondContact O-N 3.4Å; L29-D43 PolarHBondContact N-OD2 2.98Å; L29-A91 HydrophobicContact CD1-CB 3.69Å; L29-C93 HydrophobicContact CD1-CB 3.86Å; L29-V110 HydrophobicContact CD1-CG2 3.94Å
30F98.5Very high96.7Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-79.9104.9168.9-82.617000109.1Y37 L39 L51 I71 V76 L80 L83 V90 A91 I92 C93F30-Y37 HydrophobicContact CB-CD1 3.97Å; F30-Y37 HydrophobicContact CB-CG 4.09Å; F30-Y37 HydrophobicContact CD2-CD2 4.44Å; F30-Y37 HydrophobicContact CD2-CG 4.22Å; F30-Y37 HydrophobicContact CG-CG 4.46Å; F30-L39 HydrophobicContact CD1-CD1 3.81Å; F30-L39 HydrophobicContact CD1-CD2 3.77Å; F30-L39 HydrophobicContact CD1-CG 3.9Å; F30-L39 HydrophobicContact CE1-CD1 3.78Å; F30-L39 HydrophobicContact CE1-CD2 3.85Å; F30-L39 HydrophobicContact CE1-CG 4.2Å; F30-L51 HydrophobicContact CZ-CD1 4.38Å; F30-I71 HydrophobicContact CD2-CD1 4.25Å; F30-I71 HydrophobicContact CE2-CD1 3.5Å; F30-I71 HydrophobicContact CE2-CG1 4.49Å; F30-I71 HydrophobicContact CZ-CD1 3.84Å; F30-V76 HydrophobicContact CD2-CG2 3.96Å; F30-V76 HydrophobicContact CE2-CG2 3.98Å; F30-L80 HydrophobicContact CD2-CD2 4.46Å; F30-L80 HydrophobicContact CE2-CD2 4.01Å; F30-L80 HydrophobicContact CE2-CG 4.43Å; F30-L83 HydrophobicContact CE1-CD1 4.07Å; F30-L83 HydrophobicContact CZ-CD1 3.72Å; F30-V90 HydrophobicContact CB-CG1 4.07Å; F30-V90 HydrophobicContact CD1-CG1 3.45Å; F30-V90 VanDerWaalsContact CD1-CG1 3.45Å; F30-V90 HydrophobicContact CD2-CG1 3.9Å; F30-V90 HydrophobicContact CE1-CG1 3.77Å; F30-V90 HydrophobicContact CE2-CG1 4.17Å; F30-V90 HydrophobicContact CG-CG1 3.53Å; F30-V90 HydrophobicContact CZ-CG1 4.13Å; F30-A91 PolarHBondContact N-O 3.25Å; F30-I92 HydrophobicContact CB-CD1 4.02Å; F30-I92 HydrophobicContact CD2-CD1 3.92Å; F30-I92 HydrophobicContact CG-CD1 4.26Å; F30-C93 WeakPolarHBondContact O-CB 2.99Å; F30-C93 PolarHBondContact O-N 3.03Å
31Y98.2Very high96.7Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-101.4113-174-172.4-97.3000111.8M13 Q16 Y17 L20 L29 M33 E38 F40 C93 R108M13-Y31 HydrophobicContact CE-CD1 4.26Å; M13-Y31 HydrophobicContact CE-CE1 3.84Å; Q16-Y31 PolarHBondContact OE1-OH 3.42Å; Y17-Y31 HydrophobicContact CD2-CD1 4.45Å; Y17-Y31 AromaticContact CD2-CD2 3.75Å; Y17-Y31 HydrophobicContact CD2-CD2 3.75Å; Y17-Y31 HydrophobicContact CD2-CE2 4.21Å; Y17-Y31 AromaticContact CD2-CG 3.86Å; Y17-Y31 HydrophobicContact CD2-CG 3.86Å; L20-Y31 HydrophobicContact CD1-CD2 4.46Å; L20-Y31 HydrophobicContact CD1-CE2 3.89Å; L29-Y31 PolarHBondContact O-N 3.4Å; Y31-M33 HydrophobicContact CD1-CG 3.79Å; Y31-M33 HydrophobicContact CD1-SD 4.27Å; Y31-M33 HydrophobicContact CE1-CG 3.8Å; Y31-M33 HydrophobicContact CE1-SD 4.04Å; Y31-M33 PolarHBondContact O-N 3.41Å; Y31-E38 VanDerWaalsContact CB-O 3.26Å; Y31-E38 WeakPolarHBondContact CB-O 3.45Å; Y31-E38 PolarHBondContact N-O 2.72Å; Y31-E38 PolarHBondContact O-N 2.7Å; Y31-F40 HydrophobicContact CD1-CE2 4.17Å; Y31-C93 HydrophobicContact CD2-CB 4.23Å; Y31-R108 VanDerWaalsContact OH-CD 3.22Å; Y31-R108 WeakPolarHBondContact OH-CD 3.43Å; Y31-R108 PolarHBondContact OH-NE 2.64Å
32R97.3Very high96.7Very high35 Ų3545.6 Ų45.613%0.13225%0.247CC..EExtended strand (participates in β ladder)trans-69.3124.8-176.3-169.670.4178.6-109.11.1113.2G34 Y37 C93 E94 Q95 R108R32-G34 PolarHBondContact NE-O 2.77Å; R32-G34 PolarHBondContact NH2-O 3.11Å; R32-Y37 HydrophobicContact CB-CD1 4.14Å; R32-Y37 HydrophobicContact CB-CE1 4.08Å; R32-Y37 HydrophobicContact CG-CE1 4.44Å; R32-Y37 PolarHBondContact NH1-OH 2.67Å; R32-C93 WeakPolarHBondContact CB-O 3.39Å; R32-C93 PolarHBondContact N-O 3.44Å; R32-E94 WeakPolarHBondContact CG-OE2 3.42Å; R32-E94 IonicContact NH1-OE2 3.38Å; R32-E94 PolarHBondContact NH1-OE2 3.47Å; R32-Q95 HydrophobicContact CB-CG 4.35Å; R32-Q95 HydrophobicContact CG-CG 4.2Å; R32-R108 PolarHBondContact O-NE 2.81Å; R32-R108 PolarHBondContact O-NH2 2.79Å
33M93.9Very high96.7Very high26 Ų2642.5 Ų42.513%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-138.1101.5169.5-71.6-158.3-63.500111.5M13 Y31 D35 F36 E38 F40 R58M13-M33 HydrophobicContact CE-CE 3.61Å; M13-M33 HydrophobicContact CE-SD 3.24Å; M13-M33 WeakPolarHBondContact CE-SD 3.34Å; M13-M33 HydrophobicContact CG-SD 4.37Å; M13-M33 HydrophobicContact SD-SD 4.48Å; Y31-M33 HydrophobicContact CD1-CG 3.79Å; Y31-M33 HydrophobicContact CD1-SD 4.27Å; Y31-M33 HydrophobicContact CE1-CG 3.8Å; Y31-M33 HydrophobicContact CE1-SD 4.04Å; Y31-M33 PolarHBondContact O-N 3.41Å; M33-D35 PolarHBondContact O-N 3.38Å; M33-F36 PolarHBondContact N-O 3.03Å; M33-F36 PolarHBondContact O-N 3.12Å; M33-E38 HydrophobicContact CE-CB 3.92Å; M33-E38 HydrophobicContact CE-CG 3.87Å; M33-E38 WeakPolarHBondContact CE-OE1 3.39Å; M33-E38 WeakPolarHBondContact CE-OE2 3.29Å; M33-F40 HydrophobicContact CE-CE2 4.33Å; M33-F40 HydrophobicContact CE-CZ 3.63Å; M33-R58 PolarHBondContact SD-NH1 2.96Å; M33-R58 VanDerWaalsContact SD-NH1 3.39Å
34G91.6Very high96.8Very high45 Ų4536.7 Ų36.746%0.46419%0.193SC..THydrogen-bonded Turntrans62.2-121.3-177.100000110.2R32 F36R32-G34 PolarHBondContact NE-O 2.77Å; R32-G34 PolarHBondContact NH2-O 3.11Å; G34-F36 VanDerWaalsContact C-N 3.34Å
35D93.6Very high96.9Very high101 Ų10140.2 Ų40.254%0.5421%0.208SC..THydrogen-bonded Turntrans-90.19.1-179.7-74.1-24.2000114.5M33 P72 Y73M33-D35 PolarHBondContact O-N 3.38Å; D35-P72 CarbonylContact O-C 3.48Å; D35-P72 WeakPolarHBondContact O-CA 3.35Å; D35-Y73 HydrophobicContact CB-CD1 4.03Å; D35-Y73 HydrophobicContact CB-CE1 4.3Å; D35-Y73 WeakPolarHBondContact O-CD1 3.36Å; D35-Y73 PolarHBondContact O-N 3.23Å
36F97Very high97Very high96 Ų9640.8 Ų40.842%0.42120%0.2SC..EExtended strand (participates in β ladder)trans-123.4145.4-178.2-69.1-96.1000112.2M33 G34 E38 I71 P72M33-F36 PolarHBondContact N-O 3.03Å; M33-F36 PolarHBondContact O-N 3.12Å; G34-F36 VanDerWaalsContact C-N 3.34Å; F36-E38 HydrophobicContact CB-CG 4.15Å; F36-I71 WeakPolarHBondContact CA-O 3.45Å; F36-P72 HydrophobicContact CD1-CG 4.46Å; F36-P72 HydrophobicContact CE1-CB 4.48Å; F36-P72 HydrophobicContact CE1-CG 3.96Å
37Y98.3Very high97.1Very high13 Ų1333.5 Ų33.55%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-92.3122.7153.8-64-74.7000108F30 R32 G70 I71 V76 I92 E94F30-Y37 HydrophobicContact CB-CD1 3.97Å; F30-Y37 HydrophobicContact CB-CG 4.09Å; F30-Y37 HydrophobicContact CD2-CD2 4.44Å; F30-Y37 HydrophobicContact CD2-CG 4.22Å; F30-Y37 HydrophobicContact CG-CG 4.46Å; R32-Y37 HydrophobicContact CB-CD1 4.14Å; R32-Y37 HydrophobicContact CB-CE1 4.08Å; R32-Y37 HydrophobicContact CG-CE1 4.44Å; R32-Y37 PolarHBondContact NH1-OH 2.67Å; Y37-G70 CarbonylContact O-C 3.55Å; Y37-G70 WeakPolarHBondContact O-CA 3.34Å; Y37-I71 PolarHBondContact N-O 2.77Å; Y37-I71 PolarHBondContact O-N 3.18Å; Y37-V76 HydrophobicContact CD2-CB 4.03Å; Y37-V76 HydrophobicContact CD2-CG2 3.78Å; Y37-V76 HydrophobicContact CE2-CB 3.69Å; Y37-V76 HydrophobicContact CE2-CG1 4.18Å; Y37-V76 HydrophobicContact CE2-CG2 3.57Å; Y37-I92 HydrophobicContact CE1-CG2 3.95Å; Y37-E94 WeakPolarHBondContact CE1-OE1 3.34Å; Y37-E94 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E94 PolarHBondContact OH-OE1 3.31Å
38E98Very high97.1Very high16 Ų1633 Ų338%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-111.9150.6178.6-65.8-173.4-161.300110.9Y31 M33 F36 F40 R58 A69Y31-E38 VanDerWaalsContact CB-O 3.26Å; Y31-E38 WeakPolarHBondContact CB-O 3.45Å; Y31-E38 PolarHBondContact N-O 2.72Å; Y31-E38 PolarHBondContact O-N 2.7Å; M33-E38 HydrophobicContact CE-CB 3.92Å; M33-E38 HydrophobicContact CE-CG 3.87Å; M33-E38 WeakPolarHBondContact CE-OE1 3.39Å; M33-E38 WeakPolarHBondContact CE-OE2 3.29Å; F36-E38 HydrophobicContact CB-CG 4.15Å; E38-F40 HydrophobicContact CB-CE1 4.5Å; E38-F40 HydrophobicContact CB-CE2 4.23Å; E38-F40 HydrophobicContact CB-CZ 3.83Å; E38-F40 WeakPolarHBondContact OE2-CZ 3.18Å; E38-R58 IonicContact OE1-CZ 3.05Å; E38-R58 IonicContact OE1-NH2 3.07Å; E38-R58 PolarHBondContact OE1-NH2 3.22Å; E38-R58 IonicContact OE2-CZ 3.48Å; E38-R58 IonicContact OE2-NE 2.74Å; E38-R58 PolarHBondContact OE2-NE 2.98Å; E38-R58 IonicContact OE2-NH1 3.66Å; E38-R58 IonicContact OE2-NH2 3.83Å; E38-R58 PolarHBondContact OE2-NH2 3.03Å; E38-A69 CarbonylContact C-O 3.57Å; E38-A69 WeakPolarHBondContact CA-O 3.34Å
39L98.3Very high97Very high0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-123.7148173.4-57.295.7000108.2L28 F30 D43 A44 A47 M68 A69L28-L39 HydrophobicContact CB-CD2 4.08Å; L28-L39 HydrophobicContact CD2-CD2 4.09Å; F30-L39 HydrophobicContact CD1-CD1 3.81Å; F30-L39 HydrophobicContact CD1-CD2 3.77Å; F30-L39 HydrophobicContact CD1-CG 3.9Å; F30-L39 HydrophobicContact CE1-CD1 3.78Å; F30-L39 HydrophobicContact CE1-CD2 3.85Å; F30-L39 HydrophobicContact CE1-CG 4.2Å; L39-D43 HydrophobicContact CB-CB 4.04Å; L39-D43 HydrophobicContact CD2-CB 3.97Å; L39-A44 WeakPolarHBondContact O-CB 3.22Å; L39-A47 HydrophobicContact CD1-CB 4.09Å; L39-A47 HydrophobicContact CD2-CB 3.83Å; L39-A47 HydrophobicContact CG-CB 4.44Å; L39-M68 WeakPolarHBondContact O-CA 3.49Å; L39-A69 PolarHBondContact N-O 2.76Å; L39-A69 PolarHBondContact O-N 2.88Å; L39-A69 VanDerWaalsContact O-N 3.1Å
40F97.2Very high97Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-124.8163.2-177.7-58.6-71.5000112.5M13 M14 Y17 Y31 M33 E38 D42 D43 A44 I66 P67 M68M13-F40 HydrophobicContact CE-CE1 4.35Å; M13-F40 HydrophobicContact CE-CE2 3.54Å; M13-F40 HydrophobicContact CE-CZ 3.44Å; M13-F40 VanDerWaalsContact CE-CZ 3.44Å; M14-F40 HydrophobicContact CE-CD1 4.18Å; M14-F40 HydrophobicContact CE-CD2 3.74Å; M14-F40 HydrophobicContact CE-CE1 4.27Å; M14-F40 HydrophobicContact CE-CE2 3.85Å; M14-F40 HydrophobicContact CE-CG 3.93Å; M14-F40 HydrophobicContact CE-CZ 4.12Å; Y17-F40 HydrophobicContact CD1-CD2 4.08Å; Y17-F40 AromaticContact CD2-CD2 3.66Å; Y17-F40 HydrophobicContact CD2-CD2 3.66Å; Y17-F40 HydrophobicContact CD2-CE2 4.12Å; Y17-F40 HydrophobicContact CE1-CB 3.83Å; Y17-F40 AromaticContact CE1-CD2 3.99Å; Y17-F40 HydrophobicContact CE1-CD2 3.99Å; Y17-F40 HydrophobicContact CE1-CG 4.36Å; Y17-F40 HydrophobicContact CE2-CB 4.5Å; Y17-F40 AromaticContact CE2-CD2 3.55Å; Y17-F40 HydrophobicContact CE2-CD2 3.55Å; Y17-F40 HydrophobicContact CE2-CE2 4.31Å; Y17-F40 AromaticContact CG-CD2 3.93Å; Y17-F40 HydrophobicContact CG-CD2 3.93Å; Y17-F40 HydrophobicContact CG-CE2 4.47Å; Y17-F40 AromaticContact CZ-CD2 3.72Å; Y31-F40 HydrophobicContact CD1-CE2 4.17Å; M33-F40 HydrophobicContact CE-CE2 4.33Å; M33-F40 HydrophobicContact CE-CZ 3.63Å; E38-F40 HydrophobicContact CB-CE1 4.5Å; E38-F40 HydrophobicContact CB-CE2 4.23Å; E38-F40 HydrophobicContact CB-CZ 3.83Å; E38-F40 WeakPolarHBondContact OE2-CZ 3.18Å; F40-D42 PolarHBondContact O-N 2.91Å; F40-D43 WeakPolarHBondContact O-CB 3.36Å; F40-D43 PolarHBondContact O-N 2.94Å; F40-A44 PolarHBondContact O-N 2.92Å; F40-I66 HydrophobicContact CB-CG2 3.94Å; F40-I66 HydrophobicContact CD1-CG2 3.7Å; F40-I66 HydrophobicContact CG-CG2 4.14Å; F40-P67 CarbonylContact C-O 3.6Å; F40-P67 VanDerWaalsContact CA-O 3.24Å; F40-P67 WeakPolarHBondContact CA-O 3.35Å; F40-M68 HydrophobicContact CD1-CB 4.12Å; F40-M68 HydrophobicContact CD1-CG 4.04Å; F40-M68 HydrophobicContact CE1-CB 4.16Å; F40-M68 HydrophobicContact CE1-CG 3.65Å; F40-M68 HydrophobicContact CE1-SD 4Å
41Y96.1Very high96.9Very high54 Ų5443.1 Ų43.121%0.21221%0.214CC..Hα-helixtrans55.4-127.8174.2-55.8-77.8000112.3M14 Y17 L18 A44 K45 S61 I66 P67M14-Y41 HydrophobicContact SD-CE2 3.87Å; Y17-Y41 HydrophobicContact CD1-CE2 4.43Å; Y17-Y41 AromaticContact CE1-CD2 3.95Å; Y17-Y41 HydrophobicContact CE1-CD2 3.95Å; Y17-Y41 HydrophobicContact CE1-CE2 4.13Å; L18-Y41 HydrophobicContact CD2-CE2 4.14Å; Y41-A44 WeakPolarHBondContact O-CB 3.5Å; Y41-A44 PolarHBondContact O-N 2.94Å; Y41-K45 PolarHBondContact O-N 3.46Å; Y41-S61 WeakPolarHBondContact OH-CB 3.34Å; Y41-I66 HydrophobicContact CD1-CG2 4.34Å; Y41-I66 HydrophobicContact CD2-CG2 4.34Å; Y41-I66 HydrophobicContact CE1-CG2 4Å; Y41-I66 HydrophobicContact CE2-CG2 3.99Å; Y41-P67 PolarHBondContact N-O 3.5Å
42D96.9Very high96.8Very high99 Ų9950.3 Ų50.353%0.52925%0.252SS..Hα-helixtrans-73.4-26.9-177.5-63.2-51.4000113F40 A44 K45 R46F40-D42 PolarHBondContact O-N 2.91Å; D42-A44 VanDerWaalsContact C-N 3.28Å; D42-A44 PolarHBondContact O-N 2.96Å; D42-K45 PolarHBondContact O-N 3.45Å; D42-K45 IonicContact OD1-NZ 3.28Å; D42-K45 PolarHBondContact OD1-NZ 3.26Å; D42-R46 WeakPolarHBondContact O-CB 2.85Å; D42-R46 WeakPolarHBondContact O-CG 3.36Å; D42-R46 PolarHBondContact O-N 2.88Å
43D98.1Very high96.8Very high9 Ų949.6 Ų49.65%0.04825%0.251CS..Hα-helixtrans-61.3-40.6171-74.78.4000110.5K21 L28 L29 L39 F40 R46 A47K21-D43 IonicContact NZ-OD1 3.93Å; K21-D43 PolarHBondContact NZ-OD1 2.96Å; K21-D43 IonicContact NZ-OD2 2.73Å; K21-D43 PolarHBondContact NZ-OD2 3.48Å; L28-D43 HydrophobicContact CD2-CB 3.89Å; L29-D43 PolarHBondContact N-OD2 2.98Å; L39-D43 HydrophobicContact CB-CB 4.04Å; L39-D43 HydrophobicContact CD2-CB 3.97Å; F40-D43 WeakPolarHBondContact O-CB 3.36Å; F40-D43 PolarHBondContact O-N 2.94Å; D43-R46 PolarHBondContact O-N 3.25Å; D43-A47 WeakPolarHBondContact O-CB 3.18Å; D43-A47 PolarHBondContact O-N 3.39Å
44A97.9Very high97Very high0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-62.4-44176.900000112.3L39 F40 Y41 D42 S48 L55 P67 A69L39-A44 WeakPolarHBondContact O-CB 3.22Å; F40-A44 PolarHBondContact O-N 2.92Å; Y41-A44 WeakPolarHBondContact O-CB 3.5Å; Y41-A44 PolarHBondContact O-N 2.94Å; D42-A44 VanDerWaalsContact C-N 3.28Å; D42-A44 PolarHBondContact O-N 2.96Å; A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 3.41Å; A44-L55 HydrophobicContact CB-CD1 3.9Å; A44-P67 HydrophobicContact CB-CB 4.37Å; A44-A69 HydrophobicContact CB-CB 4.12Å
45K97.9Very high97.2Very high87 Ų8755.4 Ų55.438%0.37828%0.28SS..Hα-helixtrans-65.3-45.8179.2-62.5174.8-164.9156.40111.1Y41 D42 S48 Q49 L55Y41-K45 PolarHBondContact O-N 3.46Å; D42-K45 PolarHBondContact O-N 3.45Å; D42-K45 IonicContact OD1-NZ 3.28Å; D42-K45 PolarHBondContact OD1-NZ 3.26Å; K45-S48 PolarHBondContact O-N 3.29Å; K45-Q49 PolarHBondContact O-N 3.16Å; K45-L55 HydrophobicContact CG-CD1 4.38Å; K45-L55 HydrophobicContact CG-CD2 4.1Å
46R97.6Very high97.3Very high89 Ų8954 Ų5434%0.33628%0.275SS..Hα-helixtrans-62.2-49.8176.5-73.8178.365.9-168.4-2.1111L28 D42 D43 S48 Q49 L50 E88L28-R46 HydrophobicContact CD2-CB 4.2Å; D42-R46 WeakPolarHBondContact O-CB 2.85Å; D42-R46 WeakPolarHBondContact O-CG 3.36Å; D42-R46 PolarHBondContact O-N 2.88Å; D43-R46 PolarHBondContact O-N 3.25Å; R46-S48 VanDerWaalsContact C-N 3.31Å; R46-S48 PolarHBondContact O-N 3.47Å; R46-Q49 PolarHBondContact O-N 3.07Å; R46-L50 HydrophobicContact CB-CD1 4.42Å; R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.42Å; R46-L50 PolarHBondContact O-N 3.34Å; R46-E88 IonicContact CZ-OE1 3.32Å; R46-E88 VanDerWaalsContact NH2-CD 3.27Å; R46-E88 IonicContact NH2-OE1 2.71Å; R46-E88 PolarHBondContact NH2-OE1 3.32Å; R46-E88 IonicContact NH2-OE2 2.89Å; R46-E88 PolarHBondContact NH2-OE2 2.87Å
47A97.6Very high97.1Very high0 Ų056.5 Ų56.50%029%0.286CS..Hα-helixtrans-61.3-38.9179.100000112.4L39 D43 Q49 L50 L51L39-A47 HydrophobicContact CD1-CB 4.09Å; L39-A47 HydrophobicContact CD2-CB 3.83Å; L39-A47 HydrophobicContact CG-CB 4.44Å; D43-A47 WeakPolarHBondContact O-CB 3.18Å; D43-A47 PolarHBondContact O-N 3.39Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 3.48Å; A47-L50 PolarHBondContact O-N 3.36Å; A47-L51 HydrophobicContact CB-CD1 4.17Å; A47-L51 WeakPolarHBondContact O-CB 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 2.84Å
48S97.8Very high96.5Very high24 Ų2460 Ų6017%0.16830%0.299CS..Hα-helixtrans-55.8-45.1174.9177.80000112.3A44 K45 R46 D52 I53A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 3.41Å; K45-S48 PolarHBondContact O-N 3.29Å; R46-S48 VanDerWaalsContact C-N 3.31Å; R46-S48 PolarHBondContact O-N 3.47Å; S48-D52 WeakPolarHBondContact O-CA 3.44Å; S48-D52 PolarHBondContact O-N 3.46Å; S48-D52 VanDerWaalsContact O-N 3.14Å; S48-I53 WeakPolarHBondContact CA-O 3.23Å; S48-I53 WeakPolarHBondContact CB-O 3.49Å; S48-I53 PolarHBondContact O-N 3.44Å; S48-I53 PolarHBondContact OG-O 2.9Å
49Q97.5Very high95.9Very high165 Ų16562.2 Ų62.277%0.77133%0.327SS*.Hα-helixtrans-72.8-45.6179.1-65175.320.500112.5K45 R46 A47K45-Q49 PolarHBondContact O-N 3.16Å; R46-Q49 PolarHBondContact O-N 3.07Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 3.48Å
50L97.2Very high95Very high44 Ų4464.8 Ų64.823%0.2335%0.348CS..Hα-helixtrans-71.7-31.9-175.4-66.5169.4000113.1L28 R46 A47 L83 E88L28-L50 HydrophobicContact CD1-CD1 4.4Å; R46-L50 HydrophobicContact CB-CD1 4.42Å; R46-L50 WeakPolarHBondContact O-CB 3.45Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.42Å; R46-L50 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 3.36Å; L50-L83 HydrophobicContact CB-CD2 4.09Å; L50-L83 HydrophobicContact CD1-CD2 4.03Å; L50-E88 HydrophobicContact CD1-CG 4.11Å
51L97.2Very high94.1Very high2 Ų265.1 Ų65.11%0.0135%0.35CS..Hα-helixtrans-104.9-9.3-173.1-58.2-178.8000113.9F30 A47 I53 Y79 K82 L83F30-L51 HydrophobicContact CZ-CD1 4.38Å; A47-L51 HydrophobicContact CB-CD1 4.17Å; A47-L51 WeakPolarHBondContact O-CB 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 2.84Å; L51-I53 HydrophobicContact CB-CD1 4.3Å; L51-I53 HydrophobicContact CB-CG1 4.17Å; L51-I53 HydrophobicContact CB-CG2 4.05Å; L51-I53 HydrophobicContact CD1-CD1 4.07Å; L51-Y79 HydrophobicContact CB-CD1 3.91Å; L51-Y79 HydrophobicContact CB-CE1 4.18Å; L51-Y79 HydrophobicContact CD1-CD1 3.94Å; L51-Y79 HydrophobicContact CD1-CG 4.49Å; L51-Y79 HydrophobicContact CD2-CD1 3.95Å; L51-Y79 HydrophobicContact CG-CD1 4.15Å; L51-K82 HydrophobicContact CD2-CB 4.15Å; L51-K82 HydrophobicContact CD2-CD 4.49Å; L51-L83 HydrophobicContact CD1-CD1 4.31Å; L51-L83 HydrophobicContact CD2-CD1 3.96Å; L51-L83 HydrophobicContact CD2-CD2 3.7Å; L51-L83 HydrophobicContact CD2-CG 3.57Å; L51-L83 HydrophobicContact CG-CD2 4.28Å; L51-L83 HydrophobicContact CG-CG 4.48Å
52D96.5Very high93.2Very high151 Ų15163.8 Ų63.881%0.80735%0.35SS*.THydrogen-bonded Turntrans55.555.9-171.4-16933.6000111.7S48S48-D52 WeakPolarHBondContact O-CA 3.44Å; S48-D52 PolarHBondContact O-N 3.46Å; S48-D52 VanDerWaalsContact O-N 3.14Å
53I97.2Very high92.3Very high20 Ų2062.2 Ų62.210%0.10336%0.357CS..  trans-122.4151.1178.264.2177000110.7S48 L51 L55 A69 I71 Y79S48-I53 WeakPolarHBondContact CA-O 3.23Å; S48-I53 WeakPolarHBondContact CB-O 3.49Å; S48-I53 PolarHBondContact O-N 3.44Å; S48-I53 PolarHBondContact OG-O 2.9Å; L51-I53 HydrophobicContact CB-CD1 4.3Å; L51-I53 HydrophobicContact CB-CG1 4.17Å; L51-I53 HydrophobicContact CB-CG2 4.05Å; L51-I53 HydrophobicContact CD1-CD1 4.07Å; I53-L55 PolarHBondContact O-N 3.26Å; I53-A69 HydrophobicContact CD1-CB 3.87Å; I53-A69 HydrophobicContact CG1-CB 4.22Å; I53-I71 HydrophobicContact CD1-CG2 3.96Å; I53-I71 HydrophobicContact CG2-CG2 4.28Å; I53-Y79 HydrophobicContact CG2-CE1 3.69Å
54S96.8Very high91.7Very high107 Ų10767.7 Ų67.775%0.74838%0.383SS*.  trans-63124.8-177.2-55.10000112.2
55L97.5Very high91.4Very high86 Ų8670.6 Ų70.645%0.4540%0.402SS..  trans-79.3121.6165.3-175.764.7000109.3A44 K45 I53 P67A44-L55 HydrophobicContact CB-CD1 3.9Å; K45-L55 HydrophobicContact CG-CD1 4.38Å; K45-L55 HydrophobicContact CG-CD2 4.1Å; I53-L55 PolarHBondContact O-N 3.26Å; L55-P67 HydrophobicContact CD1-CB 4.31Å
56T95.7Very high91.2Very high72 Ų7266.8 Ų66.844%0.44239%0.385SS..EExtended strand (participates in β ladder)trans-124.6-170.9176.2-1750000109.8M68T56-M68 CarbonylContact C-O 3.51Å; T56-M68 HydrophobicContact CG2-CB 4.21Å; T56-M68 HydrophobicContact CG2-CE 3.36Å; T56-M68 VanDerWaalsContact CG2-O 3.3Å; T56-M68 WeakPolarHBondContact CG2-O 3.21Å; T56-M68 PolarHBondContact N-O 3.5Å; T56-M68 PolarHBondContact O-N 3.38Å
57K92.8Very high91.2Very high149 Ų14964 Ų6465%0.64838%0.379SS*.EExtended strand (participates in β ladder)trans-134.8142.4177.261.1-176.2179.6179.80111.2P65 I66K57-P65 HydrophobicContact CB-CB 4.36Å; K57-P65 HydrophobicContact CD-CB 4.12Å; K57-I66 CarbonylContact C-O 3.54Å; K57-I66 WeakPolarHBondContact CA-O 3.48Å
58R85.2Confident91.2Very high85 Ų8565.5 Ų65.532%0.32139%0.386SS..EExtended strand (participates in β ladder)trans-117.2118.1178.5176.3-176.7-81.6-133.9-4.4110.2M33 E38 I66 M68M33-R58 PolarHBondContact SD-NH1 2.96Å; M33-R58 VanDerWaalsContact SD-NH1 3.39Å; E38-R58 IonicContact OE1-CZ 3.05Å; E38-R58 IonicContact OE1-NH2 3.07Å; E38-R58 PolarHBondContact OE1-NH2 3.22Å; E38-R58 IonicContact OE2-CZ 3.48Å; E38-R58 IonicContact OE2-NE 2.74Å; E38-R58 PolarHBondContact OE2-NE 2.98Å; E38-R58 IonicContact OE2-NH1 3.66Å; E38-R58 IonicContact OE2-NH2 3.83Å; E38-R58 PolarHBondContact OE2-NH2 3.03Å; R58-I66 PolarHBondContact N-O 2.94Å; R58-I66 WeakPolarHBondContact O-CB 3.49Å; R58-I66 WeakPolarHBondContact O-CD1 3.24Å; R58-I66 WeakPolarHBondContact O-CG1 3.22Å; R58-I66 PolarHBondContact O-N 3.37Å; R58-M68 HydrophobicContact CB-CB 4.27Å; R58-M68 HydrophobicContact CB-SD 3.72Å; R58-M68 HydrophobicContact CG-SD 4.35Å; R58-M68 PolarHBondContact NE-SD 3.02Å
59G84.2Confident91.2Very high64 Ų6464.4 Ų64.466%0.6638%0.378SS*.EExtended strand (participates in β ladder)trans45.4-145.1171.700000113.6P65G59-P65 WeakPolarHBondContact O-CA 3.5Å
60A80.6Confident91.1Very high54 Ų5457.9 Ų57.945%0.44636%0.355SS..EExtended strand (participates in β ladder)trans-137.9149.716800000110.3E64A60-E64 CarbonylContact C-O 3.55Å; A60-E64 WeakPolarHBondContact CA-O 3.47Å; A60-E64 WeakPolarHBondContact CB-O 3.33Å
61S78Confident91.2Very high7 Ų755.8 Ų55.85%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-125.9124.7170.8-157.70000107.1H10 Y41 G63 E64H10-S61 PolarHBondContact ND1-OG 3.48Å; Y41-S61 WeakPolarHBondContact OH-CB 3.34Å; S61-G63 PolarHBondContact O-N 3.01Å; S61-G63 VanDerWaalsContact O-N 3.1Å; S61-E64 PolarHBondContact N-O 3.36Å; S61-E64 PolarHBondContact O-N 3.03Å
62A76.4Confident91.2Very high25 Ų2557.5 Ų57.521%0.20736%0.356CS..THydrogen-bonded Turntrans51.830.7-174.400000114.8A3 E5 A9A3-A62 HydrophobicContact CB-CB 4.16Å; A3-A62 WeakPolarHBondContact CB-O 3.4Å; E5-A62 HydrophobicContact CG-CB 4.42Å; A9-A62 HydrophobicContact CB-CB 3.95Å; A9-A62 PolarHBondContact O-N 2.93Å
63G78.3Confident91.1Very high66 Ų6652.9 Ų52.968%0.6833%0.327SS*.THydrogen-bonded Turntrans96-18176.400000115.7S61S61-G63 PolarHBondContact O-N 3.01Å; S61-G63 VanDerWaalsContact O-N 3.1Å
64E86.3Confident90.8Very high124 Ų12458 Ų5858%0.57935%0.351SS*.EExtended strand (participates in β ladder)trans-101.5142.2179.8-70.7-63.815600112.1A60 S61A60-E64 CarbonylContact C-O 3.55Å; A60-E64 WeakPolarHBondContact CA-O 3.47Å; A60-E64 WeakPolarHBondContact CB-O 3.33Å; S61-E64 PolarHBondContact N-O 3.36Å; S61-E64 PolarHBondContact O-N 3.03Å
65P91.1Very high90.7Very high62 Ų6253.8 Ų53.840%0.40332%0.322SS..EExtended strand (participates in β ladder)trans-62.5137.4173.9-19.631.6000112.1K57 G59 P67K57-P65 HydrophobicContact CB-CB 4.36Å; K57-P65 HydrophobicContact CD-CB 4.12Å; G59-P65 WeakPolarHBondContact O-CA 3.5Å; P65-P67 VanDerWaalsContact O-CD 3.31Å; P65-P67 WeakPolarHBondContact O-CD 3.48Å
66I94Very high90.7Very high7 Ų750.7 Ų50.74%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-88.1115.4-178.4-48.4165.7000108.9M14 F40 Y41 K57 R58 M68M14-I66 HydrophobicContact CE-CD1 4.47Å; M14-I66 HydrophobicContact CG-CD1 3.81Å; M14-I66 HydrophobicContact SD-CD1 3.79Å; M14-I66 HydrophobicContact SD-CG2 4.36Å; F40-I66 HydrophobicContact CB-CG2 3.94Å; F40-I66 HydrophobicContact CD1-CG2 3.7Å; F40-I66 HydrophobicContact CG-CG2 4.14Å; Y41-I66 HydrophobicContact CD1-CG2 4.34Å; Y41-I66 HydrophobicContact CD2-CG2 4.34Å; Y41-I66 HydrophobicContact CE1-CG2 4Å; Y41-I66 HydrophobicContact CE2-CG2 3.99Å; K57-I66 CarbonylContact C-O 3.54Å; K57-I66 WeakPolarHBondContact CA-O 3.48Å; R58-I66 PolarHBondContact N-O 2.94Å; R58-I66 WeakPolarHBondContact O-CB 3.49Å; R58-I66 WeakPolarHBondContact O-CD1 3.24Å; R58-I66 WeakPolarHBondContact O-CG1 3.22Å; R58-I66 PolarHBondContact O-N 3.37Å; I66-M68 PolarHBondContact O-N 3.15Å
67P96.7Very high90.5Very high30 Ų3049.7 Ų49.720%0.19530%0.297CS..EExtended strand (participates in β ladder)trans-58.8136.9170.3-20.232.8000110F40 Y41 A44 L55 P65F40-P67 CarbonylContact C-O 3.6Å; F40-P67 VanDerWaalsContact CA-O 3.24Å; F40-P67 WeakPolarHBondContact CA-O 3.35Å; Y41-P67 PolarHBondContact N-O 3.5Å; A44-P67 HydrophobicContact CB-CB 4.37Å; L55-P67 HydrophobicContact CD1-CB 4.31Å; P65-P67 VanDerWaalsContact O-CD 3.31Å; P65-P67 WeakPolarHBondContact O-CD 3.48Å
68M97.4Very high90.7Very high31 Ų3148.1 Ų48.115%0.15330%0.296CS..EExtended strand (participates in β ladder)trans-142.9139.3-174.3-176.5-171.686.500111.1L39 F40 T56 R58 I66L39-M68 WeakPolarHBondContact O-CA 3.49Å; F40-M68 HydrophobicContact CD1-CB 4.12Å; F40-M68 HydrophobicContact CD1-CG 4.04Å; F40-M68 HydrophobicContact CE1-CB 4.16Å; F40-M68 HydrophobicContact CE1-CG 3.65Å; F40-M68 HydrophobicContact CE1-SD 4Å; T56-M68 CarbonylContact C-O 3.51Å; T56-M68 HydrophobicContact CG2-CB 4.21Å; T56-M68 HydrophobicContact CG2-CE 3.36Å; T56-M68 VanDerWaalsContact CG2-O 3.3Å; T56-M68 WeakPolarHBondContact CG2-O 3.21Å; T56-M68 PolarHBondContact N-O 3.5Å; T56-M68 PolarHBondContact O-N 3.38Å; R58-M68 HydrophobicContact CB-CB 4.27Å; R58-M68 HydrophobicContact CB-SD 3.72Å; R58-M68 HydrophobicContact CG-SD 4.35Å; R58-M68 PolarHBondContact NE-SD 3.02Å; I66-M68 PolarHBondContact O-N 3.15Å
69A97.9Very high91.2Very high1 Ų146.6 Ų46.61%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-139.1158.416700000108.3E38 L39 A44 I53E38-A69 CarbonylContact C-O 3.57Å; E38-A69 WeakPolarHBondContact CA-O 3.34Å; L39-A69 PolarHBondContact N-O 2.76Å; L39-A69 PolarHBondContact O-N 2.88Å; L39-A69 VanDerWaalsContact O-N 3.1Å; A44-A69 HydrophobicContact CB-CB 4.12Å; I53-A69 HydrophobicContact CD1-CB 3.87Å; I53-A69 HydrophobicContact CG1-CB 4.22Å
70G97.3Very high91.8Very high28 Ų2843.7 Ų43.729%0.28926%0.26SS..EExtended strand (participates in β ladder)trans-167.1164.7-179.600000113.9Y37Y37-G70 CarbonylContact O-C 3.55Å; Y37-G70 WeakPolarHBondContact O-CA 3.34Å
71I97.8Very high92.5Very high1 Ų142.2 Ų42.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-134.6147.5-178.659.2173000109.9F30 F36 Y37 I53 V76 Y79F30-I71 HydrophobicContact CD2-CD1 4.25Å; F30-I71 HydrophobicContact CE2-CD1 3.5Å; F30-I71 HydrophobicContact CE2-CG1 4.49Å; F30-I71 HydrophobicContact CZ-CD1 3.84Å; F36-I71 WeakPolarHBondContact CA-O 3.45Å; Y37-I71 PolarHBondContact N-O 2.77Å; Y37-I71 PolarHBondContact O-N 3.18Å; I53-I71 HydrophobicContact CD1-CG2 3.96Å; I53-I71 HydrophobicContact CG2-CG2 4.28Å; I71-V76 HydrophobicContact CD1-CG2 4.43Å; I71-Y79 HydrophobicContact CB-CD2 3.9Å; I71-Y79 HydrophobicContact CB-CE2 3.83Å; I71-Y79 HydrophobicContact CB-CG 4.48Å; I71-Y79 HydrophobicContact CD1-CD2 3.54Å; I71-Y79 HydrophobicContact CD1-CE2 4.36Å; I71-Y79 HydrophobicContact CD1-CG 3.72Å; I71-Y79 HydrophobicContact CG1-CD2 4.31Å; I71-Y79 HydrophobicContact CG2-CD1 3.99Å; I71-Y79 HydrophobicContact CG2-CD2 3.71Å; I71-Y79 HydrophobicContact CG2-CE1 3.85Å; I71-Y79 HydrophobicContact CG2-CE2 3.56Å; I71-Y79 HydrophobicContact CG2-CG 3.91Å
72P97.3Very high93.3Very high38 Ų3846.5 Ų46.525%0.24727%0.266CS..EExtended strand (participates in β ladder)trans-62.3139.8172.2-20.532.3000111.2D35 F36 H74 A75D35-P72 CarbonylContact O-C 3.48Å; D35-P72 WeakPolarHBondContact O-CA 3.35Å; F36-P72 HydrophobicContact CD1-CG 4.46Å; F36-P72 HydrophobicContact CE1-CB 4.48Å; F36-P72 HydrophobicContact CE1-CG 3.96Å; P72-H74 VanDerWaalsContact C-N 3.26Å; P72-H74 VanDerWaalsContact CB-NE2 3.33Å; P72-H74 WeakPolarHBondContact CB-NE2 3.35Å; P72-H74 PolarHBondContact O-N 2.64Å; P72-A75 PolarHBondContact O-N 2.75Å
73Y94.6Very high94.3Very high53 Ų5345.3 Ų45.321%0.20826%0.256CS..G310 helixtrans-60.2-34.5-174.683.3-80000113.5D35 A75 V76 R420D35-Y73 HydrophobicContact CB-CD1 4.03Å; D35-Y73 HydrophobicContact CB-CE1 4.3Å; D35-Y73 WeakPolarHBondContact O-CD1 3.36Å; D35-Y73 PolarHBondContact O-N 3.23Å; Y73-A75 PolarHBondContact O-N 3.44Å; Y73-V76 WeakPolarHBondContact O-CB 3.2Å; Y73-V76 WeakPolarHBondContact O-CG1 3.29Å; Y73-V76 PolarHBondContact O-N 2.9Å; Y73-R420 PolarHBondContact OH-NH1 2.83Å
74H91.8Very high95.1Very high128 Ų12842.8 Ų42.859%0.59323%0.227SC*.G310 helixtrans-71.5-12.1179.362.471.2000113.1P72P72-H74 VanDerWaalsContact C-N 3.26Å; P72-H74 VanDerWaalsContact CB-NE2 3.33Å; P72-H74 WeakPolarHBondContact CB-NE2 3.35Å; P72-H74 PolarHBondContact O-N 2.64Å
75A94.6Very high95.4Very high18 Ų1843.1 Ų43.115%0.14923%0.233CC..G310 helixtrans-100.91.3177.300000112.9P72 Y73 E77 N78 Y79P72-A75 PolarHBondContact O-N 2.75Å; Y73-A75 PolarHBondContact O-N 3.44Å; A75-E77 VanDerWaalsContact C-N 3.3Å; A75-E77 PolarHBondContact O-N 3.48Å; A75-N78 PolarHBondContact O-N 2.82Å; A75-Y79 HydrophobicContact CB-CD2 4.28Å; A75-Y79 HydrophobicContact CB-CE2 3.98Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.5Å
76V96.1Very high95.6Very high22 Ų2245 Ų4513%0.13324%0.236CC..Hα-helixtrans-54.6-40.4-170.269.30000113.7F30 Y37 I71 Y73 N78 Y79 L80F30-V76 HydrophobicContact CD2-CG2 3.96Å; F30-V76 HydrophobicContact CE2-CG2 3.98Å; Y37-V76 HydrophobicContact CD2-CB 4.03Å; Y37-V76 HydrophobicContact CD2-CG2 3.78Å; Y37-V76 HydrophobicContact CE2-CB 3.69Å; Y37-V76 HydrophobicContact CE2-CG1 4.18Å; Y37-V76 HydrophobicContact CE2-CG2 3.57Å; I71-V76 HydrophobicContact CD1-CG2 4.43Å; Y73-V76 WeakPolarHBondContact O-CB 3.2Å; Y73-V76 WeakPolarHBondContact O-CG1 3.29Å; Y73-V76 PolarHBondContact O-N 2.9Å; V76-N78 VanDerWaalsContact C-N 3.34Å; V76-N78 PolarHBondContact O-N 3.36Å; V76-Y79 PolarHBondContact O-N 2.8Å; V76-Y79 VanDerWaalsContact O-N 3.16Å; V76-L80 HydrophobicContact CG2-CD1 3.86Å; V76-L80 HydrophobicContact CG2-CG 4.07Å; V76-L80 WeakPolarHBondContact O-CG 3.37Å; V76-L80 PolarHBondContact O-N 2.74Å
77E93.3Very high95.6Very high50 Ų5045.6 Ų45.623%0.23424%0.244CC..Hα-helixtrans-59.8-41.7-176.5-174.9164.5-136.300112.4A75 Y79 L80 A81 A123 R361A75-E77 VanDerWaalsContact C-N 3.3Å; A75-E77 PolarHBondContact O-N 3.48Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 2.79Å; E77-L80 PolarHBondContact O-N 3.31Å; E77-A81 PolarHBondContact O-N 3.48Å; E77-A123 HydrophobicContact CG-CB 3.95Å; E77-A123 WeakPolarHBondContact OE1-CB 3.5Å; E77-R361 VanDerWaalsContact CD-NH2 3.27Å; E77-R361 IonicContact OE1-CZ 2.64Å; E77-R361 IonicContact OE1-NH1 3.98Å; E77-R361 PolarHBondContact OE1-NH1 2.81Å; E77-R361 IonicContact OE1-NH2 2.81Å; E77-R361 PolarHBondContact OE1-NH2 2.76Å; E77-R361 IonicContact OE2-CZ 3.74Å; E77-R361 IonicContact OE2-NH1 3.23Å; E77-R361 PolarHBondContact OE2-NH1 3.25Å; E77-R361 IonicContact OE2-NH2 3.95Å; E77-R361 PolarHBondContact OE2-NH2 3.48Å
78N94.9Very high95.6Very high117 Ų11746.1 Ų46.163%0.62624%0.244SC*.Hα-helixtrans-64.5-38.3178.5-69.7-29.2000112.3A75 V76 K82A75-N78 PolarHBondContact O-N 2.82Å; V76-N78 VanDerWaalsContact C-N 3.34Å; V76-N78 PolarHBondContact O-N 3.36Å; N78-K82 PolarHBondContact O-N 3.21Å
79Y96.9Very high95.7Very high53 Ų5344.7 Ų44.721%0.20824%0.237CC..Hα-helixtrans-76.5-35178.8-69.6-78.8000111.9L51 I53 I71 A75 V76 E77 A81 K82 L83L51-Y79 HydrophobicContact CB-CD1 3.91Å; L51-Y79 HydrophobicContact CB-CE1 4.18Å; L51-Y79 HydrophobicContact CD1-CD1 3.94Å; L51-Y79 HydrophobicContact CD1-CG 4.49Å; L51-Y79 HydrophobicContact CD2-CD1 3.95Å; L51-Y79 HydrophobicContact CG-CD1 4.15Å; I53-Y79 HydrophobicContact CG2-CE1 3.69Å; I71-Y79 HydrophobicContact CB-CD2 3.9Å; I71-Y79 HydrophobicContact CB-CE2 3.83Å; I71-Y79 HydrophobicContact CB-CG 4.48Å; I71-Y79 HydrophobicContact CD1-CD2 3.54Å; I71-Y79 HydrophobicContact CD1-CE2 4.36Å; I71-Y79 HydrophobicContact CD1-CG 3.72Å; I71-Y79 HydrophobicContact CG1-CD2 4.31Å; I71-Y79 HydrophobicContact CG2-CD1 3.99Å; I71-Y79 HydrophobicContact CG2-CD2 3.71Å; I71-Y79 HydrophobicContact CG2-CE1 3.85Å; I71-Y79 HydrophobicContact CG2-CE2 3.56Å; I71-Y79 HydrophobicContact CG2-CG 3.91Å; A75-Y79 HydrophobicContact CB-CD2 4.28Å; A75-Y79 HydrophobicContact CB-CE2 3.98Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.5Å; V76-Y79 PolarHBondContact O-N 2.8Å; V76-Y79 VanDerWaalsContact O-N 3.16Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 2.79Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-K82 PolarHBondContact O-N 2.89Å; Y79-L83 WeakPolarHBondContact O-CG 3.35Å; Y79-L83 PolarHBondContact O-N 3.39Å; Y79-L83 VanDerWaalsContact O-N 3.11Å
80L97Very high95.7Very high2 Ų244.7 Ų44.71%0.0124%0.237CC..Hα-helixtrans-62.4-41.8172.3-71.1174.5000111.5F30 V76 E77 K82 L83 V84 V90 I92 V114 L124F30-L80 HydrophobicContact CD2-CD2 4.46Å; F30-L80 HydrophobicContact CE2-CD2 4.01Å; F30-L80 HydrophobicContact CE2-CG 4.43Å; V76-L80 HydrophobicContact CG2-CD1 3.86Å; V76-L80 HydrophobicContact CG2-CG 4.07Å; V76-L80 WeakPolarHBondContact O-CG 3.37Å; V76-L80 PolarHBondContact O-N 2.74Å; E77-L80 PolarHBondContact O-N 3.31Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 2.69Å; L80-L83 PolarHBondContact O-N 2.87Å; L80-L83 VanDerWaalsContact O-N 3.17Å; L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.25Å; L80-V90 HydrophobicContact CD2-CB 3.94Å; L80-V90 HydrophobicContact CD2-CG1 4.13Å; L80-V90 HydrophobicContact CD2-CG2 4.01Å; L80-I92 HydrophobicContact CD1-CD1 4.46Å; L80-I92 HydrophobicContact CD2-CD1 4.06Å; L80-V114 HydrophobicContact CD1-CG2 4.12Å; L80-V114 HydrophobicContact CD2-CB 4.27Å; L80-V114 HydrophobicContact CD2-CG1 4.4Å; L80-V114 HydrophobicContact CD2-CG2 4.21Å; L80-L124 HydrophobicContact CB-CD2 4.36Å
81A94.7Very high95.8Very high23 Ų2343.3 Ų43.319%0.1922%0.223CC..Hα-helixtrans-56.4-45.2174.400000112E77 Y79 L83 N85 L124E77-A81 PolarHBondContact O-N 3.48Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.49Å; A81-N85 WeakPolarHBondContact O-CB 3.42Å; A81-N85 PolarHBondContact O-N 2.92Å; A81-N85 VanDerWaalsContact O-N 3.12Å; A81-N85 PolarHBondContact O-ND2 3.39Å; A81-N85 VanDerWaalsContact O-ND2 3.12Å; A81-L124 VanDerWaalsContact CA-CD2 3.49Å; A81-L124 HydrophobicContact CB-CD2 3.65Å
82K95.8Very high95.8Very high98 Ų9843.4 Ų43.443%0.42622%0.223SC..Hα-helixtrans-60.6-42.4176.5-70.1-179.9178.3-1740112.5L51 N78 Y79 L80 Q86L51-K82 HydrophobicContact CD2-CB 4.15Å; L51-K82 HydrophobicContact CD2-CD 4.49Å; N78-K82 PolarHBondContact O-N 3.21Å; Y79-K82 PolarHBondContact O-N 2.89Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 2.69Å; K82-Q86 WeakPolarHBondContact O-CG 3.43Å; K82-Q86 PolarHBondContact O-NE2 2.98Å
83L97.2Very high95.8Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-71.7-46.5-177.8-70.2168000111.7L28 F30 L50 L51 Y79 L80 A81 N85 Q86 G87 E88 V90L28-L83 HydrophobicContact CD1-CD1 4.1Å; L28-L83 HydrophobicContact CD1-CD2 3.75Å; F30-L83 HydrophobicContact CE1-CD1 4.07Å; F30-L83 HydrophobicContact CZ-CD1 3.72Å; L50-L83 HydrophobicContact CB-CD2 4.09Å; L50-L83 HydrophobicContact CD1-CD2 4.03Å; L51-L83 HydrophobicContact CD1-CD1 4.31Å; L51-L83 HydrophobicContact CD2-CD1 3.96Å; L51-L83 HydrophobicContact CD2-CD2 3.7Å; L51-L83 HydrophobicContact CD2-CG 3.57Å; L51-L83 HydrophobicContact CG-CD2 4.28Å; L51-L83 HydrophobicContact CG-CG 4.48Å; Y79-L83 WeakPolarHBondContact O-CG 3.35Å; Y79-L83 PolarHBondContact O-N 3.39Å; Y79-L83 VanDerWaalsContact O-N 3.11Å; L80-L83 PolarHBondContact O-N 2.87Å; L80-L83 VanDerWaalsContact O-N 3.17Å; A81-L83 PolarHBondContact O-N 3.49Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.03Å; L83-Q86 CarbonylContact O-C 3.59Å; L83-Q86 WeakPolarHBondContact O-CA 3.4Å; L83-Q86 WeakPolarHBondContact O-CB 3.43Å; L83-Q86 PolarHBondContact O-N 2.9Å; L83-G87 PolarHBondContact O-N 2.73Å; L83-E88 HydrophobicContact CB-CB 4.04Å; L83-E88 HydrophobicContact CD2-CB 4.15Å; L83-E88 HydrophobicContact CD2-CG 4.36Å; L83-E88 WeakPolarHBondContact O-CB 3.19Å; L83-E88 PolarHBondContact O-N 3.01Å; L83-V90 HydrophobicContact CB-CG2 4.12Å; L83-V90 HydrophobicContact CD1-CG2 3.5Å; L83-V90 VanDerWaalsContact CD1-CG2 3.5Å; L83-V90 HydrophobicContact CG-CG2 4.38Å
84V95.5Very high95.9Very high12 Ų1241 Ų417%0.07321%0.211CC..Hα-helixtrans-62.6-40-179.5171.50000111.5L80 Q86 G87 V114 P116 I119L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.25Å; V84-Q86 PolarHBondContact O-N 2.94Å; V84-G87 PolarHBondContact O-N 3.42Å; V84-V114 HydrophobicContact CG2-CG1 3.61Å; V84-P116 HydrophobicContact CG1-CB 4.39Å; V84-I119 HydrophobicContact CG1-CD1 4.05Å; V84-I119 HydrophobicContact CG1-CG2 4.34Å; V84-I119 HydrophobicContact CG2-CG2 4.23Å
85N91.8Very high96.1Very high131 Ų13137.6 Ų37.670%0.70120%0.195SC*.Hα-helixtrans-61.7-23175-73.4-22.2000113.4A81 L83A81-N85 WeakPolarHBondContact O-CB 3.42Å; A81-N85 PolarHBondContact O-N 2.92Å; A81-N85 VanDerWaalsContact O-N 3.12Å; A81-N85 PolarHBondContact O-ND2 3.39Å; A81-N85 VanDerWaalsContact O-ND2 3.12Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.03Å
86Q94.4Very high96Very high102 Ų10240.7 Ų40.748%0.47721%0.208SC..THydrogen-bonded Turntrans-93.12.5175.5-66.5173.976.600112.6K82 L83 V84 E88K82-Q86 WeakPolarHBondContact O-CG 3.43Å; K82-Q86 PolarHBondContact O-NE2 2.98Å; L83-Q86 CarbonylContact O-C 3.59Å; L83-Q86 WeakPolarHBondContact O-CA 3.4Å; L83-Q86 WeakPolarHBondContact O-CB 3.43Å; L83-Q86 PolarHBondContact O-N 2.9Å; V84-Q86 PolarHBondContact O-N 2.94Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 HydrophobicContact CB-CG 4.39Å
87G94.8Very high95.3Very high20 Ų2040.8 Ų40.821%0.20621%0.214CC..THydrogen-bonded Turntrans79.310.2-178.100000114.5L83 V84 R197L83-G87 PolarHBondContact O-N 2.73Å; V84-G87 PolarHBondContact O-N 3.42Å; G87-R197 PolarHBondContact O-NH2 2.89Å
88E97.4Very high94.9Very high40 Ų4042.5 Ų42.519%0.18723%0.225CC..  trans-80.8145.1-179-68-74.4-168.500111.3R46 L50 L83 Q86R46-E88 IonicContact CZ-OE1 3.32Å; R46-E88 VanDerWaalsContact NH2-CD 3.27Å; R46-E88 IonicContact NH2-OE1 2.71Å; R46-E88 PolarHBondContact NH2-OE1 3.32Å; R46-E88 IonicContact NH2-OE2 2.89Å; R46-E88 PolarHBondContact NH2-OE2 2.87Å; L50-E88 HydrophobicContact CD1-CG 4.11Å; L83-E88 HydrophobicContact CB-CB 4.04Å; L83-E88 HydrophobicContact CD2-CB 4.15Å; L83-E88 HydrophobicContact CD2-CG 4.36Å; L83-E88 WeakPolarHBondContact O-CB 3.19Å; L83-E88 PolarHBondContact O-N 3.01Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 HydrophobicContact CB-CG 4.39Å
89S98.1Very high94.4Very high2 Ų240.7 Ų40.71%0.01422%0.219CC..  trans-109.3144.3175.7-64.30000110.7L28 V114 R197L28-S89 PolarHBondContact N-O 3.42Å; S89-V114 CarbonylContact C-O 3.54Å; S89-V114 VanDerWaalsContact CA-O 3.27Å; S89-V114 WeakPolarHBondContact CA-O 3.47Å; S89-R197 PolarHBondContact OG-NH2 3.21Å
90V98.5Very high93.8Very high0 Ų042.5 Ų42.50%025%0.245CC..EExtended strand (participates in β ladder)trans-135.3117.1-173.7-168.50000110.6L28 F30 L80 L83 I92 I113 V114L28-V90 HydrophobicContact CB-CG1 4.4Å; L28-V90 HydrophobicContact CB-CG2 4.42Å; L28-V90 CarbonylContact O-C 3.55Å; L28-V90 WeakPolarHBondContact O-CA 3.26Å; F30-V90 HydrophobicContact CB-CG1 4.07Å; F30-V90 HydrophobicContact CD1-CG1 3.45Å; F30-V90 VanDerWaalsContact CD1-CG1 3.45Å; F30-V90 HydrophobicContact CD2-CG1 3.9Å; F30-V90 HydrophobicContact CE1-CG1 3.77Å; F30-V90 HydrophobicContact CE2-CG1 4.17Å; F30-V90 HydrophobicContact CG-CG1 3.53Å; F30-V90 HydrophobicContact CZ-CG1 4.13Å; L80-V90 HydrophobicContact CD2-CB 3.94Å; L80-V90 HydrophobicContact CD2-CG1 4.13Å; L80-V90 HydrophobicContact CD2-CG2 4.01Å; L83-V90 HydrophobicContact CB-CG2 4.12Å; L83-V90 HydrophobicContact CD1-CG2 3.5Å; L83-V90 VanDerWaalsContact CD1-CG2 3.5Å; L83-V90 HydrophobicContact CG-CG2 4.38Å; V90-I92 HydrophobicContact CB-CD1 4.46Å; V90-I92 HydrophobicContact CG1-CD1 3.89Å; V90-I113 CarbonylContact O-C 3.54Å; V90-I113 WeakPolarHBondContact O-CA 3.42Å; V90-V114 PolarHBondContact N-O 3.24Å; V90-V114 PolarHBondContact O-N 3.43Å
91A98.6Very high93.3Very high0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans-77.9128.3168.800000109.9H24 I27 L28 L29 F30 V110 I113H24-A91 HydrophobicContact CB-CB 4.33Å; I27-A91 HydrophobicContact CD1-CB 4.1Å; L28-A91 PolarHBondContact O-N 2.82Å; L29-A91 HydrophobicContact CD1-CB 3.69Å; F30-A91 PolarHBondContact N-O 3.25Å; A91-V110 HydrophobicContact CB-CG1 4.01Å; A91-V110 HydrophobicContact CB-CG2 4.32Å; A91-I113 HydrophobicContact CB-CG1 4.49Å
92I98.3Very high92.7Very high2 Ų248.7 Ų48.71%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-101.6109.1179.6-49.7-58000109F30 Y37 L80 V90 E94 V110 V111 R112 V114F30-I92 HydrophobicContact CB-CD1 4.02Å; F30-I92 HydrophobicContact CD2-CD1 3.92Å; F30-I92 HydrophobicContact CG-CD1 4.26Å; Y37-I92 HydrophobicContact CE1-CG2 3.95Å; L80-I92 HydrophobicContact CD1-CD1 4.46Å; L80-I92 HydrophobicContact CD2-CD1 4.06Å; V90-I92 HydrophobicContact CB-CD1 4.46Å; V90-I92 HydrophobicContact CG1-CD1 3.89Å; I92-E94 HydrophobicContact CG2-CG 4.39Å; I92-V110 CarbonylContact O-C 3.52Å; I92-V110 VanDerWaalsContact O-CA 3.28Å; I92-V110 WeakPolarHBondContact O-CA 3.06Å; I92-V111 HydrophobicContact CG2-CG2 4.38Å; I92-V111 PolarHBondContact O-N 3Å; I92-R112 HydrophobicContact CB-CG 3.96Å; I92-R112 HydrophobicContact CG1-CG 3.83Å; I92-R112 PolarHBondContact N-O 3.24Å; I92-V114 HydrophobicContact CD1-CG2 4.38Å; I92-V114 HydrophobicContact CG1-CG2 4.06Å
93C98.2Very high92Very high0 Ų054.9 Ų54.90%031%0.31CS..EExtended strand (participates in β ladder)trans-102122.81791740000110.8L29 F30 Y31 R32 K109 V110L29-C93 HydrophobicContact CD1-CB 3.86Å; F30-C93 WeakPolarHBondContact O-CB 2.99Å; F30-C93 PolarHBondContact O-N 3.03Å; Y31-C93 HydrophobicContact CD2-CB 4.23Å; R32-C93 WeakPolarHBondContact CB-O 3.39Å; R32-C93 PolarHBondContact N-O 3.44Å; C93-K109 WeakPolarHBondContact CA-O 3.21Å; C93-V110 HydrophobicContact CB-CG2 4.01Å
94E96.9Very high91.5Very high40 Ų4057.1 Ų57.119%0.18733%0.333CS..EExtended strand (participates in β ladder)trans-114.4159.7-176.6-64.4-67.2176.900112.1R32 Y37 I92 R108 K109 V111R32-E94 WeakPolarHBondContact CG-OE2 3.42Å; R32-E94 IonicContact NH1-OE2 3.38Å; R32-E94 PolarHBondContact NH1-OE2 3.47Å; Y37-E94 WeakPolarHBondContact CE1-OE1 3.34Å; Y37-E94 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E94 PolarHBondContact OH-OE1 3.31Å; I92-E94 HydrophobicContact CG2-CG 4.39Å; E94-R108 WeakPolarHBondContact O-CA 3.35Å; E94-K109 PolarHBondContact N-O 2.86Å; E94-K109 PolarHBondContact O-N 3.38Å; E94-K109 VanDerWaalsContact O-N 3.15Å; E94-V111 HydrophobicContact CB-CG1 4Å; E94-V111 HydrophobicContact CB-CG2 4.33Å; E94-V111 HydrophobicContact CG-CB 4.5Å; E94-V111 HydrophobicContact CG-CG1 4.12Å; E94-V111 HydrophobicContact CG-CG2 3.55Å
95Q94.7Very high91.1Very high57 Ų5759.2 Ų59.227%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-82.4119.9170.8-64.5179.5-124.500109.1R32 V106 R108R32-Q95 HydrophobicContact CB-CG 4.35Å; R32-Q95 HydrophobicContact CG-CG 4.2Å; Q95-V106 HydrophobicContact CB-CG1 4.27Å; Q95-R108 HydrophobicContact CG-CG 4.28Å
96I92.2Very high91.1Very high83 Ų8353.6 Ų53.643%0.42632%0.317SS..  trans-97.3-40.4-178.5-52.9-57.5000111.1E107 K109 V111I96-E107 PolarHBondContact N-O 2.87Å; I96-K109 HydrophobicContact CD1-CB 4.2Å; I96-K109 HydrophobicContact CG1-CB 3.87Å; I96-K109 HydrophobicContact CG1-CD 4.14Å; I96-K109 HydrophobicContact CG1-CG 3.95Å; I96-V111 HydrophobicContact CD1-CG1 4.08Å
97G82.9Confident91.1Very high24 Ų2453.3 Ų53.325%0.24732%0.315CS..SBendtrans-80.216418000000113.5V106 E107G97-V106 VanDerWaalsContact C-CG1 3.43Å; G97-V106 WeakPolarHBondContact O-CG1 3.29Å; G97-E107 PolarHBondContact N-O 2.82Å
98D85.2Confident91.1Very high87 Ų8753.7 Ų53.747%0.46531%0.311SS..  trans-80.2123.2169.1177.15.4000110.1A100 T101 S102D98-A100 PolarHBondContact O-N 2.87Å; D98-A100 WeakPolarHBondContact OD1-CB 3.18Å; D98-A100 PolarHBondContact OD1-N 2.76Å; D98-T101 PolarHBondContact O-N 3Å; D98-T101 PolarHBondContact O-OG1 2.83Å; D98-S102 PolarHBondContact O-N 3.36Å; D98-S102 PolarHBondContact O-OG 3.32Å
99P82.8Confident91.1Very high79 Ų7956.6 Ų56.651%0.51332%0.323SS..G310 helixtrans-53.3-33.7172.9-22.230.5000114.5T101 S102 V106P99-T101 VanDerWaalsContact C-N 3.3Å; P99-T101 PolarHBondContact O-N 3.4Å; P99-S102 PolarHBondContact O-N 3.06Å; P99-V106 HydrophobicContact CB-CG2 3.95Å; P99-V106 HydrophobicContact CG-CG2 3.99Å
100A85.3Confident91.1Very high90 Ų9056.8 Ų56.874%0.74432%0.324SS*.G310 helixtrans-71-24.8-175.400000113.3D98D98-A100 PolarHBondContact O-N 2.87Å; D98-A100 WeakPolarHBondContact OD1-CB 3.18Å; D98-A100 PolarHBondContact OD1-N 2.76Å
101T85.5Confident91Very high113 Ų11359.3 Ų59.369%0.69334%0.339SS*.G310 helixtrans-101.50.5-17959.30000113.2D98 P99D98-T101 PolarHBondContact O-N 3Å; D98-T101 PolarHBondContact O-OG1 2.83Å; P99-T101 VanDerWaalsContact C-N 3.3Å; P99-T101 PolarHBondContact O-N 3.4Å
102S82Confident90.9Very high43 Ų4362.7 Ų62.730%0.30135%0.352SS..  trans-100.3121.4-175.1-63.30000111.8D98 P99 G104D98-S102 PolarHBondContact O-N 3.36Å; D98-S102 PolarHBondContact O-OG 3.32Å; P99-S102 PolarHBondContact O-N 3.06Å; S102-G104 VanDerWaalsContact C-N 3.31Å; S102-G104 PolarHBondContact O-N 3.18Å
103K82.1Confident90.9Very high228 Ų22862.9 Ų62.999%0.99135%0.353SS*.SBendtrans-70.7-25.5175.2-172.2176.9178.5-178.40113.3
104G86.7Confident90.9Very high47 Ų4763.2 Ų63.249%0.48536%0.355SS..SBendtrans-129-157.4-178.900000111.8S102 V106S102-G104 VanDerWaalsContact C-N 3.31Å; S102-G104 PolarHBondContact O-N 3.18Å; G104-V106 PolarHBondContact O-N 3.32Å
105P86.5Confident91Very high56 Ų5661.3 Ų61.336%0.36435%0.346SS..SBendtrans-54.2128.1172.7-21.832.1000110.7P12P12-P105 HydrophobicContact CB-CG 3.75Å
106V92.2Very high91.1Very high12 Ų1259 Ų597%0.07334%0.335CS..PPolyproline II helixtrans-51.9144.5174.6-179.60000110.7Q16 Q95 G97 P99 G104 R108Q16-V106 PolarHBondContact NE2-O 3.25Å; Q16-V106 PolarHBondContact OE1-O 2.7Å; Q95-V106 HydrophobicContact CB-CG1 4.27Å; G97-V106 VanDerWaalsContact C-CG1 3.43Å; G97-V106 WeakPolarHBondContact O-CG1 3.29Å; P99-V106 HydrophobicContact CB-CG2 3.95Å; P99-V106 HydrophobicContact CG-CG2 3.99Å; G104-V106 PolarHBondContact O-N 3.32Å; V106-R108 PolarHBondContact O-N 3.38Å; V106-R108 PolarHBondContact O-NH1 2.81Å
107E93.7Very high91.4Very high97 Ų9755 Ų5545%0.45332%0.315SS..PPolyproline II helixtrans-55.5133.2173.3-172.2-174.7-178.200110.3I96 G97 K109I96-E107 PolarHBondContact N-O 2.87Å; G97-E107 PolarHBondContact N-O 2.82Å; E107-K109 WeakPolarHBondContact OE1-CE 3.45Å; E107-K109 IonicContact OE1-NZ 3.97Å; E107-K109 PolarHBondContact OE1-NZ 3.14Å
108R96.4Very high92.1Very high27 Ų2754 Ų5410%0.10231%0.305CS..EExtended strand (participates in β ladder)trans-130.5140.4-179.3-78.3-177.418077.16.8111L20 Y31 R32 E94 Q95 V106L20-R108 HydrophobicContact CD1-CB 4.05Å; Y31-R108 VanDerWaalsContact OH-CD 3.22Å; Y31-R108 WeakPolarHBondContact OH-CD 3.43Å; Y31-R108 PolarHBondContact OH-NE 2.64Å; R32-R108 PolarHBondContact O-NE 2.81Å; R32-R108 PolarHBondContact O-NH2 2.79Å; E94-R108 WeakPolarHBondContact O-CA 3.35Å; Q95-R108 HydrophobicContact CG-CG 4.28Å; V106-R108 PolarHBondContact O-N 3.38Å; V106-R108 PolarHBondContact O-NH1 2.81Å
109K96.9Very high92.7Very high102 Ų10250.2 Ų50.244%0.44328%0.284SS..EExtended strand (participates in β ladder)trans-135.5144.5177.1-70-179176.7144.50110C93 E94 I96 E107 V111C93-K109 WeakPolarHBondContact CA-O 3.21Å; E94-K109 PolarHBondContact N-O 2.86Å; E94-K109 PolarHBondContact O-N 3.38Å; E94-K109 VanDerWaalsContact O-N 3.15Å; I96-K109 HydrophobicContact CD1-CB 4.2Å; I96-K109 HydrophobicContact CG1-CB 3.87Å; I96-K109 HydrophobicContact CG1-CD 4.14Å; I96-K109 HydrophobicContact CG1-CG 3.95Å; E107-K109 WeakPolarHBondContact OE1-CE 3.45Å; E107-K109 IonicContact OE1-NZ 3.97Å; E107-K109 PolarHBondContact OE1-NZ 3.14Å; K109-V111 PolarHBondContact O-N 2.85Å
110V97.7Very high93.3Very high5 Ų546.7 Ų46.73%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-72.2115.2162.7172.30000107.3L20 L29 A91 I92 C93 I113 R249L20-V110 HydrophobicContact CD2-CG2 4.48Å; L29-V110 HydrophobicContact CD1-CG2 3.94Å; A91-V110 HydrophobicContact CB-CG1 4.01Å; A91-V110 HydrophobicContact CB-CG2 4.32Å; I92-V110 CarbonylContact O-C 3.52Å; I92-V110 VanDerWaalsContact O-CA 3.28Å; I92-V110 WeakPolarHBondContact O-CA 3.06Å; C93-V110 HydrophobicContact CB-CG2 4.01Å; V110-I113 HydrophobicContact CG1-CG1 4.06Å; V110-R249 WeakPolarHBondContact O-CD 3.34Å; V110-R249 PolarHBondContact O-NH1 3.08Å
111V96.9Very high93.7Very high54 Ų5443 Ų4333%0.32723%0.229SC..EExtended strand (participates in β ladder)trans-95.2-23.9-174.4-63.40000112.5I92 E94 I96 K109I92-V111 HydrophobicContact CG2-CG2 4.38Å; I92-V111 PolarHBondContact O-N 3Å; E94-V111 HydrophobicContact CB-CG1 4Å; E94-V111 HydrophobicContact CB-CG2 4.33Å; E94-V111 HydrophobicContact CG-CB 4.5Å; E94-V111 HydrophobicContact CG-CG1 4.12Å; E94-V111 HydrophobicContact CG-CG2 3.55Å; I96-V111 HydrophobicContact CD1-CG1 4.08Å; K109-V111 PolarHBondContact O-N 2.85Å
112R97Very high94Very high70 Ų7041.5 Ų41.526%0.26421%0.214SC..EExtended strand (participates in β ladder)trans-159160.5172.467.3-179.6-176.6164.73.8110.5I92 D121 T247I92-R112 HydrophobicContact CB-CG 3.96Å; I92-R112 HydrophobicContact CG1-CG 3.83Å; I92-R112 PolarHBondContact N-O 3.24Å; R112-D121 IonicContact CZ-OD2 3.48Å; R112-D121 IonicContact NH1-OD2 3.61Å; R112-D121 PolarHBondContact NH1-OD2 3.31Å; R112-T247 CarbonylContact C-O 3.54Å; R112-T247 VanDerWaalsContact CA-O 3.3Å; R112-T247 WeakPolarHBondContact CA-O 3.39Å
113I98.3Very high94.5Very high7 Ų742.5 Ų42.54%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-122.8114.6172.4-46.7171.7000107.1I27 V90 A91 V110 T115 D246 T247I27-I113 HydrophobicContact CD1-CG2 3.52Å; V90-I113 CarbonylContact O-C 3.54Å; V90-I113 WeakPolarHBondContact O-CA 3.42Å; A91-I113 HydrophobicContact CB-CG1 4.49Å; V110-I113 HydrophobicContact CG1-CG1 4.06Å; I113-T115 HydrophobicContact CB-CG2 4.47Å; I113-T115 HydrophobicContact CG2-CG2 3.82Å; I113-T115 PolarHBondContact O-N 2.94Å; I113-D246 WeakPolarHBondContact CD1-OD2 3.16Å; I113-T247 HydrophobicContact CB-CG2 4.18Å; I113-T247 PolarHBondContact N-O 3.38Å; I113-T247 WeakPolarHBondContact O-CB 3.28Å
114V97.9Very high95Very high7 Ų732.3 Ų32.34%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-82.5114.3179.1-177.60000108L80 V84 S89 V90 I92 I119 L124L80-V114 HydrophobicContact CD1-CG2 4.12Å; L80-V114 HydrophobicContact CD2-CB 4.27Å; L80-V114 HydrophobicContact CD2-CG1 4.4Å; L80-V114 HydrophobicContact CD2-CG2 4.21Å; V84-V114 HydrophobicContact CG2-CG1 3.61Å; S89-V114 CarbonylContact C-O 3.54Å; S89-V114 VanDerWaalsContact CA-O 3.27Å; S89-V114 WeakPolarHBondContact CA-O 3.47Å; V90-V114 PolarHBondContact N-O 3.24Å; V90-V114 PolarHBondContact O-N 3.43Å; I92-V114 HydrophobicContact CD1-CG2 4.38Å; I92-V114 HydrophobicContact CG1-CG2 4.06Å; V114-I119 HydrophobicContact CG1-CG2 3.81Å; V114-L124 HydrophobicContact CG1-CD1 4.33Å
115T98.2Very high95.4Very high0 Ų031 Ų310%016%0.163CC..  trans-128.215417978.40000110.6I113 G117 T118 I119 E177 Y243 T247I113-T115 HydrophobicContact CB-CG2 4.47Å; I113-T115 HydrophobicContact CG2-CG2 3.82Å; I113-T115 PolarHBondContact O-N 2.94Å; T115-G117 PolarHBondContact O-N 3.46Å; T115-G117 VanDerWaalsContact O-N 3.09Å; T115-T118 PolarHBondContact N-OG1 2.97Å; T115-T118 PolarHBondContact O-N 3.48Å; T115-T118 PolarHBondContact O-OG1 3.02Å; T115-T118 WeakPolarHBondContact OG1-CB 3.11Å; T115-T118 VanDerWaalsContact OG1-CG2 3.29Å; T115-T118 WeakPolarHBondContact OG1-CG2 3.46Å; T115-T118 PolarHBondContact OG1-OG1 3.21Å; T115-I119 PolarHBondContact O-N 3.06Å; T115-E177 WeakPolarHBondContact CB-OE1 3.19Å; T115-E177 WeakPolarHBondContact CB-OE2 3.45Å; T115-E177 PolarHBondContact OG1-OE2 3.17Å; T115-Y243 HydrophobicContact CG2-CE1 4.31Å; T115-T247 HydrophobicContact CG2-CG2 3.72Å
116P97.2Very high95.8Very high7 Ų733.9 Ų33.95%0.04517%0.172CC..THydrogen-bonded Turntrans-56.4-30.9-173.2-27.134.8000115V84 N131 E177V84-P116 HydrophobicContact CG1-CB 4.39Å; P116-N131 PolarHBondContact O-ND2 2.83Å; P116-E177 HydrophobicContact CB-CB 4.44Å
117G97.7Very high95.9Very high0 Ų038.7 Ų38.70%019%0.194CC..THydrogen-bonded Turntrans-90.3-7.8178.400000115.1T115 E177T115-G117 PolarHBondContact O-N 3.46Å; T115-G117 VanDerWaalsContact O-N 3.09Å; G117-E177 WeakPolarHBondContact CA-OE2 3.5Å; G117-E177 PolarHBondContact N-OE2 3.07Å
118T98Very high96.1Very high4 Ų438.1 Ų38.13%0.02519%0.187CC..THydrogen-bonded Turntrans-117.811.5-170.767.80000114.3T115 L133 I150 Y243 T247 Q248T115-T118 PolarHBondContact N-OG1 2.97Å; T115-T118 PolarHBondContact O-N 3.48Å; T115-T118 PolarHBondContact O-OG1 3.02Å; T115-T118 WeakPolarHBondContact OG1-CB 3.11Å; T115-T118 VanDerWaalsContact OG1-CG2 3.29Å; T115-T118 WeakPolarHBondContact OG1-CG2 3.46Å; T115-T118 PolarHBondContact OG1-OG1 3.21Å; T118-L133 HydrophobicContact CG2-CD2 4.01Å; T118-I150 HydrophobicContact CG2-CD1 4.36Å; T118-Y243 HydrophobicContact CG2-CD1 4.17Å; T118-Y243 HydrophobicContact CG2-CE1 4.12Å; T118-T247 HydrophobicContact CG2-CG2 4.1Å; T118-T247 WeakPolarHBondContact CG2-OG1 3.42Å; T118-Q248 PolarHBondContact O-NE2 3.08Å; T118-Q248 VanDerWaalsContact O-NE2 3.1Å
119I97.1Very high96.1Very high7 Ų741.8 Ų41.84%0.03621%0.206CC..  trans-74.4134.1174.448.6162000112.4V84 V114 T115 L124 L125 I150V84-I119 HydrophobicContact CG1-CD1 4.05Å; V84-I119 HydrophobicContact CG1-CG2 4.34Å; V84-I119 HydrophobicContact CG2-CG2 4.23Å; V114-I119 HydrophobicContact CG1-CG2 3.81Å; T115-I119 PolarHBondContact O-N 3.06Å; I119-L124 HydrophobicContact CB-CB 4.16Å; I119-L124 HydrophobicContact CB-CD1 4.3Å; I119-L124 HydrophobicContact CD1-CB 3.84Å; I119-L124 WeakPolarHBondContact CD1-O 3.35Å; I119-L124 HydrophobicContact CG2-CB 4.16Å; I119-L124 HydrophobicContact CG2-CD1 3.65Å; I119-L125 HydrophobicContact CD1-CD2 3.57Å; I119-L125 HydrophobicContact CD1-CG 3.98Å; I119-L125 HydrophobicContact CG1-CD2 3.82Å; I119-L125 HydrophobicContact CG1-CG 4.31Å; I119-I150 WeakPolarHBondContact O-CG2 3.3Å
120S96Very high96.1Very high5 Ų539 Ų394%0.03520%0.195CC..  trans-123.8-14.6174.460.30000113.3R354 L357S120-R354 PolarHBondContact O-NH1 3.23Å; S120-L357 WeakPolarHBondContact OG-CD1 3.49Å
121D93Very high96.1Very high13 Ų1340.3 Ų40.37%0.0720%0.202CC..  trans-63129.9176.5-74.7-57.3000110.4R112 A123 L124 L125 R361R112-D121 IonicContact CZ-OD2 3.48Å; R112-D121 IonicContact NH1-OD2 3.61Å; R112-D121 PolarHBondContact NH1-OD2 3.31Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 3.04Å; D121-L124 HydrophobicContact CB-CD1 3.99Å; D121-L124 HydrophobicContact CB-CG 4Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-L124 VanDerWaalsContact O-N 3.1Å; D121-L125 PolarHBondContact O-N 2.74Å; D121-R361 IonicContact OD1-NH2 3.3Å
122E93.2Very high96.2Very high80 Ų8038.4 Ų38.437%0.37419%0.19SC..G310 helixtrans-57.5-40.1-176.1-178.9175-15100112.7L124 L125 R367E122-L124 PolarHBondContact O-N 2.79Å; E122-L125 PolarHBondContact O-N 2.73Å; E122-R367 IonicContact OE1-CZ 2.62Å; E122-R367 IonicContact OE1-NH1 2.97Å; E122-R367 PolarHBondContact OE1-NH1 2.87Å; E122-R367 IonicContact OE1-NH2 2.73Å; E122-R367 PolarHBondContact OE1-NH2 2.56Å; E122-R367 IonicContact OE2-CZ 2.73Å; E122-R367 IonicContact OE2-NH1 3.32Å; E122-R367 PolarHBondContact OE2-NH1 2.74Å; E122-R367 IonicContact OE2-NH2 3.41Å; E122-R367 PolarHBondContact OE2-NH2 3.23Å
123A92.1Very high96.3Very high64 Ų6435.1 Ų35.153%0.52918%0.178SC..G310 helixtrans-67.6-16.9-178.500000114.1E77 D121E77-A123 HydrophobicContact CG-CB 3.95Å; E77-A123 WeakPolarHBondContact OE1-CB 3.5Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 3.04Å
124L93.2Very high96.3Very high15 Ų1534.8 Ų34.88%0.07918%0.176CC..G310 helixtrans-98.2-12.5-179.1-53.8-176.5000112.2L80 A81 V114 I119 D121 E122L80-L124 HydrophobicContact CB-CD2 4.36Å; A81-L124 VanDerWaalsContact CA-CD2 3.49Å; A81-L124 HydrophobicContact CB-CD2 3.65Å; V114-L124 HydrophobicContact CG1-CD1 4.33Å; I119-L124 HydrophobicContact CB-CB 4.16Å; I119-L124 HydrophobicContact CB-CD1 4.3Å; I119-L124 HydrophobicContact CD1-CB 3.84Å; I119-L124 WeakPolarHBondContact CD1-O 3.35Å; I119-L124 HydrophobicContact CG2-CB 4.16Å; I119-L124 HydrophobicContact CG2-CD1 3.65Å; D121-L124 HydrophobicContact CB-CD1 3.99Å; D121-L124 HydrophobicContact CB-CG 4Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-L124 VanDerWaalsContact O-N 3.1Å; E122-L124 PolarHBondContact O-N 2.79Å
125L94.8Very high96.3Very high18 Ų1834.4 Ų34.49%0.09417%0.174CC..SBendtrans-107.2149.8-173.3-74.1168.6000111.9I119 D121 E122 N131I119-L125 HydrophobicContact CD1-CD2 3.57Å; I119-L125 HydrophobicContact CD1-CG 3.98Å; I119-L125 HydrophobicContact CG1-CD2 3.82Å; I119-L125 HydrophobicContact CG1-CG 4.31Å; D121-L125 PolarHBondContact O-N 2.74Å; E122-L125 PolarHBondContact O-N 2.73Å; L125-N131 HydrophobicContact CD2-CB 3.47Å; L125-N131 VanDerWaalsContact CD2-CB 3.47Å
126Q94.6Very high96.4Very high118 Ų11834.4 Ų34.455%0.55117%0.174SC*.  trans-85.9130.5165.7-63.9-170.9-15.200109.6R128 Q129 R350Q126-R128 PolarHBondContact O-N 2.8Å; Q126-Q129 HydrophobicContact CB-CB 4.22Å; Q126-Q129 HydrophobicContact CB-CG 4.43Å; Q126-R350 PolarHBondContact O-NH1 2.92Å; Q126-R350 PolarHBondContact O-NH2 3.1Å
127E94.9Very high96.4Very high113 Ų11336 Ų3653%0.52818%0.179SC..THydrogen-bonded Turntrans-57.2-49.5-174.4-68.8-172.3171.500112.8P301 R305E127-P301 HydrophobicContact CB-CB 4.12Å; E127-P301 HydrophobicContact CB-CG 4.22Å; E127-R305 PolarHBondContact O-NH1 2.84Å
128R97.1Very high96.4Very high85 Ų8537.7 Ų37.732%0.32119%0.187SC..THydrogen-bonded Turntrans-95.714.7-171-66.9-172.5172.7-110.3-5.8114.6Q126 D296 T298 S304 K308Q126-R128 PolarHBondContact O-N 2.8Å; R128-D296 IonicContact NH1-OD1 3.23Å; R128-D296 PolarHBondContact NH1-OD1 3.21Å; R128-D296 IonicContact NH1-OD2 3.37Å; R128-D296 PolarHBondContact NH1-OD2 3.27Å; R128-T298 PolarHBondContact NH1-O 3.12Å; R128-T298 PolarHBondContact NH1-OG1 3.45Å; R128-T298 PolarHBondContact NH2-O 3.03Å; R128-S304 WeakPolarHBondContact CB-OG 3.38Å; R128-K308 PolarHBondContact O-NZ 3.14Å
129Q95.8Very high96.3Very high104 Ų10439.8 Ų39.849%0.48620%0.198SC..SBendtrans-127.1136.2178.1-58.8-167.523.200110.5Q126 R350Q126-Q129 HydrophobicContact CB-CB 4.22Å; Q126-Q129 HydrophobicContact CB-CG 4.43Å; Q129-R350 PolarHBondContact O-NH2 3.35Å
130D97.3Very high96.2Very high43 Ų4345.3 Ų45.323%0.2324%0.237CC..  trans-67.2144.8167.3-79.2-69.9000109.5L132 R154 R309D130-L132 HydrophobicContact CB-CD2 4.11Å; D130-L132 HydrophobicContact CB-CG 4.3Å; D130-R154 VanDerWaalsContact CG-NH2 3.3Å; D130-R154 IonicContact OD1-CZ 2.77Å; D130-R154 IonicContact OD1-NH1 3.49Å; D130-R154 PolarHBondContact OD1-NH1 2.97Å; D130-R154 IonicContact OD1-NH2 2.7Å; D130-R154 PolarHBondContact OD1-NH2 3.36Å; D130-R154 IonicContact OD2-NH2 3.42Å; D130-R309 VanDerWaalsContact CG-NH1 3.31Å; D130-R309 IonicContact OD1-NH1 2.87Å; D130-R309 PolarHBondContact OD1-NH1 3.02Å; D130-R309 WeakPolarHBondContact OD2-CD 3.42Å; D130-R309 WeakPolarHBondContact OD2-CG 3.43Å; D130-R309 IonicContact OD2-CZ 3.74Å; D130-R309 IonicContact OD2-NH1 3.74Å; D130-R309 PolarHBondContact OD2-NH1 3.49Å
131N97.6Very high96.2Very high33 Ų3353.3 Ų53.318%0.17627%0.271CS..  trans-125.289.9177.5-171.790.2000108.9P116 L125 A176P116-N131 PolarHBondContact O-ND2 2.83Å; L125-N131 HydrophobicContact CD2-CB 3.47Å; L125-N131 VanDerWaalsContact CD2-CB 3.47Å; N131-A176 WeakPolarHBondContact OD1-CB 3.5Å
132L98.5Very high96.4Very high13 Ų1353 Ų537%0.06827%0.271CS..  trans-93.5136.4-168.8-53.6-174.6000112.2D130 L148 D149 T173 P175 A176 E177D130-L132 HydrophobicContact CB-CD2 4.11Å; D130-L132 HydrophobicContact CB-CG 4.3Å; L132-L148 WeakPolarHBondContact CA-O 3.35Å; L132-D149 HydrophobicContact CD2-CB 3.59Å; L132-T173 WeakPolarHBondContact CD1-O 3.31Å; L132-P175 WeakPolarHBondContact O-CA 3.39Å; L132-A176 PolarHBondContact O-N 3.05Å; L132-E177 PolarHBondContact O-N 3.48Å
133L98.8Very high96.7Very high1 Ų149.5 Ų49.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-83.5137.4154.6177.165000108.1T118 T147 L148 E177 L179 L240 Y243T118-L133 HydrophobicContact CG2-CD2 4.01Å; L133-T147 CarbonylContact O-C 3.54Å; L133-T147 WeakPolarHBondContact O-CA 3.3Å; L133-L148 PolarHBondContact N-O 3.21Å; L133-L148 PolarHBondContact O-N 3.45Å; L133-E177 HydrophobicContact CD1-CB 3.98Å; L133-E177 HydrophobicContact CD1-CG 4.03Å; L133-L179 HydrophobicContact CD1-CD1 4.27Å; L133-L179 HydrophobicContact CD1-CD2 4.14Å; L133-L179 HydrophobicContact CD1-CG 4Å; L133-L240 HydrophobicContact CD2-CD2 3.85Å; L133-L240 HydrophobicContact CD2-CG 3.91Å; L133-L240 HydrophobicContact CG-CD1 4.44Å; L133-L240 HydrophobicContact CG-CD2 4.33Å; L133-L240 HydrophobicContact CG-CG 4.05Å; L133-Y243 HydrophobicContact CD1-CD1 3.96Å; L133-Y243 HydrophobicContact CD1-CE1 4.09Å; L133-Y243 HydrophobicContact CD2-CD1 3.79Å
134A98.9Very high97Very high0 Ų046.4 Ų46.40%023%0.229CC..EExtended strand (participates in β ladder)trans-132.3154.8173.600000112.1Y145 A146 T147 P175 E177 L178 L179A134-Y145 HydrophobicContact CB-CE2 3.71Å; A134-Y145 WeakPolarHBondContact CB-OH 3.25Å; A134-A146 CarbonylContact C-O 3.28Å; A134-A146 WeakPolarHBondContact CA-O 3.47Å; A134-T147 HydrophobicContact CB-CG2 3.97Å; A134-P175 HydrophobicContact CB-CB 3.56Å; A134-P175 HydrophobicContact CB-CG 3.86Å; A134-E177 PolarHBondContact N-O 3.3Å; A134-L178 HydrophobicContact CB-CD1 3.81Å; A134-L178 WeakPolarHBondContact O-CA 3.43Å; A134-L179 WeakPolarHBondContact O-CG 3.48Å; A134-L179 PolarHBondContact O-N 3.16Å
135A98.9Very high97.2Very high0 Ų045.8 Ų45.80%023%0.226CC..EExtended strand (participates in β ladder)trans-128135.717000000109.4Y145 A146 L179 F204 A236 L240A135-Y145 WeakPolarHBondContact O-CA 3.48Å; A135-Y145 WeakPolarHBondContact O-CD2 3.29Å; A135-A146 PolarHBondContact N-O 2.74Å; A135-A146 PolarHBondContact O-N 2.75Å; A135-L179 CarbonylContact C-O 3.46Å; A135-L179 VanDerWaalsContact CA-O 3.3Å; A135-L179 WeakPolarHBondContact CA-O 3.36Å; A135-L179 HydrophobicContact CB-CB 4.08Å; A135-L179 HydrophobicContact CB-CD1 4.42Å; A135-F204 HydrophobicContact CB-CE1 4.45Å; A135-A236 HydrophobicContact CB-CB 4.22Å; A135-A236 WeakPolarHBondContact CB-O 3.41Å; A135-L240 HydrophobicContact CB-CB 3.86Å; A135-L240 HydrophobicContact CB-CD1 4.23Å; A135-L240 HydrophobicContact CB-CG 4.4Å
136I98.8Very high97.4Very high0 Ų045 Ų450%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4138.4178.8-168.8175.1000110.3G144 Y145 M166 L170 L178 L179 F184 I190I136-G144 WeakPolarHBondContact CA-O 3.5Å; I136-Y145 HydrophobicContact CB-CD2 3.96Å; I136-Y145 HydrophobicContact CB-CE2 4.36Å; I136-Y145 HydrophobicContact CG1-CD2 4.23Å; I136-M166 HydrophobicContact CD1-CE 3.96Å; I136-M166 HydrophobicContact CD1-CG 3.8Å; I136-M166 HydrophobicContact CD1-SD 3.54Å; I136-M166 VanDerWaalsContact CD1-SD 3.54Å; I136-M166 HydrophobicContact CG1-CE 4.08Å; I136-M166 HydrophobicContact CG1-SD 4.21Å; I136-L170 HydrophobicContact CD1-CD1 4.29Å; I136-L178 HydrophobicContact CB-CD1 4.09Å; I136-L178 HydrophobicContact CG2-CD1 3.82Å; I136-L178 HydrophobicContact CG2-CD2 4.3Å; I136-L178 HydrophobicContact CG2-CG 4.11Å; I136-L179 PolarHBondContact N-O 2.85Å; I136-F184 HydrophobicContact CD1-CE2 3.78Å; I136-F184 HydrophobicContact CD1-CZ 3.62Å; I136-F184 HydrophobicContact CG1-CE2 3.79Å; I136-F184 HydrophobicContact CG1-CZ 4.17Å; I136-F184 HydrophobicContact CG2-CE2 4.29Å; I136-I190 HydrophobicContact CD1-CG2 4.31Å; I136-I190 HydrophobicContact CG2-CG2 4.39Å
137W98.4Very high97.6Very high41 Ų4139.7 Ų39.716%0.15520%0.198CC..EExtended strand (participates in β ladder)trans-139.8149.6177.7-179.975.3000110D139 F143 G144 F204 R232 C235W137-D139 HydrophobicContact CH2-CB 3.47Å; W137-D139 VanDerWaalsContact CH2-CB 3.47Å; W137-D139 HydrophobicContact CZ2-CB 4.01Å; W137-D139 HydrophobicContact CZ3-CB 3.78Å; W137-F143 CarbonylContact O-C 3Å; W137-F143 VanDerWaalsContact O-CA 3.3Å; W137-F143 WeakPolarHBondContact O-CA 3.33Å; W137-G144 PolarHBondContact N-O 3.34Å; W137-G144 PolarHBondContact O-N 2.96Å; W137-F204 HydrophobicContact CB-CD1 3.65Å; W137-F204 HydrophobicContact CB-CE1 3.87Å; W137-F204 HydrophobicContact CB-CG 4.5Å; W137-F204 AromaticContact CD1-CD1 3.83Å; W137-F204 AromaticContact CD1-CG 3.82Å; W137-F204 HydrophobicContact CG-CB 4.41Å; W137-F204 AromaticContact CG-CD1 3.91Å; W137-F204 HydrophobicContact CG-CD1 3.91Å; W137-F204 HydrophobicContact CG-CG 4.33Å; W137-R232 HydrophobicContact CE3-CB 4.15Å; W137-R232 HydrophobicContact CZ3-CB 3.84Å; W137-R232 HydrophobicContact CZ3-CG 3.83Å; W137-C235 HydrophobicContact CD2-CB 4.41Å; W137-C235 HydrophobicContact CE3-CB 4.43Å
138Q98.3Very high97.8Very high34 Ų3434.4 Ų34.416%0.15917%0.173CC..EExtended strand (participates in β ladder)trans-130.9137.6-177.8-179.1179.28.400109.7F143 F184 A185Q138-F143 HydrophobicContact CB-CD1 3.83Å; Q138-F143 HydrophobicContact CB-CE1 3.92Å; Q138-F143 HydrophobicContact CG-CD1 3.96Å; Q138-F143 HydrophobicContact CG-CE1 3.7Å; Q138-F143 HydrophobicContact CG-CZ 4.38Å; Q138-F184 HydrophobicContact CB-CD2 3.67Å; Q138-F184 HydrophobicContact CB-CE2 3.66Å; Q138-A185 VanDerWaalsContact OE1-N 3.08Å
139D95.6Very high97.9Very high48 Ų4830.4 Ų30.426%0.25716%0.158SC..  trans-121.3-170.5166.66917.2000111.5W137 K141 G142 R232W137-D139 HydrophobicContact CH2-CB 3.47Å; W137-D139 VanDerWaalsContact CH2-CB 3.47Å; W137-D139 HydrophobicContact CZ2-CB 4.01Å; W137-D139 HydrophobicContact CZ3-CB 3.78Å; D139-K141 PolarHBondContact O-N 2.73Å; D139-K141 WeakPolarHBondContact OD1-CA 3.41Å; D139-K141 PolarHBondContact OD1-N 2.97Å; D139-G142 PolarHBondContact N-O 2.87Å; D139-G142 PolarHBondContact OD1-N 3.11Å; D139-R232 VanDerWaalsContact OD2-CD 3.28Å; D139-R232 WeakPolarHBondContact OD2-CD 3.34Å
140S95Very high98Very high124 Ų12425.5 Ų25.587%0.86714%0.135SC*.SBendtrans-66.1-13.8178.954.40000114.6
141K95.7Very high98Very high172 Ų17223.5 Ų23.575%0.74812%0.124SC*.SBendtrans-115.7-20.4-172.7-64.8-179.3-178175.30113.8D139D139-K141 PolarHBondContact O-N 2.73Å; D139-K141 WeakPolarHBondContact OD1-CA 3.41Å; D139-K141 PolarHBondContact OD1-N 2.97Å
142G97.1Very high97.9Very high6 Ų623.3 Ų23.36%0.06213%0.126CC..  trans164.7-142.7177.800000111.3D139D139-G142 PolarHBondContact N-O 2.87Å; D139-G142 PolarHBondContact OD1-N 3.11Å
143F98.6Very high97.8Very high7 Ų723.1 Ų23.13%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-127.7154.6-169.7-56.9-90.1000113.9W137 Q138 E159 P160 M166 F184 E186 L189W137-F143 CarbonylContact O-C 3Å; W137-F143 VanDerWaalsContact O-CA 3.3Å; W137-F143 WeakPolarHBondContact O-CA 3.33Å; Q138-F143 HydrophobicContact CB-CD1 3.83Å; Q138-F143 HydrophobicContact CB-CE1 3.92Å; Q138-F143 HydrophobicContact CG-CD1 3.96Å; Q138-F143 HydrophobicContact CG-CE1 3.7Å; Q138-F143 HydrophobicContact CG-CZ 4.38Å; F143-E159 CarbonylContact O-C 3.51Å; F143-E159 WeakPolarHBondContact O-CA 3.48Å; F143-P160 PolarHBondContact N-O 3.38Å; F143-M166 HydrophobicContact CB-CE 3.13Å; F143-M166 HydrophobicContact CD1-CE 4.04Å; F143-M166 HydrophobicContact CD1-CG 4.21Å; F143-M166 HydrophobicContact CD2-CB 3.9Å; F143-M166 HydrophobicContact CD2-CE 4.24Å; F143-M166 HydrophobicContact CD2-CG 4.34Å; F143-M166 HydrophobicContact CE1-CG 4.42Å; F143-M166 HydrophobicContact CE2-CB 4.04Å; F143-M166 HydrophobicContact CG-CB 4.23Å; F143-M166 HydrophobicContact CG-CE 3.57Å; F143-M166 HydrophobicContact CG-CG 4.18Å; F143-M166 HydrophobicContact CZ-CB 4.46Å; F143-F184 HydrophobicContact CD1-CE2 4.09Å; F143-F184 HydrophobicContact CD1-CZ 4.33Å; F143-F184 HydrophobicContact CE1-CE2 4.03Å; F143-F184 AromaticContact CE1-CZ 3.92Å; F143-F184 HydrophobicContact CE1-CZ 3.92Å; F143-E186 HydrophobicContact CZ-CB 4.45Å; F143-E186 HydrophobicContact CZ-CG 4.35Å; F143-L189 HydrophobicContact CE1-CD1 4.05Å; F143-L189 HydrophobicContact CZ-CD1 3.89Å
144G98.5Very high97.8Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-111.7133.7162.200000110.2I136 W137 R232I136-G144 WeakPolarHBondContact CA-O 3.5Å; W137-G144 PolarHBondContact N-O 3.34Å; W137-G144 PolarHBondContact O-N 2.96Å; G144-R232 VanDerWaalsContact CA-O 3.29Å; G144-R232 WeakPolarHBondContact CA-O 3.32Å
145Y98.8Very high97.8Very high2 Ų225.1 Ų25.11%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-138138.9178.4-169.8-121.7000111.5A134 A135 I136 T147 L157 S158 M166 L170 T173 L178A134-Y145 HydrophobicContact CB-CE2 3.71Å; A134-Y145 WeakPolarHBondContact CB-OH 3.25Å; A135-Y145 WeakPolarHBondContact O-CA 3.48Å; A135-Y145 WeakPolarHBondContact O-CD2 3.29Å; I136-Y145 HydrophobicContact CB-CD2 3.96Å; I136-Y145 HydrophobicContact CB-CE2 4.36Å; I136-Y145 HydrophobicContact CG1-CD2 4.23Å; Y145-T147 HydrophobicContact CD1-CG2 4.19Å; Y145-T147 HydrophobicContact CE1-CG2 3.43Å; Y145-T147 VanDerWaalsContact CE1-CG2 3.43Å; Y145-L157 CarbonylContact O-C 3.57Å; Y145-L157 VanDerWaalsContact O-CA 3.24Å; Y145-L157 WeakPolarHBondContact O-CA 3.28Å; Y145-S158 PolarHBondContact N-O 3.32Å; Y145-S158 PolarHBondContact O-N 2.88Å; Y145-M166 HydrophobicContact CD2-SD 4.44Å; Y145-M166 HydrophobicContact CG-CE 4.4Å; Y145-M166 HydrophobicContact CG-SD 4.45Å; Y145-L170 HydrophobicContact CE2-CD2 3.85Å; Y145-T173 HydrophobicContact CE1-CG2 4.08Å; Y145-T173 WeakPolarHBondContact CE1-OG1 3.43Å; Y145-T173 PolarHBondContact OH-OG1 2.9Å; Y145-L178 HydrophobicContact CE2-CD1 4.05Å
146A98.9Very high97.8Very high1 Ų128 Ų281%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-138.1145.9176.100000110.6A134 A135 F155 R156 L157 A236 A237 L240A134-A146 CarbonylContact C-O 3.28Å; A134-A146 WeakPolarHBondContact CA-O 3.47Å; A135-A146 PolarHBondContact N-O 2.74Å; A135-A146 PolarHBondContact O-N 2.75Å; A146-F155 HydrophobicContact CB-CE2 4.21Å; A146-R156 CarbonylContact C-O 3.58Å; A146-R156 VanDerWaalsContact CA-O 3.26Å; A146-R156 WeakPolarHBondContact CA-O 3.11Å; A146-L157 HydrophobicContact CB-CB 4.47Å; A146-A236 HydrophobicContact CB-CB 4Å; A146-A237 HydrophobicContact CB-CB 3.93Å; A146-L240 HydrophobicContact CB-CD1 3.99Å; A146-L240 WeakPolarHBondContact O-CD1 3.48Å
147T98.9Very high97.8Very high7 Ų728.1 Ų28.14%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-134.1142.9176.162.50000111.4L133 A134 Y145 F155 R156 T173L133-T147 CarbonylContact O-C 3.54Å; L133-T147 WeakPolarHBondContact O-CA 3.3Å; A134-T147 HydrophobicContact CB-CG2 3.97Å; Y145-T147 HydrophobicContact CD1-CG2 4.19Å; Y145-T147 HydrophobicContact CE1-CG2 3.43Å; Y145-T147 VanDerWaalsContact CE1-CG2 3.43Å; T147-F155 WeakPolarHBondContact O-CA 3.45Å; T147-F155 WeakPolarHBondContact O-CD2 3.36Å; T147-R156 PolarHBondContact N-O 2.92Å; T147-R156 PolarHBondContact O-N 2.96Å; T147-T173 HydrophobicContact CG2-CG2 4.03Å
148L98.8Very high97.8Very high1 Ų126.4 Ų26.41%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-131.3128.9175.2177.965.1000109.5L132 L133 R154 F155 L240 A244 I255L132-L148 WeakPolarHBondContact CA-O 3.35Å; L133-L148 PolarHBondContact N-O 3.21Å; L133-L148 PolarHBondContact O-N 3.45Å; L148-R154 WeakPolarHBondContact CA-O 3.27Å; L148-F155 HydrophobicContact CB-CD2 4.39Å; L148-F155 HydrophobicContact CD1-CB 4.02Å; L148-F155 HydrophobicContact CD1-CG 4.18Å; L148-L240 HydrophobicContact CB-CD1 4.24Å; L148-L240 HydrophobicContact CB-CD2 3.34Å; L148-L240 HydrophobicContact CB-CG 4.42Å; L148-L240 HydrophobicContact CD2-CD2 3.64Å; L148-L240 HydrophobicContact CG-CD2 4.12Å; L148-A244 HydrophobicContact CD2-CB 3.96Å; L148-I255 HydrophobicContact CD1-CD1 3.94Å; L148-I255 HydrophobicContact CD1-CG1 4.22Å; L148-I255 HydrophobicContact CD2-CD1 3.76Å; L148-I255 HydrophobicContact CG-CD1 4.48Å
149D98.5Very high97.8Very high1 Ų126.4 Ų26.41%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-92.7100.8158.4179.30.8000108.4L132 S151 S152 G153 R154L132-D149 HydrophobicContact CD2-CB 3.59Å; D149-S151 PolarHBondContact O-N 2.87Å; D149-S151 WeakPolarHBondContact OD1-CA 3.37Å; D149-S151 WeakPolarHBondContact OD1-CB 3.48Å; D149-S151 PolarHBondContact OD1-N 3.01Å; D149-S151 PolarHBondContact OD1-OG 3Å; D149-S152 VanDerWaalsContact CB-OG 3.32Å; D149-S152 WeakPolarHBondContact CB-OG 3.19Å; D149-S152 PolarHBondContact O-N 3.35Å; D149-S152 VanDerWaalsContact O-N 3.15Å; D149-S152 WeakPolarHBondContact OD2-CB 3.49Å; D149-S152 PolarHBondContact OD2-OG 3.09Å; D149-G153 PolarHBondContact O-N 2.59Å; D149-R154 HydrophobicContact CB-CB 4.26Å; D149-R154 PolarHBondContact N-O 3.36Å; D149-R154 IonicContact OD2-CZ 3.82Å; D149-R154 IonicContact OD2-NH1 3.21Å; D149-R154 PolarHBondContact OD2-NH1 2.99Å; D149-R154 IonicContact OD2-NH2 2.69Å
150I97.8Very high97.8Very high1 Ų124.2 Ų24.21%0.00513%0.129CC..THydrogen-bonded Turntrans-63.9-22.7-178.3-156.8165000112.1T118 I119 S152 Q248 H254T118-I150 HydrophobicContact CG2-CD1 4.36Å; I119-I150 WeakPolarHBondContact O-CG2 3.3Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-Q248 HydrophobicContact CD1-CG 3.63Å; I150-H254 PolarHBondContact O-CD2 2.94Å; I150-H254 PolarHBondContact O-NE2 2.87Å
151S96.8Very high97.9Very high1 Ų120.7 Ų20.71%0.00711%0.107CC..THydrogen-bonded Turntrans-87.72.4-178.876.50000113.6D149 R350 A353D149-S151 PolarHBondContact O-N 2.87Å; D149-S151 WeakPolarHBondContact OD1-CA 3.37Å; D149-S151 WeakPolarHBondContact OD1-CB 3.48Å; D149-S151 PolarHBondContact OD1-N 3.01Å; D149-S151 PolarHBondContact OD1-OG 3Å; S151-R350 WeakPolarHBondContact O-CA 3.34Å; S151-R350 PolarHBondContact OG-NE 3.44Å; S151-A353 WeakPolarHBondContact O-CB 3.02Å
152S96.6Very high97.9Very high30 Ų3016 Ų1621%0.219%0.09CC..THydrogen-bonded Turntrans-138.5-15.4172.266.20000114.4D149 I150 R154 E349D149-S152 VanDerWaalsContact CB-OG 3.32Å; D149-S152 WeakPolarHBondContact CB-OG 3.19Å; D149-S152 PolarHBondContact O-N 3.35Å; D149-S152 VanDerWaalsContact O-N 3.15Å; D149-S152 WeakPolarHBondContact OD2-CB 3.49Å; D149-S152 PolarHBondContact OD2-OG 3.09Å; I150-S152 VanDerWaalsContact C-N 3.33Å; S152-R154 VanDerWaalsContact C-N 3.27Å; S152-R154 WeakPolarHBondContact OG-CB 3.22Å; S152-R154 PolarHBondContact OG-N 2.97Å; S152-E349 VanDerWaalsContact CB-CD 3.47Å; S152-E349 VanDerWaalsContact CB-CG 3.48Å
153G97.2Very high97.8Very high9 Ų920.4 Ų20.49%0.09311%0.105CC..THydrogen-bonded Turntrans80.16-173.700000113.6D149 F155D149-G153 PolarHBondContact O-N 2.59Å; G153-F155 PolarHBondContact O-N 2.62Å
154R98.4Very high97.6Very high42 Ų4225.7 Ų25.716%0.15813%0.13CC..EExtended strand (participates in β ladder)trans-69.9102.8178.9-172.7178.367.7-110.42.9110.3D130 L148 D149 S152 R156 R309D130-R154 VanDerWaalsContact CG-NH2 3.3Å; D130-R154 IonicContact OD1-CZ 2.77Å; D130-R154 IonicContact OD1-NH1 3.49Å; D130-R154 PolarHBondContact OD1-NH1 2.97Å; D130-R154 IonicContact OD1-NH2 2.7Å; D130-R154 PolarHBondContact OD1-NH2 3.36Å; D130-R154 IonicContact OD2-NH2 3.42Å; L148-R154 WeakPolarHBondContact CA-O 3.27Å; D149-R154 HydrophobicContact CB-CB 4.26Å; D149-R154 PolarHBondContact N-O 3.36Å; D149-R154 IonicContact OD2-CZ 3.82Å; D149-R154 IonicContact OD2-NH1 3.21Å; D149-R154 PolarHBondContact OD2-NH1 2.99Å; D149-R154 IonicContact OD2-NH2 2.69Å; S152-R154 VanDerWaalsContact C-N 3.27Å; S152-R154 WeakPolarHBondContact OG-CB 3.22Å; S152-R154 PolarHBondContact OG-N 2.97Å; R154-R156 HydrophobicContact CG-CG 4.42Å; R154-R309 VanDerWaalsContact NH2-CD 3.32Å
155F98.7Very high97.5Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-107.3125.7177.9-157.8175.1000110.9A146 T147 L148 G153 L213 F217 A237 L240 L241 I255 S257 I258 T259A146-F155 HydrophobicContact CB-CE2 4.21Å; T147-F155 WeakPolarHBondContact O-CA 3.45Å; T147-F155 WeakPolarHBondContact O-CD2 3.36Å; L148-F155 HydrophobicContact CB-CD2 4.39Å; L148-F155 HydrophobicContact CD1-CB 4.02Å; L148-F155 HydrophobicContact CD1-CG 4.18Å; G153-F155 PolarHBondContact O-N 2.62Å; F155-L213 HydrophobicContact CE1-CD2 3.78Å; F155-L213 HydrophobicContact CZ-CD2 4.27Å; F155-F217 HydrophobicContact CD1-CZ 4.13Å; F155-F217 HydrophobicContact CE1-CZ 4.48Å; F155-A237 HydrophobicContact CE2-CB 4.05Å; F155-A237 HydrophobicContact CZ-CB 3.8Å; F155-L240 HydrophobicContact CE2-CD1 4.22Å; F155-L240 HydrophobicContact CE2-CD2 3.94Å; F155-L240 HydrophobicContact CE2-CG 4.46Å; F155-L240 HydrophobicContact CZ-CB 4.49Å; F155-L240 HydrophobicContact CZ-CD2 4.1Å; F155-L241 HydrophobicContact CE1-CB 4.4Å; F155-L241 HydrophobicContact CZ-CB 4.47Å; F155-I255 HydrophobicContact CB-CG2 4.47Å; F155-I255 HydrophobicContact CD1-CG2 3.77Å; F155-I255 HydrophobicContact CE1-CG2 4.49Å; F155-S257 WeakPolarHBondContact CB-O 3.33Å; F155-I258 HydrophobicContact CB-CB 4.48Å; F155-I258 HydrophobicContact CB-CG1 4.37Å; F155-I258 HydrophobicContact CD1-CB 4.35Å; F155-I258 HydrophobicContact CD1-CD1 3.99Å; F155-I258 HydrophobicContact CD1-CG1 4.3Å; F155-I258 HydrophobicContact CD2-CD1 3.94Å; F155-I258 HydrophobicContact CD2-CG1 4.25Å; F155-I258 HydrophobicContact CE1-CD1 3.97Å; F155-I258 HydrophobicContact CE2-CD1 3.93Å; F155-I258 HydrophobicContact CG-CB 4.4Å; F155-I258 HydrophobicContact CG-CD1 3.99Å; F155-I258 HydrophobicContact CG-CG1 4.05Å; F155-I258 HydrophobicContact CZ-CD1 3.95Å; F155-T259 PolarHBondContact O-N 3.42Å
156R98.6Very high97.4Very high62 Ų6226.7 Ų26.723%0.23414%0.136CC..EExtended strand (participates in β ladder)trans-130.1151.6-179.1-61-65.2179-93.85.5111.3A146 T147 R154 T259 E261A146-R156 CarbonylContact C-O 3.58Å; A146-R156 VanDerWaalsContact CA-O 3.26Å; A146-R156 WeakPolarHBondContact CA-O 3.11Å; T147-R156 PolarHBondContact N-O 2.92Å; T147-R156 PolarHBondContact O-N 2.96Å; R154-R156 HydrophobicContact CG-CG 4.42Å; R156-T259 WeakPolarHBondContact CA-O 3.33Å; R156-E261 HydrophobicContact CB-CG 4.35Å; R156-E261 HydrophobicContact CG-CG 4.47Å
157L98.3Very high97.3Very high1 Ų128.1 Ų28.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-134153.6167.570.183.6000111.4Y145 A146 V227 A230 L234 I258 T259 M260 E261Y145-L157 CarbonylContact O-C 3.57Å; Y145-L157 VanDerWaalsContact O-CA 3.24Å; Y145-L157 WeakPolarHBondContact O-CA 3.28Å; A146-L157 HydrophobicContact CB-CB 4.47Å; L157-V227 HydrophobicContact CD1-CG1 4.27Å; L157-V227 HydrophobicContact CD2-CB 3.8Å; L157-V227 HydrophobicContact CD2-CG1 3.54Å; L157-V227 HydrophobicContact CG-CG1 4Å; L157-A230 HydrophobicContact CD1-CB 3.96Å; L157-L234 HydrophobicContact CD2-CD2 4.13Å; L157-I258 HydrophobicContact CB-CD1 4.45Å; L157-I258 HydrophobicContact CD2-CD1 3.7Å; L157-I258 HydrophobicContact CD2-CG1 4.06Å; L157-I258 HydrophobicContact CG-CD1 4.44Å; L157-I258 HydrophobicContact CG-CG1 4.49Å; L157-T259 PolarHBondContact N-O 2.7Å; L157-M260 HydrophobicContact CD1-CB 3.9Å; L157-M260 HydrophobicContact CD1-CG 3.72Å; L157-M260 HydrophobicContact CD1-SD 4.49Å; L157-M260 CarbonylContact O-C 3.54Å; L157-M260 WeakPolarHBondContact O-CA 3.21Å; L157-E261 PolarHBondContact O-N 2.83Å
158S98.3Very high97.1Very high6 Ų627.9 Ų27.94%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-144.9162.4171.259.60000110.2Y145 E169Y145-S158 PolarHBondContact N-O 3.32Å; Y145-S158 PolarHBondContact O-N 2.88Å; S158-E169 PolarHBondContact OG-OE2 3.2Å
159E98.3Very high97Very high33 Ų3329.1 Ų29.115%0.15415%0.152CC..  trans-12573.7174.5-62.1-163.1159.800111.1F143 A161 A230 R232 G233 M260F143-E159 CarbonylContact O-C 3.51Å; F143-E159 WeakPolarHBondContact O-CA 3.48Å; E159-A161 PolarHBondContact O-N 3.02Å; E159-A230 HydrophobicContact CG-CB 4.36Å; E159-A230 WeakPolarHBondContact OE1-CA 3.49Å; E159-R232 HydrophobicContact CG-CB 4.13Å; E159-R232 WeakPolarHBondContact OE1-CB 3.46Å; E159-R232 PolarHBondContact OE1-N 3.34Å; E159-R232 IonicContact OE1-NE 3.03Å; E159-R232 IonicContact OE2-CZ 2.8Å; E159-R232 IonicContact OE2-NE 3.96Å; E159-R232 PolarHBondContact OE2-NE 3.35Å; E159-R232 VanDerWaalsContact OE2-NE 3.11Å; E159-R232 IonicContact OE2-NH2 3.54Å; E159-R232 PolarHBondContact OE2-NH2 2.75Å; E159-G233 PolarHBondContact OE1-N 3.38Å; E159-M260 HydrophobicContact CG-CE 4.41Å
160P97.4Very high96.9Very high3 Ų329.1 Ų29.12%0.01915%0.152CC..  trans-55.5130.1179.5-29.240.6000111.9F143 T165 M166 E169F143-P160 PolarHBondContact N-O 3.38Å; P160-T165 HydrophobicContact CB-CG2 3.96Å; P160-M166 HydrophobicContact CB-CB 4.16Å; P160-M166 HydrophobicContact CB-CE 3.87Å; P160-M166 HydrophobicContact CG-CE 3.51Å; P160-M166 HydrophobicContact CG-SD 4.3Å; P160-E169 HydrophobicContact CG-CG 3.94Å
161A95.5Very high96.8Very high50 Ų5031.7 Ų31.741%0.41316%0.164SC..  trans-70.6-38.5-174.200000113E159E159-A161 PolarHBondContact O-N 3.02Å
162D95.9Very high96.8Very high72 Ų7233.4 Ų33.439%0.38517%0.171SC..SBendtrans-137176.5-171.859.332.6000113E164 T165 M166D162-E164 PolarHBondContact OD1-N 2.98Å; D162-T165 WeakPolarHBondContact OD1-CB 3.4Å; D162-T165 PolarHBondContact OD1-N 2.93Å; D162-T165 PolarHBondContact OD1-OG1 2.98Å; D162-M166 WeakPolarHBondContact O-CB 3.19Å; D162-M166 PolarHBondContact O-N 3.45Å
163R96.1Very high96.8Very high99 Ų9932.8 Ų32.837%0.37417%0.165SC..Hα-helixtrans-64-41.5-175.9-178.1-179.3178.7-78.5-5.9111.4M166 A167 E186 S188 L189R163-M166 PolarHBondContact O-N 3.45Å; R163-A167 WeakPolarHBondContact O-CB 3.38Å; R163-A167 PolarHBondContact O-N 3.27Å; R163-E186 IonicContact NE-OE2 3.23Å; R163-E186 PolarHBondContact NE-OE2 3.43Å; R163-S188 PolarHBondContact NH2-OG 3.23Å; R163-L189 HydrophobicContact CG-CD1 4.11Å; R163-L189 HydrophobicContact CG-CD2 3.89Å; R163-L189 HydrophobicContact CG-CG 4.22Å
164E94.5Very high96.8Very high119 Ų11935.8 Ų35.856%0.55618%0.179SC*.Hα-helixtrans-65.7-45-178.4-70.665-145.200111.3D162 A167 A168D162-E164 PolarHBondContact OD1-N 2.98Å; E164-A167 PolarHBondContact O-N 3.33Å; E164-A168 PolarHBondContact O-N 3.09Å
165T95Very high96.7Very high23 Ų2333.9 Ų33.914%0.14117%0.173CC..Hα-helixtrans-65.2-42.3176.4-54.50000110.4P160 D162 A167 A168 E169P160-T165 HydrophobicContact CB-CG2 3.96Å; D162-T165 WeakPolarHBondContact OD1-CB 3.4Å; D162-T165 PolarHBondContact OD1-N 2.93Å; D162-T165 PolarHBondContact OD1-OG1 2.98Å; T165-A167 PolarHBondContact O-N 3.39Å; T165-A168 WeakPolarHBondContact O-CB 3.08Å; T165-A168 PolarHBondContact O-N 3.02Å; T165-E169 VanDerWaalsContact O-CG 3.3Å; T165-E169 WeakPolarHBondContact O-CG 3.44Å; T165-E169 PolarHBondContact O-N 2.75Å
166M97.3Very high96.7Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-62-42.7175-178.849.675.500112.5I136 F143 Y145 P160 D162 R163 A168 E169 L170 L189I136-M166 HydrophobicContact CD1-CE 3.96Å; I136-M166 HydrophobicContact CD1-CG 3.8Å; I136-M166 HydrophobicContact CD1-SD 3.54Å; I136-M166 VanDerWaalsContact CD1-SD 3.54Å; I136-M166 HydrophobicContact CG1-CE 4.08Å; I136-M166 HydrophobicContact CG1-SD 4.21Å; F143-M166 HydrophobicContact CB-CE 3.13Å; F143-M166 HydrophobicContact CD1-CE 4.04Å; F143-M166 HydrophobicContact CD1-CG 4.21Å; F143-M166 HydrophobicContact CD2-CB 3.9Å; F143-M166 HydrophobicContact CD2-CE 4.24Å; F143-M166 HydrophobicContact CD2-CG 4.34Å; F143-M166 HydrophobicContact CE1-CG 4.42Å; F143-M166 HydrophobicContact CE2-CB 4.04Å; F143-M166 HydrophobicContact CG-CB 4.23Å; F143-M166 HydrophobicContact CG-CE 3.57Å; F143-M166 HydrophobicContact CG-CG 4.18Å; F143-M166 HydrophobicContact CZ-CB 4.46Å; Y145-M166 HydrophobicContact CD2-SD 4.44Å; Y145-M166 HydrophobicContact CG-CE 4.4Å; Y145-M166 HydrophobicContact CG-SD 4.45Å; P160-M166 HydrophobicContact CB-CB 4.16Å; P160-M166 HydrophobicContact CB-CE 3.87Å; P160-M166 HydrophobicContact CG-CE 3.51Å; P160-M166 HydrophobicContact CG-SD 4.3Å; D162-M166 WeakPolarHBondContact O-CB 3.19Å; D162-M166 PolarHBondContact O-N 3.45Å; R163-M166 PolarHBondContact O-N 3.45Å; M166-A168 VanDerWaalsContact C-N 3.31Å; M166-A168 PolarHBondContact O-N 3Å; M166-E169 PolarHBondContact O-N 3.04Å; M166-E169 HydrophobicContact SD-CB 4.48Å; M166-L170 HydrophobicContact CG-CD1 4.35Å; M166-L170 WeakPolarHBondContact O-CG 3.47Å; M166-L170 PolarHBondContact O-N 3Å; M166-L170 HydrophobicContact SD-CD1 4.46Å; M166-L170 HydrophobicContact SD-CG 4.14Å; M166-L189 HydrophobicContact CB-CD1 4.25Å; M166-L189 HydrophobicContact CG-CD1 3.91Å
167A96.1Very high96.7Very high30 Ų3031.4 Ų31.425%0.24817%0.165CC..Hα-helixtrans-59.9-43175.500000111.6R163 E164 T165 E169 L170 Q171 L189R163-A167 WeakPolarHBondContact O-CB 3.38Å; R163-A167 PolarHBondContact O-N 3.27Å; E164-A167 PolarHBondContact O-N 3.33Å; T165-A167 PolarHBondContact O-N 3.39Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 3.24Å; A167-L170 PolarHBondContact O-N 3.42Å; A167-Q171 PolarHBondContact O-N 3.17Å; A167-L189 HydrophobicContact CB-CD2 3.77Å
168A95.2Very high96.7Very high2 Ų231.4 Ų31.42%0.01717%0.165CC..Hα-helixtrans-63.1-38.4176.100000112.3E164 T165 M166 Q171 R172E164-A168 PolarHBondContact O-N 3.09Å; T165-A168 WeakPolarHBondContact O-CB 3.08Å; T165-A168 PolarHBondContact O-N 3.02Å; M166-A168 VanDerWaalsContact C-N 3.31Å; M166-A168 PolarHBondContact O-N 3Å; A168-Q171 PolarHBondContact O-N 3.14Å; A168-R172 VanDerWaalsContact O-CB 3.3Å; A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 PolarHBondContact O-N 2.87Å
169E96.9Very high96.7Very high27 Ų2731.1 Ų31.113%0.12616%0.163CC..Hα-helixtrans-67.4-44.1177.1-73.5-70.291.500112.7S158 P160 T165 M166 A167 Q171 R172 T173S158-E169 PolarHBondContact OG-OE2 3.2Å; P160-E169 HydrophobicContact CG-CG 3.94Å; T165-E169 VanDerWaalsContact O-CG 3.3Å; T165-E169 WeakPolarHBondContact O-CG 3.44Å; T165-E169 PolarHBondContact O-N 2.75Å; M166-E169 PolarHBondContact O-N 3.04Å; M166-E169 HydrophobicContact SD-CB 4.48Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 3.24Å; E169-Q171 VanDerWaalsContact C-N 3.27Å; E169-Q171 PolarHBondContact O-N 3.14Å; E169-R172 VanDerWaalsContact CD-NH2 3.3Å; E169-R172 PolarHBondContact O-N 3.05Å; E169-R172 IonicContact OE1-CZ 3.86Å; E169-R172 IonicContact OE1-NE 3.56Å; E169-R172 PolarHBondContact OE1-NE 3.37Å; E169-R172 IonicContact OE1-NH2 3.39Å; E169-R172 PolarHBondContact OE1-NH2 3.37Å; E169-R172 IonicContact OE2-CZ 3.95Å; E169-R172 IonicContact OE2-NE 2.83Å; E169-R172 IonicContact OE2-NH2 2.96Å; E169-R172 PolarHBondContact OE2-NH2 2.87Å; E169-T173 WeakPolarHBondContact O-CB 3.47Å; E169-T173 PolarHBondContact O-N 3.23Å; E169-T173 PolarHBondContact O-OG1 3.24Å
170L97.2Very high96.8Very high2 Ų230.6 Ų30.61%0.0116%0.16CC..Hα-helixtrans-62.5-34.9174-73.2173000112I136 Y145 M166 A167 N174 L178 L189 I190 R193I136-L170 HydrophobicContact CD1-CD1 4.29Å; Y145-L170 HydrophobicContact CE2-CD2 3.85Å; M166-L170 HydrophobicContact CG-CD1 4.35Å; M166-L170 WeakPolarHBondContact O-CG 3.47Å; M166-L170 PolarHBondContact O-N 3Å; M166-L170 HydrophobicContact SD-CD1 4.46Å; M166-L170 HydrophobicContact SD-CG 4.14Å; A167-L170 PolarHBondContact O-N 3.42Å; L170-N174 WeakPolarHBondContact O-CA 3.49Å; L170-N174 PolarHBondContact O-N 2.8Å; L170-L178 HydrophobicContact CD2-CD1 4.21Å; L170-L178 HydrophobicContact CD2-CD2 3.96Å; L170-L189 HydrophobicContact CD1-CB 4.25Å; L170-I190 HydrophobicContact CD1-CG2 4.26Å; L170-R193 PolarHBondContact O-NH2 2.75Å
171Q94.7Very high96.8Very high55 Ų5530.5 Ų30.526%0.25716%0.159SC..Hα-helixtrans-73.1-40.8173.7-177.1174.8-21.100112.3A167 A168 E169 A271A167-Q171 PolarHBondContact O-N 3.17Å; A168-Q171 PolarHBondContact O-N 3.14Å; E169-Q171 VanDerWaalsContact C-N 3.27Å; E169-Q171 PolarHBondContact O-N 3.14Å; Q171-A271 PolarHBondContact NE2-O 3.24Å; Q171-A271 PolarHBondContact OE1-O 3.41Å; Q171-A271 VanDerWaalsContact OE1-O 3.14Å
172R96.1Very high96.9Very high37 Ų3732.1 Ų32.114%0.1416%0.158CC..Hα-helixtrans-62.5-47.5178.9-179.3-176.663.194.2-0.1111.6A168 E169 E261 H312A168-R172 VanDerWaalsContact O-CB 3.3Å; A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 PolarHBondContact O-N 2.87Å; E169-R172 VanDerWaalsContact CD-NH2 3.3Å; E169-R172 PolarHBondContact O-N 3.05Å; E169-R172 IonicContact OE1-CZ 3.86Å; E169-R172 IonicContact OE1-NE 3.56Å; E169-R172 PolarHBondContact OE1-NE 3.37Å; E169-R172 IonicContact OE1-NH2 3.39Å; E169-R172 PolarHBondContact OE1-NH2 3.37Å; E169-R172 IonicContact OE2-CZ 3.95Å; E169-R172 IonicContact OE2-NE 2.83Å; E169-R172 IonicContact OE2-NH2 2.96Å; E169-R172 PolarHBondContact OE2-NH2 2.87Å; R172-E261 IonicContact CZ-OE2 3.44Å; R172-E261 IonicContact NH1-OE1 3.75Å; R172-E261 IonicContact NH1-OE2 2.68Å; R172-E261 PolarHBondContact NH1-OE2 3.22Å; R172-E261 IonicContact NH2-OE2 3.61Å; R172-E261 PolarHBondContact NH2-OE2 2.82Å; R172-H312 HydrophobicContact CG-CB 4.15Å
173T97Very high96.9Very high16 Ų1632.6 Ų32.610%0.09816%0.161CC..Hα-helixtrans-87.7-24.6-173.856.10000113.1L132 Y145 T147 E169L132-T173 WeakPolarHBondContact CD1-O 3.31Å; Y145-T173 HydrophobicContact CE1-CG2 4.08Å; Y145-T173 WeakPolarHBondContact CE1-OG1 3.43Å; Y145-T173 PolarHBondContact OH-OG1 2.9Å; T147-T173 HydrophobicContact CG2-CG2 4.03Å; E169-T173 WeakPolarHBondContact O-CB 3.47Å; E169-T173 PolarHBondContact O-N 3.23Å; E169-T173 PolarHBondContact O-OG1 3.24Å
174N96.6Very high97Very high73 Ų7328.3 Ų28.339%0.3915%0.145SC..  trans41.955.4174.5-16825.3000114.6L170 R194L170-N174 WeakPolarHBondContact O-CA 3.49Å; L170-N174 PolarHBondContact O-N 2.8Å; N174-R194 VanDerWaalsContact CG-NH2 3.32Å; N174-R194 PolarHBondContact ND2-NH2 3.03Å; N174-R194 PolarHBondContact O-NH2 3.33Å; N174-R194 VanDerWaalsContact O-NH2 3.15Å; N174-R194 PolarHBondContact OD1-NH2 3.38Å
175P98.1Very high97.2Very high2 Ų226.2 Ų26.21%0.01315%0.148CC..  trans-57.5143.9-172.523.7-34.4000112.7L132 A134 E177 L178 R194L132-P175 WeakPolarHBondContact O-CA 3.39Å; A134-P175 HydrophobicContact CB-CB 3.56Å; A134-P175 HydrophobicContact CB-CG 3.86Å; P175-E177 VanDerWaalsContact C-N 3.31Å; P175-L178 HydrophobicContact CG-CB 4.34Å; P175-L178 HydrophobicContact CG-CD1 4.35Å; P175-R194 PolarHBondContact O-NE 3.23Å
176A97.6Very high97.2Very high10 Ų1028.3 Ų28.38%0.08316%0.156CC..SBendtrans-75.2-27.7172.200000111.2N131 L132N131-A176 WeakPolarHBondContact OD1-CB 3.5Å; L132-A176 PolarHBondContact O-N 3.05Å
177E98.6Very high97.2Very high0 Ų030.6 Ų30.60%017%0.168CC..EExtended strand (participates in β ladder)trans-143.4132.7176.3-170.8169.1-156.400110.1T115 P116 G117 L132 L133 A134 P175 G195 R197 Y243T115-E177 WeakPolarHBondContact CB-OE1 3.19Å; T115-E177 WeakPolarHBondContact CB-OE2 3.45Å; T115-E177 PolarHBondContact OG1-OE2 3.17Å; P116-E177 HydrophobicContact CB-CB 4.44Å; G117-E177 WeakPolarHBondContact CA-OE2 3.5Å; G117-E177 PolarHBondContact N-OE2 3.07Å; L132-E177 PolarHBondContact O-N 3.48Å; L133-E177 HydrophobicContact CD1-CB 3.98Å; L133-E177 HydrophobicContact CD1-CG 4.03Å; A134-E177 PolarHBondContact N-O 3.3Å; P175-E177 VanDerWaalsContact C-N 3.31Å; E177-G195 WeakPolarHBondContact CA-O 3.44Å; E177-G195 VanDerWaalsContact CG-O 3.3Å; E177-G195 WeakPolarHBondContact CG-O 3.28Å; E177-R197 HydrophobicContact CG-CG 3.88Å; E177-R197 WeakPolarHBondContact OE1-CG 3.4Å; E177-R197 IonicContact OE1-CZ 3.71Å; E177-R197 IonicContact OE1-NE 3.36Å; E177-R197 PolarHBondContact OE1-NE 3.23Å; E177-R197 IonicContact OE1-NH2 3.48Å; E177-Y243 PolarHBondContact OE1-OH 3.09Å
178L98.8Very high97.3Very high1 Ų132.5 Ų32.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-125.3109.3-174.8-179.763.6000110.3A134 I136 Y145 L170 P175 I190 G195 L196 R197A134-L178 HydrophobicContact CB-CD1 3.81Å; A134-L178 WeakPolarHBondContact O-CA 3.43Å; I136-L178 HydrophobicContact CB-CD1 4.09Å; I136-L178 HydrophobicContact CG2-CD1 3.82Å; I136-L178 HydrophobicContact CG2-CD2 4.3Å; I136-L178 HydrophobicContact CG2-CG 4.11Å; Y145-L178 HydrophobicContact CE2-CD1 4.05Å; L170-L178 HydrophobicContact CD2-CD1 4.21Å; L170-L178 HydrophobicContact CD2-CD2 3.96Å; P175-L178 HydrophobicContact CG-CB 4.34Å; P175-L178 HydrophobicContact CG-CD1 4.35Å; L178-I190 HydrophobicContact CD2-CB 4.19Å; L178-I190 HydrophobicContact CD2-CG2 3.77Å; L178-G195 PolarHBondContact N-O 3.49Å; L178-L196 HydrophobicContact CB-CD1 4.15Å; L178-L196 HydrophobicContact CD2-CD1 3.92Å; L178-L196 HydrophobicContact CG-CD1 4.15Å; L178-R197 PolarHBondContact O-N 3.26Å
179L98.8Very high97.3Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-79.1130.7171.7-46.3-178.1000109L133 A134 A135 I136 R197 R199 Y243L133-L179 HydrophobicContact CD1-CD1 4.27Å; L133-L179 HydrophobicContact CD1-CD2 4.14Å; L133-L179 HydrophobicContact CD1-CG 4Å; A134-L179 WeakPolarHBondContact O-CG 3.48Å; A134-L179 PolarHBondContact O-N 3.16Å; A135-L179 CarbonylContact C-O 3.46Å; A135-L179 VanDerWaalsContact CA-O 3.3Å; A135-L179 WeakPolarHBondContact CA-O 3.36Å; A135-L179 HydrophobicContact CB-CB 4.08Å; A135-L179 HydrophobicContact CB-CD1 4.42Å; I136-L179 PolarHBondContact N-O 2.85Å; L179-R197 WeakPolarHBondContact CA-O 3.5Å; L179-R197 HydrophobicContact CD2-CB 3.63Å; L179-R197 HydrophobicContact CD2-CG 3.96Å; L179-R199 HydrophobicContact CB-CG 3.97Å; L179-R199 HydrophobicContact CD2-CG 4.42Å; L179-Y243 VanDerWaalsContact CD1-CB 3.49Å; L179-Y243 HydrophobicContact CD1-CD1 4.04Å; L179-Y243 HydrophobicContact CD1-CD2 4.12Å; L179-Y243 HydrophobicContact CD1-CG 3.63Å; L179-Y243 HydrophobicContact CD2-CD1 4Å; L179-Y243 HydrophobicContact CD2-CD2 3.9Å; L179-Y243 HydrophobicContact CD2-CE1 3.96Å; L179-Y243 HydrophobicContact CD2-CE2 3.89Å; L179-Y243 HydrophobicContact CD2-CG 3.95Å; L179-Y243 HydrophobicContact CG-CG 4.43Å
180Y98.7Very high97.3Very high22 Ų2231.9 Ų31.99%0.08618%0.176CC..EExtended strand (participates in β ladder)trans-137144.5177.678-81.6000111.3F184 M187 I190 L196 R197 R198 R199Y180-F184 HydrophobicContact CD2-CB 3.93Å; Y180-F184 HydrophobicContact CD2-CG 4.5Å; Y180-M187 HydrophobicContact CE2-CE 4.12Å; Y180-M187 HydrophobicContact CE2-SD 4.13Å; Y180-I190 HydrophobicContact CD1-CD1 4.11Å; Y180-I190 HydrophobicContact CD2-CD1 3.53Å; Y180-I190 HydrophobicContact CE2-CD1 4.01Å; Y180-I190 HydrophobicContact CG-CD1 3.58Å; Y180-L196 HydrophobicContact CD1-CD1 3.76Å; Y180-L196 HydrophobicContact CD1-CD2 4.3Å; Y180-L196 HydrophobicContact CD1-CG 3.73Å; Y180-L196 HydrophobicContact CE1-CD1 4.13Å; Y180-L196 HydrophobicContact CE1-CD2 3.84Å; Y180-L196 HydrophobicContact CE1-CG 3.59Å; Y180-R197 VanDerWaalsContact CD1-C 3.5Å; Y180-R197 WeakPolarHBondContact CD1-O 3.45Å; Y180-R197 PolarHBondContact N-O 3.48Å; Y180-R198 HydrophobicContact CE1-CB 3.7Å; Y180-R198 HydrophobicContact CE1-CG 4.31Å; Y180-R198 VanDerWaalsContact CE1-N 3.29Å; Y180-R198 HydrophobicContact CE2-CB 4.36Å; Y180-R198 HydrophobicContact CE2-CG 4.07Å; Y180-R198 WeakPolarHBondContact OH-CB 3.43Å; Y180-R199 PolarHBondContact O-N 3.34Å
181A98.4Very high97.1Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-68.5147.6178.800000112.1D183 F184 F204A181-D183 WeakPolarHBondContact CB-OD1 3.42Å; A181-D183 PolarHBondContact O-N 2.78Å; A181-F184 VanDerWaalsContact O-CB 3.29Å; A181-F184 WeakPolarHBondContact O-CB 3.37Å; A181-F184 PolarHBondContact O-N 2.95Å; A181-F204 HydrophobicContact CB-CD2 3.73Å; A181-F204 HydrophobicContact CB-CE2 3.62Å; A181-F204 HydrophobicContact CB-CG 4.27Å; A181-F204 HydrophobicContact CB-CZ 4.07Å
182E97.1Very high97Very high85 Ų8539.6 Ų39.640%0.39724%0.236SC..THydrogen-bonded Turntrans-64.1-24.2-175.367.7-179125.100114.4R198 R199 P200 L201E182-R198 VanDerWaalsContact CA-CZ 3.49Å; E182-R198 HydrophobicContact CB-CG 4.33Å; E182-R198 PolarHBondContact O-NH1 3.16Å; E182-R198 PolarHBondContact O-NH2 3.4Å; E182-R199 PolarHBondContact N-O 2.94Å; E182-P200 WeakPolarHBondContact OE1-CA 3.5Å; E182-L201 HydrophobicContact CG-CB 4.21Å; E182-L201 PolarHBondContact OE1-N 2.88Å
183D97.2Very high97Very high81 Ų8140.9 Ų40.943%0.43324%0.241SC..THydrogen-bonded Turntrans-92.99.6179.366.1-23.4000114A181 A185 L201A181-D183 WeakPolarHBondContact CB-OD1 3.42Å; A181-D183 PolarHBondContact O-N 2.78Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-L201 WeakPolarHBondContact OD2-CD1 3.47Å
184F98Very high96.8Very high9 Ų947 Ų474%0.03926%0.262CS..  trans-58.2121.9179.7-163.5-99.4000111.8I136 Q138 F143 Y180 A181 E186 M187 I190I136-F184 HydrophobicContact CD1-CE2 3.78Å; I136-F184 HydrophobicContact CD1-CZ 3.62Å; I136-F184 HydrophobicContact CG1-CE2 3.79Å; I136-F184 HydrophobicContact CG1-CZ 4.17Å; I136-F184 HydrophobicContact CG2-CE2 4.29Å; Q138-F184 HydrophobicContact CB-CD2 3.67Å; Q138-F184 HydrophobicContact CB-CE2 3.66Å; F143-F184 HydrophobicContact CD1-CE2 4.09Å; F143-F184 HydrophobicContact CD1-CZ 4.33Å; F143-F184 HydrophobicContact CE1-CE2 4.03Å; F143-F184 AromaticContact CE1-CZ 3.92Å; F143-F184 HydrophobicContact CE1-CZ 3.92Å; Y180-F184 HydrophobicContact CD2-CB 3.93Å; Y180-F184 HydrophobicContact CD2-CG 4.5Å; A181-F184 VanDerWaalsContact O-CB 3.29Å; A181-F184 WeakPolarHBondContact O-CB 3.37Å; A181-F184 PolarHBondContact O-N 2.95Å; F184-E186 HydrophobicContact CE1-CB 4.2Å; F184-E186 VanDerWaalsContact CE1-O 3.29Å; F184-E186 WeakPolarHBondContact CE1-O 3.26Å; F184-M187 HydrophobicContact CB-SD 4.35Å; F184-M187 HydrophobicContact CD1-SD 3.99Å; F184-I190 HydrophobicContact CD1-CD1 3.53Å; F184-I190 HydrophobicContact CD1-CG1 4.09Å; F184-I190 HydrophobicContact CE1-CD1 3.8Å; F184-I190 HydrophobicContact CE1-CG1 3.97Å; F184-I190 HydrophobicContact CE1-CG2 3.92Å; F184-I190 HydrophobicContact CG-CD1 4.24Å; F184-I190 HydrophobicContact CZ-CG2 4.21Å
185A97.4Very high96.8Very high76 Ų7643.9 Ų43.963%0.62825%0.247SC*.SBendtrans-89.3-41.1-17200000112.8Q138 D183 M187Q138-A185 VanDerWaalsContact OE1-N 3.08Å; D183-A185 PolarHBondContact O-N 3.31Å; A185-M187 PolarHBondContact O-N 3.4Å
186E96.7Very high96.7Very high67 Ų6746 Ų4631%0.31326%0.258SS..  trans-82.552.9-175.6-76.7-66.7153.600113F143 R163 F184 S188 L189F143-E186 HydrophobicContact CZ-CB 4.45Å; F143-E186 HydrophobicContact CZ-CG 4.35Å; R163-E186 IonicContact NE-OE2 3.23Å; R163-E186 PolarHBondContact NE-OE2 3.43Å; F184-E186 HydrophobicContact CE1-CB 4.2Å; F184-E186 VanDerWaalsContact CE1-O 3.29Å; F184-E186 WeakPolarHBondContact CE1-O 3.26Å; E186-S188 PolarHBondContact O-N 2.89Å; E186-L189 HydrophobicContact CB-CD1 3.94Å; E186-L189 HydrophobicContact CB-CG 4.3Å; E186-L189 WeakPolarHBondContact O-CB 3.39Å; E186-L189 PolarHBondContact O-N 3.48Å
187M97.2Very high96.7Very high48 Ų4847.9 Ų47.924%0.23626%0.263CS..G310 helixtrans-53.1-28.6-175.7-68.1-60.3-58.700113.6Y180 F184 A185 L189 I190 E191Y180-M187 HydrophobicContact CE2-CE 4.12Å; Y180-M187 HydrophobicContact CE2-SD 4.13Å; F184-M187 HydrophobicContact CB-SD 4.35Å; F184-M187 HydrophobicContact CD1-SD 3.99Å; A185-M187 PolarHBondContact O-N 3.4Å; M187-L189 PolarHBondContact O-N 3.29Å; M187-I190 HydrophobicContact CE-CD1 3.81Å; M187-I190 HydrophobicContact CE-CG1 4Å; M187-I190 WeakPolarHBondContact O-CG1 3.43Å; M187-I190 PolarHBondContact O-N 3.23Å; M187-I190 HydrophobicContact SD-CD1 3.79Å; M187-I190 HydrophobicContact SD-CG1 4.22Å; M187-E191 HydrophobicContact CB-CG 4.15Å; M187-E191 VanDerWaalsContact CB-OE1 3.32Å; M187-E191 WeakPolarHBondContact CB-OE1 3.47Å; M187-E191 HydrophobicContact CE-CG 4.23Å; M187-E191 WeakPolarHBondContact O-CB 3.22Å; M187-E191 WeakPolarHBondContact O-CG 3.37Å; M187-E191 PolarHBondContact O-N 2.63Å
188S96.3Very high96.7Very high69 Ų6954.2 Ų54.248%0.48329%0.287SS..G310 helixtrans-55.3-21.8174.972.80000114.9R163 E186R163-S188 PolarHBondContact NH2-OG 3.23Å; E186-S188 PolarHBondContact O-N 2.89Å
189L95.9Very high96.7Very high16 Ų1657.2 Ų57.28%0.08430%0.299CS..G310 helixtrans-78.1-28.3175.5-69.9176.3000113.4F143 R163 M166 A167 L170 E186 M187F143-L189 HydrophobicContact CE1-CD1 4.05Å; F143-L189 HydrophobicContact CZ-CD1 3.89Å; R163-L189 HydrophobicContact CG-CD1 4.11Å; R163-L189 HydrophobicContact CG-CD2 3.89Å; R163-L189 HydrophobicContact CG-CG 4.22Å; M166-L189 HydrophobicContact CB-CD1 4.25Å; M166-L189 HydrophobicContact CG-CD1 3.91Å; A167-L189 HydrophobicContact CB-CD2 3.77Å; L170-L189 HydrophobicContact CD1-CB 4.25Å; E186-L189 HydrophobicContact CB-CD1 3.94Å; E186-L189 HydrophobicContact CB-CG 4.3Å; E186-L189 WeakPolarHBondContact O-CB 3.39Å; E186-L189 PolarHBondContact O-N 3.48Å; M187-L189 PolarHBondContact O-N 3.29Å
190I96.4Very high96.6Very high0 Ų059.1 Ų59.10%031%0.311CS..THydrogen-bonded Turntrans-118.9-19.7-166.964.1169000113.9I136 L170 L178 Y180 F184 M187 R193 L196I136-I190 HydrophobicContact CD1-CG2 4.31Å; I136-I190 HydrophobicContact CG2-CG2 4.39Å; L170-I190 HydrophobicContact CD1-CG2 4.26Å; L178-I190 HydrophobicContact CD2-CB 4.19Å; L178-I190 HydrophobicContact CD2-CG2 3.77Å; Y180-I190 HydrophobicContact CD1-CD1 4.11Å; Y180-I190 HydrophobicContact CD2-CD1 3.53Å; Y180-I190 HydrophobicContact CE2-CD1 4.01Å; Y180-I190 HydrophobicContact CG-CD1 3.58Å; F184-I190 HydrophobicContact CD1-CD1 3.53Å; F184-I190 HydrophobicContact CD1-CG1 4.09Å; F184-I190 HydrophobicContact CE1-CD1 3.8Å; F184-I190 HydrophobicContact CE1-CG1 3.97Å; F184-I190 HydrophobicContact CE1-CG2 3.92Å; F184-I190 HydrophobicContact CG-CD1 4.24Å; F184-I190 HydrophobicContact CZ-CG2 4.21Å; M187-I190 HydrophobicContact CE-CD1 3.81Å; M187-I190 HydrophobicContact CE-CG1 4Å; M187-I190 WeakPolarHBondContact O-CG1 3.43Å; M187-I190 PolarHBondContact O-N 3.23Å; M187-I190 HydrophobicContact SD-CD1 3.79Å; M187-I190 HydrophobicContact SD-CG1 4.22Å; I190-R193 WeakPolarHBondContact O-CB 3.39Å; I190-R193 VanDerWaalsContact O-CG 3.32Å; I190-R193 WeakPolarHBondContact O-CG 3.46Å; I190-R193 PolarHBondContact O-N 2.88Å; I190-L196 HydrophobicContact CB-CD1 4.05Å; I190-L196 HydrophobicContact CD1-CD1 4.3Å
191E94.3Very high96.6Very high130 Ų13061.6 Ų61.661%0.60733%0.325SS*.THydrogen-bonded Turntrans-57.6140.6175.5-79.8175.9-17100111.7M187 R193M187-E191 HydrophobicContact CB-CG 4.15Å; M187-E191 VanDerWaalsContact CB-OE1 3.32Å; M187-E191 WeakPolarHBondContact CB-OE1 3.47Å; M187-E191 HydrophobicContact CE-CG 4.23Å; M187-E191 WeakPolarHBondContact O-CB 3.22Å; M187-E191 WeakPolarHBondContact O-CG 3.37Å; M187-E191 PolarHBondContact O-N 2.63Å; E191-R193 PolarHBondContact O-N 3.35Å; E191-R193 VanDerWaalsContact O-N 3.16Å
192G92.6Very high96.6Very high89 Ų8969.1 Ų69.192%0.91835%0.354SS*.THydrogen-bonded Turntrans73.1-2.4-179.600000115.4
193R95.1Very high96.6Very high65 Ų6565.7 Ų65.725%0.24534%0.337CS..  trans-72.6144.3172.4-59.6-168.875.189.21.9110.7L170 I190 E191L170-R193 PolarHBondContact O-NH2 2.75Å; I190-R193 WeakPolarHBondContact O-CB 3.39Å; I190-R193 VanDerWaalsContact O-CG 3.32Å; I190-R193 WeakPolarHBondContact O-CG 3.46Å; I190-R193 PolarHBondContact O-N 2.88Å; E191-R193 PolarHBondContact O-N 3.35Å; E191-R193 VanDerWaalsContact O-N 3.16Å
194R93.7Very high96.7Very high143 Ų14362.1 Ų62.154%0.5432%0.318SS..THydrogen-bonded Turntrans-65.8152174.766.5-175.5174.7-144.70.9111.3N174 P175 L196N174-R194 VanDerWaalsContact CG-NH2 3.32Å; N174-R194 PolarHBondContact ND2-NH2 3.03Å; N174-R194 PolarHBondContact O-NH2 3.33Å; N174-R194 VanDerWaalsContact O-NH2 3.15Å; N174-R194 PolarHBondContact OD1-NH2 3.38Å; P175-R194 PolarHBondContact O-NE 3.23Å; R194-L196 PolarHBondContact O-N 3.08Å
195G95.3Very high96.7Very high8 Ų864.9 Ų64.98%0.08233%0.331CS..THydrogen-bonded Turntrans60.530.9172.600000114E177 L178E177-G195 WeakPolarHBondContact CA-O 3.44Å; E177-G195 VanDerWaalsContact CG-O 3.3Å; E177-G195 WeakPolarHBondContact CG-O 3.28Å; L178-G195 PolarHBondContact N-O 3.49Å
196L97.5Very high96.7Very high46 Ų4663.3 Ų63.324%0.24131%0.312CS..EExtended strand (participates in β ladder)trans-70.5135.3179.5-161.367.9000110.5L178 Y180 I190 R194L178-L196 HydrophobicContact CB-CD1 4.15Å; L178-L196 HydrophobicContact CD2-CD1 3.92Å; L178-L196 HydrophobicContact CG-CD1 4.15Å; Y180-L196 HydrophobicContact CD1-CD1 3.76Å; Y180-L196 HydrophobicContact CD1-CD2 4.3Å; Y180-L196 HydrophobicContact CD1-CG 3.73Å; Y180-L196 HydrophobicContact CE1-CD1 4.13Å; Y180-L196 HydrophobicContact CE1-CD2 3.84Å; Y180-L196 HydrophobicContact CE1-CG 3.59Å; I190-L196 HydrophobicContact CB-CD1 4.05Å; I190-L196 HydrophobicContact CD1-CD1 4.3Å; R194-L196 PolarHBondContact O-N 3.08Å
197R97.8Very high96.8Very high50 Ų5065.6 Ų65.619%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-135109-177.7-61.6-65.7177.7-103.98.9110.8G87 S89 E177 L178 L179 Y180 R199G87-R197 PolarHBondContact O-NH2 2.89Å; S89-R197 PolarHBondContact OG-NH2 3.21Å; E177-R197 HydrophobicContact CG-CG 3.88Å; E177-R197 WeakPolarHBondContact OE1-CG 3.4Å; E177-R197 IonicContact OE1-CZ 3.71Å; E177-R197 IonicContact OE1-NE 3.36Å; E177-R197 PolarHBondContact OE1-NE 3.23Å; E177-R197 IonicContact OE1-NH2 3.48Å; L178-R197 PolarHBondContact O-N 3.26Å; L179-R197 WeakPolarHBondContact CA-O 3.5Å; L179-R197 HydrophobicContact CD2-CB 3.63Å; L179-R197 HydrophobicContact CD2-CG 3.96Å; Y180-R197 VanDerWaalsContact CD1-C 3.5Å; Y180-R197 WeakPolarHBondContact CD1-O 3.45Å; Y180-R197 PolarHBondContact N-O 3.48Å; R197-R199 PolarHBondContact O-N 3.16Å
198R98Very high96.8Very high134 Ų13465.7 Ų65.751%0.50633%0.329SS..EExtended strand (participates in β ladder)trans-70.6126.7173.3-168.3174.3176.182.2-3.1109.2Y180 E182Y180-R198 HydrophobicContact CE1-CB 3.7Å; Y180-R198 HydrophobicContact CE1-CG 4.31Å; Y180-R198 VanDerWaalsContact CE1-N 3.29Å; Y180-R198 HydrophobicContact CE2-CB 4.36Å; Y180-R198 HydrophobicContact CE2-CG 4.07Å; Y180-R198 WeakPolarHBondContact OH-CB 3.43Å; E182-R198 VanDerWaalsContact CA-CZ 3.49Å; E182-R198 HydrophobicContact CB-CG 4.33Å; E182-R198 PolarHBondContact O-NH1 3.16Å; E182-R198 PolarHBondContact O-NH2 3.4Å
199R98.2Very high96.9Very high64 Ų6462.4 Ų62.424%0.24231%0.306CS..EExtended strand (participates in β ladder)trans-121.5144.9-178.5-64.8-48.2-53.5173.7-1.7111.1L179 Y180 E182 R197 E203 F204L179-R199 HydrophobicContact CB-CG 3.97Å; L179-R199 HydrophobicContact CD2-CG 4.42Å; Y180-R199 PolarHBondContact O-N 3.34Å; E182-R199 PolarHBondContact N-O 2.94Å; R197-R199 PolarHBondContact O-N 3.16Å; R199-E203 IonicContact CZ-OE1 3.11Å; R199-E203 IonicContact CZ-OE2 3.85Å; R199-E203 IonicContact NE-OE1 3.96Å; R199-E203 IonicContact NE-OE2 3.03Å; R199-E203 PolarHBondContact NE-OE2 2.89Å; R199-E203 VanDerWaalsContact NH2-CD 3.26Å; R199-E203 IonicContact NH2-OE1 2.91Å; R199-E203 PolarHBondContact NH2-OE1 3.21Å; R199-E203 IonicContact NH2-OE2 3.72Å; R199-E203 PolarHBondContact NH2-OE2 3.41Å; R199-F204 HydrophobicContact CB-CE2 3.86Å; R199-F204 HydrophobicContact CB-CZ 4.49Å
200P97.8Very high97.1Very high40 Ų4064.2 Ų64.226%0.2631%0.312SS..  trans-61.7151176.1-22.434000112.9E182 W202 E203E182-P200 WeakPolarHBondContact OE1-CA 3.5Å; P200-W202 VanDerWaalsContact C-N 3.27Å; P200-W202 HydrophobicContact CB-CG 4.2Å; P200-W202 HydrophobicContact CG-CZ2 4.4Å; P200-W202 PolarHBondContact O-N 3.45Å; P200-E203 PolarHBondContact O-N 3.09Å
201L97.7Very high97.1Very high74 Ų7468.9 Ų68.939%0.38733%0.334SS..G310 helixtrans-62.5-32-177.3-173.457.2000113.4E182 D183 E203 F204E182-L201 HydrophobicContact CG-CB 4.21Å; E182-L201 PolarHBondContact OE1-N 2.88Å; D183-L201 WeakPolarHBondContact OD2-CD1 3.47Å; L201-E203 PolarHBondContact O-N 3.46Å; L201-E203 VanDerWaalsContact O-N 3.15Å; L201-F204 PolarHBondContact O-N 3.34Å
202W97.9Very high97.3Very high158 Ų15864.5 Ų64.560%0.59831%0.314SS*.G310 helixtrans-63.5-19.9-179.764.3-100.3000113.5P200 F204 E205P200-W202 VanDerWaalsContact C-N 3.27Å; P200-W202 HydrophobicContact CB-CG 4.2Å; P200-W202 HydrophobicContact CG-CZ2 4.4Å; P200-W202 PolarHBondContact O-N 3.45Å; W202-F204 PolarHBondContact O-N 3.03Å; W202-E205 VanDerWaalsContact O-CB 3.31Å; W202-E205 WeakPolarHBondContact O-CB 3.44Å; W202-E205 PolarHBondContact O-N 3.09Å
203E98.3Very high97.6Very high12 Ų1260.3 Ų60.36%0.05627%0.27CS..G310 helixtrans-75-15.5176.6-67.8-169.4165.900113.6R199 P200 L201 C239 Q242R199-E203 IonicContact CZ-OE1 3.11Å; R199-E203 IonicContact CZ-OE2 3.85Å; R199-E203 IonicContact NE-OE1 3.96Å; R199-E203 IonicContact NE-OE2 3.03Å; R199-E203 PolarHBondContact NE-OE2 2.89Å; R199-E203 VanDerWaalsContact NH2-CD 3.26Å; R199-E203 IonicContact NH2-OE1 2.91Å; R199-E203 PolarHBondContact NH2-OE1 3.21Å; R199-E203 IonicContact NH2-OE2 3.72Å; R199-E203 PolarHBondContact NH2-OE2 3.41Å; P200-E203 PolarHBondContact O-N 3.09Å; L201-E203 PolarHBondContact O-N 3.46Å; L201-E203 VanDerWaalsContact O-N 3.15Å; E203-C239 HydrophobicContact CB-CB 4.22Å; E203-C239 WeakPolarHBondContact O-CA 3.48Å; E203-C239 WeakPolarHBondContact O-CB 3.41Å; E203-C239 PolarHBondContact O-N 3.47Å; E203-Q242 PolarHBondContact O-NE2 3.04Å; E203-Q242 VanDerWaalsContact O-NE2 3.15Å
204F98.5Very high97.8Very high6 Ų658.2 Ų58.23%0.02626%0.264CS..G310 helixtrans-100.913.8176.6-65-93.4000112.1A135 W137 A181 R199 L201 W202 C235 C239A135-F204 HydrophobicContact CB-CE1 4.45Å; W137-F204 HydrophobicContact CB-CD1 3.65Å; W137-F204 HydrophobicContact CB-CE1 3.87Å; W137-F204 HydrophobicContact CB-CG 4.5Å; W137-F204 AromaticContact CD1-CD1 3.83Å; W137-F204 AromaticContact CD1-CG 3.82Å; W137-F204 HydrophobicContact CG-CB 4.41Å; W137-F204 AromaticContact CG-CD1 3.91Å; W137-F204 HydrophobicContact CG-CD1 3.91Å; W137-F204 HydrophobicContact CG-CG 4.33Å; A181-F204 HydrophobicContact CB-CD2 3.73Å; A181-F204 HydrophobicContact CB-CE2 3.62Å; A181-F204 HydrophobicContact CB-CG 4.27Å; A181-F204 HydrophobicContact CB-CZ 4.07Å; R199-F204 HydrophobicContact CB-CE2 3.86Å; R199-F204 HydrophobicContact CB-CZ 4.49Å; L201-F204 PolarHBondContact O-N 3.34Å; W202-F204 PolarHBondContact O-N 3.03Å; F204-C235 HydrophobicContact CB-CB 4.31Å; F204-C235 WeakPolarHBondContact O-CB 3.35Å; F204-C235 PolarHBondContact O-SG 3.16Å; F204-C239 HydrophobicContact CD1-CB 3.86Å; F204-C239 HydrophobicContact CD2-CB 4.22Å; F204-C239 HydrophobicContact CE1-CB 3.64Å; F204-C239 HydrophobicContact CE2-CB 4.01Å; F204-C239 HydrophobicContact CG-CB 4.16Å; F204-C239 HydrophobicContact CZ-CB 3.72Å; F204-C239 WeakPolarHBondContact CZ-SG 3.45Å
205E98.1Very high98Very high68 Ų6856.5 Ų56.532%0.31827%0.265SS..  trans-70.3132.2178.4-161.3-68.6121.900110.7W202 D207 T208 A209W202-E205 VanDerWaalsContact O-CB 3.31Å; W202-E205 WeakPolarHBondContact O-CB 3.44Å; W202-E205 PolarHBondContact O-N 3.09Å; E205-D207 VanDerWaalsContact CD-N 3.32Å; E205-D207 PolarHBondContact OE1-N 3.31Å; E205-D207 WeakPolarHBondContact OE2-CA 3.33Å; E205-D207 WeakPolarHBondContact OE2-CB 3.47Å; E205-D207 PolarHBondContact OE2-N 3.31Å; E205-T208 WeakPolarHBondContact OE2-CB 3.45Å; E205-T208 PolarHBondContact OE2-N 3.22Å; E205-T208 PolarHBondContact OE2-OG1 2.87Å; E205-A209 WeakPolarHBondContact O-CB 3.3Å; E205-A209 PolarHBondContact O-N 2.98Å
206I98.3Very high98.1Very high42 Ų4257.8 Ų57.822%0.21527%0.269CS..Hα-helixtrans-69.9-40.6-168.4-178.858.4000112.9A209 R210 P231 L234I206-A209 PolarHBondContact O-N 2.99Å; I206-R210 HydrophobicContact CD1-CG 4.2Å; I206-R210 WeakPolarHBondContact O-CG 3Å; I206-R210 PolarHBondContact O-N 3.49Å; I206-P231 HydrophobicContact CD1-CB 3.97Å; I206-P231 HydrophobicContact CG1-CB 4.37Å; I206-L234 HydrophobicContact CD1-CB 3.73Å; I206-L234 HydrophobicContact CD1-CD1 4.18Å
207D98Very high98.1Very high115 Ų11556.9 Ų56.962%0.61526%0.263SS*.Hα-helixtrans-67.7-41.1-177.9-68.9-22.6000110.4E205 R210 Q211E205-D207 VanDerWaalsContact CD-N 3.32Å; E205-D207 PolarHBondContact OE1-N 3.31Å; E205-D207 WeakPolarHBondContact OE2-CA 3.33Å; E205-D207 WeakPolarHBondContact OE2-CB 3.47Å; E205-D207 PolarHBondContact OE2-N 3.31Å; D207-R210 PolarHBondContact O-N 3.43Å; D207-Q211 WeakPolarHBondContact O-CB 3.29Å; D207-Q211 PolarHBondContact O-N 2.96Å
208T98.2Very high98.1Very high50 Ų5057.9 Ų57.931%0.30729%0.289SS..Hα-helixtrans-63.4-43.8173.9-55.40000111.1E205 Q211 Q212E205-T208 WeakPolarHBondContact OE2-CB 3.45Å; E205-T208 PolarHBondContact OE2-N 3.22Å; E205-T208 PolarHBondContact OE2-OG1 2.87Å; T208-Q211 PolarHBondContact O-N 3.01Å; T208-Q212 WeakPolarHBondContact O-CB 3.37Å; T208-Q212 WeakPolarHBondContact O-CG 3.49Å; T208-Q212 PolarHBondContact O-N 3.39Å
209A98.5Very high98.1Very high0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-60.2-49.2176.200000111.8E205 I206 Q211 Q212 L213 L234E205-A209 WeakPolarHBondContact O-CB 3.3Å; E205-A209 PolarHBondContact O-N 2.98Å; I206-A209 PolarHBondContact O-N 2.99Å; A209-Q211 VanDerWaalsContact C-N 3.32Å; A209-Q211 PolarHBondContact O-N 3.31Å; A209-Q212 PolarHBondContact O-N 3.14Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CD1 3.02Å; A209-L213 VanDerWaalsContact O-CG 3.27Å; A209-L213 WeakPolarHBondContact O-CG 2.98Å; A209-L213 PolarHBondContact O-N 3.16Å; A209-L234 WeakPolarHBondContact CB-O 3.22Å
210R98.3Very high98Very high54 Ų5462.7 Ų62.720%0.20431%0.312CS..Hα-helixtrans-59-44.4176.3-73.4-177.9-170-80.3-7.1111.2I206 D207 N214 E228 L234I206-R210 HydrophobicContact CD1-CG 4.2Å; I206-R210 WeakPolarHBondContact O-CG 3Å; I206-R210 PolarHBondContact O-N 3.49Å; D207-R210 PolarHBondContact O-N 3.43Å; R210-N214 VanDerWaalsContact O-CB 3.29Å; R210-N214 WeakPolarHBondContact O-CB 3.41Å; R210-N214 PolarHBondContact O-N 3.4Å; R210-N214 PolarHBondContact O-ND2 3.32Å; R210-E228 IonicContact CZ-OE1 3.71Å; R210-E228 PolarHBondContact NH1-O 2.86Å; R210-E228 IonicContact NH1-OE1 3.36Å; R210-E228 PolarHBondContact NH1-OE1 2.82Å; R210-E228 IonicContact NH1-OE2 3.46Å; R210-E228 PolarHBondContact NH2-O 3.26Å; R210-L234 HydrophobicContact CG-CD1 4.37Å
211Q98.2Very high98Very high98 Ų9864.5 Ų64.546%0.45832%0.32SS..Hα-helixtrans-62.7-47.3179.7-175.3-80.6-30.600111.7D207 T208 A209 L215D207-Q211 WeakPolarHBondContact O-CB 3.29Å; D207-Q211 PolarHBondContact O-N 2.96Å; T208-Q211 PolarHBondContact O-N 3.01Å; A209-Q211 VanDerWaalsContact C-N 3.32Å; A209-Q211 PolarHBondContact O-N 3.31Å; Q211-L215 VanDerWaalsContact O-CB 3.29Å; Q211-L215 WeakPolarHBondContact O-CB 3.34Å; Q211-L215 PolarHBondContact O-N 3.38Å
212Q98Very high98Very high39 Ų3961 Ų6118%0.18230%0.302CS..Hα-helixtrans-69.4-39.9-178.6-73.7-64.7-51.300112.7T208 A209 L215 Q216 L241 Q242T208-Q212 WeakPolarHBondContact O-CB 3.37Å; T208-Q212 WeakPolarHBondContact O-CG 3.49Å; T208-Q212 PolarHBondContact O-N 3.39Å; A209-Q212 PolarHBondContact O-N 3.14Å; Q212-L215 PolarHBondContact O-N 3.02Å; Q212-Q216 WeakPolarHBondContact O-CB 3.28Å; Q212-Q216 PolarHBondContact O-N 3.08Å; Q212-L241 HydrophobicContact CB-CD2 4.15Å; Q212-Q242 HydrophobicContact CG-CG 4.45Å
213L98.5Very high98Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-65.4-46.5177.5-72.8164.1000111.2F155 A209 L215 Q216 F217 L222 L234 A237 L241 I258F155-L213 HydrophobicContact CE1-CD2 3.78Å; F155-L213 HydrophobicContact CZ-CD2 4.27Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 WeakPolarHBondContact O-CD1 3.02Å; A209-L213 VanDerWaalsContact O-CG 3.27Å; A209-L213 WeakPolarHBondContact O-CG 2.98Å; A209-L213 PolarHBondContact O-N 3.16Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 PolarHBondContact O-N 3.23Å; L213-Q216 PolarHBondContact O-N 3.43Å; L213-F217 HydrophobicContact CB-CD2 4.41Å; L213-F217 HydrophobicContact CB-CE2 4.09Å; L213-F217 HydrophobicContact CD2-CE2 3.8Å; L213-F217 HydrophobicContact CD2-CZ 4.04Å; L213-F217 WeakPolarHBondContact O-CD2 3.16Å; L213-F217 WeakPolarHBondContact O-CG 3.44Å; L213-F217 PolarHBondContact O-N 2.86Å; L213-L222 HydrophobicContact CB-CD1 4.05Å; L213-L222 HydrophobicContact CB-CD2 4.11Å; L213-L222 HydrophobicContact CD1-CD1 4.08Å; L213-L234 HydrophobicContact CD1-CD2 3.61Å; L213-A237 HydrophobicContact CD1-CB 4.15Å; L213-A237 HydrophobicContact CD2-CB 4.43Å; L213-L241 HydrophobicContact CD2-CD2 3.91Å; L213-L241 HydrophobicContact CG-CD2 4.27Å; L213-I258 HydrophobicContact CD2-CD1 4.31Å
214N98.4Very high97.9Very high21 Ų2161 Ų6111%0.11234%0.335CS..Hα-helixtrans-61.6-42.1175.8-82.5-59.4000112.1R210 Q216 F217 G218 T219 D221 L222R210-N214 VanDerWaalsContact O-CB 3.29Å; R210-N214 WeakPolarHBondContact O-CB 3.41Å; R210-N214 PolarHBondContact O-N 3.4Å; R210-N214 PolarHBondContact O-ND2 3.32Å; N214-Q216 VanDerWaalsContact C-N 3.33Å; N214-Q216 PolarHBondContact O-N 3.15Å; N214-F217 PolarHBondContact O-N 3.39Å; N214-G218 PolarHBondContact O-N 3.37Å; N214-T219 WeakPolarHBondContact CB-O 3.48Å; N214-T219 PolarHBondContact O-N 3.33Å; N214-T219 PolarHBondContact OD1-O 2.85Å; N214-T219 PolarHBondContact OD1-OG1 3.05Å; N214-D221 WeakPolarHBondContact OD1-CA 3.41Å; N214-D221 PolarHBondContact OD1-N 3.44Å; N214-D221 VanDerWaalsContact OD1-N 3.15Å; N214-D221 PolarHBondContact OD1-O 2.91Å; N214-D221 VanDerWaalsContact OD1-O 3.12Å; N214-L222 WeakPolarHBondContact OD1-CD2 3.49Å
215L98Very high97.9Very high108 Ų10862.9 Ų62.957%0.56534%0.344SS*.Hα-helixtrans-61.2-41.8175.3179.762.5000111.9Q211 Q212 L213Q211-L215 VanDerWaalsContact O-CB 3.29Å; Q211-L215 WeakPolarHBondContact O-CB 3.34Å; Q211-L215 PolarHBondContact O-N 3.38Å; Q212-L215 PolarHBondContact O-N 3.02Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 PolarHBondContact O-N 3.23Å
216Q98Very high97.8Very high35 Ų3561.3 Ų61.316%0.16435%0.346CS..Hα-helixtrans-66.3-39.4178.3175.161.243.100112.3Q212 L213 N214 L241 L252 I255Q212-Q216 WeakPolarHBondContact O-CB 3.28Å; Q212-Q216 PolarHBondContact O-N 3.08Å; L213-Q216 PolarHBondContact O-N 3.43Å; N214-Q216 VanDerWaalsContact C-N 3.33Å; N214-Q216 PolarHBondContact O-N 3.15Å; Q216-L241 HydrophobicContact CB-CD1 4.5Å; Q216-L241 HydrophobicContact CB-CD2 3.81Å; Q216-L241 HydrophobicContact CG-CD1 4.07Å; Q216-L241 HydrophobicContact CG-CD2 4.19Å; Q216-L252 PolarHBondContact NE2-O 3.35Å; Q216-I255 PolarHBondContact NE2-O 2.95Å
217F97.9Very high97.8Very high26 Ų2659.3 Ų59.311%0.11434%0.335CS..Hα-helixtrans-89.9-6.8-177.4-57-40.3000114.1F155 L213 N214 T219 L222 F225 I255 R256 I258F155-F217 HydrophobicContact CD1-CZ 4.13Å; F155-F217 HydrophobicContact CE1-CZ 4.48Å; L213-F217 HydrophobicContact CB-CD2 4.41Å; L213-F217 HydrophobicContact CB-CE2 4.09Å; L213-F217 HydrophobicContact CD2-CE2 3.8Å; L213-F217 HydrophobicContact CD2-CZ 4.04Å; L213-F217 WeakPolarHBondContact O-CD2 3.16Å; L213-F217 WeakPolarHBondContact O-CG 3.44Å; L213-F217 PolarHBondContact O-N 2.86Å; N214-F217 PolarHBondContact O-N 3.39Å; F217-T219 VanDerWaalsContact C-N 3.28Å; F217-T219 HydrophobicContact CB-CG2 4.15Å; F217-T219 PolarHBondContact O-N 3.4Å; F217-L222 HydrophobicContact CD2-CD2 3.91Å; F217-L222 HydrophobicContact CE2-CD2 4.35Å; F217-F225 HydrophobicContact CB-CE2 3.82Å; F217-F225 HydrophobicContact CB-CZ 3.79Å; F217-F225 HydrophobicContact CD2-CD2 4.16Å; F217-F225 AromaticContact CD2-CE2 3.62Å; F217-F225 HydrophobicContact CD2-CE2 3.62Å; F217-F225 HydrophobicContact CD2-CZ 4.06Å; F217-F225 HydrophobicContact CE2-CE2 4.47Å; F217-F225 AromaticContact CG-CE2 3.9Å; F217-F225 HydrophobicContact CG-CE2 3.9Å; F217-F225 AromaticContact CG-CZ 3.92Å; F217-F225 HydrophobicContact CG-CZ 3.92Å; F217-I255 HydrophobicContact CE1-CG2 4.16Å; F217-R256 VanDerWaalsContact CD1-C 3.47Å; F217-I258 HydrophobicContact CE2-CB 4.03Å; F217-I258 HydrophobicContact CE2-CG2 3.62Å; F217-I258 HydrophobicContact CZ-CB 3.84Å; F217-I258 HydrophobicContact CZ-CG2 3.98Å
218G97.2Very high97.7Very high71 Ų7156.3 Ų56.373%0.73232%0.318SS*.THydrogen-bonded Turntrans66.529.2-175.700000113.1N214N214-G218 PolarHBondContact O-N 3.37Å
219T97.9Very high97.5Very high50 Ų5061.3 Ų61.331%0.30734%0.343SS..  trans-109.2159.2-176.955.20000112.1N214 F217 D221 F225N214-T219 WeakPolarHBondContact CB-O 3.48Å; N214-T219 PolarHBondContact O-N 3.33Å; N214-T219 PolarHBondContact OD1-O 2.85Å; N214-T219 PolarHBondContact OD1-OG1 3.05Å; F217-T219 VanDerWaalsContact C-N 3.28Å; F217-T219 HydrophobicContact CB-CG2 4.15Å; F217-T219 PolarHBondContact O-N 3.4Å; T219-D221 VanDerWaalsContact CB-O 3.28Å; T219-D221 WeakPolarHBondContact CB-O 3.27Å; T219-D221 PolarHBondContact OG1-O 3.3Å; T219-F225 HydrophobicContact CG2-CE2 3.77Å; T219-F225 HydrophobicContact CG2-CZ 4.02Å
220R97Very high97.5Very high249 Ų24961.4 Ų61.494%0.9434%0.343SS*.SBendtrans-82.9-36.1172.5-70.1-172.1179172.40.8112.4
221D97.4Very high97.4Very high79 Ų7961.5 Ų61.542%0.42235%0.351SS..  trans-142.5172.1178.158.459.6000109.5N214 T219 V223N214-D221 WeakPolarHBondContact OD1-CA 3.41Å; N214-D221 PolarHBondContact OD1-N 3.44Å; N214-D221 VanDerWaalsContact OD1-N 3.15Å; N214-D221 PolarHBondContact OD1-O 2.91Å; N214-D221 VanDerWaalsContact OD1-O 3.12Å; T219-D221 VanDerWaalsContact CB-O 3.28Å; T219-D221 WeakPolarHBondContact CB-O 3.27Å; T219-D221 PolarHBondContact OG1-O 3.3Å; D221-V223 HydrophobicContact CB-CG2 4.27Å; D221-V223 VanDerWaalsContact OD1-CB 3.27Å; D221-V223 WeakPolarHBondContact OD1-CB 3.49Å; D221-V223 WeakPolarHBondContact OD1-CG2 3.3Å; D221-V223 PolarHBondContact OD1-N 3.42Å; D221-V223 VanDerWaalsContact OD1-N 3.12Å
222L98Very high97.4Very high0 Ų059.3 Ų59.30%034%0.338CS..SBendtrans-103.219.2-178.4-52.6173.3000112.2L213 N214 F217 G224 F225 G226 V227 E228 L234L213-L222 HydrophobicContact CB-CD1 4.05Å; L213-L222 HydrophobicContact CB-CD2 4.11Å; L213-L222 HydrophobicContact CD1-CD1 4.08Å; N214-L222 WeakPolarHBondContact OD1-CD2 3.49Å; F217-L222 HydrophobicContact CD2-CD2 3.91Å; F217-L222 HydrophobicContact CE2-CD2 4.35Å; L222-G224 VanDerWaalsContact C-N 3.34Å; L222-G224 PolarHBondContact O-N 3.39Å; L222-F225 HydrophobicContact CB-CD2 4.33Å; L222-F225 HydrophobicContact CD2-CD2 3.97Å; L222-F225 HydrophobicContact CD2-CE2 4.23Å; L222-F225 PolarHBondContact O-N 2.96Å; L222-G226 PolarHBondContact O-N 3.39Å; L222-V227 HydrophobicContact CB-CG2 3.56Å; L222-V227 HydrophobicContact CD1-CG2 4.07Å; L222-V227 HydrophobicContact CG-CG2 4.37Å; L222-E228 WeakPolarHBondContact CA-OE2 3.23Å; L222-E228 WeakPolarHBondContact CB-OE2 3.42Å; L222-E228 PolarHBondContact N-OE2 2.9Å; L222-L234 HydrophobicContact CD1-CD1 4.28Å; L222-L234 HydrophobicContact CD1-CD2 3.54Å
223V97.6Very high97.4Very high91 Ų9157.5 Ų57.555%0.55233%0.33SS*.G310 helixtrans-62.3-43-177.9176.20000110.6D221 F225 G226 E228D221-V223 HydrophobicContact CB-CG2 4.27Å; D221-V223 VanDerWaalsContact OD1-CB 3.27Å; D221-V223 WeakPolarHBondContact OD1-CB 3.49Å; D221-V223 WeakPolarHBondContact OD1-CG2 3.3Å; D221-V223 PolarHBondContact OD1-N 3.42Å; D221-V223 VanDerWaalsContact OD1-N 3.12Å; V223-F225 PolarHBondContact O-N 2.96Å; V223-F225 VanDerWaalsContact O-N 3.16Å; V223-G226 PolarHBondContact O-N 3.48Å; V223-E228 HydrophobicContact CG2-CB 4.06Å; V223-E228 HydrophobicContact CG2-CG 3.93Å
224G96.8Very high97.4Very high78 Ų7857.5 Ų57.580%0.80433%0.33SS*.G310 helixtrans-63.2-20.6-179.700000114.7L222L222-G224 VanDerWaalsContact C-N 3.34Å; L222-G224 PolarHBondContact O-N 3.39Å
225F97.3Very high97.5Very high47 Ų4756.9 Ų56.921%0.20633%0.327CS..G310 helixtrans-92-8.1176.2-58.7-62.4000112.9F217 T219 L222 V223 V227 S257 I258F217-F225 HydrophobicContact CB-CE2 3.82Å; F217-F225 HydrophobicContact CB-CZ 3.79Å; F217-F225 HydrophobicContact CD2-CD2 4.16Å; F217-F225 AromaticContact CD2-CE2 3.62Å; F217-F225 HydrophobicContact CD2-CE2 3.62Å; F217-F225 HydrophobicContact CD2-CZ 4.06Å; F217-F225 HydrophobicContact CE2-CE2 4.47Å; F217-F225 AromaticContact CG-CE2 3.9Å; F217-F225 HydrophobicContact CG-CE2 3.9Å; F217-F225 AromaticContact CG-CZ 3.92Å; F217-F225 HydrophobicContact CG-CZ 3.92Å; T219-F225 HydrophobicContact CG2-CE2 3.77Å; T219-F225 HydrophobicContact CG2-CZ 4.02Å; L222-F225 HydrophobicContact CB-CD2 4.33Å; L222-F225 HydrophobicContact CD2-CD2 3.97Å; L222-F225 HydrophobicContact CD2-CE2 4.23Å; L222-F225 PolarHBondContact O-N 2.96Å; V223-F225 PolarHBondContact O-N 2.96Å; V223-F225 VanDerWaalsContact O-N 3.16Å; F225-V227 VanDerWaalsContact C-N 3.31Å; F225-V227 HydrophobicContact CB-CG2 4Å; F225-V227 PolarHBondContact O-N 2.95Å; F225-S257 WeakPolarHBondContact CD1-OG 3.49Å; F225-I258 HydrophobicContact CB-CG2 4.01Å; F225-I258 HydrophobicContact CD2-CG2 4.46Å; F225-I258 HydrophobicContact CG-CG2 4.16Å
226G96.5Very high97.5Very high35 Ų3551.7 Ų51.736%0.36130%0.3SS..THydrogen-bonded Turntrans70.524.3-178.900000114.3L222 V223 R262L222-G226 PolarHBondContact O-N 3.39Å; V223-G226 PolarHBondContact O-N 3.48Å; G226-R262 PolarHBondContact O-NH2 3.12Å
227V97.8Very high97.5Very high0 Ų050 Ų500%029%0.292CS..  trans-116.6-7.6-177-60.10000114.3L157 L222 F225 N229 A230 L234 I258 M260L157-V227 HydrophobicContact CD1-CG1 4.27Å; L157-V227 HydrophobicContact CD2-CB 3.8Å; L157-V227 HydrophobicContact CD2-CG1 3.54Å; L157-V227 HydrophobicContact CG-CG1 4Å; L222-V227 HydrophobicContact CB-CG2 3.56Å; L222-V227 HydrophobicContact CD1-CG2 4.07Å; L222-V227 HydrophobicContact CG-CG2 4.37Å; F225-V227 VanDerWaalsContact C-N 3.31Å; F225-V227 HydrophobicContact CB-CG2 4Å; F225-V227 PolarHBondContact O-N 2.95Å; V227-N229 PolarHBondContact O-N 3.43Å; V227-A230 PolarHBondContact O-N 2.87Å; V227-L234 HydrophobicContact CB-CD2 4.26Å; V227-L234 HydrophobicContact CG2-CD2 3.95Å; V227-L234 WeakPolarHBondContact O-CD1 3.5Å; V227-I258 HydrophobicContact CG1-CG2 4.16Å; V227-I258 HydrophobicContact CG2-CG2 3.89Å; V227-M260 HydrophobicContact CG1-CB 4.09Å
228E96.3Very high97.6Very high51 Ų5148.8 Ų48.824%0.23829%0.287CS..THydrogen-bonded Turntrans-51.2-35.8-177.1-170.264.1-150.800112.9R210 L222 V223R210-E228 IonicContact CZ-OE1 3.71Å; R210-E228 PolarHBondContact NH1-O 2.86Å; R210-E228 IonicContact NH1-OE1 3.36Å; R210-E228 PolarHBondContact NH1-OE1 2.82Å; R210-E228 IonicContact NH1-OE2 3.46Å; R210-E228 PolarHBondContact NH2-O 3.26Å; L222-E228 WeakPolarHBondContact CA-OE2 3.23Å; L222-E228 WeakPolarHBondContact CB-OE2 3.42Å; L222-E228 PolarHBondContact N-OE2 2.9Å; V223-E228 HydrophobicContact CG2-CB 4.06Å; V223-E228 HydrophobicContact CG2-CG 3.93Å
229N94.2Very high97.6Very high156 Ų15645.4 Ų45.483%0.83425%0.252SS*.THydrogen-bonded Turntrans-88.67.5-178-67.1-28.4000114.7V227 P231V227-N229 PolarHBondContact O-N 3.43Å; N229-P231 WeakPolarHBondContact O-CD 3.33Å
230A97.5Very high97.7Very high1 Ų143 Ų431%0.00824%0.237CC..  trans-114.563.3-176.400000111.9L157 E159 V227 R232 G233 L234 M260L157-A230 HydrophobicContact CD1-CB 3.96Å; E159-A230 HydrophobicContact CG-CB 4.36Å; E159-A230 WeakPolarHBondContact OE1-CA 3.49Å; V227-A230 PolarHBondContact O-N 2.87Å; A230-R232 VanDerWaalsContact C-N 3.28Å; A230-R232 PolarHBondContact O-N 3.45Å; A230-G233 PolarHBondContact O-N 3.45Å; A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.47Å; A230-M260 HydrophobicContact CB-CE 4Å; A230-M260 HydrophobicContact CB-SD 4.04Å
231P97.6Very high97.7Very high57 Ų5731.2 Ų31.237%0.3719%0.193SC..Hα-helixtrans-59.3-34.9-173.125.3-34.4000113.3I206 N229 L234 C235I206-P231 HydrophobicContact CD1-CB 3.97Å; I206-P231 HydrophobicContact CG1-CB 4.37Å; N229-P231 WeakPolarHBondContact O-CD 3.33Å; P231-L234 PolarHBondContact O-N 3.48Å; P231-C235 PolarHBondContact O-N 3.46Å; P231-C235 PolarHBondContact O-SG 2.87Å
232R98.1Very high97.8Very high52 Ų5229.2 Ų29.220%0.19618%0.181CC..Hα-helixtrans-66.8-44.8-179.3-52.7-175.8-82.3169.7-0.6110W137 D139 G144 E159 A230 L234 C235 A236W137-R232 HydrophobicContact CE3-CB 4.15Å; W137-R232 HydrophobicContact CZ3-CB 3.84Å; W137-R232 HydrophobicContact CZ3-CG 3.83Å; D139-R232 VanDerWaalsContact OD2-CD 3.28Å; D139-R232 WeakPolarHBondContact OD2-CD 3.34Å; G144-R232 VanDerWaalsContact CA-O 3.29Å; G144-R232 WeakPolarHBondContact CA-O 3.32Å; E159-R232 HydrophobicContact CG-CB 4.13Å; E159-R232 WeakPolarHBondContact OE1-CB 3.46Å; E159-R232 PolarHBondContact OE1-N 3.34Å; E159-R232 IonicContact OE1-NE 3.03Å; E159-R232 IonicContact OE2-CZ 2.8Å; E159-R232 IonicContact OE2-NE 3.96Å; E159-R232 PolarHBondContact OE2-NE 3.35Å; E159-R232 VanDerWaalsContact OE2-NE 3.11Å; E159-R232 IonicContact OE2-NH2 3.54Å; E159-R232 PolarHBondContact OE2-NH2 2.75Å; A230-R232 VanDerWaalsContact C-N 3.28Å; A230-R232 PolarHBondContact O-N 3.45Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-C235 PolarHBondContact O-N 3.49Å; R232-A236 PolarHBondContact O-N 2.73Å
233G98.3Very high97.8Very high0 Ų030.3 Ų30.30%019%0.185CC..Hα-helixtrans-64.7-37174.200000112.9E159 A230 A236 A237E159-G233 PolarHBondContact OE1-N 3.38Å; A230-G233 PolarHBondContact O-N 3.45Å; G233-A236 PolarHBondContact O-N 2.99Å; G233-A237 WeakPolarHBondContact O-CB 3.46Å; G233-A237 PolarHBondContact O-N 3.36Å
234L98.6Very high97.9Very high0 Ų026 Ų260%016%0.159CC..Hα-helixtrans-65.4-40.5176.9-71.1174.7000112.6L157 I206 A209 R210 L213 L222 V227 A230 P231 R232 A236 A237 G238L157-L234 HydrophobicContact CD2-CD2 4.13Å; I206-L234 HydrophobicContact CD1-CB 3.73Å; I206-L234 HydrophobicContact CD1-CD1 4.18Å; A209-L234 WeakPolarHBondContact CB-O 3.22Å; R210-L234 HydrophobicContact CG-CD1 4.37Å; L213-L234 HydrophobicContact CD1-CD2 3.61Å; L222-L234 HydrophobicContact CD1-CD1 4.28Å; L222-L234 HydrophobicContact CD1-CD2 3.54Å; V227-L234 HydrophobicContact CB-CD2 4.26Å; V227-L234 HydrophobicContact CG2-CD2 3.95Å; V227-L234 WeakPolarHBondContact O-CD1 3.5Å; A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.47Å; P231-L234 PolarHBondContact O-N 3.48Å; R232-L234 VanDerWaalsContact C-N 3.34Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.46Å; L234-A237 PolarHBondContact O-N 3.24Å; L234-G238 PolarHBondContact O-N 2.77Å
235C98.6Very high97.9Very high8 Ų825 Ų255%0.05413%0.132CC..Hα-helixtrans-55.4-48174.2-70.50000111.5W137 F204 P231 R232 G238 C239W137-C235 HydrophobicContact CD2-CB 4.41Å; W137-C235 HydrophobicContact CE3-CB 4.43Å; F204-C235 HydrophobicContact CB-CB 4.31Å; F204-C235 WeakPolarHBondContact O-CB 3.35Å; F204-C235 PolarHBondContact O-SG 3.16Å; P231-C235 PolarHBondContact O-N 3.46Å; P231-C235 PolarHBondContact O-SG 2.87Å; R232-C235 PolarHBondContact O-N 3.49Å; C235-G238 PolarHBondContact O-N 2.87Å; C235-C239 PolarHBondContact O-N 2.9Å
236A98.7Very high97.9Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-63.5-44.7175.500000112.1A135 A146 R232 G233 L234 G238 C239 L240A135-A236 HydrophobicContact CB-CB 4.22Å; A135-A236 WeakPolarHBondContact CB-O 3.41Å; A146-A236 HydrophobicContact CB-CB 4Å; R232-A236 PolarHBondContact O-N 2.73Å; G233-A236 PolarHBondContact O-N 2.99Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-A236 PolarHBondContact O-N 3.46Å; A236-G238 VanDerWaalsContact C-N 3.29Å; A236-G238 PolarHBondContact O-N 3.15Å; A236-C239 PolarHBondContact O-N 3.36Å; A236-L240 WeakPolarHBondContact O-CB 3.37Å; A236-L240 PolarHBondContact O-N 2.97Å
237A98.8Very high98Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-62.8-34.7177.700000112.7A146 F155 L213 G233 L234 L240 L241 I258A146-A237 HydrophobicContact CB-CB 3.93Å; F155-A237 HydrophobicContact CE2-CB 4.05Å; F155-A237 HydrophobicContact CZ-CB 3.8Å; L213-A237 HydrophobicContact CD1-CB 4.15Å; L213-A237 HydrophobicContact CD2-CB 4.43Å; G233-A237 WeakPolarHBondContact O-CB 3.46Å; G233-A237 PolarHBondContact O-N 3.36Å; L234-A237 PolarHBondContact O-N 3.24Å; A237-L240 PolarHBondContact O-N 3.46Å; A237-L241 WeakPolarHBondContact O-CB 3.22Å; A237-L241 PolarHBondContact O-N 3.35Å; A237-I258 HydrophobicContact CB-CD1 3.74Å
238G98.6Very high98Very high0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-63.6-49.3175.600000112.7L234 C235 A236 L240 L241 Q242L234-G238 PolarHBondContact O-N 2.77Å; C235-G238 PolarHBondContact O-N 2.87Å; A236-G238 VanDerWaalsContact C-N 3.29Å; A236-G238 PolarHBondContact O-N 3.15Å; G238-L240 VanDerWaalsContact C-N 3.33Å; G238-L240 PolarHBondContact O-N 3.39Å; G238-L241 PolarHBondContact O-N 2.84Å; G238-Q242 WeakPolarHBondContact O-CG 3.37Å; G238-Q242 PolarHBondContact O-N 3.19Å; G238-Q242 VanDerWaalsContact O-N 3.08Å; G238-Q242 PolarHBondContact O-NE2 3.07Å
239C98.8Very high98Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-59.5-45.8174.2176.40000110.9E203 F204 C235 A236 L241 Q242 Y243E203-C239 HydrophobicContact CB-CB 4.22Å; E203-C239 WeakPolarHBondContact O-CA 3.48Å; E203-C239 WeakPolarHBondContact O-CB 3.41Å; E203-C239 PolarHBondContact O-N 3.47Å; F204-C239 HydrophobicContact CD1-CB 3.86Å; F204-C239 HydrophobicContact CD2-CB 4.22Å; F204-C239 HydrophobicContact CE1-CB 3.64Å; F204-C239 HydrophobicContact CE2-CB 4.01Å; F204-C239 HydrophobicContact CG-CB 4.16Å; F204-C239 HydrophobicContact CZ-CB 3.72Å; F204-C239 WeakPolarHBondContact CZ-SG 3.45Å; C235-C239 PolarHBondContact O-N 2.9Å; A236-C239 PolarHBondContact O-N 3.36Å; C239-L241 PolarHBondContact O-N 3.46Å; C239-Q242 PolarHBondContact O-N 3.23Å; C239-Y243 PolarHBondContact O-N 3.2Å
240L98.7Very high98Very high0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-58.3-48.8179.7-162.7157.6000112L133 A135 A146 L148 F155 A236 A237 G238 Y243 A244L133-L240 HydrophobicContact CD2-CD2 3.85Å; L133-L240 HydrophobicContact CD2-CG 3.91Å; L133-L240 HydrophobicContact CG-CD1 4.44Å; L133-L240 HydrophobicContact CG-CD2 4.33Å; L133-L240 HydrophobicContact CG-CG 4.05Å; A135-L240 HydrophobicContact CB-CB 3.86Å; A135-L240 HydrophobicContact CB-CD1 4.23Å; A135-L240 HydrophobicContact CB-CG 4.4Å; A146-L240 HydrophobicContact CB-CD1 3.99Å; A146-L240 WeakPolarHBondContact O-CD1 3.48Å; L148-L240 HydrophobicContact CB-CD1 4.24Å; L148-L240 HydrophobicContact CB-CD2 3.34Å; L148-L240 HydrophobicContact CB-CG 4.42Å; L148-L240 HydrophobicContact CD2-CD2 3.64Å; L148-L240 HydrophobicContact CG-CD2 4.12Å; F155-L240 HydrophobicContact CE2-CD1 4.22Å; F155-L240 HydrophobicContact CE2-CD2 3.94Å; F155-L240 HydrophobicContact CE2-CG 4.46Å; F155-L240 HydrophobicContact CZ-CB 4.49Å; F155-L240 HydrophobicContact CZ-CD2 4.1Å; A236-L240 WeakPolarHBondContact O-CB 3.37Å; A236-L240 PolarHBondContact O-N 2.97Å; A237-L240 PolarHBondContact O-N 3.46Å; G238-L240 VanDerWaalsContact C-N 3.33Å; G238-L240 PolarHBondContact O-N 3.39Å; L240-Y243 PolarHBondContact O-N 2.93Å; L240-A244 PolarHBondContact O-N 3.31Å
241L98.6Very high97.8Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-64.9-40.8-179.6177.361.4000111.8F155 Q212 L213 Q216 A237 G238 C239 Y243 A244 K245F155-L241 HydrophobicContact CE1-CB 4.4Å; F155-L241 HydrophobicContact CZ-CB 4.47Å; Q212-L241 HydrophobicContact CB-CD2 4.15Å; L213-L241 HydrophobicContact CD2-CD2 3.91Å; L213-L241 HydrophobicContact CG-CD2 4.27Å; Q216-L241 HydrophobicContact CB-CD1 4.5Å; Q216-L241 HydrophobicContact CB-CD2 3.81Å; Q216-L241 HydrophobicContact CG-CD1 4.07Å; Q216-L241 HydrophobicContact CG-CD2 4.19Å; A237-L241 WeakPolarHBondContact O-CB 3.22Å; A237-L241 PolarHBondContact O-N 3.35Å; G238-L241 PolarHBondContact O-N 2.84Å; C239-L241 PolarHBondContact O-N 3.46Å; L241-Y243 VanDerWaalsContact C-N 3.32Å; L241-Y243 PolarHBondContact O-N 2.98Å; L241-A244 PolarHBondContact O-N 2.84Å; L241-K245 HydrophobicContact CD1-CD 4.07Å; L241-K245 HydrophobicContact CD1-CG 4.24Å; L241-K245 HydrophobicContact CG-CD 4.04Å; L241-K245 WeakPolarHBondContact O-CG 3.05Å; L241-K245 PolarHBondContact O-N 3.12Å
242Q98.5Very high97.8Very high38 Ų3826 Ų2618%0.17813%0.13CC..Hα-helixtrans-59.7-44.2175.1-74.2172.89100111.2E203 Q212 G238 C239 K245 D246E203-Q242 PolarHBondContact O-NE2 3.04Å; E203-Q242 VanDerWaalsContact O-NE2 3.15Å; Q212-Q242 HydrophobicContact CG-CG 4.45Å; G238-Q242 WeakPolarHBondContact O-CG 3.37Å; G238-Q242 PolarHBondContact O-N 3.19Å; G238-Q242 VanDerWaalsContact O-N 3.08Å; G238-Q242 PolarHBondContact O-NE2 3.07Å; C239-Q242 PolarHBondContact O-N 3.23Å; Q242-K245 PolarHBondContact O-N 3.25Å; Q242-D246 PolarHBondContact O-N 2.85Å
243Y98.6Very high97.8Very high22 Ų2225.8 Ų25.89%0.08614%0.135CC..Hα-helixtrans-63.9-43.4176.3-164.9-99.2000112.6T115 T118 L133 E177 L179 C239 L240 L241 K245 D246 T247T115-Y243 HydrophobicContact CG2-CE1 4.31Å; T118-Y243 HydrophobicContact CG2-CD1 4.17Å; T118-Y243 HydrophobicContact CG2-CE1 4.12Å; L133-Y243 HydrophobicContact CD1-CD1 3.96Å; L133-Y243 HydrophobicContact CD1-CE1 4.09Å; L133-Y243 HydrophobicContact CD2-CD1 3.79Å; E177-Y243 PolarHBondContact OE1-OH 3.09Å; L179-Y243 VanDerWaalsContact CD1-CB 3.49Å; L179-Y243 HydrophobicContact CD1-CD1 4.04Å; L179-Y243 HydrophobicContact CD1-CD2 4.12Å; L179-Y243 HydrophobicContact CD1-CG 3.63Å; L179-Y243 HydrophobicContact CD2-CD1 4Å; L179-Y243 HydrophobicContact CD2-CD2 3.9Å; L179-Y243 HydrophobicContact CD2-CE1 3.96Å; L179-Y243 HydrophobicContact CD2-CE2 3.89Å; L179-Y243 HydrophobicContact CD2-CG 3.95Å; L179-Y243 HydrophobicContact CG-CG 4.43Å; C239-Y243 PolarHBondContact O-N 3.2Å; L240-Y243 PolarHBondContact O-N 2.93Å; L241-Y243 VanDerWaalsContact C-N 3.32Å; L241-Y243 PolarHBondContact O-N 2.98Å; Y243-K245 VanDerWaalsContact C-N 3.31Å; Y243-K245 PolarHBondContact O-N 3.34Å; Y243-D246 PolarHBondContact O-N 3.03Å; Y243-T247 HydrophobicContact CD1-CG2 3.97Å; Y243-T247 HydrophobicContact CE1-CG2 3.77Å; Y243-T247 WeakPolarHBondContact O-CB 3.36Å; Y243-T247 VanDerWaalsContact O-CG2 3.29Å; Y243-T247 WeakPolarHBondContact O-CG2 3.22Å; Y243-T247 PolarHBondContact O-N 2.89Å; Y243-T247 PolarHBondContact O-OG1 2.87Å
244A98.4Very high97.7Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-60.5-40.9175.900000111.6L148 L240 L241 T247 Q248 L252L148-A244 HydrophobicContact CD2-CB 3.96Å; L240-A244 PolarHBondContact O-N 3.31Å; L241-A244 PolarHBondContact O-N 2.84Å; A244-T247 PolarHBondContact O-OG1 3.3Å; A244-Q248 WeakPolarHBondContact O-CB 3.06Å; A244-Q248 WeakPolarHBondContact O-CG 3.44Å; A244-Q248 PolarHBondContact O-N 3.16Å; A244-Q248 VanDerWaalsContact O-N 3.1Å; A244-L252 HydrophobicContact CB-CD1 4.02Å
245K98Very high97.7Very high57 Ų5727 Ų2725%0.24814%0.14CC..Hα-helixtrans-68-42.4177.3-69.6170.497.6173.60112.5L241 Q242 Y243 R249 L252L241-K245 HydrophobicContact CD1-CD 4.07Å; L241-K245 HydrophobicContact CD1-CG 4.24Å; L241-K245 HydrophobicContact CG-CD 4.04Å; L241-K245 WeakPolarHBondContact O-CG 3.05Å; L241-K245 PolarHBondContact O-N 3.12Å; Q242-K245 PolarHBondContact O-N 3.25Å; Y243-K245 VanDerWaalsContact C-N 3.31Å; Y243-K245 PolarHBondContact O-N 3.34Å; K245-R249 WeakPolarHBondContact O-CA 3.33Å; K245-R249 PolarHBondContact O-N 3.17Å; K245-L252 HydrophobicContact CG-CD1 4Å
246D97.6Very high97.6Very high70 Ų7034.4 Ų34.437%0.37417%0.167SC..Hα-helixtrans-69.6-34.3178.9-179.746.8000112.7I113 Q242 Y243 R249I113-D246 WeakPolarHBondContact CD1-OD2 3.16Å; Q242-D246 PolarHBondContact O-N 2.85Å; Y243-D246 PolarHBondContact O-N 3.03Å; D246-R249 WeakPolarHBondContact O-CG 3.29Å; D246-R249 PolarHBondContact O-NE 3.33Å; D246-R249 VanDerWaalsContact O-NE 3.12Å; D246-R249 IonicContact OD1-CZ 2.61Å; D246-R249 IonicContact OD1-NE 3.54Å; D246-R249 IonicContact OD1-NH2 3.99Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å
247T98.1Very high97.6Very high1 Ų136.6 Ų36.61%0.00618%0.183CC..Hα-helixtrans-72.5-41177.653.90000112.6R112 I113 T115 T118 Y243 A244R112-T247 CarbonylContact C-O 3.54Å; R112-T247 VanDerWaalsContact CA-O 3.3Å; R112-T247 WeakPolarHBondContact CA-O 3.39Å; I113-T247 HydrophobicContact CB-CG2 4.18Å; I113-T247 PolarHBondContact N-O 3.38Å; I113-T247 WeakPolarHBondContact O-CB 3.28Å; T115-T247 HydrophobicContact CG2-CG2 3.72Å; T118-T247 HydrophobicContact CG2-CG2 4.1Å; T118-T247 WeakPolarHBondContact CG2-OG1 3.42Å; Y243-T247 HydrophobicContact CD1-CG2 3.97Å; Y243-T247 HydrophobicContact CE1-CG2 3.77Å; Y243-T247 WeakPolarHBondContact O-CB 3.36Å; Y243-T247 VanDerWaalsContact O-CG2 3.29Å; Y243-T247 WeakPolarHBondContact O-CG2 3.22Å; Y243-T247 PolarHBondContact O-N 2.89Å; Y243-T247 PolarHBondContact O-OG1 2.87Å; A244-T247 PolarHBondContact O-OG1 3.3Å
248Q97.1Very high97.6Very high23 Ų2336.7 Ų36.711%0.10718%0.183CC..Hα-helixtrans-87.3-32.4-178.7-57.8-49.5-62.800113.8T118 I150 A244 T250 L252 L357T118-Q248 PolarHBondContact O-NE2 3.08Å; T118-Q248 VanDerWaalsContact O-NE2 3.1Å; I150-Q248 HydrophobicContact CD1-CG 3.63Å; A244-Q248 WeakPolarHBondContact O-CB 3.06Å; A244-Q248 WeakPolarHBondContact O-CG 3.44Å; A244-Q248 PolarHBondContact O-N 3.16Å; A244-Q248 VanDerWaalsContact O-N 3.1Å; Q248-T250 PolarHBondContact O-N 3.43Å; Q248-T250 VanDerWaalsContact O-N 3.09Å; Q248-L252 HydrophobicContact CB-CD2 3.87Å; Q248-L252 HydrophobicContact CG-CD2 3.87Å; Q248-L357 HydrophobicContact CB-CD2 4.39Å; Q248-L357 HydrophobicContact CG-CD2 4.2Å
249R96.1Very high97.5Very high91 Ų9139.4 Ų39.434%0.34320%0.2SC..  trans53.625.2-178.5-53.8-170.8167.8-154.7-9.9115.2H24 V110 K245 D246H24-R249 PolarHBondContact CE1-NH2 3.4Å; V110-R249 WeakPolarHBondContact O-CD 3.34Å; V110-R249 PolarHBondContact O-NH1 3.08Å; K245-R249 WeakPolarHBondContact O-CA 3.33Å; K245-R249 PolarHBondContact O-N 3.17Å; D246-R249 WeakPolarHBondContact O-CG 3.29Å; D246-R249 PolarHBondContact O-NE 3.33Å; D246-R249 VanDerWaalsContact O-NE 3.12Å; D246-R249 IonicContact OD1-CZ 2.61Å; D246-R249 IonicContact OD1-NE 3.54Å; D246-R249 IonicContact OD1-NH2 3.99Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å
250T94.1Very high97.5Very high70 Ų7041.1 Ų41.143%0.42921%0.208SC..SBendtrans-130170.8174.456.50000109.5Q248Q248-T250 PolarHBondContact O-N 3.43Å; Q248-T250 VanDerWaalsContact O-N 3.09Å
251T94.9Very high97.4Very high113 Ų11342.9 Ų42.969%0.69322%0.216SC*.  trans-65.6146.7167.651.30000110.3P253T251-P253 WeakPolarHBondContact O-CD 3.49Å
252L97.4Very high97.2Very high2 Ų247.5 Ų47.51%0.0123%0.234CC..  trans-115.665.4-177.5-57175.7000111.3Q216 A244 K245 Q248 H254 I255 L357Q216-L252 PolarHBondContact NE2-O 3.35Å; A244-L252 HydrophobicContact CB-CD1 4.02Å; K245-L252 HydrophobicContact CG-CD1 4Å; Q248-L252 HydrophobicContact CB-CD2 3.87Å; Q248-L252 HydrophobicContact CG-CD2 3.87Å; L252-H254 PolarHBondContact O-N 3.21Å; L252-I255 HydrophobicContact CB-CB 4.45Å; L252-I255 HydrophobicContact CB-CD1 3.85Å; L252-I255 HydrophobicContact CB-CG1 4.14Å; L252-I255 HydrophobicContact CD1-CD1 3.78Å; L252-I255 HydrophobicContact CG-CD1 4.35Å; L252-I255 PolarHBondContact O-N 3.39Å; L252-L357 HydrophobicContact CD2-CD2 3.41Å; L252-L357 VanDerWaalsContact CD2-CD2 3.41Å
253P96.8Very high96.7Very high47 Ų4750.1 Ų50.131%0.30525%0.246SC..THydrogen-bonded Turntrans-69.3-16.7-167.629-36.3000114.5T251 I255 A356T251-P253 WeakPolarHBondContact O-CD 3.49Å; P253-I255 VanDerWaalsContact C-N 3.31Å; P253-A356 WeakPolarHBondContact CD-O 3.28Å; P253-A356 HydrophobicContact CG-CB 4.01Å
254H97.3Very high96.5Very high24 Ų2455.4 Ų55.411%0.11127%0.272CS..THydrogen-bonded Turntrans-75.1-20.5172.760.8-53000112.9I150 L252 R256 A356I150-H254 PolarHBondContact O-CD2 2.94Å; I150-H254 PolarHBondContact O-NE2 2.87Å; L252-H254 PolarHBondContact O-N 3.21Å; H254-R256 VanDerWaalsContact C-N 3.34Å; H254-R256 PolarHBondContact O-N 2.74Å; H254-R256 VanDerWaalsContact O-N 3.1Å; H254-A356 HydrophobicContact CB-CB 3.67Å; H254-A356 WeakPolarHBondContact ND1-CB 3.32Å
255I98Very high96.3Very high0 Ų058.6 Ų58.60%029%0.289CS..  trans-85.879.1173.8-50.8179.1000108.7L148 F155 Q216 F217 L252 P253L148-I255 HydrophobicContact CD1-CD1 3.94Å; L148-I255 HydrophobicContact CD1-CG1 4.22Å; L148-I255 HydrophobicContact CD2-CD1 3.76Å; L148-I255 HydrophobicContact CG-CD1 4.48Å; F155-I255 HydrophobicContact CB-CG2 4.47Å; F155-I255 HydrophobicContact CD1-CG2 3.77Å; F155-I255 HydrophobicContact CE1-CG2 4.49Å; Q216-I255 PolarHBondContact NE2-O 2.95Å; F217-I255 HydrophobicContact CE1-CG2 4.16Å; L252-I255 HydrophobicContact CB-CB 4.45Å; L252-I255 HydrophobicContact CB-CD1 3.85Å; L252-I255 HydrophobicContact CB-CG1 4.14Å; L252-I255 HydrophobicContact CD1-CD1 3.78Å; L252-I255 HydrophobicContact CG-CD1 4.35Å; L252-I255 PolarHBondContact O-N 3.39Å; P253-I255 VanDerWaalsContact C-N 3.31Å
256R97.1Very high96.2Very high164 Ų16457 Ų5762%0.61929%0.285SS*.  trans-106.6-3-17466.917964.4-175.2-1.2115.1F217 H254F217-R256 VanDerWaalsContact CD1-C 3.47Å; H254-R256 VanDerWaalsContact C-N 3.34Å; H254-R256 PolarHBondContact O-N 2.74Å; H254-R256 VanDerWaalsContact O-N 3.1Å
257S97.9Very high96.2Very high47 Ų4758 Ų5833%0.32929%0.289SS..  trans-158154.9-175.8-174.60000110.9F155 F225F155-S257 WeakPolarHBondContact CB-O 3.33Å; F225-S257 WeakPolarHBondContact CD1-OG 3.49Å
258I98.5Very high95.8Very high1 Ų162 Ų621%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-128.7150.7169.7-169.2162.2000108.9F155 L157 L213 F217 F225 V227 A237F155-I258 HydrophobicContact CB-CB 4.48Å; F155-I258 HydrophobicContact CB-CG1 4.37Å; F155-I258 HydrophobicContact CD1-CB 4.35Å; F155-I258 HydrophobicContact CD1-CD1 3.99Å; F155-I258 HydrophobicContact CD1-CG1 4.3Å; F155-I258 HydrophobicContact CD2-CD1 3.94Å; F155-I258 HydrophobicContact CD2-CG1 4.25Å; F155-I258 HydrophobicContact CE1-CD1 3.97Å; F155-I258 HydrophobicContact CE2-CD1 3.93Å; F155-I258 HydrophobicContact CG-CB 4.4Å; F155-I258 HydrophobicContact CG-CD1 3.99Å; F155-I258 HydrophobicContact CG-CG1 4.05Å; F155-I258 HydrophobicContact CZ-CD1 3.95Å; L157-I258 HydrophobicContact CB-CD1 4.45Å; L157-I258 HydrophobicContact CD2-CD1 3.7Å; L157-I258 HydrophobicContact CD2-CG1 4.06Å; L157-I258 HydrophobicContact CG-CD1 4.44Å; L157-I258 HydrophobicContact CG-CG1 4.49Å; L213-I258 HydrophobicContact CD2-CD1 4.31Å; F217-I258 HydrophobicContact CE2-CB 4.03Å; F217-I258 HydrophobicContact CE2-CG2 3.62Å; F217-I258 HydrophobicContact CZ-CB 3.84Å; F217-I258 HydrophobicContact CZ-CG2 3.98Å; F225-I258 HydrophobicContact CB-CG2 4.01Å; F225-I258 HydrophobicContact CD2-CG2 4.46Å; F225-I258 HydrophobicContact CG-CG2 4.16Å; V227-I258 HydrophobicContact CG1-CG2 4.16Å; V227-I258 HydrophobicContact CG2-CG2 3.89Å; A237-I258 HydrophobicContact CB-CD1 3.74Å
259T98.1Very high95.7Very high57 Ų5761.9 Ų61.935%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-136.7134.4-179.6-48.70000110.5F155 R156 L157F155-T259 PolarHBondContact O-N 3.42Å; R156-T259 WeakPolarHBondContact CA-O 3.33Å; L157-T259 PolarHBondContact N-O 2.7Å
260M98Very high95.5Very high36 Ų3661.5 Ų61.518%0.17731%0.314CS..EExtended strand (participates in β ladder)trans-77.4127.9171.2-172.2173.8-16900110.7L157 E159 V227 A230 R262L157-M260 HydrophobicContact CD1-CB 3.9Å; L157-M260 HydrophobicContact CD1-CG 3.72Å; L157-M260 HydrophobicContact CD1-SD 4.49Å; L157-M260 CarbonylContact O-C 3.54Å; L157-M260 WeakPolarHBondContact O-CA 3.21Å; E159-M260 HydrophobicContact CG-CE 4.41Å; V227-M260 HydrophobicContact CG1-CB 4.09Å; A230-M260 HydrophobicContact CB-CE 4Å; A230-M260 HydrophobicContact CB-SD 4.04Å; M260-R262 HydrophobicContact CE-CG 4.44Å; M260-R262 HydrophobicContact CG-CG 3.98Å; M260-R262 HydrophobicContact SD-CG 4.05Å
261E96.3Very high95.3Very high37 Ų3759.7 Ų59.717%0.17331%0.306CS..  trans-92.3107.1167.7-62.5-176.5156.700108.1R156 L157 R172R156-E261 HydrophobicContact CB-CG 4.35Å; R156-E261 HydrophobicContact CG-CG 4.47Å; L157-E261 PolarHBondContact O-N 2.83Å; R172-E261 IonicContact CZ-OE2 3.44Å; R172-E261 IonicContact NH1-OE1 3.75Å; R172-E261 IonicContact NH1-OE2 2.68Å; R172-E261 PolarHBondContact NH1-OE2 3.22Å; R172-E261 IonicContact NH2-OE2 3.61Å; R172-E261 PolarHBondContact NH2-OE2 2.82Å
262R93.6Very high95.3Very high98 Ų9856.8 Ų56.837%0.3729%0.293SS..  trans-92145.8179.8-53.9-178.3179.285.95.1110.6G226 M260 Q264 D265G226-R262 PolarHBondContact O-NH2 3.12Å; M260-R262 HydrophobicContact CE-CG 4.44Å; M260-R262 HydrophobicContact CG-CG 3.98Å; M260-R262 HydrophobicContact SD-CG 4.05Å; R262-Q264 HydrophobicContact CB-CG 4.19Å; R262-Q264 PolarHBondContact O-N 3.39Å; R262-D265 WeakPolarHBondContact CB-OD2 3.33Å; R262-D265 IonicContact NH1-OD2 3.21Å; R262-D265 PolarHBondContact O-N 3.07Å
263E89.2Confident95.1Very high93 Ų9359.1 Ų59.144%0.43531%0.308SS..G310 helixtrans-52.5-40.1176.6-72.6-175.2-175.200112.9D265 S266 I268E263-D265 VanDerWaalsContact C-N 3.29Å; E263-D265 PolarHBondContact O-N 3.48Å; E263-S266 VanDerWaalsContact O-O 3.08Å; E263-I268 HydrophobicContact CB-CD1 3.77Å; E263-I268 HydrophobicContact CG-CD1 3.79Å
264Q93.4Very high95Very high133 Ų13357.4 Ų57.462%0.62130%0.295SS*.G310 helixtrans-73.5-15.4-178.569.5-175.715.100114.7R262 R316R262-Q264 HydrophobicContact CB-CG 4.19Å; R262-Q264 PolarHBondContact O-N 3.39Å; Q264-R316 VanDerWaalsContact O-CD 3.31Å; Q264-R316 WeakPolarHBondContact O-CD 3.33Å
265D94.9Very high94.8Very high67 Ų6760.5 Ų60.536%0.35831%0.306SS..G310 helixtrans-85.4-15.1-174.7-62.2-16.7000111.7R262 E263 R316R262-D265 WeakPolarHBondContact CB-OD2 3.33Å; R262-D265 IonicContact NH1-OD2 3.21Å; R262-D265 PolarHBondContact O-N 3.07Å; E263-D265 VanDerWaalsContact C-N 3.29Å; E263-D265 PolarHBondContact O-N 3.48Å; D265-R316 PolarHBondContact O-N 3.49Å
266S96.2Very high94.8Very high24 Ų2465.7 Ų65.717%0.16833%0.334CS..BIsolated β-bridgetrans-137.5163.4-176.368.30000113.3E263 I268 P314 R316E263-S266 VanDerWaalsContact O-O 3.08Å; S266-I268 PolarHBondContact O-N 3.26Å; S266-P314 CarbonylContact C-O 3.57Å; S266-P314 WeakPolarHBondContact CA-O 3.32Å; S266-P314 VanDerWaalsContact CB-O 3.31Å; S266-P314 WeakPolarHBondContact CB-O 3.39Å; S266-R316 WeakPolarHBondContact O-CD 3.2Å
267I96.2Very high94.8Very high91 Ų9162.9 Ų62.947%0.46733%0.33SS..  trans-81.1111.8169.1-58.6-179.4000108M269 P314 R316I267-M269 HydrophobicContact CG2-CG 4.45Å; I267-M269 PolarHBondContact O-N 3.13Å; I267-P314 HydrophobicContact CB-CB 4.11Å; I267-P314 HydrophobicContact CB-CG 4.32Å; I267-P314 HydrophobicContact CD1-CB 4.06Å; I267-P314 HydrophobicContact CG1-CB 4.16Å; I267-P314 PolarHBondContact N-O 3.48Å; I267-R316 HydrophobicContact CG1-CG 4.12Å
268I91.6Very high94.8Very high83 Ų8363.4 Ų63.443%0.42633%0.328SS..  trans-72.6120.7174.2-56.7175000108.2E263 S266E263-I268 HydrophobicContact CB-CD1 3.77Å; E263-I268 HydrophobicContact CG-CD1 3.79Å; S266-I268 PolarHBondContact O-N 3.26Å
269M93.6Very high94.8Very high21 Ų2163.7 Ų63.710%0.10333%0.329CS..  trans-112.5125.4171.4-66177.8-76.300107.9I267 T273 R274 L277 I279 P314I267-M269 HydrophobicContact CG2-CG 4.45Å; I267-M269 PolarHBondContact O-N 3.13Å; M269-T273 HydrophobicContact CB-CG2 4.05Å; M269-T273 HydrophobicContact CG-CG2 4.13Å; M269-T273 HydrophobicContact SD-CG2 4.39Å; M269-R274 HydrophobicContact CB-CG 3.97Å; M269-R274 PolarHBondContact O-NE 3.43Å; M269-L277 HydrophobicContact SD-CD1 4.47Å; M269-I279 HydrophobicContact CE-CD1 4.05Å; M269-I279 HydrophobicContact SD-CD1 4.14Å; M269-P314 HydrophobicContact CE-CG 3.92Å
270D92.3Very high94.8Very high84 Ų8463.3 Ų63.345%0.44933%0.327SS..  trans-64.8170.5175.469.621.1000112A272 T273 R274D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 3.08Å; D270-A272 PolarHBondContact OD1-N 3.06Å; D270-T273 PolarHBondContact O-N 3.39Å; D270-T273 WeakPolarHBondContact OD1-CA 3.43Å; D270-T273 WeakPolarHBondContact OD1-CB 3.34Å; D270-T273 PolarHBondContact OD1-N 3.33Å; D270-T273 PolarHBondContact OD1-OG1 3.27Å; D270-R274 WeakPolarHBondContact O-CG 3.38Å; D270-R274 PolarHBondContact O-N 3.15Å
271A90.2Very high94.7Very high31 Ų3165.4 Ų65.426%0.25634%0.336SS..Hα-helixtrans-56.9-43.6-17900000113Q171 R274 R275Q171-A271 PolarHBondContact NE2-O 3.24Å; Q171-A271 PolarHBondContact OE1-O 3.41Å; Q171-A271 VanDerWaalsContact OE1-O 3.14Å; A271-R274 PolarHBondContact O-N 3.03Å; A271-R275 PolarHBondContact O-N 3.3Å
272A93.6Very high94.7Very high52 Ų5264.6 Ų64.643%0.4333%0.333SS..Hα-helixtrans-67.1-45-177.900000111.7D270 R274 R275 N276D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 3.08Å; D270-A272 PolarHBondContact OD1-N 3.06Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 3.41Å; A272-R275 PolarHBondContact O-N 3.01Å; A272-N276 WeakPolarHBondContact O-CB 3.08Å; A272-N276 PolarHBondContact O-N 3.37Å; A272-N276 PolarHBondContact O-ND2 2.85Å
273T95Very high94.8Very high51 Ų5164.6 Ų64.631%0.31334%0.34SS..Hα-helixtrans-55.8-47.4176.6-61.60000110.4M269 D270 R275 N276 L277M269-T273 HydrophobicContact CB-CG2 4.05Å; M269-T273 HydrophobicContact CG-CG2 4.13Å; M269-T273 HydrophobicContact SD-CG2 4.39Å; D270-T273 PolarHBondContact O-N 3.39Å; D270-T273 WeakPolarHBondContact OD1-CA 3.43Å; D270-T273 WeakPolarHBondContact OD1-CB 3.34Å; D270-T273 PolarHBondContact OD1-N 3.33Å; D270-T273 PolarHBondContact OD1-OG1 3.27Å; T273-R275 PolarHBondContact O-N 3.29Å; T273-N276 PolarHBondContact O-N 3Å; T273-L277 HydrophobicContact CG2-CD1 3.68Å; T273-L277 HydrophobicContact CG2-CG 4.19Å; T273-L277 VanDerWaalsContact O-CB 3.31Å; T273-L277 WeakPolarHBondContact O-CB 3.29Å; T273-L277 VanDerWaalsContact O-CG 3.26Å; T273-L277 WeakPolarHBondContact O-CG 3.44Å; T273-L277 PolarHBondContact O-N 2.87Å
274R94.7Very high95.2Very high11 Ų1165 Ų654%0.04236%0.359CS..Hα-helixtrans-63.6-38.3179.3-69.2173.2-175-77.82.4113.2M269 D270 A271 A272 I279 H312M269-R274 HydrophobicContact CB-CG 3.97Å; M269-R274 PolarHBondContact O-NE 3.43Å; D270-R274 WeakPolarHBondContact O-CG 3.38Å; D270-R274 PolarHBondContact O-N 3.15Å; A271-R274 PolarHBondContact O-N 3.03Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 3.41Å; R274-I279 HydrophobicContact CB-CD1 4.48Å; R274-I279 HydrophobicContact CG-CD1 4.27Å; R274-H312 PolarHBondContact NH1-ND1 3.43Å; R274-H312 PolarHBondContact NH1-O 3.43Å; R274-H312 PolarHBondContact NH2-O 2.95Å; R274-H312 VanDerWaalsContact NH2-O 3.1Å
275R92.9Very high95.2Very high90 Ų9060.3 Ų60.334%0.3435%0.347SS..Hα-helixtrans-69.6-45.3175.5-71.8-54.1-61.7-91.5-2111.5A271 A272 T273 E278 L283A271-R275 PolarHBondContact O-N 3.3Å; A272-R275 PolarHBondContact O-N 3.01Å; T273-R275 PolarHBondContact O-N 3.29Å; R275-E278 WeakPolarHBondContact O-CG 3.49Å; R275-E278 PolarHBondContact O-N 3.21Å; R275-E278 VanDerWaalsContact O-N 3.16Å; R275-L283 HydrophobicContact CB-CD2 4.41Å; R275-L283 PolarHBondContact NH2-O 3.42Å; R275-L283 VanDerWaalsContact NH2-O 3.12Å
276N97.2Very high95.3Very high109 Ų10958.3 Ų58.358%0.58334%0.342SS*.Hα-helixtrans-72.6-29.1-175.1-68.5-11.2000113A272 T273 E278A272-N276 WeakPolarHBondContact O-CB 3.08Å; A272-N276 PolarHBondContact O-N 3.37Å; A272-N276 PolarHBondContact O-ND2 2.85Å; T273-N276 PolarHBondContact O-N 3Å; N276-E278 VanDerWaalsContact C-N 3.25Å
277L97.8Very high95.3Very high104 Ų10460.1 Ų60.155%0.54536%0.358SS..THydrogen-bonded Turntrans-81.8-3.1172.8-66.3-177.9000113.3M269 T273 I279M269-L277 HydrophobicContact SD-CD1 4.47Å; T273-L277 HydrophobicContact CG2-CD1 3.68Å; T273-L277 HydrophobicContact CG2-CG 4.19Å; T273-L277 VanDerWaalsContact O-CB 3.31Å; T273-L277 WeakPolarHBondContact O-CB 3.29Å; T273-L277 VanDerWaalsContact O-CG 3.26Å; T273-L277 WeakPolarHBondContact O-CG 3.44Å; T273-L277 PolarHBondContact O-N 2.87Å; L277-I279 VanDerWaalsContact C-N 3.25Å; L277-I279 HydrophobicContact CB-CG1 3.98Å; L277-I279 PolarHBondContact O-N 3.35Å; L277-I279 VanDerWaalsContact O-N 3.12Å
278E97.5Very high95.3Very high59 Ų5961.5 Ų61.528%0.27636%0.363SS..THydrogen-bonded Turntrans46.247.7175.9-59.1-172.2109.400112.8R275 N276 Q281 N282 L283 T290 L291R275-E278 WeakPolarHBondContact O-CG 3.49Å; R275-E278 PolarHBondContact O-N 3.21Å; R275-E278 VanDerWaalsContact O-N 3.16Å; N276-E278 VanDerWaalsContact C-N 3.25Å; E278-Q281 WeakPolarHBondContact CA-O 3.39Å; E278-N282 WeakPolarHBondContact OE1-CA 3.02Å; E278-N282 WeakPolarHBondContact OE1-CB 3.48Å; E278-L283 HydrophobicContact CG-CG 4.22Å; E278-L283 PolarHBondContact OE1-N 3.34Å; E278-T290 CarbonylContact O-C 3.58Å; E278-T290 WeakPolarHBondContact O-CA 3.41Å; E278-T290 WeakPolarHBondContact O-CB 3.09Å; E278-L291 PolarHBondContact O-N 3.19Å
279I98Very high95.6Very high7 Ų764.4 Ų64.44%0.03638%0.379CS..SBendtrans-61.6-56.2-167.9-56.5177.2000111.1M269 R274 L277 L291 A292 L311 H312M269-I279 HydrophobicContact CE-CD1 4.05Å; M269-I279 HydrophobicContact SD-CD1 4.14Å; R274-I279 HydrophobicContact CB-CD1 4.48Å; R274-I279 HydrophobicContact CG-CD1 4.27Å; L277-I279 VanDerWaalsContact C-N 3.25Å; L277-I279 HydrophobicContact CB-CG1 3.98Å; L277-I279 PolarHBondContact O-N 3.35Å; L277-I279 VanDerWaalsContact O-N 3.12Å; I279-L291 PolarHBondContact O-N 3.49Å; I279-A292 VanDerWaalsContact O-CB 3.3Å; I279-A292 WeakPolarHBondContact O-CB 3.39Å; I279-A292 PolarHBondContact O-N 2.76Å; I279-L311 HydrophobicContact CG2-CB 3.71Å; I279-L311 HydrophobicContact CG2-CD1 4.48Å; I279-H312 WeakPolarHBondContact CG2-NE2 3.39Å
280T97.6Very high95.8Very high49 Ų4963.7 Ų63.730%0.30138%0.376SS..SBendtrans-124.2-7175.858.30000113.5A292 K308 H312T280-A292 HydrophobicContact CG2-CB 3.98Å; T280-K308 HydrophobicContact CG2-CB 4.13Å; T280-K308 HydrophobicContact CG2-CD 4.37Å; T280-K308 HydrophobicContact CG2-CG 3.99Å; T280-H312 WeakPolarHBondContact CG2-NE2 3.46Å; T280-H312 PolarHBondContact OG1-NE2 3.45Å; T280-H312 VanDerWaalsContact OG1-NE2 3.09Å
281Q96.7Very high96.1Very high80 Ų8063.4 Ų63.437%0.37437%0.374SS..SBendtrans-141.3128.8-178-169.617917.800109E278 G285 G286E278-Q281 WeakPolarHBondContact CA-O 3.39Å; Q281-G285 VanDerWaalsContact NE2-CA 3.29Å; Q281-G285 PolarHBondContact NE2-O 2.96Å; Q281-G286 WeakPolarHBondContact CA-O 3.49Å
282N97.1Very high96.5Very high19 Ų1962.2 Ų62.210%0.10236%0.364CS..  trans-75170.4176.366.438.7000111.4E278 A284 G285 G286 E288 T290E278-N282 WeakPolarHBondContact OE1-CA 3.02Å; E278-N282 WeakPolarHBondContact OE1-CB 3.48Å; N282-A284 PolarHBondContact O-N 3.37Å; N282-A284 WeakPolarHBondContact OD1-CA 3.38Å; N282-A284 WeakPolarHBondContact OD1-CB 3.46Å; N282-A284 PolarHBondContact OD1-N 2.91Å; N282-A284 VanDerWaalsContact OD1-N 3.07Å; N282-G285 PolarHBondContact O-N 3.15Å; N282-G285 PolarHBondContact OD1-N 3.17Å; N282-G286 PolarHBondContact N-O 3.38Å; N282-G286 PolarHBondContact ND2-O 2.76Å; N282-G286 PolarHBondContact OD1-N 2.85Å; N282-E288 PolarHBondContact ND2-O 2.89Å; N282-E288 PolarHBondContact ND2-OE2 2.9Å; N282-T290 HydrophobicContact CB-CG2 4.21Å
283L96.2Very high96.7Very high99 Ų9962.7 Ų62.752%0.51836%0.364SS..THydrogen-bonded Turntrans-62.3-28.7-178.9-68.9175.6000112.9R275 E278 G285R275-L283 HydrophobicContact CB-CD2 4.41Å; R275-L283 PolarHBondContact NH2-O 3.42Å; R275-L283 VanDerWaalsContact NH2-O 3.12Å; E278-L283 HydrophobicContact CG-CG 4.22Å; E278-L283 PolarHBondContact OE1-N 3.34Å; L283-G285 VanDerWaalsContact C-N 3.29Å; L283-G285 PolarHBondContact O-N 3.24Å
284A96.7Very high96.9Very high102 Ų10265.2 Ų65.284%0.84338%0.379SS*.THydrogen-bonded Turntrans-80-7.1175.900000113.9N282N282-A284 PolarHBondContact O-N 3.37Å; N282-A284 WeakPolarHBondContact OD1-CA 3.38Å; N282-A284 WeakPolarHBondContact OD1-CB 3.46Å; N282-A284 PolarHBondContact OD1-N 2.91Å; N282-A284 VanDerWaalsContact OD1-N 3.07Å
285G94Very high97.1Very high34 Ų3468.8 Ų68.835%0.35140%0.399SS..SBendtrans96.6-3176.700000115.6Q281 N282 L283Q281-G285 VanDerWaalsContact NE2-CA 3.29Å; Q281-G285 PolarHBondContact NE2-O 2.96Å; N282-G285 PolarHBondContact O-N 3.15Å; N282-G285 PolarHBondContact OD1-N 3.17Å; L283-G285 VanDerWaalsContact C-N 3.29Å; L283-G285 PolarHBondContact O-N 3.24Å
286G95.8Very high97.3Very high25 Ų2565.8 Ų65.826%0.25839%0.39SS..  trans-82.7178.4176.200000113.7Q281 N282 E288Q281-G286 WeakPolarHBondContact CA-O 3.49Å; N282-G286 PolarHBondContact N-O 3.38Å; N282-G286 PolarHBondContact ND2-O 2.76Å; N282-G286 PolarHBondContact OD1-N 2.85Å; G286-E288 WeakPolarHBondContact CA-OE2 3.49Å
287A96.7Very high97.4Very high62 Ų6265.2 Ų65.251%0.51239%0.393SS..SBendtrans-101.1-9.5-179.900000113.1T290A287-T290 WeakPolarHBondContact O-CG2 3.36Å; A287-T290 PolarHBondContact O-OG1 3.3Å
288E96.4Very high97.4Very high120 Ų12062 Ų6256%0.56138%0.378SS*.THydrogen-bonded Turntrans-72.1146.3-178.2-50.580.4-177.300111.3N282 G286 T290N282-E288 PolarHBondContact ND2-O 2.89Å; N282-E288 PolarHBondContact ND2-OE2 2.9Å; G286-E288 WeakPolarHBondContact CA-OE2 3.49Å; E288-T290 PolarHBondContact O-N 3.36Å
289N97.6Very high97.5Very high144 Ų14460 Ų6077%0.7737%0.37SS*.THydrogen-bonded Turntrans56.828.2176.2-55.8-30.3000114.5S293N289-S293 PolarHBondContact N-OG 3.02Å
290T98.4Very high97.5Very high5 Ų560.4 Ų60.43%0.03137%0.372CS..SBendtrans-90.1162.217458.20000110.8E278 N282 A287 E288 A292 S293 V294E278-T290 CarbonylContact O-C 3.58Å; E278-T290 WeakPolarHBondContact O-CA 3.41Å; E278-T290 WeakPolarHBondContact O-CB 3.09Å; N282-T290 HydrophobicContact CB-CG2 4.21Å; A287-T290 WeakPolarHBondContact O-CG2 3.36Å; A287-T290 PolarHBondContact O-OG1 3.3Å; E288-T290 PolarHBondContact O-N 3.36Å; T290-A292 PolarHBondContact O-N 3.3Å; T290-S293 PolarHBondContact N-OG 2.84Å; T290-S293 PolarHBondContact O-N 3.43Å; T290-S293 PolarHBondContact O-OG 2.94Å; T290-S293 WeakPolarHBondContact OG1-CB 3.36Å; T290-S293 PolarHBondContact OG1-N 3.33Å; T290-S293 VanDerWaalsContact OG1-N 3.09Å; T290-V294 PolarHBondContact O-N 2.47Å
291L98.5Very high97.6Very high78 Ų7858.9 Ų58.941%0.40836%0.363SS..Hα-helixtrans-54.9-42.6172179.962000111.2E278 I279 S293 V294 L295 L311E278-L291 PolarHBondContact O-N 3.19Å; I279-L291 PolarHBondContact O-N 3.49Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 2.93Å; L291-V294 PolarHBondContact O-N 3.09Å; L291-L295 HydrophobicContact CD1-CD1 3.71Å; L291-L295 HydrophobicContact CD1-CG 4.06Å; L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 HydrophobicContact CG-CD1 3.87Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.83Å; L291-L295 VanDerWaalsContact O-N 3.08Å; L291-L311 HydrophobicContact CD2-CD2 4.16Å
292A98.5Very high97.6Very high6 Ų657.1 Ų57.15%0.0536%0.355CS..Hα-helixtrans-61.8-3817600000112.5I279 T280 T290 V294 L295 D296 K308 L311I279-A292 VanDerWaalsContact O-CB 3.3Å; I279-A292 WeakPolarHBondContact O-CB 3.39Å; I279-A292 PolarHBondContact O-N 2.76Å; T280-A292 HydrophobicContact CG2-CB 3.98Å; T290-A292 PolarHBondContact O-N 3.3Å; A292-V294 PolarHBondContact O-N 2.84Å; A292-L295 PolarHBondContact O-N 3.37Å; A292-D296 WeakPolarHBondContact O-CA 3.3Å; A292-D296 WeakPolarHBondContact O-CB 3.09Å; A292-D296 PolarHBondContact O-N 2.91Å; A292-K308 HydrophobicContact CB-CG 4.45Å; A292-L311 HydrophobicContact CB-CD1 4.23Å
293S98Very high97.7Very high62 Ų6257.3 Ų57.343%0.43436%0.361SS..Hα-helixtrans-63.7-26.2177.973.60000113.7N289 T290 L291N289-S293 PolarHBondContact N-OG 3.02Å; T290-S293 PolarHBondContact N-OG 2.84Å; T290-S293 PolarHBondContact O-N 3.43Å; T290-S293 PolarHBondContact O-OG 2.94Å; T290-S293 WeakPolarHBondContact OG1-CB 3.36Å; T290-S293 PolarHBondContact OG1-N 3.33Å; T290-S293 VanDerWaalsContact OG1-N 3.09Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 2.93Å
294V98.5Very high97.8Very high105 Ų10552.6 Ų52.664%0.63634%0.337SS*.Hα-helixtrans-84-39.9176.5178.70000111.5T290 L291 A292T290-V294 PolarHBondContact O-N 2.47Å; L291-V294 PolarHBondContact O-N 3.09Å; A292-V294 PolarHBondContact O-N 2.84Å
295L98.6Very high97.9Very high85 Ų8547.7 Ų47.745%0.44530%0.297SS..Hα-helixtrans-91.3-26-172.9-61.5-176.4000114.4L291 A292 C297 L307 L311L291-L295 HydrophobicContact CD1-CD1 3.71Å; L291-L295 HydrophobicContact CD1-CG 4.06Å; L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 HydrophobicContact CG-CD1 3.87Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 2.83Å; L291-L295 VanDerWaalsContact O-N 3.08Å; A292-L295 PolarHBondContact O-N 3.37Å; L295-C297 VanDerWaalsContact C-N 3.28Å; L295-C297 PolarHBondContact O-N 3.27Å; L295-L307 HydrophobicContact CB-CD2 4.41Å; L295-L311 HydrophobicContact CD1-CD1 4.47Å; L295-L311 HydrophobicContact CD1-CD2 3.89Å
296D98.5Very high98.1Very high28 Ų2849.7 Ų49.715%0.1530%0.298CS..  trans-81.570.5-173.9-172.417.2000112.7R128 A292 T298 S304 L307 K308R128-D296 IonicContact NH1-OD1 3.23Å; R128-D296 PolarHBondContact NH1-OD1 3.21Å; R128-D296 IonicContact NH1-OD2 3.37Å; R128-D296 PolarHBondContact NH1-OD2 3.27Å; A292-D296 WeakPolarHBondContact O-CA 3.3Å; A292-D296 WeakPolarHBondContact O-CB 3.09Å; A292-D296 PolarHBondContact O-N 2.91Å; D296-T298 WeakPolarHBondContact OD1-CB 3.46Å; D296-T298 VanDerWaalsContact OD1-CG2 3.32Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.32Å; D296-T298 PolarHBondContact OD1-N 2.85Å; D296-T298 PolarHBondContact OD1-OG1 3.49Å; D296-S304 WeakPolarHBondContact OD2-CB 3.4Å; D296-S304 PolarHBondContact OD2-OG 3.16Å; D296-L307 HydrophobicContact CB-CD2 4.01Å; D296-K308 IonicContact OD2-NZ 2.7Å
297C98.4Very high98.3Very high96 Ų9650.3 Ų50.365%0.64930%0.295SS*.  trans-9224.3165.6-64.90000111.8L295L295-C297 VanDerWaalsContact C-N 3.28Å; L295-C297 PolarHBondContact O-N 3.27Å
298T98.6Very high98.4Very high37 Ų3749.5 Ų49.523%0.22728%0.28CS..  trans-68.5143.7-17965.60000111.3R128 D296 S304 L307R128-T298 PolarHBondContact NH1-O 3.12Å; R128-T298 PolarHBondContact NH1-OG1 3.45Å; R128-T298 PolarHBondContact NH2-O 3.03Å; D296-T298 WeakPolarHBondContact OD1-CB 3.46Å; D296-T298 VanDerWaalsContact OD1-CG2 3.32Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.32Å; D296-T298 PolarHBondContact OD1-N 2.85Å; D296-T298 PolarHBondContact OD1-OG1 3.49Å; T298-S304 WeakPolarHBondContact OG1-CA 3.37Å; T298-S304 VanDerWaalsContact OG1-CB 3.27Å; T298-S304 WeakPolarHBondContact OG1-CB 3.39Å; T298-S304 PolarHBondContact OG1-N 3.32Å; T298-S304 VanDerWaalsContact OG1-N 3.12Å; T298-L307 HydrophobicContact CG2-CB 4.47Å; T298-L307 HydrophobicContact CG2-CD2 4.15Å
299V98.5Very high98.4Very high18 Ų1846 Ų4611%0.10926%0.262CS..SBendtrans-93.3-10.7-175.1-59.90000114.1Q339 L342 R343V299-Q339 HydrophobicContact CG1-CB 3.95Å; V299-Q339 HydrophobicContact CG1-CG 4.03Å; V299-Q339 WeakPolarHBondContact CG2-O 3.25Å; V299-L342 HydrophobicContact CG2-CB 3.68Å; V299-R343 HydrophobicContact CB-CB 4.03Å; V299-R343 HydrophobicContact CB-CG 4.47Å; V299-R343 HydrophobicContact CG2-CB 4.28Å
300T98.6Very high98.5Very high14 Ų1444.7 Ų44.79%0.08625%0.246CC..SBendtrans-122.1148.8176.367.70000111.9M302 G303 S304 L342T300-M302 PolarHBondContact O-N 2.82Å; T300-G303 PolarHBondContact O-N 3.47Å; T300-G303 PolarHBondContact OG1-N 3.25Å; T300-S304 PolarHBondContact O-N 2.89Å; T300-S304 VanDerWaalsContact O-N 3.14Å; T300-L342 WeakPolarHBondContact CG2-O 3.29Å
301P98.5Very high98.5Very high17 Ų1746.1 Ų46.111%0.1125%0.253CS..Hα-helixtrans-58.2-44.3175.6-28.838.2000113.9E127 G303 S304 R305 D347E127-P301 HydrophobicContact CB-CB 4.12Å; E127-P301 HydrophobicContact CB-CG 4.22Å; P301-G303 VanDerWaalsContact C-N 3.3Å; P301-G303 PolarHBondContact O-N 3.22Å; P301-S304 WeakPolarHBondContact O-CB 3.46Å; P301-S304 PolarHBondContact O-N 2.98Å; P301-R305 WeakPolarHBondContact O-CG 3.49Å; P301-R305 PolarHBondContact O-N 3.1Å; P301-D347 HydrophobicContact CB-CB 4.08Å; P301-D347 HydrophobicContact CG-CB 4.06Å
302M98.5Very high98.4Very high44 Ų4443.5 Ų43.522%0.21724%0.239CC..Hα-helixtrans-62.8-35.3178.161.5-176.2179.700112.8T300 M306 V345 G346 L348 E349T300-M302 PolarHBondContact O-N 2.82Å; M302-M306 WeakPolarHBondContact O-CB 3.35Å; M302-M306 PolarHBondContact O-N 3.15Å; M302-V345 HydrophobicContact CE-CG1 3.83Å; M302-G346 WeakPolarHBondContact CE-O 3.36Å; M302-L348 HydrophobicContact CE-CB 4.45Å; M302-L348 HydrophobicContact SD-CB 4.45Å; M302-E349 HydrophobicContact CB-CB 4.02Å; M302-E349 HydrophobicContact SD-CB 4.05Å
303G98.6Very high98.3Very high22 Ų2245.7 Ų45.723%0.22725%0.249CC..Hα-helixtrans-64.3-45.3173.300000112.4T300 P301 R305 M306 L307T300-G303 PolarHBondContact O-N 3.47Å; T300-G303 PolarHBondContact OG1-N 3.25Å; P301-G303 VanDerWaalsContact C-N 3.3Å; P301-G303 PolarHBondContact O-N 3.22Å; G303-R305 PolarHBondContact O-N 2.7Å; G303-M306 PolarHBondContact O-N 3.24Å; G303-L307 PolarHBondContact O-N 3.28Å
304S98.7Very high98.3Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-58.3-48.4175.5176.70000111.8R128 D296 T298 T300 P301 M306 L307 K308R128-S304 WeakPolarHBondContact CB-OG 3.38Å; D296-S304 WeakPolarHBondContact OD2-CB 3.4Å; D296-S304 PolarHBondContact OD2-OG 3.16Å; T298-S304 WeakPolarHBondContact OG1-CA 3.37Å; T298-S304 VanDerWaalsContact OG1-CB 3.27Å; T298-S304 WeakPolarHBondContact OG1-CB 3.39Å; T298-S304 PolarHBondContact OG1-N 3.32Å; T298-S304 VanDerWaalsContact OG1-N 3.12Å; T300-S304 PolarHBondContact O-N 2.89Å; T300-S304 VanDerWaalsContact O-N 3.14Å; P301-S304 WeakPolarHBondContact O-CB 3.46Å; P301-S304 PolarHBondContact O-N 2.98Å; S304-M306 PolarHBondContact O-N 3.33Å; S304-L307 PolarHBondContact O-N 3.47Å; S304-K308 WeakPolarHBondContact O-CG 3.47Å; S304-K308 PolarHBondContact O-N 3.45Å; S304-K308 VanDerWaalsContact O-N 3.15Å; S304-K308 WeakPolarHBondContact OG-CE 3.49Å; S304-K308 PolarHBondContact OG-NZ 3.04Å
305R98.5Very high98.3Very high0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-60.8-44.8177.1-64.1-171.8-59.7-92.45111E127 P301 G303 K308 R309 D347 E349E127-R305 PolarHBondContact O-NH1 2.84Å; P301-R305 WeakPolarHBondContact O-CG 3.49Å; P301-R305 PolarHBondContact O-N 3.1Å; G303-R305 PolarHBondContact O-N 2.7Å; R305-K308 PolarHBondContact O-N 3.41Å; R305-R309 WeakPolarHBondContact O-CG 3.26Å; R305-R309 PolarHBondContact O-N 3.3Å; R305-R309 VanDerWaalsContact O-N 3.09Å; R305-D347 IonicContact CZ-OD1 3.19Å; R305-D347 IonicContact CZ-OD2 3.24Å; R305-D347 IonicContact NH1-OD1 2.68Å; R305-D347 IonicContact NH1-OD2 2.79Å; R305-D347 PolarHBondContact NH1-OD2 2.9Å; R305-D347 IonicContact NH2-OD1 3.33Å; R305-D347 PolarHBondContact NH2-OD1 3.02Å; R305-D347 IonicContact NH2-OD2 2.9Å; R305-D347 PolarHBondContact NH2-OD2 2.97Å; R305-E349 IonicContact CZ-OE1 3.57Å; R305-E349 IonicContact NE-OE1 3.19Å; R305-E349 PolarHBondContact NE-OE1 2.81Å; R305-E349 IonicContact NH2-OE1 2.83Å; R305-E349 PolarHBondContact NH2-OE1 2.98Å
306M98.6Very high98.3Very high76 Ų7644.3 Ų44.337%0.37423%0.225SC..Hα-helixtrans-61.8-44.7178.8-172.4178.4-62.300113M302 G303 S304 K308 R309 W310M302-M306 WeakPolarHBondContact O-CB 3.35Å; M302-M306 PolarHBondContact O-N 3.15Å; G303-M306 PolarHBondContact O-N 3.24Å; S304-M306 PolarHBondContact O-N 3.33Å; M306-K308 PolarHBondContact O-N 3.28Å; M306-R309 WeakPolarHBondContact O-CB 3.44Å; M306-R309 PolarHBondContact O-N 3.39Å; M306-W310 HydrophobicContact CG-CD2 4.5Å; M306-W310 HydrophobicContact CG-CZ2 4.05Å; M306-W310 PolarHBondContact O-N 2.85Å; M306-W310 HydrophobicContact SD-CH2 4.38Å; M306-W310 HydrophobicContact SD-CZ2 3.68Å
307L98.7Very high98.3Very high37 Ų3747.2 Ų47.219%0.19424%0.241CC..Hα-helixtrans-58.3-48.7177.1174.861.2000111L295 D296 T298 G303 S304 R309 W310 L311L295-L307 HydrophobicContact CB-CD2 4.41Å; D296-L307 HydrophobicContact CB-CD2 4.01Å; T298-L307 HydrophobicContact CG2-CB 4.47Å; T298-L307 HydrophobicContact CG2-CD2 4.15Å; G303-L307 PolarHBondContact O-N 3.28Å; S304-L307 PolarHBondContact O-N 3.47Å; L307-R309 VanDerWaalsContact C-N 3.29Å; L307-R309 PolarHBondContact O-N 2.79Å; L307-W310 WeakPolarHBondContact O-CB 3.43Å; L307-W310 PolarHBondContact O-N 2.73Å; L307-L311 HydrophobicContact CD1-CD2 4.5Å; L307-L311 HydrophobicContact CD1-CG 4.3Å; L307-L311 HydrophobicContact CG-CD1 4.36Å; L307-L311 HydrophobicContact CG-CG 4.49Å; L307-L311 WeakPolarHBondContact O-CG 2.74Å; L307-L311 PolarHBondContact O-N 2.71Å
308K98.5Very high98.3Very high46 Ų4647.2 Ų47.220%0.224%0.238CC..Hα-helixtrans-59.4-40.1178.8-67.9171.8-171.6174.50111.9R128 T280 A292 D296 S304 R305 M306 W310 L311 H312R128-K308 PolarHBondContact O-NZ 3.14Å; T280-K308 HydrophobicContact CG2-CB 4.13Å; T280-K308 HydrophobicContact CG2-CD 4.37Å; T280-K308 HydrophobicContact CG2-CG 3.99Å; A292-K308 HydrophobicContact CB-CG 4.45Å; D296-K308 IonicContact OD2-NZ 2.7Å; S304-K308 WeakPolarHBondContact O-CG 3.47Å; S304-K308 PolarHBondContact O-N 3.45Å; S304-K308 VanDerWaalsContact O-N 3.15Å; S304-K308 WeakPolarHBondContact OG-CE 3.49Å; S304-K308 PolarHBondContact OG-NZ 3.04Å; R305-K308 PolarHBondContact O-N 3.41Å; M306-K308 PolarHBondContact O-N 3.28Å; K308-W310 VanDerWaalsContact C-N 3.35Å; K308-W310 PolarHBondContact O-N 2.98Å; K308-L311 PolarHBondContact O-N 3.36Å; K308-H312 PolarHBondContact O-CD2 3.09Å; K308-H312 PolarHBondContact O-N 3.1Å
309R98.3Very high98.3Very high47 Ų4753.8 Ų53.818%0.17726%0.259CS..Hα-helixtrans-60.9-41.9173-68.8-172.6-60.7-9810.4112.6D130 R154 R305 M306 L307 H312 M313D130-R309 VanDerWaalsContact CG-NH1 3.31Å; D130-R309 IonicContact OD1-NH1 2.87Å; D130-R309 PolarHBondContact OD1-NH1 3.02Å; D130-R309 WeakPolarHBondContact OD2-CD 3.42Å; D130-R309 WeakPolarHBondContact OD2-CG 3.43Å; D130-R309 IonicContact OD2-CZ 3.74Å; D130-R309 IonicContact OD2-NH1 3.74Å; D130-R309 PolarHBondContact OD2-NH1 3.49Å; R154-R309 VanDerWaalsContact NH2-CD 3.32Å; R305-R309 WeakPolarHBondContact O-CG 3.26Å; R305-R309 PolarHBondContact O-N 3.3Å; R305-R309 VanDerWaalsContact O-N 3.09Å; M306-R309 WeakPolarHBondContact O-CB 3.44Å; M306-R309 PolarHBondContact O-N 3.39Å; L307-R309 VanDerWaalsContact C-N 3.29Å; L307-R309 PolarHBondContact O-N 2.79Å; R309-H312 PolarHBondContact O-N 2.72Å; R309-M313 WeakPolarHBondContact O-CB 3.24Å; R309-M313 PolarHBondContact O-N 3.2Å
310W98.4Very high98.3Very high116 Ų11655 Ų5544%0.43927%0.266SS..Hα-helixtrans-66.2-40.8177.6-68.90.8000112.4M306 L307 K308 H312 M313 R324M306-W310 HydrophobicContact CG-CD2 4.5Å; M306-W310 HydrophobicContact CG-CZ2 4.05Å; M306-W310 PolarHBondContact O-N 2.85Å; M306-W310 HydrophobicContact SD-CH2 4.38Å; M306-W310 HydrophobicContact SD-CZ2 3.68Å; L307-W310 WeakPolarHBondContact O-CB 3.43Å; L307-W310 PolarHBondContact O-N 2.73Å; K308-W310 VanDerWaalsContact C-N 3.35Å; K308-W310 PolarHBondContact O-N 2.98Å; W310-H312 VanDerWaalsContact C-N 3.27Å; W310-H312 PolarHBondContact O-N 3.48Å; W310-M313 CarbonylContact O-C 3.58Å; W310-M313 VanDerWaalsContact O-C 3.28Å; W310-M313 PolarHBondContact O-N 3.07Å; W310-R324 VanDerWaalsContact CE2-NH2 3.25Å
311L98.1Very high98.3Very high34 Ų3457.6 Ų57.618%0.17828%0.279CS..Hα-helixtrans-61.5-38.3175.4-64.4178.2000111.6I279 L291 A292 L295 L307 K308I279-L311 HydrophobicContact CG2-CB 3.71Å; I279-L311 HydrophobicContact CG2-CD1 4.48Å; L291-L311 HydrophobicContact CD2-CD2 4.16Å; A292-L311 HydrophobicContact CB-CD1 4.23Å; L295-L311 HydrophobicContact CD1-CD1 4.47Å; L295-L311 HydrophobicContact CD1-CD2 3.89Å; L307-L311 HydrophobicContact CD1-CD2 4.5Å; L307-L311 HydrophobicContact CD1-CG 4.3Å; L307-L311 HydrophobicContact CG-CD1 4.36Å; L307-L311 HydrophobicContact CG-CG 4.49Å; L307-L311 WeakPolarHBondContact O-CG 2.74Å; L307-L311 PolarHBondContact O-N 2.71Å; K308-L311 PolarHBondContact O-N 3.36Å
312H97.2Very high98.3Very high24 Ų2460.7 Ų60.711%0.11129%0.294CS..Hα-helixtrans-80.2-14.4178.7-86.5-91.4000114.6R172 R274 I279 T280 K308 R309 W310R172-H312 HydrophobicContact CG-CB 4.15Å; R274-H312 PolarHBondContact NH1-ND1 3.43Å; R274-H312 PolarHBondContact NH1-O 3.43Å; R274-H312 PolarHBondContact NH2-O 2.95Å; R274-H312 VanDerWaalsContact NH2-O 3.1Å; I279-H312 WeakPolarHBondContact CG2-NE2 3.39Å; T280-H312 WeakPolarHBondContact CG2-NE2 3.46Å; T280-H312 PolarHBondContact OG1-NE2 3.45Å; T280-H312 VanDerWaalsContact OG1-NE2 3.09Å; K308-H312 PolarHBondContact O-CD2 3.09Å; K308-H312 PolarHBondContact O-N 3.1Å; R309-H312 PolarHBondContact O-N 2.72Å; W310-H312 VanDerWaalsContact C-N 3.27Å; W310-H312 PolarHBondContact O-N 3.48Å
313M96.9Very high98.3Very high52 Ų5261.8 Ų61.826%0.25630%0.299SS..SBendtrans-138.775.5-179.2-168.7168.666.700110.6R309 W310 V315R309-M313 WeakPolarHBondContact O-CB 3.24Å; R309-M313 PolarHBondContact O-N 3.2Å; W310-M313 CarbonylContact O-C 3.58Å; W310-M313 VanDerWaalsContact O-C 3.28Å; W310-M313 PolarHBondContact O-N 3.07Å; M313-V315 PolarHBondContact O-N 3.29Å
314P97.9Very high98.3Very high39 Ų3963.9 Ų63.925%0.25330%0.3SS..  trans-62.2125.6175.7-18.631.6000109.9S266 I267 M269S266-P314 CarbonylContact C-O 3.57Å; S266-P314 WeakPolarHBondContact CA-O 3.32Å; S266-P314 VanDerWaalsContact CB-O 3.31Å; S266-P314 WeakPolarHBondContact CB-O 3.39Å; I267-P314 HydrophobicContact CB-CB 4.11Å; I267-P314 HydrophobicContact CB-CG 4.32Å; I267-P314 HydrophobicContact CD1-CB 4.06Å; I267-P314 HydrophobicContact CG1-CB 4.16Å; I267-P314 PolarHBondContact N-O 3.48Å; M269-P314 HydrophobicContact CE-CG 3.92Å
315V98.3Very high98.3Very high36 Ų3669.9 Ų69.922%0.21833%0.328CS..BIsolated β-bridgetrans-81.8149.8-178.4-61.60000111.4M313 V320 L321M313-V315 PolarHBondContact O-N 3.29Å; V315-V320 HydrophobicContact CG2-CG1 4.06Å; V315-L321 HydrophobicContact CG2-CD2 3.69Å; V315-L321 HydrophobicContact CG2-CG 4.1Å
316R98.3Very high98.3Very high148 Ų14874.8 Ų74.856%0.55835%0.351SS*.  trans-100.5-12.3178.4-69.1-17861.8-172.92.2114.3Q264 D265 S266 I267 T318Q264-R316 VanDerWaalsContact O-CD 3.31Å; Q264-R316 WeakPolarHBondContact O-CD 3.33Å; D265-R316 PolarHBondContact O-N 3.49Å; S266-R316 WeakPolarHBondContact O-CD 3.2Å; I267-R316 HydrophobicContact CG1-CG 4.12Å; R316-T318 PolarHBondContact O-N 3.31Å; R316-T318 VanDerWaalsContact O-N 3.13Å
317D98.2Very high98.3Very high89 Ų8972.3 Ų72.348%0.47634%0.34SS..  trans-66.7110.7177.8-173.4-19.2000110.8R319 V320 L321D317-R319 PolarHBondContact O-N 3.12Å; D317-R319 WeakPolarHBondContact OD1-CB 3.4Å; D317-R319 PolarHBondContact OD1-N 3.22Å; D317-V320 HydrophobicContact CB-CB 4.15Å; D317-V320 HydrophobicContact CB-CG2 3.93Å; D317-V320 PolarHBondContact O-N 3.48Å; D317-L321 WeakPolarHBondContact O-CG 3.33Å; D317-L321 PolarHBondContact O-N 2.83Å; D317-L321 VanDerWaalsContact O-N 3.09Å
318T98.5Very high98.3Very high96 Ų9676.5 Ų76.559%0.58936%0.361SS*.Hα-helixtrans-59.3-35.9-179.3-51.40000112.2R316 L321 L322R316-T318 PolarHBondContact O-N 3.31Å; R316-T318 VanDerWaalsContact O-N 3.13Å; T318-L321 PolarHBondContact O-N 3.07Å; T318-L322 HydrophobicContact CG2-CD1 4.08Å; T318-L322 HydrophobicContact CG2-CG 4.37Å; T318-L322 VanDerWaalsContact O-CG 3.31Å; T318-L322 WeakPolarHBondContact O-CG 3.43Å; T318-L322 PolarHBondContact O-N 3.17Å
319R98.4Very high98.3Very high174 Ų17476.5 Ų76.566%0.65737%0.374SS*.Hα-helixtrans-63.9-48179-179.7-179.1172.2171.21.4110.5D317 L321 L322 E323D317-R319 PolarHBondContact O-N 3.12Å; D317-R319 WeakPolarHBondContact OD1-CB 3.4Å; D317-R319 PolarHBondContact OD1-N 3.22Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.43Å; R319-L322 PolarHBondContact O-N 3.26Å; R319-E323 HydrophobicContact CG-CG 4.44Å; R319-E323 WeakPolarHBondContact CG-OE1 3.27Å; R319-E323 IonicContact CZ-OE1 3.24Å; R319-E323 IonicContact NE-OE1 3.61Å; R319-E323 PolarHBondContact NE-OE1 2.89Å; R319-E323 IonicContact NH2-OE1 3.58Å; R319-E323 PolarHBondContact NH2-OE1 2.96Å; R319-E323 WeakPolarHBondContact O-CG 3.36Å; R319-E323 PolarHBondContact O-N 3.35Å
320V98.4Very high98.3Very high43 Ų4375.7 Ų75.726%0.26138%0.378SS..Hα-helixtrans-61-40.2178.4175.90000111.2V315 D317 R324V315-V320 HydrophobicContact CG2-CG1 4.06Å; D317-V320 HydrophobicContact CB-CB 4.15Å; D317-V320 HydrophobicContact CB-CG2 3.93Å; D317-V320 PolarHBondContact O-N 3.48Å; V320-R324 VanDerWaalsContact O-CG 3.32Å; V320-R324 WeakPolarHBondContact O-CG 3.32Å; V320-R324 PolarHBondContact O-N 3.1Å
321L98.7Very high98.3Very high69 Ų6972 Ų7236%0.36137%0.366SS..Hα-helixtrans-64-45.4177.2-67.4172.8000112V315 D317 T318 R319 R324 Q325V315-L321 HydrophobicContact CG2-CD2 3.69Å; V315-L321 HydrophobicContact CG2-CG 4.1Å; D317-L321 WeakPolarHBondContact O-CG 3.33Å; D317-L321 PolarHBondContact O-N 2.83Å; D317-L321 VanDerWaalsContact O-N 3.09Å; T318-L321 PolarHBondContact O-N 3.07Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.43Å; L321-R324 PolarHBondContact O-N 3.26Å; L321-Q325 WeakPolarHBondContact O-CG 3.35Å; L321-Q325 PolarHBondContact O-N 3.4Å
322L98.7Very high98.3Very high83 Ų8376.9 Ų76.944%0.43539%0.388SS..Hα-helixtrans-64.3-44.1177.8-71.3172.7000111.9T318 R319 R324 Q325 Q326T318-L322 HydrophobicContact CG2-CD1 4.08Å; T318-L322 HydrophobicContact CG2-CG 4.37Å; T318-L322 VanDerWaalsContact O-CG 3.31Å; T318-L322 WeakPolarHBondContact O-CG 3.43Å; T318-L322 PolarHBondContact O-N 3.17Å; R319-L322 PolarHBondContact O-N 3.26Å; L322-R324 VanDerWaalsContact C-N 3.3Å; L322-R324 PolarHBondContact O-N 3.49Å; L322-Q325 PolarHBondContact O-N 2.79Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 VanDerWaalsContact O-CG 3.25Å; L322-Q326 WeakPolarHBondContact O-CG 3.45Å; L322-Q326 PolarHBondContact O-N 2.89Å
323E98.7Very high98.3Very high66 Ų6682.7 Ų82.731%0.30842%0.42SS..Hα-helixtrans-60.3-40.5176.9-72.2176.8-178.200111.4R319 T327 P389R319-E323 HydrophobicContact CG-CG 4.44Å; R319-E323 WeakPolarHBondContact CG-OE1 3.27Å; R319-E323 IonicContact CZ-OE1 3.24Å; R319-E323 IonicContact NE-OE1 3.61Å; R319-E323 PolarHBondContact NE-OE1 2.89Å; R319-E323 IonicContact NH2-OE1 3.58Å; R319-E323 PolarHBondContact NH2-OE1 2.96Å; R319-E323 WeakPolarHBondContact O-CG 3.36Å; R319-E323 PolarHBondContact O-N 3.35Å; E323-T327 WeakPolarHBondContact O-CB 3.37Å; E323-T327 PolarHBondContact O-N 2.99Å; E323-T327 PolarHBondContact O-OG1 3.47Å; E323-P389 HydrophobicContact CB-CB 4.27Å; E323-P389 HydrophobicContact CB-CG 3.86Å; E323-P389 HydrophobicContact CG-CG 3.94Å
324R98.6Very high98.3Very high67 Ų6782.5 Ų82.525%0.25342%0.418SS..Hα-helixtrans-65.1-44.1174.1-74.1177.6-178.1-172.21112.3W310 V320 L321 L322 T327 I328W310-R324 VanDerWaalsContact CE2-NH2 3.25Å; V320-R324 VanDerWaalsContact O-CG 3.32Å; V320-R324 WeakPolarHBondContact O-CG 3.32Å; V320-R324 PolarHBondContact O-N 3.1Å; L321-R324 PolarHBondContact O-N 3.26Å; L322-R324 VanDerWaalsContact C-N 3.3Å; L322-R324 PolarHBondContact O-N 3.49Å; R324-T327 WeakPolarHBondContact O-CB 3.33Å; R324-T327 PolarHBondContact O-N 3.39Å; R324-I328 VanDerWaalsContact O-CG1 3.28Å; R324-I328 WeakPolarHBondContact O-CG1 3.47Å; R324-I328 PolarHBondContact O-N 2.74Å
325Q98.7Very high98.3Very high126 Ų12683.8 Ų83.859%0.58943%0.425SS*.Hα-helixtrans-63-44178-73.8173.7-1.100111.8L321 L322 T327 I328 G329L321-Q325 WeakPolarHBondContact O-CG 3.35Å; L321-Q325 PolarHBondContact O-N 3.4Å; L322-Q325 PolarHBondContact O-N 2.79Å; Q325-T327 VanDerWaalsContact C-N 3.33Å; Q325-T327 PolarHBondContact O-N 2.76Å; Q325-I328 PolarHBondContact O-N 2.96Å; Q325-G329 PolarHBondContact O-N 2.9Å
326Q98.4Very high98.2Very high103 Ų10385.8 Ų85.848%0.48145%0.445SS..Hα-helixtrans-60-43.8174.6-71.2166.69.200111.5L322 G329 A330L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 VanDerWaalsContact O-CG 3.25Å; L322-Q326 WeakPolarHBondContact O-CG 3.45Å; L322-Q326 PolarHBondContact O-N 2.89Å; Q326-G329 PolarHBondContact O-N 3.33Å; Q326-A330 VanDerWaalsContact O-CB 3.29Å; Q326-A330 WeakPolarHBondContact O-CB 3.47Å; Q326-A330 PolarHBondContact O-N 2.86Å
327T98.7Very high98.1Very high23 Ų2384.1 Ų84.114%0.14144%0.444CS..Hα-helixtrans-60.2-46.2176.3-59.30000111.7E323 R324 Q325 A330 L331 P389 V390E323-T327 WeakPolarHBondContact O-CB 3.37Å; E323-T327 PolarHBondContact O-N 2.99Å; E323-T327 PolarHBondContact O-OG1 3.47Å; R324-T327 WeakPolarHBondContact O-CB 3.33Å; R324-T327 PolarHBondContact O-N 3.39Å; Q325-T327 VanDerWaalsContact C-N 3.33Å; Q325-T327 PolarHBondContact O-N 2.76Å; T327-A330 PolarHBondContact O-N 2.94Å; T327-L331 HydrophobicContact CG2-CD1 3.7Å; T327-L331 HydrophobicContact CG2-CG 4.47Å; T327-L331 WeakPolarHBondContact O-CB 3.49Å; T327-L331 WeakPolarHBondContact O-CG 3.29Å; T327-L331 PolarHBondContact O-N 2.86Å; T327-L331 VanDerWaalsContact O-N 3.09Å; T327-P389 WeakPolarHBondContact OG1-CB 3.48Å; T327-V390 HydrophobicContact CG2-CG2 3.93Å
328I98.6Very high98.1Very high125 Ų12580.5 Ų80.564%0.64142%0.424SS*.Hα-helixtrans-61.8-46.7179.5-69.9162.7000110.8R324 Q325 Q332R324-I328 VanDerWaalsContact O-CG1 3.28Å; R324-I328 WeakPolarHBondContact O-CG1 3.47Å; R324-I328 PolarHBondContact O-N 2.74Å; Q325-I328 PolarHBondContact O-N 2.96Å; I328-Q332 PolarHBondContact O-N 3.12Å
329G98.3Very high98.1Very high46 Ų4679.9 Ų79.947%0.47442%0.415SS..Hα-helixtrans-63.7-44.2178.700000112.7Q325 Q326 L331Q325-G329 PolarHBondContact O-N 2.9Å; Q326-G329 PolarHBondContact O-N 3.33Å; G329-L331 VanDerWaalsContact C-N 3.34Å; G329-L331 PolarHBondContact O-N 2.87Å
330A98.3Very high98.1Very high30 Ų3075 Ų7525%0.24841%0.406CS..Hα-helixtrans-69.4-28.2-177.600000113.8Q326 T327 F334 V385Q326-A330 VanDerWaalsContact O-CB 3.29Å; Q326-A330 WeakPolarHBondContact O-CB 3.47Å; Q326-A330 PolarHBondContact O-N 2.86Å; T327-A330 PolarHBondContact O-N 2.94Å; A330-F334 WeakPolarHBondContact O-CD2 3.45Å; A330-V385 HydrophobicContact CB-CG1 3.82Å
331L98.5Very high98.1Very high38 Ų3873.8 Ų73.820%0.19940%0.399CS..THydrogen-bonded Turntrans-93.2-2.1-177.6-69.1176.8000114.2T327 G329 D333 F334 T335 L338 L382 V385 V390T327-L331 HydrophobicContact CG2-CD1 3.7Å; T327-L331 HydrophobicContact CG2-CG 4.47Å; T327-L331 WeakPolarHBondContact O-CB 3.49Å; T327-L331 WeakPolarHBondContact O-CG 3.29Å; T327-L331 PolarHBondContact O-N 2.86Å; T327-L331 VanDerWaalsContact O-N 3.09Å; G329-L331 VanDerWaalsContact C-N 3.34Å; G329-L331 PolarHBondContact O-N 2.87Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 2.85Å; L331-F334 PolarHBondContact O-N 2.9Å; L331-T335 WeakPolarHBondContact O-CG2 3.3Å; L331-T335 PolarHBondContact O-N 3.43Å; L331-L338 HydrophobicContact CD2-CD1 3.84Å; L331-L382 HydrophobicContact CD2-CD2 3.82Å; L331-V385 HydrophobicContact CD2-CG1 4.01Å; L331-V385 HydrophobicContact CD2-CG2 4.03Å; L331-V390 HydrophobicContact CD1-CG2 4.17Å; L331-V390 HydrophobicContact CD2-CG1 4.21Å; L331-V390 HydrophobicContact CD2-CG2 4.21Å; L331-V390 HydrophobicContact CG-CG2 4.02Å
332Q98.1Very high98.1Very high138 Ų13873.9 Ų73.965%0.64540%0.399SS*.G310 helixtrans-57.5-43.4-171.6-168.8169.210.300112.7I328 F334 T335I328-Q332 PolarHBondContact O-N 3.12Å; Q332-F334 VanDerWaalsContact C-N 3.32Å; Q332-F334 PolarHBondContact O-N 2.92Å; Q332-T335 WeakPolarHBondContact O-CG2 3.48Å; Q332-T335 PolarHBondContact O-OG1 2.99Å; Q332-T335 VanDerWaalsContact O-OG1 3.12Å
333D97.3Very high98.1Very high145 Ų14576.4 Ų76.478%0.77540%0.403SS*.G310 helixtrans-77.7-15.9-179.3-63.4-31.8000113.5L331L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 2.85Å
334F97.7Very high98.1Very high48 Ų4877.6 Ų77.621%0.21141%0.408CS..G310 helixtrans-97.6-3.8-176.7-61.2-90.4000113.3A330 L331 Q332 A336 E337 L338 V385A330-F334 WeakPolarHBondContact O-CD2 3.45Å; L331-F334 PolarHBondContact O-N 2.9Å; Q332-F334 VanDerWaalsContact C-N 3.32Å; Q332-F334 PolarHBondContact O-N 2.92Å; F334-A336 VanDerWaalsContact C-N 3.34Å; F334-A336 PolarHBondContact O-N 3.32Å; F334-E337 PolarHBondContact O-N 2.95Å; F334-L338 HydrophobicContact CB-CD1 3.7Å; F334-L338 HydrophobicContact CB-CG 4.27Å; F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CG 3.38Å; F334-L338 PolarHBondContact O-N 3.49Å; F334-V385 HydrophobicContact CD1-CG2 4.17Å; F334-V385 HydrophobicContact CD2-CG2 3.9Å; F334-V385 HydrophobicContact CE1-CG2 4.06Å; F334-V385 HydrophobicContact CE2-CG2 3.8Å; F334-V385 HydrophobicContact CG-CG2 4.09Å; F334-V385 HydrophobicContact CZ-CG2 3.87Å
335T96.7Very high98.1Very high67 Ų6775.1 Ų75.141%0.41140%0.401SS..Hα-helixtrans-58.2-40.9-172.752.90000113.9L331 Q332 E337 Q339L331-T335 WeakPolarHBondContact O-CG2 3.3Å; L331-T335 PolarHBondContact O-N 3.43Å; Q332-T335 WeakPolarHBondContact O-CG2 3.48Å; Q332-T335 PolarHBondContact O-OG1 2.99Å; Q332-T335 VanDerWaalsContact O-OG1 3.12Å; T335-E337 VanDerWaalsContact C-N 3.29Å; T335-E337 PolarHBondContact O-N 3.06Å; T335-Q339 VanDerWaalsContact O-CB 3.32Å; T335-Q339 WeakPolarHBondContact O-CB 3.45Å; T335-Q339 VanDerWaalsContact O-CG 3.3Å; T335-Q339 WeakPolarHBondContact O-CG 3.34Å; T335-Q339 PolarHBondContact O-N 3.31Å; T335-Q339 VanDerWaalsContact O-N 3.1Å
336A96.9Very high98Very high77 Ų7770.2 Ų70.264%0.63638%0.384SS*.Hα-helixtrans-67.7-28.9-177.600000113.1F334 P340F334-A336 VanDerWaalsContact C-N 3.34Å; F334-A336 PolarHBondContact O-N 3.32Å; A336-P340 WeakPolarHBondContact O-CD 3.34Å; A336-P340 WeakPolarHBondContact O-CG 3.49Å
337E96.2Very high98Very high113 Ų11366.4 Ų66.453%0.52837%0.367SS..Hα-helixtrans-87-42.2-179.9-62.7177.4-172.100111.1F334 T335 P340 Q381F334-E337 PolarHBondContact O-N 2.95Å; T335-E337 VanDerWaalsContact C-N 3.29Å; T335-E337 PolarHBondContact O-N 3.06Å; E337-P340 WeakPolarHBondContact O-CD 3.38Å; E337-Q381 VanDerWaalsContact C-OE1 3.29Å; E337-Q381 PolarHBondContact O-OE1 2.92Å
338L98.1Very high98Very high13 Ų1366.7 Ų66.77%0.06837%0.367CS..Hα-helixtrans-71.4-39.5-177.3-72.5167.7000112.9L331 F334 V341 L342 L378 Q381 L382L331-L338 HydrophobicContact CD2-CD1 3.84Å; F334-L338 HydrophobicContact CB-CD1 3.7Å; F334-L338 HydrophobicContact CB-CG 4.27Å; F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CG 3.38Å; F334-L338 PolarHBondContact O-N 3.49Å; L338-V341 PolarHBondContact O-N 3.45Å; L338-L342 HydrophobicContact CB-CD1 4.36Å; L338-L342 WeakPolarHBondContact O-CB 3.42Å; L338-L342 WeakPolarHBondContact O-CG 3.32Å; L338-L342 PolarHBondContact O-N 3.08Å; L338-L378 HydrophobicContact CD2-CD2 3.89Å; L338-Q381 HydrophobicContact CD2-CB 4.01Å; L338-Q381 VanDerWaalsContact CD2-OE1 3.29Å; L338-L382 HydrophobicContact CD1-CD2 3.92Å; L338-L382 HydrophobicContact CD2-CD2 3.78Å; L338-L382 HydrophobicContact CD2-CG 4.03Å
339Q98.3Very high98Very high83 Ų8362.8 Ų62.839%0.38835%0.346SS..Hα-helixtrans-62.2-45.5-173.2-82.4-17121.500114.1V299 T335 V341 R343V299-Q339 HydrophobicContact CG1-CB 3.95Å; V299-Q339 HydrophobicContact CG1-CG 4.03Å; V299-Q339 WeakPolarHBondContact CG2-O 3.25Å; T335-Q339 VanDerWaalsContact O-CB 3.32Å; T335-Q339 WeakPolarHBondContact O-CB 3.45Å; T335-Q339 VanDerWaalsContact O-CG 3.3Å; T335-Q339 WeakPolarHBondContact O-CG 3.34Å; T335-Q339 PolarHBondContact O-N 3.31Å; T335-Q339 VanDerWaalsContact O-N 3.1Å; Q339-V341 VanDerWaalsContact C-N 3.3Å; Q339-V341 PolarHBondContact O-N 2.96Å; Q339-R343 WeakPolarHBondContact O-CB 3.46Å; Q339-R343 PolarHBondContact O-N 3.32Å
340P98.5Very high98Very high72 Ų7261 Ų6147%0.46833%0.325SS..Hα-helixtrans-58.6-39.6174.8-26.735.6000113.4A336 E337 R343A336-P340 WeakPolarHBondContact O-CD 3.34Å; A336-P340 WeakPolarHBondContact O-CG 3.49Å; E337-P340 WeakPolarHBondContact O-CD 3.38Å; P340-R343 WeakPolarHBondContact O-CB 3.48Å; P340-R343 PolarHBondContact O-N 2.92Å
341V98.4Very high98Very high18 Ų1859.8 Ų59.811%0.10931%0.314CS..Hα-helixtrans-72.9-45.8-179.1-174.10000110.8L338 Q339 R343 Q344 Q374 E377 L378L338-V341 PolarHBondContact O-N 3.45Å; Q339-V341 VanDerWaalsContact C-N 3.3Å; Q339-V341 PolarHBondContact O-N 2.96Å; V341-R343 PolarHBondContact O-N 3.41Å; V341-Q344 PolarHBondContact O-N 3.47Å; V341-Q374 HydrophobicContact CG1-CB 3.9Å; V341-E377 HydrophobicContact CG1-CB 4.31Å; V341-E377 HydrophobicContact CG1-CG 4.07Å; V341-E377 HydrophobicContact CG2-CG 3.93Å; V341-L378 HydrophobicContact CB-CD2 3.94Å; V341-L378 HydrophobicContact CB-CG 4.41Å; V341-L378 HydrophobicContact CG1-CD1 4.35Å; V341-L378 HydrophobicContact CG1-CD2 3.71Å; V341-L378 HydrophobicContact CG1-CG 3.62Å
342L98.6Very high98Very high71 Ų7161.7 Ų61.737%0.37233%0.325SS..Hα-helixtrans-58.3-34.2174.5-76.3170.9000112.3V299 T300 L338 Q344 V345 L378V299-L342 HydrophobicContact CG2-CB 3.68Å; T300-L342 WeakPolarHBondContact CG2-O 3.29Å; L338-L342 HydrophobicContact CB-CD1 4.36Å; L338-L342 WeakPolarHBondContact O-CB 3.42Å; L338-L342 WeakPolarHBondContact O-CG 3.32Å; L338-L342 PolarHBondContact O-N 3.08Å; L342-Q344 PolarHBondContact O-N 2.99Å; L342-V345 WeakPolarHBondContact O-CB 3.33Å; L342-V345 PolarHBondContact O-N 3.3Å; L342-V345 VanDerWaalsContact O-N 3.15Å; L342-L378 HydrophobicContact CD2-CD1 4.01Å; L342-L378 HydrophobicContact CD2-CD2 4.11Å; L342-L378 HydrophobicContact CG-CD2 4.03Å
343R98.7Very high98Very high135 Ų13555.2 Ų55.251%0.50930%0.295SS..Hα-helixtrans-57.7-38.9176.2-172.4-179.4-63.8-84.40.1112.1V299 Q339 P340 V341 V345 G346V299-R343 HydrophobicContact CB-CB 4.03Å; V299-R343 HydrophobicContact CB-CG 4.47Å; V299-R343 HydrophobicContact CG2-CB 4.28Å; Q339-R343 WeakPolarHBondContact O-CB 3.46Å; Q339-R343 PolarHBondContact O-N 3.32Å; P340-R343 WeakPolarHBondContact O-CB 3.48Å; P340-R343 PolarHBondContact O-N 2.92Å; V341-R343 PolarHBondContact O-N 3.41Å; R343-V345 VanDerWaalsContact C-N 3.25Å; R343-V345 PolarHBondContact O-N 2.98Å; R343-G346 PolarHBondContact O-N 3.31Å
344Q98.4Very high98Very high92 Ų9248.7 Ų48.743%0.4326%0.259SS..Hα-helixtrans-72.6-17.6-178.6-58.8-50.1-35.900113.1V341 L342 G346 H370 Q374V341-Q344 PolarHBondContact O-N 3.47Å; L342-Q344 PolarHBondContact O-N 2.99Å; Q344-G346 VanDerWaalsContact C-N 3.29Å; Q344-G346 PolarHBondContact O-N 3.1Å; Q344-H370 PolarHBondContact OE1-NE2 3.07Å; Q344-Q374 HydrophobicContact CB-CG 3.74Å
345V98.6Very high98Very high15 Ų1546.7 Ų46.79%0.09125%0.251CS..Hα-helixtrans-66.9-32.5172.31790000111.4M302 L342 R343 L348 A371 Q374 L378M302-V345 HydrophobicContact CE-CG1 3.83Å; L342-V345 WeakPolarHBondContact O-CB 3.33Å; L342-V345 PolarHBondContact O-N 3.3Å; L342-V345 VanDerWaalsContact O-N 3.15Å; R343-V345 VanDerWaalsContact C-N 3.25Å; R343-V345 PolarHBondContact O-N 2.98Å; V345-L348 HydrophobicContact CG1-CB 4.36Å; V345-A371 HydrophobicContact CB-CB 4.44Å; V345-A371 HydrophobicContact CG1-CB 4.08Å; V345-Q374 HydrophobicContact CG2-CB 4.16Å; V345-Q374 HydrophobicContact CG2-CG 4.33Å; V345-L378 HydrophobicContact CG2-CD1 4.13Å
346G98Very high98Very high23 Ų2343.9 Ų43.924%0.23723%0.234CC..  trans64.6-148.5176.600000114.4M302 R343 Q344 L348M302-G346 WeakPolarHBondContact CE-O 3.36Å; R343-G346 PolarHBondContact O-N 3.31Å; Q344-G346 VanDerWaalsContact C-N 3.29Å; Q344-G346 PolarHBondContact O-N 3.1Å; G346-L348 PolarHBondContact O-N 3.37Å
347D98.4Very high98Very high22 Ų2240.6 Ų40.612%0.11821%0.206CC..SBendtrans-96.564179.8-162.9-8.8000111.9P301 R305 E349 R350 I351P301-D347 HydrophobicContact CB-CB 4.08Å; P301-D347 HydrophobicContact CG-CB 4.06Å; R305-D347 IonicContact CZ-OD1 3.19Å; R305-D347 IonicContact CZ-OD2 3.24Å; R305-D347 IonicContact NH1-OD1 2.68Å; R305-D347 IonicContact NH1-OD2 2.79Å; R305-D347 PolarHBondContact NH1-OD2 2.9Å; R305-D347 IonicContact NH2-OD1 3.33Å; R305-D347 PolarHBondContact NH2-OD1 3.02Å; R305-D347 IonicContact NH2-OD2 2.9Å; R305-D347 PolarHBondContact NH2-OD2 2.97Å; D347-E349 PolarHBondContact O-N 3.43Å; D347-R350 PolarHBondContact O-N 2.71Å; D347-R350 PolarHBondContact OD1-N 3.02Å; D347-R350 WeakPolarHBondContact OD2-CD 3.42Å; D347-I351 WeakPolarHBondContact O-CG1 3.33Å; D347-I351 PolarHBondContact O-N 3.23Å
348L98.3Very high98Very high30 Ų3039.9 Ų39.916%0.15720%0.198CC..Hα-helixtrans-60.1-32.6179.2-175.160.8000112.1M302 V345 G346 R350 I351 L352 M368 A371M302-L348 HydrophobicContact CE-CB 4.45Å; M302-L348 HydrophobicContact SD-CB 4.45Å; V345-L348 HydrophobicContact CG1-CB 4.36Å; G346-L348 PolarHBondContact O-N 3.37Å; L348-R350 PolarHBondContact O-N 2.8Å; L348-I351 PolarHBondContact O-N 3.2Å; L348-L352 HydrophobicContact CD1-CD1 4.46Å; L348-L352 HydrophobicContact CD1-CG 4.23Å; L348-L352 HydrophobicContact CG-CD1 4.03Å; L348-L352 HydrophobicContact CG-CG 4.28Å; L348-L352 WeakPolarHBondContact O-CB 3.32Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.16Å; L348-M368 HydrophobicContact CD1-CB 4.36Å; L348-M368 HydrophobicContact CD1-CG 4Å; L348-A371 HydrophobicContact CD1-CB 4.5Å
349E98.4Very high97.9Very high43 Ų4341.5 Ų41.520%0.20121%0.209CC..Hα-helixtrans-55.3-52177.3-176.1-179.37600111.7S152 M302 R305 D347 L352 A353S152-E349 VanDerWaalsContact CB-CD 3.47Å; S152-E349 VanDerWaalsContact CB-CG 3.48Å; M302-E349 HydrophobicContact CB-CB 4.02Å; M302-E349 HydrophobicContact SD-CB 4.05Å; R305-E349 IonicContact CZ-OE1 3.57Å; R305-E349 IonicContact NE-OE1 3.19Å; R305-E349 PolarHBondContact NE-OE1 2.81Å; R305-E349 IonicContact NH2-OE1 2.83Å; R305-E349 PolarHBondContact NH2-OE1 2.98Å; D347-E349 PolarHBondContact O-N 3.43Å; E349-L352 PolarHBondContact O-N 2.9Å; E349-A353 PolarHBondContact O-N 3.04Å
350R98.3Very high97.9Very high8 Ų837.8 Ų37.83%0.0319%0.193CC..Hα-helixtrans-73.7-31.4180-70.4-168.6169.2158.1-1.6113.6Q126 Q129 S151 D347 L348 L352 A353 R354Q126-R350 PolarHBondContact O-NH1 2.92Å; Q126-R350 PolarHBondContact O-NH2 3.1Å; Q129-R350 PolarHBondContact O-NH2 3.35Å; S151-R350 WeakPolarHBondContact O-CA 3.34Å; S151-R350 PolarHBondContact OG-NE 3.44Å; D347-R350 PolarHBondContact O-N 2.71Å; D347-R350 PolarHBondContact OD1-N 3.02Å; D347-R350 WeakPolarHBondContact OD2-CD 3.42Å; L348-R350 PolarHBondContact O-N 2.8Å; R350-L352 VanDerWaalsContact C-N 3.32Å; R350-A353 PolarHBondContact O-N 2.93Å; R350-R354 PolarHBondContact O-N 3.18Å; R350-R354 VanDerWaalsContact O-N 3.08Å; R350-R354 PolarHBondContact O-NH1 2.98Å
351I98.3Very high97.8Very high4 Ų437.3 Ų37.32%0.02118%0.181CC..Hα-helixtrans-61-44.8172.9-72.1168.5000110D347 L348 A353 R354 L355 D364 R367 M368D347-I351 WeakPolarHBondContact O-CG1 3.33Å; D347-I351 PolarHBondContact O-N 3.23Å; L348-I351 PolarHBondContact O-N 3.2Å; I351-A353 VanDerWaalsContact C-N 3.32Å; I351-A353 PolarHBondContact O-N 3Å; I351-R354 PolarHBondContact O-N 3.48Å; I351-L355 PolarHBondContact O-N 3.21Å; I351-D364 HydrophobicContact CG1-CB 4.25Å; I351-D364 HydrophobicContact CG2-CB 4.07Å; I351-R367 HydrophobicContact CD1-CB 3.72Å; I351-M368 HydrophobicContact CG2-CB 4.17Å; I351-M368 HydrophobicContact CG2-CE 3.45Å; I351-M368 VanDerWaalsContact CG2-CE 3.45Å
352L98.1Very high97.8Very high79 Ų7936.6 Ų36.641%0.41418%0.177SC..Hα-helixtrans-65.3-33.5178.2-71.7171.1000112.7L348 E349 R350 L355 A356 M368L348-L352 HydrophobicContact CD1-CD1 4.46Å; L348-L352 HydrophobicContact CD1-CG 4.23Å; L348-L352 HydrophobicContact CG-CD1 4.03Å; L348-L352 HydrophobicContact CG-CG 4.28Å; L348-L352 WeakPolarHBondContact O-CB 3.32Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.16Å; E349-L352 PolarHBondContact O-N 2.9Å; R350-L352 VanDerWaalsContact C-N 3.32Å; L352-L355 HydrophobicContact CD2-CD2 4.14Å; L352-L355 WeakPolarHBondContact O-CB 3.31Å; L352-L355 PolarHBondContact O-N 3.22Å; L352-A356 WeakPolarHBondContact O-CB 3.36Å; L352-A356 PolarHBondContact O-N 3.48Å; L352-M368 HydrophobicContact CD2-CE 3.74Å; L352-M368 HydrophobicContact CG-CE 4.47Å
353A97.7Very high97.8Very high2 Ų239.6 Ų39.62%0.01718%0.183CC..Hα-helixtrans-67-39.6172.200000112.4S151 E349 R350 I351 L355 A356 L357S151-A353 WeakPolarHBondContact O-CB 3.02Å; E349-A353 PolarHBondContact O-N 3.04Å; R350-A353 PolarHBondContact O-N 2.93Å; I351-A353 VanDerWaalsContact C-N 3.32Å; I351-A353 PolarHBondContact O-N 3Å; A353-L355 VanDerWaalsContact C-N 3.34Å; A353-A356 PolarHBondContact O-N 2.99Å; A353-L357 WeakPolarHBondContact O-CB 3.28Å; A353-L357 VanDerWaalsContact O-CG 3.29Å; A353-L357 WeakPolarHBondContact O-CG 3.36Å; A353-L357 PolarHBondContact O-N 3.28Å
354R97.8Very high97.8Very high7 Ų733.3 Ų33.33%0.02616%0.16CC..Hα-helixtrans-66.3-36.3172.8-72.2-168.6-67-77.40.6112.3S120 R350 I351 L357 R358 T359 A360 D364S120-R354 PolarHBondContact O-NH1 3.23Å; R350-R354 PolarHBondContact O-N 3.18Å; R350-R354 VanDerWaalsContact O-N 3.08Å; R350-R354 PolarHBondContact O-NH1 2.98Å; I351-R354 PolarHBondContact O-N 3.48Å; R354-L357 CarbonylContact O-C 3.49Å; R354-L357 PolarHBondContact O-N 3.05Å; R354-R358 PolarHBondContact O-N 3.44Å; R354-R358 VanDerWaalsContact O-N 3.09Å; R354-T359 PolarHBondContact O-N 2.83Å; R354-T359 PolarHBondContact O-OG1 3.28Å; R354-A360 HydrophobicContact CB-CB 4.1Å; R354-A360 PolarHBondContact O-N 3.1Å; R354-A360 VanDerWaalsContact O-N 3.16Å; R354-D364 IonicContact CZ-OD1 2.76Å; R354-D364 IonicContact CZ-OD2 3.8Å; R354-D364 IonicContact NE-OD1 3.83Å; R354-D364 PolarHBondContact NE-OD1 2.96Å; R354-D364 IonicContact NE-OD2 3.55Å; R354-D364 PolarHBondContact NE-OD2 3.49Å; R354-D364 IonicContact NH2-OD1 3.48Å; R354-D364 PolarHBondContact NH2-OD1 3.47Å; R354-D364 IonicContact NH2-OD2 3.6Å
355L97.9Very high97.8Very high7 Ų729 Ų294%0.03714%0.14CC..Hα-helixtrans-59.9-49.3171.3176.767.4000110.6I351 L352 A353 L357 R358 L365 M368 F532 L535 L536I351-L355 PolarHBondContact O-N 3.21Å; L352-L355 HydrophobicContact CD2-CD2 4.14Å; L352-L355 WeakPolarHBondContact O-CB 3.31Å; L352-L355 PolarHBondContact O-N 3.22Å; A353-L355 VanDerWaalsContact C-N 3.34Å; L355-L357 PolarHBondContact O-N 3.4Å; L355-R358 PolarHBondContact O-N 2.65Å; L355-L365 HydrophobicContact CD1-CD2 4.47Å; L355-M368 HydrophobicContact CB-CE 4.47Å; L355-M368 HydrophobicContact CD2-CE 3.95Å; L355-F532 HydrophobicContact CD1-CD1 3.49Å; L355-F532 VanDerWaalsContact CD1-CD1 3.49Å; L355-F532 HydrophobicContact CD1-CE1 4.07Å; L355-F532 HydrophobicContact CD1-CG 4.35Å; L355-L535 HydrophobicContact CD1-CB 3.99Å; L355-L535 HydrophobicContact CD1-CD1 3.97Å; L355-L535 HydrophobicContact CD2-CB 3.84Å; L355-L536 HydrophobicContact CD2-CD2 4.45Å; L355-L536 HydrophobicContact CG-CD2 4.02Å; L355-L536 HydrophobicContact CG-CG 4.42Å
356A96.9Very high97.8Very high8 Ų829 Ų297%0.06614%0.141CC..Hα-helixtrans-58.5-33.7177.600000113.5P253 H254 L352 A353P253-A356 WeakPolarHBondContact CD-O 3.28Å; P253-A356 HydrophobicContact CG-CB 4.01Å; H254-A356 HydrophobicContact CB-CB 3.67Å; H254-A356 WeakPolarHBondContact ND1-CB 3.32Å; L352-A356 WeakPolarHBondContact O-CB 3.36Å; L352-A356 PolarHBondContact O-N 3.48Å; A353-A356 PolarHBondContact O-N 2.99Å
357L96.1Very high97.8Very high7 Ų732.2 Ų32.24%0.03715%0.146CC..THydrogen-bonded Turntrans-87.9-0.3177.5-66172000113.7S120 Q248 L252 A353 R354 L355 T359S120-L357 WeakPolarHBondContact OG-CD1 3.49Å; Q248-L357 HydrophobicContact CB-CD2 4.39Å; Q248-L357 HydrophobicContact CG-CD2 4.2Å; L252-L357 HydrophobicContact CD2-CD2 3.41Å; L252-L357 VanDerWaalsContact CD2-CD2 3.41Å; A353-L357 WeakPolarHBondContact O-CB 3.28Å; A353-L357 VanDerWaalsContact O-CG 3.29Å; A353-L357 WeakPolarHBondContact O-CG 3.36Å; A353-L357 PolarHBondContact O-N 3.28Å; R354-L357 CarbonylContact O-C 3.49Å; R354-L357 PolarHBondContact O-N 3.05Å; L355-L357 PolarHBondContact O-N 3.4Å; L357-T359 HydrophobicContact CB-CG2 4.36Å; L357-T359 PolarHBondContact O-N 2.68Å
358R97.1Very high97.8Very high99 Ų9931.2 Ų31.237%0.37414%0.141SC..THydrogen-bonded Turntrans5238.8-171.2-61-171.2176-117.1-4.4113.8R354 L355 E529 F532 D533 L536R354-R358 PolarHBondContact O-N 3.44Å; R354-R358 VanDerWaalsContact O-N 3.09Å; L355-R358 PolarHBondContact O-N 2.65Å; R358-E529 IonicContact NH1-OE2 2.8Å; R358-F532 HydrophobicContact CB-CD2 3.83Å; R358-F532 HydrophobicContact CB-CE2 3.96Å; R358-F532 HydrophobicContact CG-CB 4.35Å; R358-F532 HydrophobicContact CG-CD2 3.83Å; R358-F532 HydrophobicContact CG-CE2 4.46Å; R358-F532 HydrophobicContact CG-CG 4.31Å; R358-D533 IonicContact CZ-OD1 2.94Å; R358-D533 VanDerWaalsContact CZ-OD1 3.24Å; R358-D533 IonicContact NH1-OD1 2.79Å; R358-D533 PolarHBondContact NH1-OD1 2.97Å; R358-D533 IonicContact NH2-OD1 2.74Å; R358-D533 PolarHBondContact NH2-OD1 2.94Å; R358-L536 HydrophobicContact CG-CD1 4.4Å
359T96.3Very high97.8Very high46 Ų4630.6 Ų30.628%0.28214%0.136SC..  trans-119.12.517851.80000112.6R354 L357 R361R354-T359 PolarHBondContact O-N 2.83Å; R354-T359 PolarHBondContact O-OG1 3.28Å; L357-T359 HydrophobicContact CB-CG2 4.36Å; L357-T359 PolarHBondContact O-N 2.68Å; T359-R361 PolarHBondContact O-N 3.3Å
360A97.6Very high97.8Very high6 Ų631.9 Ų31.95%0.0514%0.142CC..  trans-58.6133.3175.500000110R354 D364 L365 Y528 F532R354-A360 HydrophobicContact CB-CB 4.1Å; R354-A360 PolarHBondContact O-N 3.1Å; R354-A360 VanDerWaalsContact O-N 3.16Å; A360-D364 HydrophobicContact CB-CB 4.11Å; A360-L365 HydrophobicContact CB-CD2 4.33Å; A360-Y528 PolarHBondContact O-OH 3.34Å; A360-F532 HydrophobicContact CB-CE1 3.98Å; A360-F532 HydrophobicContact CB-CZ 4.29Å
361R97Very high97.8Very high62 Ų6231.6 Ų31.623%0.23414%0.141CC..  trans-90163.8177.3-66.2-175.3-172.4-179.49.2110.5E77 D121 T359 R363 D364 L365 L418 Y528E77-R361 VanDerWaalsContact CD-NH2 3.27Å; E77-R361 IonicContact OE1-CZ 2.64Å; E77-R361 IonicContact OE1-NH1 3.98Å; E77-R361 PolarHBondContact OE1-NH1 2.81Å; E77-R361 IonicContact OE1-NH2 2.81Å; E77-R361 PolarHBondContact OE1-NH2 2.76Å; E77-R361 IonicContact OE2-CZ 3.74Å; E77-R361 IonicContact OE2-NH1 3.23Å; E77-R361 PolarHBondContact OE2-NH1 3.25Å; E77-R361 IonicContact OE2-NH2 3.95Å; E77-R361 PolarHBondContact OE2-NH2 3.48Å; D121-R361 IonicContact OD1-NH2 3.3Å; T359-R361 PolarHBondContact O-N 3.3Å; R361-R363 PolarHBondContact O-N 2.94Å; R361-R363 VanDerWaalsContact O-N 3.12Å; R361-D364 PolarHBondContact N-OD2 3.31Å; R361-D364 WeakPolarHBondContact O-CA 3.44Å; R361-D364 VanDerWaalsContact O-CB 3.23Å; R361-D364 WeakPolarHBondContact O-CB 3.44Å; R361-D364 PolarHBondContact O-N 2.73Å; R361-L365 PolarHBondContact O-N 3.22Å; R361-L418 HydrophobicContact CG-CD2 4.44Å; R361-Y528 PolarHBondContact O-OH 2.85Å
362P98.2Very high97.8Very high2 Ų231.8 Ų31.81%0.01314%0.142CC..Hα-helixtrans-53.5-38.1179.5-3036.1000114.1D364 L365 A366 P415 P416 V419 V424 Y528P362-D364 VanDerWaalsContact C-N 3.3Å; P362-D364 PolarHBondContact O-N 2.85Å; P362-L365 PolarHBondContact O-N 3.14Å; P362-A366 PolarHBondContact O-N 3.12Å; P362-P415 HydrophobicContact CB-CB 3.68Å; P362-P415 HydrophobicContact CB-CG 3.95Å; P362-P416 WeakPolarHBondContact CB-O 3.32Å; P362-V419 HydrophobicContact CG-CB 4.14Å; P362-V424 HydrophobicContact CB-CB 4.49Å; P362-V424 HydrophobicContact CB-CG1 3.77Å; P362-V424 HydrophobicContact CB-CG2 3.88Å; P362-V424 HydrophobicContact CG-CB 4.42Å; P362-V424 HydrophobicContact CG-CG1 3.97Å; P362-V424 HydrophobicContact CG-CG2 3.52Å; P362-Y528 HydrophobicContact CB-CE2 4.41Å; P362-Y528 HydrophobicContact CG-CE2 4.1Å; P362-Y528 VanDerWaalsContact N-OH 3.12Å
363R97.8Very high97.9Very high134 Ų13431.3 Ų31.351%0.50614%0.138SC..Hα-helixtrans-69.7-22.5175.2-68.1-176.1176.6-176-2.5114.1R361 R367 P415R361-R363 PolarHBondContact O-N 2.94Å; R361-R363 VanDerWaalsContact O-N 3.12Å; R363-R367 WeakPolarHBondContact O-CB 3.48Å; R363-R367 WeakPolarHBondContact O-CG 3.38Å; R363-R367 PolarHBondContact O-N 3.38Å; R363-R367 PolarHBondContact O-NE 3.3Å; R363-P415 HydrophobicContact CG-CG 4.37Å; R363-P415 PolarHBondContact NE-O 2.8Å
364D98.2Very high97.9Very high4 Ų432.7 Ų32.72%0.02114%0.144CC..Hα-helixtrans-68.1-47170.6-68.9-40.4000110.6I351 R354 A360 R361 P362 A366 R367 M368I351-D364 HydrophobicContact CG1-CB 4.25Å; I351-D364 HydrophobicContact CG2-CB 4.07Å; R354-D364 IonicContact CZ-OD1 2.76Å; R354-D364 IonicContact CZ-OD2 3.8Å; R354-D364 IonicContact NE-OD1 3.83Å; R354-D364 PolarHBondContact NE-OD1 2.96Å; R354-D364 IonicContact NE-OD2 3.55Å; R354-D364 PolarHBondContact NE-OD2 3.49Å; R354-D364 IonicContact NH2-OD1 3.48Å; R354-D364 PolarHBondContact NH2-OD1 3.47Å; R354-D364 IonicContact NH2-OD2 3.6Å; A360-D364 HydrophobicContact CB-CB 4.11Å; R361-D364 PolarHBondContact N-OD2 3.31Å; R361-D364 WeakPolarHBondContact O-CA 3.44Å; R361-D364 VanDerWaalsContact O-CB 3.23Å; R361-D364 WeakPolarHBondContact O-CB 3.44Å; R361-D364 PolarHBondContact O-N 2.73Å; P362-D364 VanDerWaalsContact C-N 3.3Å; P362-D364 PolarHBondContact O-N 2.85Å; D364-A366 VanDerWaalsContact C-N 3.34Å; D364-A366 PolarHBondContact O-N 3.39Å; D364-R367 PolarHBondContact O-N 2.74Å; D364-R367 IonicContact OD1-CZ 2.94Å; D364-R367 IonicContact OD1-NH2 2.85Å; D364-R367 PolarHBondContact OD1-NH2 2.91Å; D364-M368 WeakPolarHBondContact O-CB 3.48Å; D364-M368 PolarHBondContact O-N 3.26Å
365L98.4Very high97.9Very high0 Ų033 Ų330%015%0.146CC..Hα-helixtrans-66.7-36.2177.7-59.5-172.3000111.9L355 A360 R361 P362 M368 R369 L407 I411 Y528 L531 F532 L535L355-L365 HydrophobicContact CD1-CD2 4.47Å; A360-L365 HydrophobicContact CB-CD2 4.33Å; R361-L365 PolarHBondContact O-N 3.22Å; P362-L365 PolarHBondContact O-N 3.14Å; L365-M368 HydrophobicContact CD2-CE 4.44Å; L365-M368 PolarHBondContact O-N 3.31Å; L365-R369 WeakPolarHBondContact O-CB 3.31Å; L365-R369 PolarHBondContact O-N 3.25Å; L365-L407 HydrophobicContact CB-CD2 4.25Å; L365-I411 HydrophobicContact CB-CD1 3.37Å; L365-I411 HydrophobicContact CD1-CD1 3.68Å; L365-I411 HydrophobicContact CG-CD1 4.17Å; L365-Y528 HydrophobicContact CD1-CE2 3.65Å; L365-L531 HydrophobicContact CD1-CD1 4.2Å; L365-F532 HydrophobicContact CD1-CE1 4.34Å; L365-L535 HydrophobicContact CD2-CD1 3.92Å
366A98.5Very high98Very high15 Ų1534.8 Ų34.812%0.12416%0.158CC..Hα-helixtrans-63.3-40.2172.300000112.5P362 D364 R369 H370 P415P362-A366 PolarHBondContact O-N 3.12Å; D364-A366 VanDerWaalsContact C-N 3.34Å; D364-A366 PolarHBondContact O-N 3.39Å; A366-R369 WeakPolarHBondContact O-CB 3.33Å; A366-H370 WeakPolarHBondContact O-CB 3.39Å; A366-H370 PolarHBondContact O-N 3.27Å; A366-P415 HydrophobicContact CB-CG 3.84Å
367R98.2Very high98Very high91 Ų9139 Ų3934%0.34318%0.177SC..Hα-helixtrans-69.5-36.6173.8-76-175.7-65.9-175.9-3.2112.5E122 I351 R363 D364 H370 A371E122-R367 IonicContact OE1-CZ 2.62Å; E122-R367 IonicContact OE1-NH1 2.97Å; E122-R367 PolarHBondContact OE1-NH1 2.87Å; E122-R367 IonicContact OE1-NH2 2.73Å; E122-R367 PolarHBondContact OE1-NH2 2.56Å; E122-R367 IonicContact OE2-CZ 2.73Å; E122-R367 IonicContact OE2-NH1 3.32Å; E122-R367 PolarHBondContact OE2-NH1 2.74Å; E122-R367 IonicContact OE2-NH2 3.41Å; E122-R367 PolarHBondContact OE2-NH2 3.23Å; I351-R367 HydrophobicContact CD1-CB 3.72Å; R363-R367 WeakPolarHBondContact O-CB 3.48Å; R363-R367 WeakPolarHBondContact O-CG 3.38Å; R363-R367 PolarHBondContact O-N 3.38Å; R363-R367 PolarHBondContact O-NE 3.3Å; D364-R367 PolarHBondContact O-N 2.74Å; D364-R367 IonicContact OD1-CZ 2.94Å; D364-R367 IonicContact OD1-NH2 2.85Å; D364-R367 PolarHBondContact OD1-NH2 2.91Å; R367-H370 PolarHBondContact O-N 3.46Å; R367-A371 WeakPolarHBondContact O-CB 3.36Å; R367-A371 PolarHBondContact O-N 3.03Å
368M98.5Very high98.1Very high2 Ų239 Ų391%0.0118%0.176CC..Hα-helixtrans-61.1-48172.6-179.2-177.5-63.900111.1L348 I351 L352 L355 D364 L365 H370 A371 F372 L407L348-M368 HydrophobicContact CD1-CB 4.36Å; L348-M368 HydrophobicContact CD1-CG 4Å; I351-M368 HydrophobicContact CG2-CB 4.17Å; I351-M368 HydrophobicContact CG2-CE 3.45Å; I351-M368 VanDerWaalsContact CG2-CE 3.45Å; L352-M368 HydrophobicContact CD2-CE 3.74Å; L352-M368 HydrophobicContact CG-CE 4.47Å; L355-M368 HydrophobicContact CB-CE 4.47Å; L355-M368 HydrophobicContact CD2-CE 3.95Å; D364-M368 WeakPolarHBondContact O-CB 3.48Å; D364-M368 PolarHBondContact O-N 3.26Å; L365-M368 HydrophobicContact CD2-CE 4.44Å; L365-M368 PolarHBondContact O-N 3.31Å; M368-H370 VanDerWaalsContact C-N 3.3Å; M368-H370 PolarHBondContact O-N 2.88Å; M368-A371 WeakPolarHBondContact O-CB 3.42Å; M368-A371 PolarHBondContact O-N 3.39Å; M368-A371 VanDerWaalsContact O-N 3.16Å; M368-F372 HydrophobicContact CG-CD2 4.29Å; M368-F372 HydrophobicContact CG-CE1 4.2Å; M368-F372 HydrophobicContact CG-CE2 3.64Å; M368-F372 HydrophobicContact CG-CZ 3.59Å; M368-F372 WeakPolarHBondContact O-CG 3.48Å; M368-F372 PolarHBondContact O-N 2.93Å; M368-F372 HydrophobicContact SD-CE2 4Å; M368-F372 HydrophobicContact SD-CZ 3.93Å; M368-L407 HydrophobicContact CB-CD1 4.44Å; M368-L407 HydrophobicContact CG-CD1 4.22Å; M368-L407 HydrophobicContact SD-CD1 4.21Å
369R98.6Very high98.2Very high16 Ų1636.2 Ų36.26%0.0617%0.166CC..Hα-helixtrans-54.3-48.1171.9178.7-176.966.9-163.71111.1L365 A366 A371 F372 Q373 L407 E408 I411 I412 D413L365-R369 WeakPolarHBondContact O-CB 3.31Å; L365-R369 PolarHBondContact O-N 3.25Å; A366-R369 WeakPolarHBondContact O-CB 3.33Å; R369-A371 VanDerWaalsContact C-N 3.3Å; R369-A371 PolarHBondContact O-N 3.4Å; R369-F372 PolarHBondContact O-N 2.96Å; R369-F372 VanDerWaalsContact O-N 3.15Å; R369-Q373 WeakPolarHBondContact O-CG 3.39Å; R369-Q373 PolarHBondContact O-N 3.01Å; R369-L407 HydrophobicContact CB-CB 3.82Å; R369-L407 HydrophobicContact CB-CD1 4Å; R369-L407 HydrophobicContact CG-CB 4Å; R369-L407 PolarHBondContact NH1-O 3.11Å; R369-E408 HydrophobicContact CG-CG 3.96Å; R369-I411 PolarHBondContact NH1-O 2.98Å; R369-I412 PolarHBondContact NH1-O 2.97Å; R369-I412 PolarHBondContact NH2-O 3.38Å; R369-I412 VanDerWaalsContact NH2-O 3.14Å; R369-D413 PolarHBondContact NH2-O 3.36Å; R369-D413 VanDerWaalsContact NH2-O 3.14Å
370H98.5Very high98.3Very high71 Ų7136.5 Ų36.533%0.32917%0.173SC..Hα-helixtrans-61.6-38.3179.3-167.156.9000112.5Q344 A366 R367 M368 Q373 Q374Q344-H370 PolarHBondContact OE1-NE2 3.07Å; A366-H370 WeakPolarHBondContact O-CB 3.39Å; A366-H370 PolarHBondContact O-N 3.27Å; R367-H370 PolarHBondContact O-N 3.46Å; M368-H370 VanDerWaalsContact C-N 3.3Å; M368-H370 PolarHBondContact O-N 2.88Å; H370-Q373 PolarHBondContact ND1-OE1 3.44Å; H370-Q373 WeakPolarHBondContact O-CB 3.44Å; H370-Q373 PolarHBondContact O-N 3.3Å; H370-Q374 PolarHBondContact CE1-NE2 2.87Å; H370-Q374 WeakPolarHBondContact O-CG 3.1Å; H370-Q374 PolarHBondContact O-NE2 3.37Å
371A98.6Very high98.2Very high1 Ų137.3 Ų37.31%0.00818%0.176CC..Hα-helixtrans-62.9-43.6173.400000112V345 L348 R367 M368 R369 Q373 Q374V345-A371 HydrophobicContact CB-CB 4.44Å; V345-A371 HydrophobicContact CG1-CB 4.08Å; L348-A371 HydrophobicContact CD1-CB 4.5Å; R367-A371 WeakPolarHBondContact O-CB 3.36Å; R367-A371 PolarHBondContact O-N 3.03Å; M368-A371 WeakPolarHBondContact O-CB 3.42Å; M368-A371 PolarHBondContact O-N 3.39Å; M368-A371 VanDerWaalsContact O-N 3.16Å; R369-A371 VanDerWaalsContact C-N 3.3Å; R369-A371 PolarHBondContact O-N 3.4Å; A371-Q373 VanDerWaalsContact C-N 3.28Å; A371-Q373 PolarHBondContact O-N 3.21Å; A371-Q374 WeakPolarHBondContact O-CB 3.21Å; A371-Q374 PolarHBondContact O-N 2.98Å; A371-Q374 VanDerWaalsContact O-N 3.08Å
372F98.6Very high98.3Very high9 Ų935.3 Ų35.34%0.03917%0.169CC..Hα-helixtrans-62.5-33.9176.2-63.5-23.3000112.9M368 R369 Q374 L375 P376 F400 L403 R404 L407M368-F372 HydrophobicContact CG-CD2 4.29Å; M368-F372 HydrophobicContact CG-CE1 4.2Å; M368-F372 HydrophobicContact CG-CE2 3.64Å; M368-F372 HydrophobicContact CG-CZ 3.59Å; M368-F372 WeakPolarHBondContact O-CG 3.48Å; M368-F372 PolarHBondContact O-N 2.93Å; M368-F372 HydrophobicContact SD-CE2 4Å; M368-F372 HydrophobicContact SD-CZ 3.93Å; R369-F372 PolarHBondContact O-N 2.96Å; R369-F372 VanDerWaalsContact O-N 3.15Å; F372-Q374 PolarHBondContact O-N 3.31Å; F372-L375 HydrophobicContact CD1-CD1 3.9Å; F372-L375 PolarHBondContact O-N 2.89Å; F372-P376 WeakPolarHBondContact O-CD 3.49Å; F372-F400 HydrophobicContact CD1-CB 4.13Å; F372-F400 HydrophobicContact CD1-CD2 4.03Å; F372-F400 HydrophobicContact CD1-CG 4.39Å; F372-F400 HydrophobicContact CD2-CB 4.36Å; F372-F400 HydrophobicContact CE1-CB 4.09Å; F372-F400 AromaticContact CE1-CD2 3.74Å; F372-F400 HydrophobicContact CE1-CD2 3.74Å; F372-F400 HydrophobicContact CE1-CE2 4.41Å; F372-F400 HydrophobicContact CE1-CG 4.01Å; F372-F400 HydrophobicContact CE2-CB 4.31Å; F372-F400 HydrophobicContact CG-CB 4.27Å; F372-F400 HydrophobicContact CZ-CB 4.18Å; F372-F400 HydrophobicContact CZ-CD2 4.43Å; F372-F400 HydrophobicContact CZ-CG 4.27Å; F372-L403 HydrophobicContact CD2-CB 4.36Å; F372-L403 HydrophobicContact CE2-CB 3.87Å; F372-R404 HydrophobicContact CB-CB 3.93Å; F372-R404 HydrophobicContact CB-CG 4.03Å; F372-R404 HydrophobicContact CD2-CB 4.41Å; F372-L407 HydrophobicContact CD2-CD1 4.38Å; F372-L407 HydrophobicContact CE2-CD1 4.22Å
373Q98.5Very high98.3Very high69 Ų6941.1 Ų41.132%0.32220%0.196SC..Hα-helixtrans-63.3-22.3174.6-69.6166.5-15.900113.2R369 H370 A371 R404 E408R369-Q373 WeakPolarHBondContact O-CG 3.39Å; R369-Q373 PolarHBondContact O-N 3.01Å; H370-Q373 PolarHBondContact ND1-OE1 3.44Å; H370-Q373 WeakPolarHBondContact O-CB 3.44Å; H370-Q373 PolarHBondContact O-N 3.3Å; A371-Q373 VanDerWaalsContact C-N 3.28Å; A371-Q373 PolarHBondContact O-N 3.21Å; Q373-R404 HydrophobicContact CG-CG 4.16Å; Q373-E408 PolarHBondContact NE2-OE1 3.37Å
374Q98.6Very high98.2Very high31 Ų3139.7 Ų39.715%0.14520%0.203CC..Hα-helixtrans-84.9-19.6178.8-46.9-45.9-56.500113.4V341 Q344 V345 H370 A371 F372 E377 L378V341-Q374 HydrophobicContact CG1-CB 3.9Å; Q344-Q374 HydrophobicContact CB-CG 3.74Å; V345-Q374 HydrophobicContact CG2-CB 4.16Å; V345-Q374 HydrophobicContact CG2-CG 4.33Å; H370-Q374 PolarHBondContact CE1-NE2 2.87Å; H370-Q374 WeakPolarHBondContact O-CG 3.1Å; H370-Q374 PolarHBondContact O-NE2 3.37Å; A371-Q374 WeakPolarHBondContact O-CB 3.21Å; A371-Q374 PolarHBondContact O-N 2.98Å; A371-Q374 VanDerWaalsContact O-N 3.08Å; F372-Q374 PolarHBondContact O-N 3.31Å; Q374-E377 PolarHBondContact O-N 3.07Å; Q374-L378 PolarHBondContact O-N 3.33Å
375L98.5Very high98.2Very high12 Ų1239.7 Ų39.76%0.06320%0.203CC..Hα-helixtrans-62.5-42.1-172.2-54.9178.5000112.7F372 E377 L378 R379 M397 E399 F400F372-L375 HydrophobicContact CD1-CD1 3.9Å; F372-L375 PolarHBondContact O-N 2.89Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-E377 PolarHBondContact O-N 3.26Å; L375-L378 PolarHBondContact O-N 2.75Å; L375-R379 WeakPolarHBondContact O-CB 3.27Å; L375-R379 VanDerWaalsContact O-CG 3.28Å; L375-R379 WeakPolarHBondContact O-CG 3.43Å; L375-R379 PolarHBondContact O-N 3.42Å; L375-M397 HydrophobicContact CB-CE 4.01Å; L375-M397 HydrophobicContact CD2-CE 3.35Å; L375-M397 HydrophobicContact CG-CE 4.23Å; L375-E399 WeakPolarHBondContact CD1-O 3.19Å; L375-F400 HydrophobicContact CD1-CD2 3.75Å; L375-F400 HydrophobicContact CD1-CE2 4.42Å
376P98.4Very high98.1Very high46 Ų4647.7 Ų47.730%0.29925%0.246SC..Hα-helixtrans-58.9-42.8176.5-25.936000113.3F372 R379 A380F372-P376 WeakPolarHBondContact O-CD 3.49Å; P376-R379 PolarHBondContact O-N 2.83Å; P376-A380 PolarHBondContact O-N 2.82Å
377E98.2Very high98.1Very high96 Ų9647.5 Ų47.545%0.44924%0.243SC..Hα-helixtrans-64.1-47.2177.817860-158.300111.3V341 Q374 L375 R379 A380 Q381V341-E377 HydrophobicContact CG1-CB 4.31Å; V341-E377 HydrophobicContact CG1-CG 4.07Å; V341-E377 HydrophobicContact CG2-CG 3.93Å; Q374-E377 PolarHBondContact O-N 3.07Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-E377 PolarHBondContact O-N 3.26Å; E377-R379 VanDerWaalsContact C-N 3.3Å; E377-R379 PolarHBondContact O-N 2.87Å; E377-A380 PolarHBondContact O-N 3.34Å; E377-A380 VanDerWaalsContact O-N 3.16Å; E377-Q381 WeakPolarHBondContact O-CG 3.36Å; E377-Q381 PolarHBondContact O-N 3.28Å; E377-Q381 PolarHBondContact OE1-NE2 3.46Å
378L98.4Very high98.1Very high6 Ų647 Ų473%0.03126%0.258CS..Hα-helixtrans-60-40.8175-74.1174.1000111.9L338 V341 L342 V345 Q374 L375 A380 Q381 L382 M397L338-L378 HydrophobicContact CD2-CD2 3.89Å; V341-L378 HydrophobicContact CB-CD2 3.94Å; V341-L378 HydrophobicContact CB-CG 4.41Å; V341-L378 HydrophobicContact CG1-CD1 4.35Å; V341-L378 HydrophobicContact CG1-CD2 3.71Å; V341-L378 HydrophobicContact CG1-CG 3.62Å; L342-L378 HydrophobicContact CD2-CD1 4.01Å; L342-L378 HydrophobicContact CD2-CD2 4.11Å; L342-L378 HydrophobicContact CG-CD2 4.03Å; V345-L378 HydrophobicContact CG2-CD1 4.13Å; Q374-L378 PolarHBondContact O-N 3.33Å; L375-L378 PolarHBondContact O-N 2.75Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.29Å; L378-Q381 PolarHBondContact O-N 3.27Å; L378-L382 VanDerWaalsContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CB 3.22Å; L378-L382 VanDerWaalsContact O-CG 3.22Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 3.19Å; L378-M397 HydrophobicContact CB-CE 3.73Å; L378-M397 HydrophobicContact CB-SD 4.36Å; L378-M397 HydrophobicContact CD1-CE 3.89Å; L378-M397 HydrophobicContact CG-CE 4.48Å
379R98.3Very high98.1Very high42 Ų4247.8 Ų47.816%0.15826%0.264CS..Hα-helixtrans-63.5-39.5176.3-72.9-170.583.713819.8111.3L375 P376 E377 E383 R394 E395 M397 E399L375-R379 WeakPolarHBondContact O-CB 3.27Å; L375-R379 VanDerWaalsContact O-CG 3.28Å; L375-R379 WeakPolarHBondContact O-CG 3.43Å; L375-R379 PolarHBondContact O-N 3.42Å; P376-R379 PolarHBondContact O-N 2.83Å; E377-R379 VanDerWaalsContact C-N 3.3Å; E377-R379 PolarHBondContact O-N 2.87Å; R379-E383 WeakPolarHBondContact O-CB 3.15Å; R379-E383 PolarHBondContact O-N 3.46Å; R379-E383 VanDerWaalsContact O-N 3.16Å; R379-R394 HydrophobicContact CG-CG 4.33Å; R379-R394 PolarHBondContact O-NE 3.43Å; R379-R394 PolarHBondContact O-NH2 2.95Å; R379-E395 IonicContact NH2-OE2 3.57Å; R379-E395 PolarHBondContact NH2-OE2 3.46Å; R379-M397 HydrophobicContact CG-CE 4.41Å; R379-E399 IonicContact NH1-OE2 3.75Å; R379-E399 PolarHBondContact NH1-OE2 2.95Å
380A98.1Very high98.1Very high52 Ų5247.1 Ų47.143%0.4326%0.262SS..Hα-helixtrans-66.3-47.5177.200000111.6P376 E377 L378 L382 E383P376-A380 PolarHBondContact O-N 2.82Å; E377-A380 PolarHBondContact O-N 3.34Å; E377-A380 VanDerWaalsContact O-N 3.16Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.29Å; A380-L382 PolarHBondContact O-N 2.82Å; A380-E383 WeakPolarHBondContact O-CB 3.38Å; A380-E383 PolarHBondContact O-N 3.05Å
381Q97.3Very high98.1Very high23 Ų2346.6 Ų46.611%0.10726%0.26CS..Hα-helixtrans-62.5-41.7178.4-69-175.915.400112.3E337 L338 E377 L378 E383 T384E337-Q381 VanDerWaalsContact C-OE1 3.29Å; E337-Q381 PolarHBondContact O-OE1 2.92Å; L338-Q381 HydrophobicContact CD2-CB 4.01Å; L338-Q381 VanDerWaalsContact CD2-OE1 3.29Å; E377-Q381 WeakPolarHBondContact O-CG 3.36Å; E377-Q381 PolarHBondContact O-N 3.28Å; E377-Q381 PolarHBondContact OE1-NE2 3.46Å; L378-Q381 PolarHBondContact O-N 3.27Å; Q381-E383 VanDerWaalsContact C-N 3.33Å; Q381-E383 PolarHBondContact O-N 2.98Å; Q381-T384 PolarHBondContact O-OG1 3.32Å
382L98.1Very high98.1Very high19 Ų1949.6 Ų49.610%0.09928%0.284CS..Hα-helixtrans-78.7-12.5-178-66.3175.4000113.9L331 L338 L378 A380 T384 V385 V390 Q391 R394 M397L331-L382 HydrophobicContact CD2-CD2 3.82Å; L338-L382 HydrophobicContact CD1-CD2 3.92Å; L338-L382 HydrophobicContact CD2-CD2 3.78Å; L338-L382 HydrophobicContact CD2-CG 4.03Å; L378-L382 VanDerWaalsContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CB 3.22Å; L378-L382 VanDerWaalsContact O-CG 3.22Å; L378-L382 WeakPolarHBondContact O-CG 3.31Å; L378-L382 PolarHBondContact O-N 3.19Å; A380-L382 PolarHBondContact O-N 2.82Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.1Å; L382-V385 HydrophobicContact CD2-CG2 4.49Å; L382-V385 PolarHBondContact O-N 3.41Å; L382-V390 HydrophobicContact CB-CG1 4.43Å; L382-V390 HydrophobicContact CD2-CG1 3.88Å; L382-Q391 PolarHBondContact O-NE2 2.94Å; L382-R394 HydrophobicContact CB-CB 4.32Å; L382-R394 HydrophobicContact CB-CG 4.17Å; L382-R394 HydrophobicContact CD1-CB 4.29Å; L382-M397 HydrophobicContact CD1-SD 4.26Å
383E97.8Very high98.1Very high124 Ų12453.9 Ų53.958%0.57931%0.307SS*.Hα-helixtrans-65.8-35.9-179.5-174.4169.2155.300112.5R379 A380 Q381 V385 R394R379-E383 WeakPolarHBondContact O-CB 3.15Å; R379-E383 PolarHBondContact O-N 3.46Å; R379-E383 VanDerWaalsContact O-N 3.16Å; A380-E383 WeakPolarHBondContact O-CB 3.38Å; A380-E383 PolarHBondContact O-N 3.05Å; Q381-E383 VanDerWaalsContact C-N 3.33Å; Q381-E383 PolarHBondContact O-N 2.98Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.21Å; E383-R394 IonicContact OE2-NH2 2.74Å; E383-R394 PolarHBondContact OE2-NH2 3.26Å; E383-R394 VanDerWaalsContact OE2-NH2 3.07Å
384T96.6Very high98.1Very high105 Ų10552.4 Ų52.464%0.64430%0.298SS*.THydrogen-bonded Turntrans-81.4-6.8-176.861.80000113.5Q381 L382 D386Q381-T384 PolarHBondContact O-OG1 3.32Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.1Å; T384-D386 PolarHBondContact O-N 3.37Å
385V97.7Very high98.1Very high4 Ų456.9 Ų56.92%0.02432%0.319CS..  trans-82.4108-179-174.60000110A330 L331 F334 L382 E383 S387 V390 Q391A330-V385 HydrophobicContact CB-CG1 3.82Å; L331-V385 HydrophobicContact CD2-CG1 4.01Å; L331-V385 HydrophobicContact CD2-CG2 4.03Å; F334-V385 HydrophobicContact CD1-CG2 4.17Å; F334-V385 HydrophobicContact CD2-CG2 3.9Å; F334-V385 HydrophobicContact CE1-CG2 4.06Å; F334-V385 HydrophobicContact CE2-CG2 3.8Å; F334-V385 HydrophobicContact CG-CG2 4.09Å; F334-V385 HydrophobicContact CZ-CG2 3.87Å; L382-V385 HydrophobicContact CD2-CG2 4.49Å; L382-V385 PolarHBondContact O-N 3.41Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.21Å; V385-S387 VanDerWaalsContact C-N 3.31Å; V385-S387 PolarHBondContact O-N 3.15Å; V385-V390 HydrophobicContact CB-CG1 4.05Å; V385-V390 HydrophobicContact CG1-CB 4.23Å; V385-V390 HydrophobicContact CG1-CG1 4Å; V385-V390 HydrophobicContact CG1-CG2 4.1Å; V385-Q391 PolarHBondContact O-NE2 3.08Å
386D97Very high98.1Very high168 Ų16865 Ų6590%0.89835%0.354SS*.  trans-75.379.4177.7-172.216000111.7T384T384-D386 PolarHBondContact O-N 3.37Å
387S98.1Very high98.1Very high10 Ų1065 Ų657%0.0735%0.351CS..  trans-156.1115.6178177.90000110.9V385 P389 V390 Q391V385-S387 VanDerWaalsContact C-N 3.31Å; V385-S387 PolarHBondContact O-N 3.15Å; S387-P389 WeakPolarHBondContact OG-CD 3.13Å; S387-V390 WeakPolarHBondContact O-CB 3.29Å; S387-V390 PolarHBondContact O-N 2.68Å; S387-Q391 PolarHBondContact O-N 2.84Å
388A98.1Very high98Very high80 Ų8061.3 Ų61.366%0.66134%0.338SS*.Hα-helixtrans-57.2-42-178.300000113.8V390 Q391 A392A388-V390 VanDerWaalsContact C-N 3.31Å; A388-V390 PolarHBondContact O-N 2.61Å; A388-Q391 PolarHBondContact O-N 3.19Å; A388-A392 PolarHBondContact O-N 3.21Å
389P98.3Very high98Very high19 Ų1964.5 Ų64.512%0.12335%0.353CS..Hα-helixtrans-59.9-36.9172.7-26.536.1000113.9E323 T327 S387 A392 L393E323-P389 HydrophobicContact CB-CB 4.27Å; E323-P389 HydrophobicContact CB-CG 3.86Å; E323-P389 HydrophobicContact CG-CG 3.94Å; T327-P389 WeakPolarHBondContact OG1-CB 3.48Å; S387-P389 WeakPolarHBondContact OG-CD 3.13Å; P389-A392 PolarHBondContact O-N 3.15Å; P389-L393 WeakPolarHBondContact O-CG 3.36Å; P389-L393 PolarHBondContact O-N 3.23Å; P389-L393 VanDerWaalsContact O-N 3.08Å
390V98.6Very high97.9Very high2 Ų267.4 Ų67.41%0.01237%0.367CS..Hα-helixtrans-66.8-44.7176.5174.70000110.4T327 L331 L382 V385 S387 A388 A392 L393 R394T327-V390 HydrophobicContact CG2-CG2 3.93Å; L331-V390 HydrophobicContact CD1-CG2 4.17Å; L331-V390 HydrophobicContact CD2-CG1 4.21Å; L331-V390 HydrophobicContact CD2-CG2 4.21Å; L331-V390 HydrophobicContact CG-CG2 4.02Å; L382-V390 HydrophobicContact CB-CG1 4.43Å; L382-V390 HydrophobicContact CD2-CG1 3.88Å; V385-V390 HydrophobicContact CB-CG1 4.05Å; V385-V390 HydrophobicContact CG1-CB 4.23Å; V385-V390 HydrophobicContact CG1-CG1 4Å; V385-V390 HydrophobicContact CG1-CG2 4.1Å; S387-V390 WeakPolarHBondContact O-CB 3.29Å; S387-V390 PolarHBondContact O-N 2.68Å; A388-V390 VanDerWaalsContact C-N 3.31Å; A388-V390 PolarHBondContact O-N 2.61Å; V390-A392 VanDerWaalsContact C-N 3.29Å; V390-A392 PolarHBondContact O-N 3.31Å; V390-L393 WeakPolarHBondContact O-CB 3.36Å; V390-L393 PolarHBondContact O-N 3.44Å; V390-L393 VanDerWaalsContact O-N 3.13Å; V390-R394 WeakPolarHBondContact O-CB 3.48Å; V390-R394 PolarHBondContact O-N 2.6Å
391Q98.5Very high97.9Very high61 Ų6166.9 Ų66.929%0.28536%0.362SS..Hα-helixtrans-63.4-36177-62.1-52.3-35.400112.1L382 V385 S387 A388 R394 E395L382-Q391 PolarHBondContact O-NE2 2.94Å; V385-Q391 PolarHBondContact O-NE2 3.08Å; S387-Q391 PolarHBondContact O-N 2.84Å; A388-Q391 PolarHBondContact O-N 3.19Å; Q391-R394 PolarHBondContact O-N 2.91Å; Q391-E395 PolarHBondContact O-N 3.43Å
392A98.5Very high97.9Very high63 Ų6373.8 Ų73.852%0.52140%0.395SS..Hα-helixtrans-64.4-38.9173.300000112.5A388 P389 V390 K396A388-A392 PolarHBondContact O-N 3.21Å; P389-A392 PolarHBondContact O-N 3.15Å; V390-A392 VanDerWaalsContact C-N 3.29Å; V390-A392 PolarHBondContact O-N 3.31Å; A392-K396 VanDerWaalsContact O-CB 3.32Å; A392-K396 WeakPolarHBondContact O-CB 3.24Å; A392-K396 PolarHBondContact O-N 3.39Å
393L98.5Very high97.9Very high99 Ų9975.1 Ų75.152%0.51840%0.402SS..Hα-helixtrans-67.9-42174-72.6169.6000112P389 V390 E395 K396 M397P389-L393 WeakPolarHBondContact O-CG 3.36Å; P389-L393 PolarHBondContact O-N 3.23Å; P389-L393 VanDerWaalsContact O-N 3.08Å; V390-L393 WeakPolarHBondContact O-CB 3.36Å; V390-L393 PolarHBondContact O-N 3.44Å; V390-L393 VanDerWaalsContact O-N 3.13Å; L393-E395 VanDerWaalsContact C-N 3.29Å; L393-E395 PolarHBondContact O-N 3.41Å; L393-K396 PolarHBondContact O-N 3.37Å; L393-M397 WeakPolarHBondContact O-CG 3.26Å; L393-M397 PolarHBondContact O-N 2.79Å
394R98.4Very high98Very high39 Ų3972.3 Ų72.315%0.14739%0.386CS..Hα-helixtrans-58.8-39.4175.1-178.7-174.2177.9-97.97111.9R379 L382 E383 V390 Q391 M397R379-R394 HydrophobicContact CG-CG 4.33Å; R379-R394 PolarHBondContact O-NE 3.43Å; R379-R394 PolarHBondContact O-NH2 2.95Å; L382-R394 HydrophobicContact CB-CB 4.32Å; L382-R394 HydrophobicContact CB-CG 4.17Å; L382-R394 HydrophobicContact CD1-CB 4.29Å; E383-R394 IonicContact OE2-NH2 2.74Å; E383-R394 PolarHBondContact OE2-NH2 3.26Å; E383-R394 VanDerWaalsContact OE2-NH2 3.07Å; V390-R394 WeakPolarHBondContact O-CB 3.48Å; V390-R394 PolarHBondContact O-N 2.6Å; Q391-R394 PolarHBondContact O-N 2.91Å; R394-M397 WeakPolarHBondContact O-CG 3.15Å
395E98.4Very high98.1Very high125 Ų12570.6 Ų70.658%0.58437%0.373SS*.Hα-helixtrans-72.6-42.6175.9-173.956.3-16000111.5R379 Q391 L393 M397 G398R379-E395 IonicContact NH2-OE2 3.57Å; R379-E395 PolarHBondContact NH2-OE2 3.46Å; Q391-E395 PolarHBondContact O-N 3.43Å; L393-E395 VanDerWaalsContact C-N 3.29Å; L393-E395 PolarHBondContact O-N 3.41Å; E395-M397 VanDerWaalsContact C-N 3.3Å; E395-M397 PolarHBondContact O-N 3.2Å; E395-G398 PolarHBondContact O-N 2.91Å; E395-G398 VanDerWaalsContact O-N 3.14Å
396K98.3Very high98.1Very high182 Ų18271.2 Ų71.279%0.79138%0.376SS*.Hα-helixtrans-63-32.2-179.2-174.2177.1179.7-179.10113.8A392 L393 G398A392-K396 VanDerWaalsContact O-CB 3.32Å; A392-K396 WeakPolarHBondContact O-CB 3.24Å; A392-K396 PolarHBondContact O-N 3.39Å; L393-K396 PolarHBondContact O-N 3.37Å; K396-G398 PolarHBondContact O-N 3.46Å
397M97.9Very high98.2Very high47 Ų4763.2 Ų63.223%0.23233%0.333CS..THydrogen-bonded Turntrans-69.5-18.8178.358.8174.1-7300113.4L375 L378 R379 L382 L393 R394 E395 F400L375-M397 HydrophobicContact CB-CE 4.01Å; L375-M397 HydrophobicContact CD2-CE 3.35Å; L375-M397 HydrophobicContact CG-CE 4.23Å; L378-M397 HydrophobicContact CB-CE 3.73Å; L378-M397 HydrophobicContact CB-SD 4.36Å; L378-M397 HydrophobicContact CD1-CE 3.89Å; L378-M397 HydrophobicContact CG-CE 4.48Å; R379-M397 HydrophobicContact CG-CE 4.41Å; L382-M397 HydrophobicContact CD1-SD 4.26Å; L393-M397 WeakPolarHBondContact O-CG 3.26Å; L393-M397 PolarHBondContact O-N 2.79Å; R394-M397 WeakPolarHBondContact O-CG 3.15Å; E395-M397 VanDerWaalsContact C-N 3.3Å; E395-M397 PolarHBondContact O-N 3.2Å; M397-F400 WeakPolarHBondContact O-CE2 3.33Å
398G97.4Very high98.2Very high18 Ų1866.4 Ų66.419%0.18635%0.347CS..  trans64.9-159.5179.100000114.1E395 K396E395-G398 PolarHBondContact O-N 2.91Å; E395-G398 VanDerWaalsContact O-N 3.14Å; K396-G398 PolarHBondContact O-N 3.46Å
399E97.2Very high98.2Very high73 Ų7368.4 Ų68.434%0.34134%0.337SS..  trans-145.3-33.3179.7-170.2174.6155.800113.5L375 R379 A401L375-E399 WeakPolarHBondContact CD1-O 3.19Å; R379-E399 IonicContact NH1-OE2 3.75Å; R379-E399 PolarHBondContact NH1-OE2 2.95Å; E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 3.01Å
400F97.6Very high98.2Very high102 Ų10267.5 Ų67.545%0.44733%0.331SS..  trans53.638.1172.8-52.3-77.8000114.6F372 L375 M397 E402 L403 R404F372-F400 HydrophobicContact CD1-CB 4.13Å; F372-F400 HydrophobicContact CD1-CD2 4.03Å; F372-F400 HydrophobicContact CD1-CG 4.39Å; F372-F400 HydrophobicContact CD2-CB 4.36Å; F372-F400 HydrophobicContact CE1-CB 4.09Å; F372-F400 AromaticContact CE1-CD2 3.74Å; F372-F400 HydrophobicContact CE1-CD2 3.74Å; F372-F400 HydrophobicContact CE1-CE2 4.41Å; F372-F400 HydrophobicContact CE1-CG 4.01Å; F372-F400 HydrophobicContact CE2-CB 4.31Å; F372-F400 HydrophobicContact CG-CB 4.27Å; F372-F400 HydrophobicContact CZ-CB 4.18Å; F372-F400 HydrophobicContact CZ-CD2 4.43Å; F372-F400 HydrophobicContact CZ-CG 4.27Å; L375-F400 HydrophobicContact CD1-CD2 3.75Å; L375-F400 HydrophobicContact CD1-CE2 4.42Å; M397-F400 WeakPolarHBondContact O-CE2 3.33Å; F400-E402 VanDerWaalsContact C-N 3.29Å; F400-E402 PolarHBondContact O-N 3.38Å; F400-L403 HydrophobicContact CB-CB 4.3Å; F400-L403 HydrophobicContact CB-CD1 4.37Å; F400-L403 HydrophobicContact CD1-CD1 4Å; F400-L403 PolarHBondContact O-N 2.56Å; F400-L403 VanDerWaalsContact O-N 3.08Å; F400-R404 PolarHBondContact O-N 2.68Å
401A97.8Very high98.2Very high41 Ų4167.4 Ų67.434%0.33933%0.331SS..Hα-helixtrans-54.8-40.8-176.400000113.5E399 R404 D405E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 3.01Å; A401-R404 PolarHBondContact O-N 3.44Å; A401-D405 WeakPolarHBondContact O-CB 3.34Å; A401-D405 PolarHBondContact O-N 3.41Å
402E97.9Very high98.1Very high169 Ų16967.3 Ų67.379%0.7933%0.332SS*.Hα-helixtrans-63.6-41.9177.2-63.8175.3179.500112.3F400 L406F400-E402 VanDerWaalsContact C-N 3.29Å; F400-E402 PolarHBondContact O-N 3.38Å; E402-L406 WeakPolarHBondContact O-CB 3.5Å; E402-L406 PolarHBondContact O-N 2.88Å
403L98.2Very high98Very high46 Ų4670.9 Ų70.924%0.24134%0.342CS..Hα-helixtrans-74.5-34179-55.3-175.1000111.8F372 F400 L406 L407 L535F372-L403 HydrophobicContact CD2-CB 4.36Å; F372-L403 HydrophobicContact CE2-CB 3.87Å; F400-L403 HydrophobicContact CB-CB 4.3Å; F400-L403 HydrophobicContact CB-CD1 4.37Å; F400-L403 HydrophobicContact CD1-CD1 4Å; F400-L403 PolarHBondContact O-N 2.56Å; F400-L403 VanDerWaalsContact O-N 3.08Å; L403-L406 PolarHBondContact O-N 3.09Å; L403-L407 WeakPolarHBondContact O-CG 3.16Å; L403-L407 PolarHBondContact O-N 3.38Å; L403-L535 HydrophobicContact CB-CD2 4.29Å; L403-L535 HydrophobicContact CD1-CD2 4.23Å; L403-L535 HydrophobicContact CD2-CD2 4.15Å; L403-L535 HydrophobicContact CG-CD2 4.45Å
404R98.4Very high97.9Very high65 Ų6572 Ų7225%0.24535%0.354CS..Hα-helixtrans-59-52.3172-172.8-167.668.5-152.2-5.8110.2F372 Q373 F400 A401 L406 L407 E408F372-R404 HydrophobicContact CB-CB 3.93Å; F372-R404 HydrophobicContact CB-CG 4.03Å; F372-R404 HydrophobicContact CD2-CB 4.41Å; Q373-R404 HydrophobicContact CG-CG 4.16Å; F400-R404 PolarHBondContact O-N 2.68Å; A401-R404 PolarHBondContact O-N 3.44Å; R404-L406 PolarHBondContact O-N 3.49Å; R404-L407 PolarHBondContact O-N 2.89Å; R404-E408 IonicContact NE-OE1 2.77Å; R404-E408 IonicContact NE-OE2 3.12Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.48Å; R404-E408 PolarHBondContact O-N 3.29Å
405D98.4Very high97.9Very high69 Ų6970.3 Ų70.337%0.36935%0.347SS..Hα-helixtrans-60.7-42.3178.7174.878.3000112.1A401 L407 E408 R409A401-D405 WeakPolarHBondContact O-CB 3.34Å; A401-D405 PolarHBondContact O-N 3.41Å; D405-L407 PolarHBondContact O-N 3.35Å; D405-E408 PolarHBondContact O-N 3.42Å; D405-R409 PolarHBondContact O-N 2.99Å; D405-R409 IonicContact OD1-NE 3.26Å; D405-R409 IonicContact OD2-CZ 3.83Å; D405-R409 IonicContact OD2-NE 2.71Å; D405-R409 PolarHBondContact OD2-NE 3.23Å; D405-R409 IonicContact OD2-NH2 3.27Å; D405-R409 PolarHBondContact OD2-NH2 2.9Å
406L98.5Very high97.8Very high18 Ų1866.5 Ų66.59%0.09433%0.334CS..Hα-helixtrans-54.9-51.1173.9173.662.9000111.7E402 L403 R404 R409 A410 Y429 L531 L534E402-L406 WeakPolarHBondContact O-CB 3.5Å; E402-L406 PolarHBondContact O-N 2.88Å; L403-L406 PolarHBondContact O-N 3.09Å; R404-L406 PolarHBondContact O-N 3.49Å; L406-R409 PolarHBondContact O-N 2.98Å; L406-A410 WeakPolarHBondContact O-CB 3.35Å; L406-A410 PolarHBondContact O-N 3.17Å; L406-Y429 HydrophobicContact CD1-CE2 4.05Å; L406-L531 HydrophobicContact CD1-CD2 4.11Å; L406-L531 HydrophobicContact CD2-CD2 4.36Å; L406-L531 HydrophobicContact CG-CD2 4.2Å; L406-L534 HydrophobicContact CD1-CD1 4.14Å; L406-L534 HydrophobicContact CD2-CB 3.89Å; L406-L534 HydrophobicContact CD2-CD1 4Å
407L98.5Very high97.6Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-71.6-28.4-177.9-67.6176.6000113.3L365 M368 R369 F372 L403 R404 D405 I411 L535L365-L407 HydrophobicContact CB-CD2 4.25Å; M368-L407 HydrophobicContact CB-CD1 4.44Å; M368-L407 HydrophobicContact CG-CD1 4.22Å; M368-L407 HydrophobicContact SD-CD1 4.21Å; R369-L407 HydrophobicContact CB-CB 3.82Å; R369-L407 HydrophobicContact CB-CD1 4Å; R369-L407 HydrophobicContact CG-CB 4Å; R369-L407 PolarHBondContact NH1-O 3.11Å; F372-L407 HydrophobicContact CD2-CD1 4.38Å; F372-L407 HydrophobicContact CE2-CD1 4.22Å; L403-L407 WeakPolarHBondContact O-CG 3.16Å; L403-L407 PolarHBondContact O-N 3.38Å; R404-L407 PolarHBondContact O-N 2.89Å; D405-L407 PolarHBondContact O-N 3.35Å; L407-I411 HydrophobicContact CD2-CD1 3.93Å; L407-I411 PolarHBondContact O-N 2.9Å; L407-L535 HydrophobicContact CD2-CD1 4.24Å
408E98.5Very high97.4Very high77 Ų7761.8 Ų61.836%0.3632%0.32SS..Hα-helixtrans-67.3-41.3172.4-77172.3172.200111.5R369 Q373 R404 D405R369-E408 HydrophobicContact CG-CG 3.96Å; Q373-E408 PolarHBondContact NE2-OE1 3.37Å; R404-E408 IonicContact NE-OE1 2.77Å; R404-E408 IonicContact NE-OE2 3.12Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.48Å; R404-E408 PolarHBondContact O-N 3.29Å; D405-E408 PolarHBondContact O-N 3.42Å
409R98.3Very high97.3Very high121 Ų12162.5 Ų62.546%0.45732%0.321SS..Hα-helixtrans-77.3-33.7176.2-69.9-175.4-70.3991.3113.5D405 L406 Y429D405-R409 PolarHBondContact O-N 2.99Å; D405-R409 IonicContact OD1-NE 3.26Å; D405-R409 IonicContact OD2-CZ 3.83Å; D405-R409 IonicContact OD2-NE 2.71Å; D405-R409 PolarHBondContact OD2-NE 3.23Å; D405-R409 IonicContact OD2-NH2 3.27Å; D405-R409 PolarHBondContact OD2-NH2 2.9Å; L406-R409 PolarHBondContact O-N 2.98Å; R409-Y429 HydrophobicContact CB-CD2 4.38Å
410A98.3Very high97Very high0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-84.7-37.1-170.800000114.2L406 I425 A426 Y429 L531L406-A410 WeakPolarHBondContact O-CB 3.35Å; L406-A410 PolarHBondContact O-N 3.17Å; A410-I425 CarbonylContact O-C 3.58Å; A410-I425 WeakPolarHBondContact O-CA 3.41Å; A410-A426 PolarHBondContact O-N 2.85Å; A410-Y429 VanDerWaalsContact CA-CD2 3.49Å; A410-Y429 HydrophobicContact CB-CD1 4.28Å; A410-Y429 HydrophobicContact CB-CD2 3.75Å; A410-Y429 HydrophobicContact CB-CE1 4.06Å; A410-Y429 HydrophobicContact CB-CE2 3.52Å; A410-Y429 HydrophobicContact CB-CG 4.12Å; A410-L531 HydrophobicContact CB-CD1 4.16Å; A410-L531 HydrophobicContact CB-CD2 3.76Å
411I98Very high96.5Very high1 Ų163.3 Ų63.31%0.00533%0.326CS..BIsolated β-bridgetrans-117.8138.4-169.2-57-179.5000110.1L365 R369 L407 P415 V424 L531L365-I411 HydrophobicContact CB-CD1 3.37Å; L365-I411 HydrophobicContact CD1-CD1 3.68Å; L365-I411 HydrophobicContact CG-CD1 4.17Å; R369-I411 PolarHBondContact NH1-O 2.98Å; L407-I411 HydrophobicContact CD2-CD1 3.93Å; L407-I411 PolarHBondContact O-N 2.9Å; I411-P415 HydrophobicContact CG2-CB 4.01Å; I411-P415 HydrophobicContact CG2-CG 3.87Å; I411-V424 WeakPolarHBondContact CA-O 3.33Å; I411-V424 HydrophobicContact CG2-CG1 4.3Å; I411-L531 HydrophobicContact CD1-CD1 4.04Å; I411-L531 HydrophobicContact CG1-CD1 4.04Å
412I97.9Very high96.3Very high59 Ų5961.8 Ų61.830%0.30332%0.315SS..  trans-61.1165.1174.864.8167.3000112.6R369 T414 P415 G423 V424 A426R369-I412 PolarHBondContact NH1-O 2.97Å; R369-I412 PolarHBondContact NH2-O 3.38Å; R369-I412 VanDerWaalsContact NH2-O 3.14Å; I412-T414 PolarHBondContact O-N 2.74Å; I412-P415 HydrophobicContact CG1-CB 3.96Å; I412-G423 WeakPolarHBondContact CD1-O 3.4Å; I412-V424 PolarHBondContact N-O 3.31Å; I412-A426 HydrophobicContact CG2-CB 4Å
413D96.4Very high96.2Very high137 Ų13755.6 Ų55.673%0.73330%0.296SS*.SBendtrans-59.1-44.8-177.4-69.9-13.2000113R369R369-D413 PolarHBondContact NH2-O 3.36Å; R369-D413 VanDerWaalsContact NH2-O 3.14Å
414T96.1Very high96.2Very high124 Ų12453.4 Ų53.476%0.76129%0.285SS*.SBendtrans-128.877-17650.30000111I412I412-T414 PolarHBondContact O-N 2.74Å
415P97.2Very high96.2Very high3 Ų350.3 Ų50.32%0.01927%0.273CS..  trans-69.5156.9-175.430.8-36.3000112.5P362 R363 A366 I411 I412P362-P415 HydrophobicContact CB-CB 3.68Å; P362-P415 HydrophobicContact CB-CG 3.95Å; R363-P415 HydrophobicContact CG-CG 4.37Å; R363-P415 PolarHBondContact NE-O 2.8Å; A366-P415 HydrophobicContact CB-CG 3.84Å; I411-P415 HydrophobicContact CG2-CB 4.01Å; I411-P415 HydrophobicContact CG2-CG 3.87Å; I412-P415 HydrophobicContact CG1-CB 3.96Å
416P96.4Very high96.2Very high45 Ų4547.8 Ų47.829%0.29226%0.261SS..  trans-61.6167.3172.926.7-34.3000111.6P362 L418 G422 G423 V424P362-P416 WeakPolarHBondContact CB-O 3.32Å; P416-L418 VanDerWaalsContact C-N 3.3Å; P416-L418 PolarHBondContact O-N 2.69Å; P416-G422 WeakPolarHBondContact CG-O 3.46Å; P416-G423 WeakPolarHBondContact CD-O 3.41Å; P416-V424 HydrophobicContact CG-CG2 3.73Å
417V94.2Very high96.1Very high66 Ų6651.5 Ų51.540%0.429%0.289SS..SBendtrans-66.2-33.9-177.7-179.90000112
418L93.9Very high96.1Very high64 Ų6454.7 Ų54.734%0.33532%0.322SS..  trans-130.4146.4-175.4-62.8174.4000110.1R361 P416 R420R361-L418 HydrophobicContact CG-CD2 4.44Å; P416-L418 VanDerWaalsContact C-N 3.3Å; P416-L418 PolarHBondContact O-N 2.69Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.21Å
419V94.9Very high96Very high33 Ų3353.1 Ų53.120%0.231%0.313CS..G310 helixtrans-74.6-15.7174.867.60000113.2P362 D421 G422 V424 K525 Y528P362-V419 HydrophobicContact CG-CB 4.14Å; V419-D421 PolarHBondContact O-N 3.4Å; V419-D421 VanDerWaalsContact O-N 3.09Å; V419-G422 PolarHBondContact O-N 2.92Å; V419-G422 VanDerWaalsContact O-N 3.09Å; V419-V424 HydrophobicContact CB-CG2 4.37Å; V419-V424 HydrophobicContact CG2-CG2 4.28Å; V419-K525 HydrophobicContact CG2-CG 4.32Å; V419-Y528 HydrophobicContact CB-CD1 4.26Å; V419-Y528 HydrophobicContact CB-CE1 4.47Å; V419-Y528 HydrophobicContact CB-CG 4.41Å; V419-Y528 HydrophobicContact CG1-CD1 4.26Å; V419-Y528 HydrophobicContact CG1-CE1 4.45Å; V419-Y528 HydrophobicContact CG2-CD1 4.04Å; V419-Y528 HydrophobicContact CG2-CD2 4.25Å; V419-Y528 HydrophobicContact CG2-CG 3.79Å
420R90.8Very high96Very high75 Ų7549.3 Ų49.328%0.28330%0.302SS..G310 helixtrans-55.4-35.4-171.4-175.4-174.664.5-147.4-6.7113.7Y73 L418 L521 K525Y73-R420 PolarHBondContact OH-NH1 2.83Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.21Å; R420-L521 WeakPolarHBondContact O-CD1 3.41Å; R420-K525 WeakPolarHBondContact O-CE 3.36Å; R420-K525 PolarHBondContact O-NZ 3.43Å
421D88.1Confident96Very high116 Ų11657.3 Ų57.362%0.6234%0.34SS*.G310 helixtrans-101.23.2-172.3-52-40.6000112.3V419V419-D421 PolarHBondContact O-N 3.4Å; V419-D421 VanDerWaalsContact O-N 3.09Å
422G93.7Very high95.9Very high10 Ų1062 Ų6210%0.10336%0.361CS..  trans74.8-169.8-179.700000114.1P416 V419 E524P416-G422 WeakPolarHBondContact CG-O 3.46Å; V419-G422 PolarHBondContact O-N 2.92Å; V419-G422 VanDerWaalsContact O-N 3.09Å; G422-E524 WeakPolarHBondContact CA-OE2 3.46Å
423G95.5Very high95.9Very high39 Ų3959.1 Ų59.140%0.40235%0.347SS..  trans75.932.1179.500000113.6I412 P416 E524I412-G423 WeakPolarHBondContact CD1-O 3.4Å; P416-G423 WeakPolarHBondContact CD-O 3.41Å; G423-E524 VanDerWaalsContact N-CD 3.35Å; G423-E524 PolarHBondContact N-OE1 3.26Å; G423-E524 PolarHBondContact N-OE2 3.21Å
424V98.2Very high95.8Very high0 Ų054.7 Ų54.70%032%0.323CS..  trans-105.8-49.2179173.90000110.6P362 I411 I412 P416 V419 E524 Y528P362-V424 HydrophobicContact CB-CB 4.49Å; P362-V424 HydrophobicContact CB-CG1 3.77Å; P362-V424 HydrophobicContact CB-CG2 3.88Å; P362-V424 HydrophobicContact CG-CB 4.42Å; P362-V424 HydrophobicContact CG-CG1 3.97Å; P362-V424 HydrophobicContact CG-CG2 3.52Å; I411-V424 WeakPolarHBondContact CA-O 3.33Å; I411-V424 HydrophobicContact CG2-CG1 4.3Å; I412-V424 PolarHBondContact N-O 3.31Å; P416-V424 HydrophobicContact CG-CG2 3.73Å; V419-V424 HydrophobicContact CB-CG2 4.37Å; V419-V424 HydrophobicContact CG2-CG2 4.28Å; V424-E524 PolarHBondContact N-OE1 2.7Å; V424-Y528 HydrophobicContact CG1-CD2 3.88Å; V424-Y528 HydrophobicContact CG1-CE2 4.02Å
425I98.3Very high95.7Very high0 Ų055 Ų550%032%0.316CS..BIsolated β-bridgetrans-76.7131.5-174.8-62.3-64.5000109.3A410 Y429 L433 R437 E524 L527 L531A410-I425 CarbonylContact O-C 3.58Å; A410-I425 WeakPolarHBondContact O-CA 3.41Å; I425-Y429 HydrophobicContact CG2-CD1 3.63Å; I425-Y429 HydrophobicContact CG2-CG 4.21Å; I425-L433 HydrophobicContact CB-CD2 3.81Å; I425-L433 HydrophobicContact CG2-CD2 3.59Å; I425-R437 VanDerWaalsContact O-CZ 3.26Å; I425-R437 PolarHBondContact O-NH1 2.94Å; I425-R437 PolarHBondContact O-NH2 3.19Å; I425-E524 HydrophobicContact CB-CG 4.1Å; I425-E524 HydrophobicContact CG1-CG 3.72Å; I425-E524 PolarHBondContact N-OE1 3.38Å; I425-L527 HydrophobicContact CD1-CB 4.34Å; I425-L527 HydrophobicContact CG1-CB 4.32Å; I425-L527 HydrophobicContact CG2-CD1 4.41Å; I425-L531 HydrophobicContact CD1-CD1 4.13Å
426A98.1Very high95.6Very high15 Ų1558 Ų5812%0.12433%0.327CS..PPolyproline II helixtrans-72.3154.6-178.400000112.4A410 I412 Y429A410-A426 PolarHBondContact O-N 2.85Å; I412-A426 HydrophobicContact CG2-CB 4Å; A426-Y429 WeakPolarHBondContact O-CB 3.46Å
427S97.3Very high95.3Very high96 Ų9658 Ų5867%0.67132%0.321SS*.THydrogen-bonded Turntrans-65.5142.9170.2-64.30000110.8Y429 D434S427-Y429 VanDerWaalsContact C-N 3.3Å; S427-D434 WeakPolarHBondContact CA-OD1 3.47Å
428G97Very high95.1Very high68 Ų6858 Ų5870%0.70133%0.327SS*.THydrogen-bonded Turntrans84.2-4.2-176.900000114.7D434G428-D434 WeakPolarHBondContact CA-OD2 3.37Å; G428-D434 PolarHBondContact N-OD2 2.83Å
429Y98Very high94.7Very high43 Ų4357.7 Ų57.717%0.16933%0.326CS..SBendtrans-77.2-37.6175.3-175.9-114.5000112.5L406 R409 A410 I425 A426 S427 L527 L531L406-Y429 HydrophobicContact CD1-CE2 4.05Å; R409-Y429 HydrophobicContact CB-CD2 4.38Å; A410-Y429 VanDerWaalsContact CA-CD2 3.49Å; A410-Y429 HydrophobicContact CB-CD1 4.28Å; A410-Y429 HydrophobicContact CB-CD2 3.75Å; A410-Y429 HydrophobicContact CB-CE1 4.06Å; A410-Y429 HydrophobicContact CB-CE2 3.52Å; A410-Y429 HydrophobicContact CB-CG 4.12Å; I425-Y429 HydrophobicContact CG2-CD1 3.63Å; I425-Y429 HydrophobicContact CG2-CG 4.21Å; A426-Y429 WeakPolarHBondContact O-CB 3.46Å; S427-Y429 VanDerWaalsContact C-N 3.3Å; Y429-L527 HydrophobicContact CE1-CD2 4.28Å; Y429-L531 WeakPolarHBondContact OH-CD2 3.49Å
430N98.2Very high94Very high41 Ų4156.9 Ų56.922%0.21932%0.322CS..  trans-143.8118.8-179.2-178.9-88.3000110E432 L433 D434 L527N430-E432 PolarHBondContact O-N 3.36Å; N430-E432 PolarHBondContact OD1-N 3.25Å; N430-L433 HydrophobicContact CB-CB 4.12Å; N430-L433 PolarHBondContact O-N 3.15Å; N430-L433 PolarHBondContact OD1-N 3.47Å; N430-D434 PolarHBondContact O-N 2.56Å; N430-L527 HydrophobicContact CB-CD1 3.63Å; N430-L527 HydrophobicContact CB-CD2 4.31Å
431E97.2Very high93.6Very high169 Ų16959 Ų5979%0.7934%0.339SS*.Hα-helixtrans-61.6-41.4-174.9-63.5-178.5167.200112.4L433 D434 E435E431-L433 VanDerWaalsContact C-N 3.35Å; E431-L433 PolarHBondContact O-N 3.03Å; E431-D434 PolarHBondContact O-N 3.04Å; E431-E435 WeakPolarHBondContact O-CG 3.41Å; E431-E435 PolarHBondContact O-N 3.02Å
432E96.5Very high93.2Very high98 Ų9855 Ų5546%0.45833%0.326SS..Hα-helixtrans-63.4-40.1179-172.8-172.8167.100111.5N430 D434 E435 W436 L523N430-E432 PolarHBondContact O-N 3.36Å; N430-E432 PolarHBondContact OD1-N 3.25Å; E432-D434 VanDerWaalsContact C-N 3.32Å; E432-D434 PolarHBondContact O-N 3.09Å; E432-E435 PolarHBondContact O-N 3.34Å; E432-W436 PolarHBondContact O-N 3.48Å; E432-W436 PolarHBondContact OE1-NE1 3.38Å; E432-W436 VanDerWaalsContact OE1-NE1 3.12Å; E432-L523 HydrophobicContact CB-CD2 3.94Å; E432-L523 HydrophobicContact CG-CD2 3.85Å
433L96.8Very high92.5Very high0 Ų054.7 Ų54.70%032%0.323CS..Hα-helixtrans-63.1-40.4175.9-179.160.9000111.7I425 N430 E431 W436 R437 A520 L523 E524 L527I425-L433 HydrophobicContact CB-CD2 3.81Å; I425-L433 HydrophobicContact CG2-CD2 3.59Å; N430-L433 HydrophobicContact CB-CB 4.12Å; N430-L433 PolarHBondContact O-N 3.15Å; N430-L433 PolarHBondContact OD1-N 3.47Å; E431-L433 VanDerWaalsContact C-N 3.35Å; E431-L433 PolarHBondContact O-N 3.03Å; L433-W436 PolarHBondContact O-N 3.41Å; L433-R437 HydrophobicContact CD1-CG 4.45Å; L433-R437 WeakPolarHBondContact O-CB 3.47Å; L433-R437 VanDerWaalsContact O-CG 3.31Å; L433-R437 WeakPolarHBondContact O-CG 3.48Å; L433-R437 PolarHBondContact O-N 3.42Å; L433-A520 HydrophobicContact CD1-CB 4.07Å; L433-A520 WeakPolarHBondContact CD1-O 3.46Å; L433-L523 HydrophobicContact CB-CD2 3.9Å; L433-L523 HydrophobicContact CB-CG 4.47Å; L433-E524 HydrophobicContact CD1-CB 4.27Å; L433-E524 HydrophobicContact CD2-CB 4.46Å; L433-L527 HydrophobicContact CB-CD1 4.38Å; L433-L527 HydrophobicContact CD2-CD1 4.01Å
434D95.8Very high91.8Very high43 Ų4357.9 Ų57.923%0.2333%0.334CS..Hα-helixtrans-66.4-39177.6-70.8-29.4000111.7S427 G428 N430 E431 E432 R437 A438S427-D434 WeakPolarHBondContact CA-OD1 3.47Å; G428-D434 WeakPolarHBondContact CA-OD2 3.37Å; G428-D434 PolarHBondContact N-OD2 2.83Å; N430-D434 PolarHBondContact O-N 2.56Å; E431-D434 PolarHBondContact O-N 3.04Å; E432-D434 VanDerWaalsContact C-N 3.32Å; E432-D434 PolarHBondContact O-N 3.09Å; D434-R437 PolarHBondContact O-N 3.24Å; D434-A438 WeakPolarHBondContact O-CB 3.21Å; D434-A438 PolarHBondContact O-N 2.93Å
435E94Very high91.3Very high131 Ų13161.6 Ų61.661%0.61235%0.354SS*.Hα-helixtrans-59-49.8172.6-71-176.4164.200111.5E431 E432 R437 A438 L439E431-E435 WeakPolarHBondContact O-CG 3.41Å; E431-E435 PolarHBondContact O-N 3.02Å; E432-E435 PolarHBondContact O-N 3.34Å; E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 3.31Å; E435-A438 PolarHBondContact O-N 2.88Å; E435-L439 WeakPolarHBondContact O-CD1 3.4Å; E435-L439 PolarHBondContact O-N 3.13Å; E435-L439 VanDerWaalsContact O-N 3.16Å
436W93.5Very high90.9Very high67 Ų6763.5 Ų63.525%0.25436%0.362SS..Hα-helixtrans-63.3-32.9178-70.6122.2000113.1E432 L433 L439 A440 S516 K519 A520E432-W436 PolarHBondContact O-N 3.48Å; E432-W436 PolarHBondContact OE1-NE1 3.38Å; E432-W436 VanDerWaalsContact OE1-NE1 3.12Å; L433-W436 PolarHBondContact O-N 3.41Å; W436-L439 HydrophobicContact CE3-CD1 3.85Å; W436-L439 HydrophobicContact CZ3-CD1 4.2Å; W436-A440 PolarHBondContact O-N 3.09Å; W436-S516 PolarHBondContact O-OG 2.88Å; W436-K519 HydrophobicContact CD2-CB 3.92Å; W436-K519 HydrophobicContact CE3-CB 4.26Å; W436-K519 HydrophobicContact CG-CB 4.33Å; W436-K519 HydrophobicContact CH2-CG 4.31Å; W436-K519 HydrophobicContact CZ2-CB 4.19Å; W436-K519 HydrophobicContact CZ2-CG 4.21Å; W436-A520 HydrophobicContact CB-CB 3.87Å
437R91.7Very high90.5Very high45 Ų4564.1 Ų64.117%0.1736%0.362CS..Hα-helixtrans-72.3-43.9175.2-76.9173173.6178-5.2111.9I425 L433 D434 E435 L439 A440 D441 E524I425-R437 VanDerWaalsContact O-CZ 3.26Å; I425-R437 PolarHBondContact O-NH1 2.94Å; I425-R437 PolarHBondContact O-NH2 3.19Å; L433-R437 HydrophobicContact CD1-CG 4.45Å; L433-R437 WeakPolarHBondContact O-CB 3.47Å; L433-R437 VanDerWaalsContact O-CG 3.31Å; L433-R437 WeakPolarHBondContact O-CG 3.48Å; L433-R437 PolarHBondContact O-N 3.42Å; D434-R437 PolarHBondContact O-N 3.24Å; E435-R437 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 3.31Å; R437-L439 PolarHBondContact O-N 3.1Å; R437-A440 CarbonylContact O-C 3.54Å; R437-A440 WeakPolarHBondContact O-CA 3.46Å; R437-A440 WeakPolarHBondContact O-CB 3.27Å; R437-A440 PolarHBondContact O-N 3.24Å; R437-D441 PolarHBondContact O-N 3.47Å; R437-E524 IonicContact NH2-OE1 3.2Å; R437-E524 PolarHBondContact NH2-OE1 3.24Å; R437-E524 IonicContact NH2-OE2 3.66Å
438A90Very high90.3Very high64 Ų6465.7 Ų65.753%0.52936%0.359SS..Hα-helixtrans-58.3-37.8177.300000112.2D434 E435 A440 D441 G442D434-A438 WeakPolarHBondContact O-CB 3.21Å; D434-A438 PolarHBondContact O-N 2.93Å; E435-A438 PolarHBondContact O-N 2.88Å; A438-A440 VanDerWaalsContact C-N 3.3Å; A438-A440 PolarHBondContact O-N 2.92Å; A438-D441 PolarHBondContact O-N 2.94Å; A438-G442 PolarHBondContact O-N 2.85Å
439L85.1Confident90.1Very high58 Ų5869.4 Ų69.430%0.30435%0.352SS..Hα-helixtrans-60.6-36.7172-83149.9000113.1E435 W436 R437 K512 S516E435-L439 WeakPolarHBondContact O-CD1 3.4Å; E435-L439 PolarHBondContact O-N 3.13Å; E435-L439 VanDerWaalsContact O-N 3.16Å; W436-L439 HydrophobicContact CE3-CD1 3.85Å; W436-L439 HydrophobicContact CZ3-CD1 4.2Å; R437-L439 PolarHBondContact O-N 3.1Å; L439-K512 HydrophobicContact CD2-CD 4.42Å; L439-S516 WeakPolarHBondContact CB-OG 3.46Å
440A80.7Confident90Very high16 Ų1667.4 Ų67.413%0.13234%0.344CS..Hα-helixtrans-80.7-36.4178.600000112.7W436 R437 A438 A443 K517W436-A440 PolarHBondContact O-N 3.09Å; R437-A440 CarbonylContact O-C 3.54Å; R437-A440 WeakPolarHBondContact O-CA 3.46Å; R437-A440 WeakPolarHBondContact O-CB 3.27Å; R437-A440 PolarHBondContact O-N 3.24Å; A438-A440 VanDerWaalsContact C-N 3.3Å; A438-A440 PolarHBondContact O-N 2.92Å; A440-A443 WeakPolarHBondContact O-CB 3.43Å; A440-A443 PolarHBondContact O-N 3.34Å; A440-K517 HydrophobicContact CB-CG 3.97Å
441D81.6Confident89.8Confident119 Ų11967.5 Ų67.564%0.63634%0.344SS*.Hα-helixtrans-71.7-33.9177.9-75.8-18.4000111.9R437 A438 A443 T444R437-D441 PolarHBondContact O-N 3.47Å; A438-D441 PolarHBondContact O-N 2.94Å; D441-A443 PolarHBondContact O-N 3.13Å; D441-T444 PolarHBondContact O-N 3.47Å; D441-T444 PolarHBondContact O-OG1 2.85Å
442G80Confident89.8Confident33 Ų3362.2 Ų62.234%0.3432%0.322SS..Hα-helixtrans-59.5-9.8170.300000114.3A438 Y446A438-G442 PolarHBondContact O-N 2.85Å; G442-Y446 VanDerWaalsContact O-CB 3.29Å; G442-Y446 WeakPolarHBondContact O-CB 3.07Å; G442-Y446 PolarHBondContact O-N 2.87Å
443A78.6Confident89.7Confident4 Ų462.7 Ų62.73%0.03332%0.32CS..Hα-helixtrans-68.7-40.2177.400000114.4A440 D441 D445 L447 Y509 V513A440-A443 WeakPolarHBondContact O-CB 3.43Å; A440-A443 PolarHBondContact O-N 3.34Å; D441-A443 PolarHBondContact O-N 3.13Å; A443-D445 PolarHBondContact O-N 3.36Å; A443-L447 HydrophobicContact CB-CD1 4.37Å; A443-L447 VanDerWaalsContact O-CB 3.23Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 WeakPolarHBondContact O-CD1 3.48Å; A443-L447 WeakPolarHBondContact O-CG 3.19Å; A443-L447 PolarHBondContact O-N 2.79Å; A443-Y509 WeakPolarHBondContact CA-OH 3.46Å; A443-Y509 HydrophobicContact CB-CE1 3.77Å; A443-Y509 WeakPolarHBondContact CB-OH 3.33Å; A443-Y509 PolarHBondContact N-OH 3.24Å; A443-Y509 VanDerWaalsContact N-OH 3.11Å; A443-V513 HydrophobicContact CB-CG1 4.36Å; A443-V513 HydrophobicContact CB-CG2 4.01Å
444T81.3Confident89.7Confident106 Ų10663.3 Ų63.365%0.6532%0.323SS*.Hα-helixtrans-63-48.118048.50000110.3D441 L447 E448D441-T444 PolarHBondContact O-N 3.47Å; D441-T444 PolarHBondContact O-OG1 2.85Å; T444-L447 PolarHBondContact O-N 2.69Å; T444-E448 WeakPolarHBondContact O-CB 3.31Å; T444-E448 PolarHBondContact O-N 3.29Å
445D87.2Confident89.7Confident77 Ų7764.5 Ų64.541%0.41232%0.324SS..Hα-helixtrans-67.1-39.8179.9-179.746.9000113A443 R449A443-D445 PolarHBondContact O-N 3.36Å; D445-R449 WeakPolarHBondContact O-CG 3.35Å; D445-R449 PolarHBondContact O-N 2.9Å; D445-R449 VanDerWaalsContact O-N 3.15Å; D445-R449 PolarHBondContact O-NE 3.32Å; D445-R449 IonicContact OD1-NE 2.87Å; D445-R449 IonicContact OD2-CZ 2.84Å; D445-R449 VanDerWaalsContact OD2-CZ 3.27Å; D445-R449 IonicContact OD2-NE 3.4Å; D445-R449 PolarHBondContact OD2-NE 3.21Å; D445-R449 IonicContact OD2-NH2 3.78Å; D445-R449 PolarHBondContact OD2-NH2 3.36Å
446Y89.8Confident89.8Confident41 Ų4165.5 Ų65.516%0.16133%0.329CS..Hα-helixtrans-64.3-44.6174.2172.7-95.5000112.3G442 R449 L450 E505 Y509G442-Y446 VanDerWaalsContact O-CB 3.29Å; G442-Y446 WeakPolarHBondContact O-CB 3.07Å; G442-Y446 PolarHBondContact O-N 2.87Å; Y446-R449 PolarHBondContact O-N 2.97Å; Y446-L450 HydrophobicContact CE1-CD2 4.16Å; Y446-L450 WeakPolarHBondContact O-CB 3.35Å; Y446-L450 PolarHBondContact O-N 2.82Å; Y446-E505 VanDerWaalsContact OH-CG 3.3Å; Y446-E505 WeakPolarHBondContact OH-CG 3.41Å; Y446-E505 PolarHBondContact OH-OE1 3.17Å; Y446-Y509 AromaticContact CD1-CD1 3.48Å; Y446-Y509 HydrophobicContact CD1-CD1 3.48Å; Y446-Y509 VanDerWaalsContact CD1-CD1 3.48Å; Y446-Y509 AromaticContact CD1-CD2 3.45Å; Y446-Y509 HydrophobicContact CD1-CD2 3.45Å; Y446-Y509 VanDerWaalsContact CD1-CD2 3.45Å; Y446-Y509 AromaticContact CD1-CE1 3.52Å; Y446-Y509 HydrophobicContact CD1-CE1 3.52Å; Y446-Y509 AromaticContact CD1-CE2 3.53Å; Y446-Y509 HydrophobicContact CD1-CE2 3.53Å; Y446-Y509 AromaticContact CD1-CG 3.48Å; Y446-Y509 HydrophobicContact CD1-CG 3.48Å; Y446-Y509 VanDerWaalsContact CD1-CG 3.48Å; Y446-Y509 AromaticContact CD1-CZ 3.61Å; Y446-Y509 HydrophobicContact CD2-CD2 4.31Å; Y446-Y509 HydrophobicContact CD2-CE2 4.26Å; Y446-Y509 AromaticContact CE1-CD1 3.6Å; Y446-Y509 HydrophobicContact CE1-CD1 3.6Å; Y446-Y509 AromaticContact CE1-CD2 3.44Å; Y446-Y509 HydrophobicContact CE1-CD2 3.44Å; Y446-Y509 VanDerWaalsContact CE1-CD2 3.44Å; Y446-Y509 HydrophobicContact CE1-CE1 4.14Å; Y446-Y509 HydrophobicContact CE1-CE2 4.03Å; Y446-Y509 AromaticContact CE1-CG 3.25Å; Y446-Y509 HydrophobicContact CE1-CG 3.25Å; Y446-Y509 HydrophobicContact CE2-CD2 4.3Å; Y446-Y509 AromaticContact CG-CD2 3.9Å; Y446-Y509 HydrophobicContact CG-CD2 3.9Å; Y446-Y509 HydrophobicContact CG-CE1 4.27Å; Y446-Y509 AromaticContact CG-CE2 3.65Å; Y446-Y509 HydrophobicContact CG-CE2 3.65Å; Y446-Y509 HydrophobicContact CG-CG 4.37Å; Y446-Y509 AromaticContact CG-CZ 3.91Å; Y446-Y509 AromaticContact CZ-CD2 3.87Å
447L91Very high89.9Confident27 Ų2768.3 Ų68.314%0.14134%0.339CS..Hα-helixtrans-68.1-36.8-177.2-66.7165.3000111.6A443 T444 L450 E451 V465 Y473 L506 Y509A443-L447 HydrophobicContact CB-CD1 4.37Å; A443-L447 VanDerWaalsContact O-CB 3.23Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 WeakPolarHBondContact O-CD1 3.48Å; A443-L447 WeakPolarHBondContact O-CG 3.19Å; A443-L447 PolarHBondContact O-N 2.79Å; T444-L447 PolarHBondContact O-N 2.69Å; L447-L450 PolarHBondContact O-N 3.06Å; L447-E451 WeakPolarHBondContact O-CB 3.13Å; L447-E451 PolarHBondContact O-N 2.83Å; L447-V465 HydrophobicContact CB-CG1 4.28Å; L447-V465 HydrophobicContact CD2-CG1 3.64Å; L447-V465 HydrophobicContact CG-CG1 4.5Å; L447-Y473 HydrophobicContact CD1-CD1 4.01Å; L447-Y473 HydrophobicContact CD1-CE1 3.33Å; L447-Y473 HydrophobicContact CD2-CD1 3.89Å; L447-Y473 HydrophobicContact CD2-CE1 4.01Å; L447-Y473 HydrophobicContact CG-CE1 4.32Å; L447-L506 HydrophobicContact CD2-CD1 3.67Å; L447-Y509 HydrophobicContact CD2-CD1 4.27Å; L447-Y509 HydrophobicContact CD2-CE1 4.41Å; L447-Y509 HydrophobicContact CG-CE1 4.36Å
448E91.5Very high90Very high129 Ų12967.6 Ų67.660%0.60334%0.34SS*.Hα-helixtrans-64.4-46.3174.5-174.6170.8-171.500111.2T444 L450 E451 V452T444-E448 WeakPolarHBondContact O-CB 3.31Å; T444-E448 PolarHBondContact O-N 3.29Å; E448-L450 PolarHBondContact O-N 3.26Å; E448-E451 WeakPolarHBondContact O-CB 3.48Å; E448-E451 PolarHBondContact O-N 3.48Å; E448-V452 WeakPolarHBondContact O-CG2 3.45Å; E448-V452 PolarHBondContact O-N 3.42Å
449R94Very high90.2Very high147 Ų14767.6 Ų67.656%0.55535%0.347SS*.Hα-helixtrans-62.5-41175.2-73.5-175.6-76.5157.9-7.9112.5D445 Y446 R453D445-R449 WeakPolarHBondContact O-CG 3.35Å; D445-R449 PolarHBondContact O-N 2.9Å; D445-R449 VanDerWaalsContact O-N 3.15Å; D445-R449 PolarHBondContact O-NE 3.32Å; D445-R449 IonicContact OD1-NE 2.87Å; D445-R449 IonicContact OD2-CZ 2.84Å; D445-R449 VanDerWaalsContact OD2-CZ 3.27Å; D445-R449 IonicContact OD2-NE 3.4Å; D445-R449 PolarHBondContact OD2-NE 3.21Å; D445-R449 IonicContact OD2-NH2 3.78Å; D445-R449 PolarHBondContact OD2-NH2 3.36Å; Y446-R449 PolarHBondContact O-N 2.97Å; R449-R453 WeakPolarHBondContact O-CB 3.28Å; R449-R453 PolarHBondContact O-N 2.92Å
450L94.6Very high90.7Very high1 Ų165.1 Ų65.11%0.00533%0.334CS..Hα-helixtrans-62.7-43.2174.9175.366.7000111.2Y446 L447 E448 R453 E454 V465 I503 L506Y446-L450 HydrophobicContact CE1-CD2 4.16Å; Y446-L450 WeakPolarHBondContact O-CB 3.35Å; Y446-L450 PolarHBondContact O-N 2.82Å; L447-L450 PolarHBondContact O-N 3.06Å; E448-L450 PolarHBondContact O-N 3.26Å; L450-R453 PolarHBondContact O-N 2.87Å; L450-E454 HydrophobicContact CD1-CG 3.73Å; L450-E454 HydrophobicContact CG-CG 4.38Å; L450-E454 WeakPolarHBondContact O-CB 3.24Å; L450-E454 WeakPolarHBondContact O-CG 3.43Å; L450-E454 PolarHBondContact O-N 3.21Å; L450-V465 HydrophobicContact CD2-CG2 4.35Å; L450-V465 HydrophobicContact CG-CG2 4.32Å; L450-I503 HydrophobicContact CD1-CD1 4.22Å; L450-L506 HydrophobicContact CD2-CB 4.15Å; L450-L506 HydrophobicContact CD2-CD1 3.73Å; L450-L506 HydrophobicContact CD2-CD2 4.24Å; L450-L506 HydrophobicContact CD2-CG 4.25Å
451E95.6Very high91.3Very high43 Ų4369.7 Ų69.720%0.20136%0.356CS..Hα-helixtrans-60.6-49.4178.7-177.4175.5117.500111.6L447 E448 R455 L463 K464 V465L447-E451 WeakPolarHBondContact O-CB 3.13Å; L447-E451 PolarHBondContact O-N 2.83Å; E448-E451 WeakPolarHBondContact O-CB 3.48Å; E448-E451 PolarHBondContact O-N 3.48Å; E451-R455 VanDerWaalsContact CG-NH2 3.27Å; E451-R455 WeakPolarHBondContact O-CB 3.22Å; E451-R455 PolarHBondContact O-N 2.86Å; E451-R455 IonicContact OE1-CZ 3.55Å; E451-R455 IonicContact OE1-NH1 2.7Å; E451-R455 IonicContact OE1-NH2 3.45Å; E451-R455 PolarHBondContact OE1-NH2 3.03Å; E451-L463 HydrophobicContact CG-CD2 4.35Å; E451-K464 WeakPolarHBondContact OE2-CA 3.48Å; E451-V465 HydrophobicContact CB-CB 4.14Å; E451-V465 HydrophobicContact CB-CG2 3.67Å; E451-V465 HydrophobicContact CG-CG2 4.22Å; E451-V465 PolarHBondContact OE2-N 2.85Å
452V95.6Very high91.9Very high57 Ų5766.3 Ų66.335%0.34534%0.339SS..Hα-helixtrans-63.2-49.3178.3175.30000110.7E448 E454 R455 E456E448-V452 WeakPolarHBondContact O-CG2 3.45Å; E448-V452 PolarHBondContact O-N 3.42Å; V452-E454 PolarHBondContact O-N 2.68Å; V452-R455 PolarHBondContact O-N 2.86Å; V452-E456 HydrophobicContact CG1-CG 4.4Å; V452-E456 WeakPolarHBondContact O-CG 3.3Å; V452-E456 PolarHBondContact O-N 2.88Å
453R96.3Very high92.7Very high109 Ų10964.7 Ų64.741%0.41132%0.323SS..Hα-helixtrans-57.3-47.3179.8-179177.766.4-167.50.3112.2R449 L450 R457 E505R449-R453 WeakPolarHBondContact O-CB 3.28Å; R449-R453 PolarHBondContact O-N 2.92Å; L450-R453 PolarHBondContact O-N 2.87Å; R453-R457 WeakPolarHBondContact O-CB 3.34Å; R453-R457 PolarHBondContact O-N 3.29Å; R453-E505 IonicContact CZ-OE1 3.45Å; R453-E505 IonicContact CZ-OE2 3.68Å; R453-E505 IonicContact NH1-OE1 3.41Å; R453-E505 PolarHBondContact NH1-OE1 3.2Å; R453-E505 IonicContact NH2-OE1 3.51Å; R453-E505 PolarHBondContact NH2-OE1 2.94Å; R453-E505 IonicContact NH2-OE2 2.79Å; R453-E505 PolarHBondContact NH2-OE2 3.48Å
454E96Very high93.5Very high12 Ų1270.5 Ų70.56%0.05635%0.347CS..Hα-helixtrans-73.6-33-179-69.6-60.495.100112.2L450 V452 R457 T458 L463 I475 Y489L450-E454 HydrophobicContact CD1-CG 3.73Å; L450-E454 HydrophobicContact CG-CG 4.38Å; L450-E454 WeakPolarHBondContact O-CB 3.24Å; L450-E454 WeakPolarHBondContact O-CG 3.43Å; L450-E454 PolarHBondContact O-N 3.21Å; V452-E454 PolarHBondContact O-N 2.68Å; E454-R457 IonicContact OE1-CZ 3.51Å; E454-R457 IonicContact OE1-NE 3.47Å; E454-R457 PolarHBondContact OE1-NE 3.22Å; E454-R457 IonicContact OE1-NH2 3.65Å; E454-R457 IonicContact OE2-CZ 2.69Å; E454-R457 IonicContact OE2-NE 3.85Å; E454-R457 PolarHBondContact OE2-NE 2.92Å; E454-R457 IonicContact OE2-NH2 3.25Å; E454-R457 PolarHBondContact OE2-NH2 3.25Å; E454-T458 WeakPolarHBondContact O-CB 3.17Å; E454-T458 VanDerWaalsContact O-CG2 3.29Å; E454-T458 WeakPolarHBondContact O-CG2 3.32Å; E454-T458 PolarHBondContact O-N 2.84Å; E454-T458 PolarHBondContact O-OG1 2.93Å; E454-L463 HydrophobicContact CB-CD1 3.95Å; E454-L463 HydrophobicContact CB-CD2 4.06Å; E454-I475 HydrophobicContact CG-CD1 4.48Å; E454-Y489 PolarHBondContact OE2-OH 2.88Å
455R95.2Very high94.2Very high68 Ų6866.5 Ų66.526%0.25732%0.323SS..Hα-helixtrans-62.4-48.2173.1-176.6-175.2-63.3126.30.2111.3E451 V452 G459 L460 L463E451-R455 VanDerWaalsContact CG-NH2 3.27Å; E451-R455 WeakPolarHBondContact O-CB 3.22Å; E451-R455 PolarHBondContact O-N 2.86Å; E451-R455 IonicContact OE1-CZ 3.55Å; E451-R455 IonicContact OE1-NH1 2.7Å; E451-R455 IonicContact OE1-NH2 3.45Å; E451-R455 PolarHBondContact OE1-NH2 3.03Å; V452-R455 PolarHBondContact O-N 2.86Å; R455-G459 WeakPolarHBondContact O-CA 3.41Å; R455-G459 PolarHBondContact O-N 2.92Å; R455-L460 PolarHBondContact O-N 3.18Å; R455-L463 HydrophobicContact CB-CB 4.38Å; R455-L463 HydrophobicContact CB-CD2 4.49Å; R455-L463 PolarHBondContact NE-O 3.11Å; R455-L463 PolarHBondContact NH2-O 3.24Å
456E95.8Very high94.5Very high152 Ų15263.7 Ų63.771%0.7131%0.312SS*.Hα-helixtrans-66-44.6177.9-70.8180167.600111.8V452 T458 G459V452-E456 HydrophobicContact CG1-CG 4.4Å; V452-E456 WeakPolarHBondContact O-CG 3.3Å; V452-E456 PolarHBondContact O-N 2.88Å; E456-T458 VanDerWaalsContact C-N 3.34Å; E456-T458 PolarHBondContact O-N 2.81Å; E456-G459 PolarHBondContact O-N 3.42Å
457R95.9Very high94.6Very high126 Ų12666.4 Ų66.448%0.47533%0.325SS..Hα-helixtrans-63-37.8-179.8-172.8-175.17274.60.5113.1R453 E454 Y489R453-R457 WeakPolarHBondContact O-CB 3.34Å; R453-R457 PolarHBondContact O-N 3.29Å; E454-R457 IonicContact OE1-CZ 3.51Å; E454-R457 IonicContact OE1-NE 3.47Å; E454-R457 PolarHBondContact OE1-NE 3.22Å; E454-R457 IonicContact OE1-NH2 3.65Å; E454-R457 IonicContact OE2-CZ 2.69Å; E454-R457 IonicContact OE2-NE 3.85Å; E454-R457 PolarHBondContact OE2-NE 2.92Å; E454-R457 IonicContact OE2-NH2 3.25Å; E454-R457 PolarHBondContact OE2-NH2 3.25Å; R457-Y489 PolarHBondContact NH2-OH 3.08Å
458T94.6Very high94.7Very high31 Ų3167.4 Ų67.419%0.1933%0.331CS..Hα-helixtrans-92-18.3-176.960.50000113.4E454 E456 L460 P486E454-T458 WeakPolarHBondContact O-CB 3.17Å; E454-T458 VanDerWaalsContact O-CG2 3.29Å; E454-T458 WeakPolarHBondContact O-CG2 3.32Å; E454-T458 PolarHBondContact O-N 2.84Å; E454-T458 PolarHBondContact O-OG1 2.93Å; E456-T458 VanDerWaalsContact C-N 3.34Å; E456-T458 PolarHBondContact O-N 2.81Å; T458-L460 PolarHBondContact O-N 2.92Å; T458-L460 PolarHBondContact OG1-N 3.02Å; T458-P486 HydrophobicContact CG2-CG 3.57Å
459G94.6Very high94.5Very high64 Ų6465.8 Ų65.866%0.6634%0.339SS*.THydrogen-bonded Turntrans67.917-172.300000113.6R455 E456R455-G459 WeakPolarHBondContact O-CA 3.41Å; R455-G459 PolarHBondContact O-N 2.92Å; E456-G459 PolarHBondContact O-N 3.42Å
460L94.6Very high94.2Very high6 Ų664.6 Ų64.63%0.03135%0.348CS..  trans-100.896-177.1-56-178.8000110.2R455 T458 T462 L463 I477 Q481 L484R455-L460 PolarHBondContact O-N 3.18Å; T458-L460 PolarHBondContact O-N 2.92Å; T458-L460 PolarHBondContact OG1-N 3.02Å; L460-T462 PolarHBondContact O-N 3.39Å; L460-L463 HydrophobicContact CB-CB 4.47Å; L460-L463 WeakPolarHBondContact O-CB 3.38Å; L460-L463 PolarHBondContact O-N 2.88Å; L460-I477 HydrophobicContact CD1-CD1 3.77Å; L460-I477 HydrophobicContact CD1-CG1 4.37Å; L460-I477 HydrophobicContact CD1-CG2 4.1Å; L460-Q481 HydrophobicContact CD2-CB 4.2Å; L460-Q481 HydrophobicContact CD2-CG 4.41Å; L460-L484 HydrophobicContact CD1-CB 4.45Å; L460-L484 HydrophobicContact CD2-CB 3.84Å; L460-L484 HydrophobicContact CD2-CD1 3.92Å
461D94.1Very high94Very high112 Ų11267.6 Ų67.660%0.59936%0.362SS*.THydrogen-bonded Turntrans-58.9-27.4-17866.9-14.6000114.2L463 Q481D461-L463 PolarHBondContact O-N 2.91Å; D461-Q481 PolarHBondContact OD1-NE2 3.29Å; D461-Q481 PolarHBondContact OD1-OE1 2.99Å
462T94Very high93.8Very high47 Ų4766 Ų6629%0.28836%0.356SS..THydrogen-bonded Turntrans-78.3-2178.1700000114.3L460 K464 S478 Q481L460-T462 PolarHBondContact O-N 3.39Å; T462-K464 PolarHBondContact O-N 2.99Å; T462-S478 WeakPolarHBondContact CG2-OG 3.48Å; T462-S478 VanDerWaalsContact OG1-CB 3.3Å; T462-S478 WeakPolarHBondContact OG1-CB 3.3Å; T462-S478 PolarHBondContact OG1-N 3.03Å; T462-S478 PolarHBondContact OG1-OG 2.73Å; T462-Q481 PolarHBondContact OG1-OE1 3.45Å
463L96.6Very high93.8Very high0 Ų064 Ų640%034%0.343CS..  trans-66125.6-179.2-168.7151.9000111.1E451 E454 R455 L460 D461 I475 Q476 I477 Y489E451-L463 HydrophobicContact CG-CD2 4.35Å; E454-L463 HydrophobicContact CB-CD1 3.95Å; E454-L463 HydrophobicContact CB-CD2 4.06Å; R455-L463 HydrophobicContact CB-CB 4.38Å; R455-L463 HydrophobicContact CB-CD2 4.49Å; R455-L463 PolarHBondContact NE-O 3.11Å; R455-L463 PolarHBondContact NH2-O 3.24Å; L460-L463 HydrophobicContact CB-CB 4.47Å; L460-L463 WeakPolarHBondContact O-CB 3.38Å; L460-L463 PolarHBondContact O-N 2.88Å; D461-L463 PolarHBondContact O-N 2.91Å; L463-I475 HydrophobicContact CD1-CG2 3.68Å; L463-I475 HydrophobicContact CD2-CG2 3.81Å; L463-I475 HydrophobicContact CG-CG2 3.54Å; L463-Q476 VanDerWaalsContact CA-O 3.29Å; L463-Q476 WeakPolarHBondContact CA-O 3.34Å; L463-I477 HydrophobicContact CD1-CG1 4.46Å; L463-I477 HydrophobicContact CG-CG1 4.47Å; L463-Y489 HydrophobicContact CD1-CE2 4.37Å
464K95.7Very high93.8Very high125 Ų12560 Ų6054%0.54333%0.328SS..EExtended strand (participates in β ladder)trans-135.9145172.6-63.5-168.4178-168.90111.5E451 T462 I475 Q476E451-K464 WeakPolarHBondContact OE2-CA 3.48Å; T462-K464 PolarHBondContact O-N 2.99Å; K464-I475 CarbonylContact O-C 3.52Å; K464-I475 WeakPolarHBondContact O-CA 3.29Å; K464-Q476 PolarHBondContact N-O 2.98Å; K464-Q476 PolarHBondContact O-N 3.15Å
465V95.6Very high93.9Very high22 Ų2259.4 Ų59.413%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-97.2133.4171.1-178.40000108.2L447 L450 E451 Y474 I475 L506L447-V465 HydrophobicContact CB-CG1 4.28Å; L447-V465 HydrophobicContact CD2-CG1 3.64Å; L447-V465 HydrophobicContact CG-CG1 4.5Å; L450-V465 HydrophobicContact CD2-CG2 4.35Å; L450-V465 HydrophobicContact CG-CG2 4.32Å; E451-V465 HydrophobicContact CB-CB 4.14Å; E451-V465 HydrophobicContact CB-CG2 3.67Å; E451-V465 HydrophobicContact CG-CG2 4.22Å; E451-V465 PolarHBondContact OE2-N 2.85Å; V465-Y474 WeakPolarHBondContact CA-O 3.28Å; V465-I475 HydrophobicContact CG2-CG1 4.35Å; V465-L506 HydrophobicContact CG1-CD2 4.39Å
466G93.8Very high94Very high19 Ų1958.4 Ų58.420%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-148173.6-178.400000112.7Y473 Y474G466-Y473 CarbonylContact O-C 3.57Å; G466-Y473 VanDerWaalsContact O-CA 3.25Å; G466-Y473 WeakPolarHBondContact O-CA 3.14Å; G466-Y474 PolarHBondContact N-O 2.91Å; G466-Y474 PolarHBondContact O-N 2.73Å
467F92.2Very high94Very high98 Ų9851.2 Ų51.243%0.4329%0.29SS..EExtended strand (participates in β ladder)trans-123.5146.8176.3178.5-100.4000110.5Y473 Y474 L514F467-Y473 HydrophobicContact CB-CD1 3.95Å; F467-Y473 HydrophobicContact CB-CE1 3.88Å; F467-Y473 HydrophobicContact CD2-CD1 4.06Å; F467-Y473 AromaticContact CD2-CD2 3.83Å; F467-Y473 HydrophobicContact CD2-CD2 3.83Å; F467-Y473 HydrophobicContact CD2-CE1 4.02Å; F467-Y473 AromaticContact CD2-CE2 3.82Å; F467-Y473 HydrophobicContact CD2-CE2 3.82Å; F467-Y473 AromaticContact CD2-CG 3.97Å; F467-Y473 HydrophobicContact CD2-CG 3.97Å; F467-Y473 AromaticContact CD2-CZ 3.93Å; F467-Y473 HydrophobicContact CE2-CD2 4.35Å; F467-Y473 HydrophobicContact CE2-CE2 4.24Å; F467-Y473 HydrophobicContact CG-CD1 4.49Å; F467-Y473 HydrophobicContact CG-CE1 4.31Å; F467-Y474 VanDerWaalsContact C-CE1 3.45Å; F467-Y474 PolarHBondContact O-OH 2.72Å; F467-L514 HydrophobicContact CE2-CD2 4.25Å; F467-L514 HydrophobicContact CZ-CD2 4.47Å
468N92.3Very high94.1Very high48 Ų4846.8 Ų46.826%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-138.5135.2170.3175.5-89.5000108.5V470 H471 G472 Y474N468-V470 PolarHBondContact O-N 2.92Å; N468-V470 VanDerWaalsContact O-N 3.16Å; N468-V470 WeakPolarHBondContact OD1-CA 3.41Å; N468-V470 WeakPolarHBondContact OD1-CB 3.44Å; N468-V470 PolarHBondContact OD1-N 3.49Å; N468-H471 PolarHBondContact O-N 2.87Å; N468-H471 PolarHBondContact OD1-N 3.44Å; N468-H471 VanDerWaalsContact OD1-N 3.08Å; N468-G472 PolarHBondContact N-O 2.68Å; N468-G472 VanDerWaalsContact O-CA 3.29Å; N468-G472 WeakPolarHBondContact O-CA 3.36Å; N468-G472 PolarHBondContact O-N 3.34Å; N468-Y474 HydrophobicContact CB-CD1 4.37Å; N468-Y474 HydrophobicContact CB-CE1 3.75Å
469A87.3Confident94Very high94 Ų9450.5 Ų50.578%0.77729%0.289SS*.THydrogen-bonded Turntrans-60.2-29.5-175.900000114.1
470V88.1Confident94Very high123 Ų12350.2 Ų50.275%0.74529%0.286SS*.THydrogen-bonded Turntrans-86-41.5-179-176.40000111.5N468N468-V470 PolarHBondContact O-N 2.92Å; N468-V470 VanDerWaalsContact O-N 3.16Å; N468-V470 WeakPolarHBondContact OD1-CA 3.41Å; N468-V470 WeakPolarHBondContact OD1-CB 3.44Å; N468-V470 PolarHBondContact OD1-N 3.49Å
471H90.2Very high94Very high64 Ų6452 Ų5230%0.29629%0.294SS..THydrogen-bonded Turntrans-105.8-0.8-172.9-63.1-71.9000114.4N468 R492 Q493N468-H471 PolarHBondContact O-N 2.87Å; N468-H471 PolarHBondContact OD1-N 3.44Å; N468-H471 VanDerWaalsContact OD1-N 3.08Å; H471-R492 VanDerWaalsContact O-CD 3.31Å; H471-R492 WeakPolarHBondContact O-CD 3.18Å; H471-R492 PolarHBondContact O-NE 3.28Å; H471-R492 PolarHBondContact O-NH1 3.37Å; H471-R492 PolarHBondContact O-NH2 2.96Å; H471-Q493 PolarHBondContact CD2-NE2 3.12Å; H471-Q493 PolarHBondContact CD2-OE1 3.12Å; H471-Q493 PolarHBondContact NE2-NE2 3.3Å
472G92.2Very high94Very high8 Ų847.7 Ų47.78%0.08227%0.273CS..EExtended strand (participates in β ladder)trans72.4-156.1-176.600000114N468 Y474 E510N468-G472 PolarHBondContact N-O 2.68Å; N468-G472 VanDerWaalsContact O-CA 3.29Å; N468-G472 WeakPolarHBondContact O-CA 3.36Å; N468-G472 PolarHBondContact O-N 3.34Å; G472-Y474 WeakPolarHBondContact O-CD1 3.35Å; G472-E510 WeakPolarHBondContact CA-OE2 3.29Å
473Y94.5Very high94Very high15 Ų1552.4 Ų52.46%0.05929%0.291CS..EExtended strand (participates in β ladder)trans-71.6149.6175.2-71.8-80.6000111.7L447 G466 F467 R492 L506 E510L447-Y473 HydrophobicContact CD1-CD1 4.01Å; L447-Y473 HydrophobicContact CD1-CE1 3.33Å; L447-Y473 HydrophobicContact CD2-CD1 3.89Å; L447-Y473 HydrophobicContact CD2-CE1 4.01Å; L447-Y473 HydrophobicContact CG-CE1 4.32Å; G466-Y473 CarbonylContact O-C 3.57Å; G466-Y473 VanDerWaalsContact O-CA 3.25Å; G466-Y473 WeakPolarHBondContact O-CA 3.14Å; F467-Y473 HydrophobicContact CB-CD1 3.95Å; F467-Y473 HydrophobicContact CB-CE1 3.88Å; F467-Y473 HydrophobicContact CD2-CD1 4.06Å; F467-Y473 AromaticContact CD2-CD2 3.83Å; F467-Y473 HydrophobicContact CD2-CD2 3.83Å; F467-Y473 HydrophobicContact CD2-CE1 4.02Å; F467-Y473 AromaticContact CD2-CE2 3.82Å; F467-Y473 HydrophobicContact CD2-CE2 3.82Å; F467-Y473 AromaticContact CD2-CG 3.97Å; F467-Y473 HydrophobicContact CD2-CG 3.97Å; F467-Y473 AromaticContact CD2-CZ 3.93Å; F467-Y473 HydrophobicContact CE2-CD2 4.35Å; F467-Y473 HydrophobicContact CE2-CE2 4.24Å; F467-Y473 HydrophobicContact CG-CD1 4.49Å; F467-Y473 HydrophobicContact CG-CE1 4.31Å; Y473-R492 PolarHBondContact O-NH1 2.98Å; Y473-L506 HydrophobicContact CG-CD1 4.4Å; Y473-E510 HydrophobicContact CD2-CB 3.72Å; Y473-E510 HydrophobicContact CD2-CG 3.85Å; Y473-E510 PolarHBondContact N-OE2 3.35Å
474Y96.6Very high94Very high25 Ų2557.1 Ų57.110%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-153.8157.4178.854.8-96.1000112.4V465 G466 F467 N468 G472 Q476 R500 Y501V465-Y474 WeakPolarHBondContact CA-O 3.28Å; G466-Y474 PolarHBondContact N-O 2.91Å; G466-Y474 PolarHBondContact O-N 2.73Å; F467-Y474 VanDerWaalsContact C-CE1 3.45Å; F467-Y474 PolarHBondContact O-OH 2.72Å; N468-Y474 HydrophobicContact CB-CD1 4.37Å; N468-Y474 HydrophobicContact CB-CE1 3.75Å; G472-Y474 WeakPolarHBondContact O-CD1 3.35Å; Y474-Q476 HydrophobicContact CD2-CB 3.95Å; Y474-Q476 HydrophobicContact CE2-CB 3.98Å; Y474-R500 HydrophobicContact CD2-CB 4.14Å; Y474-R500 HydrophobicContact CD2-CG 3.57Å; Y474-R500 HydrophobicContact CE2-CG 4.06Å; Y474-R500 HydrophobicContact CG-CB 4.09Å; Y474-R500 HydrophobicContact CG-CG 3.93Å; Y474-R500 PolarHBondContact OH-NH2 2.86Å; Y474-Y501 CarbonylContact C-O 3.55Å; Y474-Y501 VanDerWaalsContact CA-O 3.22Å; Y474-Y501 WeakPolarHBondContact CA-O 3.46Å; Y474-Y501 WeakPolarHBondContact CB-O 3.31Å
475I97.4Very high93.9Very high0 Ų052.1 Ų52.10%030%0.298CS..EExtended strand (participates in β ladder)trans-99.4118164-58.2173.9000107.6E454 L463 K464 V465 Y489 R500 Y501 I503 L506E454-I475 HydrophobicContact CG-CD1 4.48Å; L463-I475 HydrophobicContact CD1-CG2 3.68Å; L463-I475 HydrophobicContact CD2-CG2 3.81Å; L463-I475 HydrophobicContact CG-CG2 3.54Å; K464-I475 CarbonylContact O-C 3.52Å; K464-I475 WeakPolarHBondContact O-CA 3.29Å; V465-I475 HydrophobicContact CG2-CG1 4.35Å; I475-Y489 HydrophobicContact CB-CE2 4.32Å; I475-Y489 HydrophobicContact CD1-CE1 4.48Å; I475-Y489 HydrophobicContact CD1-CE2 4.05Å; I475-Y489 HydrophobicContact CG2-CE2 3.78Å; I475-R500 CarbonylContact O-C 3.56Å; I475-R500 WeakPolarHBondContact O-CA 3.13Å; I475-Y501 PolarHBondContact N-O 2.95Å; I475-Y501 PolarHBondContact O-N 3.14Å; I475-I503 HydrophobicContact CD1-CD1 3.87Å; I475-I503 HydrophobicContact CD1-CG1 4.01Å; I475-I503 HydrophobicContact CD1-CG2 4.17Å; I475-L506 HydrophobicContact CG1-CD2 3.92Å
476Q97.6Very high93.9Very high48 Ų4852.4 Ų52.422%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-100.1130.7-179.7-172.2175.9-80.900110.4L463 K464 Y474 A498 E499 R500L463-Q476 VanDerWaalsContact CA-O 3.29Å; L463-Q476 WeakPolarHBondContact CA-O 3.34Å; K464-Q476 PolarHBondContact N-O 2.98Å; K464-Q476 PolarHBondContact O-N 3.15Å; Y474-Q476 HydrophobicContact CD2-CB 3.95Å; Y474-Q476 HydrophobicContact CE2-CB 3.98Å; Q476-A498 HydrophobicContact CG-CB 3.74Å; Q476-E499 WeakPolarHBondContact CA-O 3.49Å; Q476-R500 HydrophobicContact CB-CG 4.08Å; Q476-R500 HydrophobicContact CG-CG 4.01Å
477I97Very high93.9Very high0 Ų060.2 Ų60.20%034%0.336CS..EExtended strand (participates in β ladder)trans-124141.5173.5-60.7167.6000107.9L460 L463 Q481 A485 Y489 A498 E499 Y501L460-I477 HydrophobicContact CD1-CD1 3.77Å; L460-I477 HydrophobicContact CD1-CG1 4.37Å; L460-I477 HydrophobicContact CD1-CG2 4.1Å; L463-I477 HydrophobicContact CD1-CG1 4.46Å; L463-I477 HydrophobicContact CG-CG1 4.47Å; I477-Q481 HydrophobicContact CG2-CB 3.63Å; I477-A485 HydrophobicContact CD1-CB 3.66Å; I477-Y489 HydrophobicContact CD1-CD2 4.11Å; I477-Y489 HydrophobicContact CD1-CE2 3.96Å; I477-A498 CarbonylContact O-C 3.46Å; I477-A498 VanDerWaalsContact O-CA 3.27Å; I477-A498 WeakPolarHBondContact O-CA 3.49Å; I477-A498 WeakPolarHBondContact O-CB 3.48Å; I477-E499 PolarHBondContact N-O 3.45Å; I477-E499 PolarHBondContact O-N 3.02Å; I477-Y501 HydrophobicContact CB-CE2 4.26Å; I477-Y501 HydrophobicContact CD1-CD2 4.1Å; I477-Y501 HydrophobicContact CD1-CE2 3.91Å; I477-Y501 HydrophobicContact CG1-CD2 4.48Å; I477-Y501 HydrophobicContact CG1-CE2 4.34Å
478S96.5Very high93.9Very high33 Ų3359.6 Ų59.623%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-59.2150.4175.4690000111.5T462 G480 Q481 S482T462-S478 WeakPolarHBondContact CG2-OG 3.48Å; T462-S478 VanDerWaalsContact OG1-CB 3.3Å; T462-S478 WeakPolarHBondContact OG1-CB 3.3Å; T462-S478 PolarHBondContact OG1-N 3.03Å; T462-S478 PolarHBondContact OG1-OG 2.73Å; S478-G480 PolarHBondContact O-N 3.19Å; S478-Q481 CarbonylContact O-C 3.51Å; S478-Q481 PolarHBondContact O-N 3.23Å; S478-Q481 PolarHBondContact OG-N 3.36Å; S478-S482 WeakPolarHBondContact O-CB 3.3Å; S478-S482 PolarHBondContact O-N 2.75Å
479R93.9Very high94.1Very high109 Ų10957.9 Ų57.941%0.41133%0.327SS..THydrogen-bonded Turntrans-57.2-37.7179.9178.1161.2-77.2-173-13.9112.3Q481 S482 L495 K496 N497 E499R479-Q481 VanDerWaalsContact C-N 3.27Å; R479-Q481 PolarHBondContact O-N 2.87Å; R479-S482 PolarHBondContact O-N 3.1Å; R479-S482 PolarHBondContact O-OG 3.41Å; R479-L495 VanDerWaalsContact CZ-O 3.25Å; R479-L495 PolarHBondContact NH2-O 3.37Å; R479-K496 PolarHBondContact NE-O 3.45Å; R479-K496 PolarHBondContact NH1-O 3.24Å; R479-N497 PolarHBondContact N-O 3.37Å; R479-E499 IonicContact CZ-OE1 3.89Å; R479-E499 IonicContact NE-OE1 2.71Å; R479-E499 IonicContact NH2-OE1 3.44Å; R479-E499 PolarHBondContact NH2-OE1 3.19Å
480G94.2Very high94.5Very high59 Ų5958 Ų5861%0.60831%0.313SS*.THydrogen-bonded Turntrans-61.4-31.8176.500000113.8S478 H483S478-G480 PolarHBondContact O-N 3.19Å; G480-H483 PolarHBondContact O-CE1 3.37Å; G480-H483 PolarHBondContact O-ND1 3.33Å
481Q94.7Very high94.9Very high42 Ų4261 Ų6120%0.19631%0.31CS..THydrogen-bonded Turntrans-101.6-9.1179.5-73177-7.500113.7L460 D461 T462 I477 S478 R479 H483 L484L460-Q481 HydrophobicContact CD2-CB 4.2Å; L460-Q481 HydrophobicContact CD2-CG 4.41Å; D461-Q481 PolarHBondContact OD1-NE2 3.29Å; D461-Q481 PolarHBondContact OD1-OE1 2.99Å; T462-Q481 PolarHBondContact OG1-OE1 3.45Å; I477-Q481 HydrophobicContact CG2-CB 3.63Å; S478-Q481 CarbonylContact O-C 3.51Å; S478-Q481 PolarHBondContact O-N 3.23Å; S478-Q481 PolarHBondContact OG-N 3.36Å; R479-Q481 VanDerWaalsContact C-N 3.27Å; R479-Q481 PolarHBondContact O-N 2.87Å; Q481-H483 PolarHBondContact O-N 3.06Å; Q481-H483 VanDerWaalsContact O-N 3.11Å; Q481-L484 WeakPolarHBondContact O-CB 3.35Å; Q481-L484 PolarHBondContact O-N 3.09Å
482S94.3Very high95Very high23 Ų2361.1 Ų61.116%0.16131%0.308CS..G310 helixtrans-59.4-27.7-173.464.10000114.3S478 R479 L484 A485 Y501S478-S482 WeakPolarHBondContact O-CB 3.3Å; S478-S482 PolarHBondContact O-N 2.75Å; R479-S482 PolarHBondContact O-N 3.1Å; R479-S482 PolarHBondContact O-OG 3.41Å; S482-L484 PolarHBondContact O-N 3.02Å; S482-A485 WeakPolarHBondContact O-CB 3.46Å; S482-A485 PolarHBondContact O-N 3.44Å; S482-Y501 PolarHBondContact O-OH 2.78Å
483H94Very high95.1Very high145 Ų14562.6 Ų62.667%0.67131%0.313SS*.G310 helixtrans-71.3-15.8175.570-81.1000113.7G480 Q481G480-H483 PolarHBondContact O-CE1 3.37Å; G480-H483 PolarHBondContact O-ND1 3.33Å; Q481-H483 PolarHBondContact O-N 3.06Å; Q481-H483 VanDerWaalsContact O-N 3.11Å
484L95.3Very high95.1Very high100 Ų10065.5 Ų65.552%0.52433%0.332SS..G310 helixtrans-93.7-1.5174.8-55.4174.2000112.1L460 Q481 S482L460-L484 HydrophobicContact CD1-CB 4.45Å; L460-L484 HydrophobicContact CD2-CB 3.84Å; L460-L484 HydrophobicContact CD2-CD1 3.92Å; Q481-L484 WeakPolarHBondContact O-CB 3.35Å; Q481-L484 PolarHBondContact O-N 3.09Å; S482-L484 PolarHBondContact O-N 3.02Å
485A94.9Very high95.1Very high19 Ų1967 Ų6716%0.15734%0.342CS..SBendtrans-60.5136.3178.900000110I477 S482 Y501I477-A485 HydrophobicContact CD1-CB 3.66Å; S482-A485 WeakPolarHBondContact O-CB 3.46Å; S482-A485 PolarHBondContact O-N 3.44Å; A485-Y501 HydrophobicContact CB-CE1 4.33Å; A485-Y501 HydrophobicContact CB-CE2 4.07Å
486P94.8Very high94.9Very high28 Ų2875.1 Ų75.118%0.18238%0.377CS..  trans-54.2142.4176.7-28.936.9000112.6T458 N488 Y489T458-P486 HydrophobicContact CG2-CG 3.57Å; P486-N488 WeakPolarHBondContact CB-OD1 3.4Å; P486-N488 PolarHBondContact O-N 3.26Å; P486-N488 VanDerWaalsContact O-N 3.07Å; P486-Y489 HydrophobicContact CB-CD1 3.95Å; P486-Y489 HydrophobicContact CB-CE1 4.13Å; P486-Y489 HydrophobicContact CB-CG 4.47Å; P486-Y489 HydrophobicContact CG-CD1 4.2Å; P486-Y489 HydrophobicContact CG-CE1 3.95Å; P486-Y489 VanDerWaalsContact O-CB 3.31Å; P486-Y489 WeakPolarHBondContact O-CB 3.48Å; P486-Y489 PolarHBondContact O-N 3.29Å
487I93.2Very high94.8Very high183 Ų18378.7 Ų78.794%0.93840%0.398SS*.THydrogen-bonded Turntrans-61.7-20-179.959.9173.4000113.8Y489I487-Y489 VanDerWaalsContact C-N 3.25Å; I487-Y489 PolarHBondContact O-N 3.31Å
488N93.6Very high94.8Very high85 Ų8579.1 Ų79.146%0.45540%0.401SS..THydrogen-bonded Turntrans-79.3-4.6176.267.6-55.5000113.4P486 M490P486-N488 WeakPolarHBondContact CB-OD1 3.4Å; P486-N488 PolarHBondContact O-N 3.26Å; P486-N488 VanDerWaalsContact O-N 3.07Å; N488-M490 PolarHBondContact O-N 2.81Å
489Y96.3Very high94.7Very high12 Ų1278.6 Ų78.65%0.04740%0.395CS..  trans-82.3111.5175.3-80.127.9000109.7E454 R457 L463 I475 I477 P486 I487 R491 Y501 I503E454-Y489 PolarHBondContact OE2-OH 2.88Å; R457-Y489 PolarHBondContact NH2-OH 3.08Å; L463-Y489 HydrophobicContact CD1-CE2 4.37Å; I475-Y489 HydrophobicContact CB-CE2 4.32Å; I475-Y489 HydrophobicContact CD1-CE1 4.48Å; I475-Y489 HydrophobicContact CD1-CE2 4.05Å; I475-Y489 HydrophobicContact CG2-CE2 3.78Å; I477-Y489 HydrophobicContact CD1-CD2 4.11Å; I477-Y489 HydrophobicContact CD1-CE2 3.96Å; P486-Y489 HydrophobicContact CB-CD1 3.95Å; P486-Y489 HydrophobicContact CB-CE1 4.13Å; P486-Y489 HydrophobicContact CB-CG 4.47Å; P486-Y489 HydrophobicContact CG-CD1 4.2Å; P486-Y489 HydrophobicContact CG-CE1 3.95Å; P486-Y489 VanDerWaalsContact O-CB 3.31Å; P486-Y489 WeakPolarHBondContact O-CB 3.48Å; P486-Y489 PolarHBondContact O-N 3.29Å; I487-Y489 VanDerWaalsContact C-N 3.25Å; I487-Y489 PolarHBondContact O-N 3.31Å; Y489-R491 PolarHBondContact O-N 2.94Å; Y489-Y501 HydrophobicContact CD2-CD2 4.06Å; Y489-Y501 AromaticContact CD2-CG 3.89Å; Y489-Y501 HydrophobicContact CD2-CG 3.89Å; Y489-Y501 HydrophobicContact CG-CG 4.35Å; Y489-I503 HydrophobicContact CD1-CG2 3.45Å; Y489-I503 VanDerWaalsContact CD1-CG2 3.45Å; Y489-I503 HydrophobicContact CE1-CG2 3.69Å; Y489-I503 HydrophobicContact CG-CG2 4.12Å
490M95.1Very high94.9Very high97 Ų9774.8 Ų74.848%0.47838%0.381SS..EExtended strand (participates in β ladder)trans-80118.9178.4-63.1178.4-74.100109.2N488 R492 Y501 I502 P504N488-M490 PolarHBondContact O-N 2.81Å; M490-R492 PolarHBondContact O-N 2.8Å; M490-Y501 CarbonylContact O-C 3.53Å; M490-Y501 VanDerWaalsContact O-CA 3.24Å; M490-Y501 WeakPolarHBondContact O-CA 3.3Å; M490-I502 HydrophobicContact CB-CG2 3.92Å; M490-I502 WeakPolarHBondContact CB-O 3.33Å; M490-I502 HydrophobicContact CE-CG2 4.3Å; M490-I502 PolarHBondContact N-O 3.22Å; M490-I502 PolarHBondContact O-N 2.84Å; M490-P504 HydrophobicContact CE-CG 4.09Å
491R95.7Very high95.1Very high185 Ų18573 Ų7370%0.69836%0.356SS*.EExtended strand (participates in β ladder)trans-64.2127.8-178.5-171.5177.965.6-136.7-1111Y489 Y501Y489-R491 PolarHBondContact O-N 2.94Å; R491-Y501 HydrophobicContact CB-CD1 4.17Å; R491-Y501 HydrophobicContact CB-CE1 4.2Å; R491-Y501 HydrophobicContact CG-CE1 4.43Å
492R93.6Very high95.2Very high68 Ų6871.8 Ų71.826%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-113.2-40.3-176.3-161.2173.6-160.5174.4-7.4113.8H471 Y473 M490 R500 I502 E510H471-R492 VanDerWaalsContact O-CD 3.31Å; H471-R492 WeakPolarHBondContact O-CD 3.18Å; H471-R492 PolarHBondContact O-NE 3.28Å; H471-R492 PolarHBondContact O-NH1 3.37Å; H471-R492 PolarHBondContact O-NH2 2.96Å; Y473-R492 PolarHBondContact O-NH1 2.98Å; M490-R492 PolarHBondContact O-N 2.8Å; R492-R500 PolarHBondContact N-O 2.81Å; R492-I502 HydrophobicContact CB-CG2 4.36Å; R492-E510 IonicContact CZ-OE1 3.94Å; R492-E510 IonicContact CZ-OE2 3.67Å; R492-E510 IonicContact NH1-OE1 3.8Å; R492-E510 PolarHBondContact NH1-OE1 3.2Å; R492-E510 IonicContact NH1-OE2 2.64Å; R492-E510 PolarHBondContact NH1-OE2 3.22Å; R492-E510 IonicContact NH2-OE1 2.85Å; R492-E510 PolarHBondContact NH2-OE1 2.83Å; R492-E510 IonicContact NH2-OE2 2.75Å; R492-E510 PolarHBondContact NH2-OE2 2.83Å
493Q94.9Very high95.3Very high38 Ų3871.1 Ų71.118%0.17835%0.345CS..EExtended strand (participates in β ladder)trans-151.7137.5179.7-176.1-174.326.300110.9H471 L495 R500H471-Q493 PolarHBondContact CD2-NE2 3.12Å; H471-Q493 PolarHBondContact CD2-OE1 3.12Å; H471-Q493 PolarHBondContact NE2-NE2 3.3Å; Q493-L495 HydrophobicContact CG-CD2 4.33Å; Q493-R500 HydrophobicContact CB-CB 4.08Å; Q493-R500 PolarHBondContact N-O 2.94Å; Q493-R500 VanDerWaalsContact N-O 3.14Å; Q493-R500 WeakPolarHBondContact O-CA 3.25Å; Q493-R500 WeakPolarHBondContact O-CB 3.42Å; Q493-R500 PolarHBondContact O-N 3.48Å; Q493-R500 VanDerWaalsContact OE1-CD 3.24Å
494T94.4Very high95.3Very high76 Ų7668.4 Ų68.447%0.46634%0.34SS..EExtended strand (participates in β ladder)trans-106.3129.8176.3-66.50000110.4E499T494-E499 WeakPolarHBondContact CA-OE2 3.31Å; T494-E499 VanDerWaalsContact CB-OE2 3.26Å; T494-E499 WeakPolarHBondContact CB-OE2 3.2Å; T494-E499 VanDerWaalsContact CG2-OE1 3.22Å; T494-E499 WeakPolarHBondContact CG2-OE1 3.34Å; T494-E499 WeakPolarHBondContact CG2-OE2 3.31Å; T494-E499 PolarHBondContact OG1-OE2 2.92Å
495L94.9Very high95.3Very high56 Ų5667.1 Ų67.129%0.29333%0.332SS..  trans-119.5165.4177.4-60.2176.8000110.8R479 Q493 N497 A498R479-L495 VanDerWaalsContact CZ-O 3.25Å; R479-L495 PolarHBondContact NH2-O 3.37Å; Q493-L495 HydrophobicContact CG-CD2 4.33Å; L495-N497 PolarHBondContact O-N 3.32Å; L495-N497 VanDerWaalsContact O-N 3.16Å; L495-A498 CarbonylContact C-O 3.54Å; L495-A498 WeakPolarHBondContact CA-O 3.49Å; L495-A498 HydrophobicContact CB-CB 4.47Å; L495-A498 WeakPolarHBondContact CB-O 3.36Å; L495-A498 PolarHBondContact N-O 3.18Å; L495-A498 VanDerWaalsContact O-O 3.07Å
496K94.3Very high95.3Very high172 Ų17266.2 Ų66.275%0.74832%0.324SS*.SBendtrans-55.3-35.9-178.3-172.4178.1178.11800113.9R479R479-K496 PolarHBondContact NE-O 3.45Å; R479-K496 PolarHBondContact NH1-O 3.24Å
497N95.6Very high95.2Very high123 Ų12368.3 Ų68.366%0.65833%0.33SS*.SBendtrans-125.37.1-174.7-64.2-26.7000113.7R479 L495R479-N497 PolarHBondContact N-O 3.37Å; L495-N497 PolarHBondContact O-N 3.32Å; L495-N497 VanDerWaalsContact O-N 3.16Å
498A96.1Very high95.2Very high9 Ų966.7 Ų66.77%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-153.7154.1-176.500000111.5Q476 I477 L495Q476-A498 HydrophobicContact CG-CB 3.74Å; I477-A498 CarbonylContact O-C 3.46Å; I477-A498 VanDerWaalsContact O-CA 3.27Å; I477-A498 WeakPolarHBondContact O-CA 3.49Å; I477-A498 WeakPolarHBondContact O-CB 3.48Å; L495-A498 CarbonylContact C-O 3.54Å; L495-A498 WeakPolarHBondContact CA-O 3.49Å; L495-A498 HydrophobicContact CB-CB 4.47Å; L495-A498 WeakPolarHBondContact CB-O 3.36Å; L495-A498 PolarHBondContact N-O 3.18Å; L495-A498 VanDerWaalsContact O-O 3.07Å
499E95.7Very high95Very high21 Ų2164.2 Ų64.210%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-114.6137.1169.2-62.8-60.8150.100108.7Q476 I477 R479 T494 Y501Q476-E499 WeakPolarHBondContact CA-O 3.49Å; I477-E499 PolarHBondContact N-O 3.45Å; I477-E499 PolarHBondContact O-N 3.02Å; R479-E499 IonicContact CZ-OE1 3.89Å; R479-E499 IonicContact NE-OE1 2.71Å; R479-E499 IonicContact NH2-OE1 3.44Å; R479-E499 PolarHBondContact NH2-OE1 3.19Å; T494-E499 WeakPolarHBondContact CA-OE2 3.31Å; T494-E499 VanDerWaalsContact CB-OE2 3.26Å; T494-E499 WeakPolarHBondContact CB-OE2 3.2Å; T494-E499 VanDerWaalsContact CG2-OE1 3.22Å; T494-E499 WeakPolarHBondContact CG2-OE1 3.34Å; T494-E499 WeakPolarHBondContact CG2-OE2 3.31Å; T494-E499 PolarHBondContact OG1-OE2 2.92Å; E499-Y501 HydrophobicContact CB-CE2 3.6Å; E499-Y501 WeakPolarHBondContact CB-OH 3.49Å
500R97.5Very high94.8Very high30 Ų3063.9 Ų63.911%0.11330%0.302CS..EExtended strand (participates in β ladder)trans-113135179.5-70.6175.5174.1-179-5.2110.4Y474 I475 Q476 R492 Q493Y474-R500 HydrophobicContact CD2-CB 4.14Å; Y474-R500 HydrophobicContact CD2-CG 3.57Å; Y474-R500 HydrophobicContact CE2-CG 4.06Å; Y474-R500 HydrophobicContact CG-CB 4.09Å; Y474-R500 HydrophobicContact CG-CG 3.93Å; Y474-R500 PolarHBondContact OH-NH2 2.86Å; I475-R500 CarbonylContact O-C 3.56Å; I475-R500 WeakPolarHBondContact O-CA 3.13Å; Q476-R500 HydrophobicContact CB-CG 4.08Å; Q476-R500 HydrophobicContact CG-CG 4.01Å; R492-R500 PolarHBondContact N-O 2.81Å; Q493-R500 HydrophobicContact CB-CB 4.08Å; Q493-R500 PolarHBondContact N-O 2.94Å; Q493-R500 VanDerWaalsContact N-O 3.14Å; Q493-R500 WeakPolarHBondContact O-CA 3.25Å; Q493-R500 WeakPolarHBondContact O-CB 3.42Å; Q493-R500 PolarHBondContact O-N 3.48Å; Q493-R500 VanDerWaalsContact OE1-CD 3.24Å
501Y97.7Very high94.6Very high22 Ų2262.9 Ų62.99%0.08630%0.299CS..EExtended strand (participates in β ladder)trans-126.7164.7-173.7-55.8-89.4000111.6Y474 I475 I477 S482 A485 Y489 M490 R491 E499Y474-Y501 CarbonylContact C-O 3.55Å; Y474-Y501 VanDerWaalsContact CA-O 3.22Å; Y474-Y501 WeakPolarHBondContact CA-O 3.46Å; Y474-Y501 WeakPolarHBondContact CB-O 3.31Å; I475-Y501 PolarHBondContact N-O 2.95Å; I475-Y501 PolarHBondContact O-N 3.14Å; I477-Y501 HydrophobicContact CB-CE2 4.26Å; I477-Y501 HydrophobicContact CD1-CD2 4.1Å; I477-Y501 HydrophobicContact CD1-CE2 3.91Å; I477-Y501 HydrophobicContact CG1-CD2 4.48Å; I477-Y501 HydrophobicContact CG1-CE2 4.34Å; S482-Y501 PolarHBondContact O-OH 2.78Å; A485-Y501 HydrophobicContact CB-CE1 4.33Å; A485-Y501 HydrophobicContact CB-CE2 4.07Å; Y489-Y501 HydrophobicContact CD2-CD2 4.06Å; Y489-Y501 AromaticContact CD2-CG 3.89Å; Y489-Y501 HydrophobicContact CD2-CG 3.89Å; Y489-Y501 HydrophobicContact CG-CG 4.35Å; M490-Y501 CarbonylContact O-C 3.53Å; M490-Y501 VanDerWaalsContact O-CA 3.24Å; M490-Y501 WeakPolarHBondContact O-CA 3.3Å; R491-Y501 HydrophobicContact CB-CD1 4.17Å; R491-Y501 HydrophobicContact CB-CE1 4.2Å; R491-Y501 HydrophobicContact CG-CE1 4.43Å; E499-Y501 HydrophobicContact CB-CE2 3.6Å; E499-Y501 WeakPolarHBondContact CB-OH 3.49Å
502I96.9Very high94.3Very high16 Ų1660 Ų608%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-131.1148.8169.7-16961.1000109.1M490 R492 L506 K507M490-I502 HydrophobicContact CB-CG2 3.92Å; M490-I502 WeakPolarHBondContact CB-O 3.33Å; M490-I502 HydrophobicContact CE-CG2 4.3Å; M490-I502 PolarHBondContact N-O 3.22Å; M490-I502 PolarHBondContact O-N 2.84Å; R492-I502 HydrophobicContact CB-CG2 4.36Å; I502-L506 HydrophobicContact CD1-CB 3.86Å; I502-L506 HydrophobicContact CD1-CD2 3.85Å; I502-L506 HydrophobicContact CD1-CG 3.68Å; I502-K507 HydrophobicContact CD1-CB 4.34Å; I502-K507 HydrophobicContact CG1-CB 4.01Å
503I96.6Very high94.1Very high8 Ų856.8 Ų56.84%0.04128%0.279CS..  trans-123.2154.2173.857.2172000108.5L450 I475 Y489 E505 L506 K507L450-I503 HydrophobicContact CD1-CD1 4.22Å; I475-I503 HydrophobicContact CD1-CD1 3.87Å; I475-I503 HydrophobicContact CD1-CG1 4.01Å; I475-I503 HydrophobicContact CD1-CG2 4.17Å; Y489-I503 HydrophobicContact CD1-CG2 3.45Å; Y489-I503 VanDerWaalsContact CD1-CG2 3.45Å; Y489-I503 HydrophobicContact CE1-CG2 3.69Å; Y489-I503 HydrophobicContact CG-CG2 4.12Å; I503-E505 VanDerWaalsContact C-N 3.25Å; I503-E505 HydrophobicContact CD1-CB 4.27Å; I503-E505 HydrophobicContact CG1-CB 4.48Å; I503-E505 PolarHBondContact O-N 3.24Å; I503-L506 HydrophobicContact CD1-CB 4.41Å; I503-L506 HydrophobicContact CG1-CB 3.66Å; I503-L506 PolarHBondContact O-N 2.85Å; I503-L506 VanDerWaalsContact O-N 3.12Å; I503-K507 PolarHBondContact O-N 3.42Å
504P95.1Very high93.8Very high88 Ų8858.4 Ų58.457%0.57129%0.289SS*.Hα-helixtrans-53-41.8-178.3-28.136.5000113.4M490 L506 K507 E508M490-P504 HydrophobicContact CE-CG 4.09Å; P504-L506 PolarHBondContact O-N 2.89Å; P504-K507 PolarHBondContact O-N 2.95Å; P504-K507 VanDerWaalsContact O-N 3.15Å; P504-E508 PolarHBondContact O-N 3.05Å
505E95.1Very high93.7Very high73 Ų7358.7 Ų58.734%0.34129%0.291SS..Hα-helixtrans-60.2-45178.5-164.5-164.817800112.5Y446 R453 I503 K507 Y509Y446-E505 VanDerWaalsContact OH-CG 3.3Å; Y446-E505 WeakPolarHBondContact OH-CG 3.41Å; Y446-E505 PolarHBondContact OH-OE1 3.17Å; R453-E505 IonicContact CZ-OE1 3.45Å; R453-E505 IonicContact CZ-OE2 3.68Å; R453-E505 IonicContact NH1-OE1 3.41Å; R453-E505 PolarHBondContact NH1-OE1 3.2Å; R453-E505 IonicContact NH2-OE1 3.51Å; R453-E505 PolarHBondContact NH2-OE1 2.94Å; R453-E505 IonicContact NH2-OE2 2.79Å; R453-E505 PolarHBondContact NH2-OE2 3.48Å; I503-E505 VanDerWaalsContact C-N 3.25Å; I503-E505 HydrophobicContact CD1-CB 4.27Å; I503-E505 HydrophobicContact CG1-CB 4.48Å; I503-E505 PolarHBondContact O-N 3.24Å; E505-K507 VanDerWaalsContact C-N 3.33Å; E505-Y509 WeakPolarHBondContact O-CB 3.4Å; E505-Y509 PolarHBondContact O-N 2.96Å; E505-Y509 VanDerWaalsContact O-N 3.09Å
506L94.1Very high93.5Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-72.8-28177.6-177.557.8000111.7L447 L450 V465 Y473 I475 I502 I503 P504 E510L447-L506 HydrophobicContact CD2-CD1 3.67Å; L450-L506 HydrophobicContact CD2-CB 4.15Å; L450-L506 HydrophobicContact CD2-CD1 3.73Å; L450-L506 HydrophobicContact CD2-CD2 4.24Å; L450-L506 HydrophobicContact CD2-CG 4.25Å; V465-L506 HydrophobicContact CG1-CD2 4.39Å; Y473-L506 HydrophobicContact CG-CD1 4.4Å; I475-L506 HydrophobicContact CG1-CD2 3.92Å; I502-L506 HydrophobicContact CD1-CB 3.86Å; I502-L506 HydrophobicContact CD1-CD2 3.85Å; I502-L506 HydrophobicContact CD1-CG 3.68Å; I503-L506 HydrophobicContact CD1-CB 4.41Å; I503-L506 HydrophobicContact CG1-CB 3.66Å; I503-L506 PolarHBondContact O-N 2.85Å; I503-L506 VanDerWaalsContact O-N 3.12Å; P504-L506 PolarHBondContact O-N 2.89Å; L506-E510 WeakPolarHBondContact O-CB 3.48Å; L506-E510 PolarHBondContact O-N 3.19Å
507K93.1Very high93.3Very high73 Ų7352.8 Ų52.832%0.31726%0.263SS..Hα-helixtrans-71.3-44.4175.3-178.853.7-177.5151.10111.8I502 I503 P504 E505 Y509 E510 D511I502-K507 HydrophobicContact CD1-CB 4.34Å; I502-K507 HydrophobicContact CG1-CB 4.01Å; I503-K507 PolarHBondContact O-N 3.42Å; P504-K507 PolarHBondContact O-N 2.95Å; P504-K507 VanDerWaalsContact O-N 3.15Å; E505-K507 VanDerWaalsContact C-N 3.33Å; K507-Y509 VanDerWaalsContact C-N 3.26Å; K507-Y509 PolarHBondContact O-N 3.25Å; K507-E510 IonicContact NZ-OE1 3.61Å; K507-E510 PolarHBondContact NZ-OE1 3.02Å; K507-E510 WeakPolarHBondContact O-CB 3.5Å; K507-E510 PolarHBondContact O-N 3.47Å; K507-D511 WeakPolarHBondContact CE-OD1 3.21Å; K507-D511 WeakPolarHBondContact CE-OD2 3.43Å; K507-D511 IonicContact NZ-OD1 2.72Å; K507-D511 PolarHBondContact NZ-OD1 3.24Å; K507-D511 IonicContact NZ-OD2 3.56Å; K507-D511 PolarHBondContact NZ-OD2 3.09Å; K507-D511 PolarHBondContact O-N 3.4Å
508E92.4Very high93.2Very high149 Ų14949 Ų4970%0.69625%0.253SS*.Hα-helixtrans-58.6-43172.8-174.5-177.8165.800110.8P504 D511 K512P504-E508 PolarHBondContact O-N 3.05Å; E508-D511 PolarHBondContact O-N 3.38Å; E508-K512 WeakPolarHBondContact O-CB 3.35Å; E508-K512 PolarHBondContact O-N 3.45Å
509Y90.2Very high93.1Very high32 Ų3254.2 Ų54.213%0.12527%0.274CS..Hα-helixtrans-62.7-45.2175.7-165.1-97.9000112.9A443 Y446 L447 E505 K507 D511 K512 V513A443-Y509 WeakPolarHBondContact CA-OH 3.46Å; A443-Y509 HydrophobicContact CB-CE1 3.77Å; A443-Y509 WeakPolarHBondContact CB-OH 3.33Å; A443-Y509 PolarHBondContact N-OH 3.24Å; A443-Y509 VanDerWaalsContact N-OH 3.11Å; Y446-Y509 AromaticContact CD1-CD1 3.48Å; Y446-Y509 HydrophobicContact CD1-CD1 3.48Å; Y446-Y509 VanDerWaalsContact CD1-CD1 3.48Å; Y446-Y509 AromaticContact CD1-CD2 3.45Å; Y446-Y509 HydrophobicContact CD1-CD2 3.45Å; Y446-Y509 VanDerWaalsContact CD1-CD2 3.45Å; Y446-Y509 AromaticContact CD1-CE1 3.52Å; Y446-Y509 HydrophobicContact CD1-CE1 3.52Å; Y446-Y509 AromaticContact CD1-CE2 3.53Å; Y446-Y509 HydrophobicContact CD1-CE2 3.53Å; Y446-Y509 AromaticContact CD1-CG 3.48Å; Y446-Y509 HydrophobicContact CD1-CG 3.48Å; Y446-Y509 VanDerWaalsContact CD1-CG 3.48Å; Y446-Y509 AromaticContact CD1-CZ 3.61Å; Y446-Y509 HydrophobicContact CD2-CD2 4.31Å; Y446-Y509 HydrophobicContact CD2-CE2 4.26Å; Y446-Y509 AromaticContact CE1-CD1 3.6Å; Y446-Y509 HydrophobicContact CE1-CD1 3.6Å; Y446-Y509 AromaticContact CE1-CD2 3.44Å; Y446-Y509 HydrophobicContact CE1-CD2 3.44Å; Y446-Y509 VanDerWaalsContact CE1-CD2 3.44Å; Y446-Y509 HydrophobicContact CE1-CE1 4.14Å; Y446-Y509 HydrophobicContact CE1-CE2 4.03Å; Y446-Y509 AromaticContact CE1-CG 3.25Å; Y446-Y509 HydrophobicContact CE1-CG 3.25Å; Y446-Y509 HydrophobicContact CE2-CD2 4.3Å; Y446-Y509 AromaticContact CG-CD2 3.9Å; Y446-Y509 HydrophobicContact CG-CD2 3.9Å; Y446-Y509 HydrophobicContact CG-CE1 4.27Å; Y446-Y509 AromaticContact CG-CE2 3.65Å; Y446-Y509 HydrophobicContact CG-CE2 3.65Å; Y446-Y509 HydrophobicContact CG-CG 4.37Å; Y446-Y509 AromaticContact CG-CZ 3.91Å; Y446-Y509 AromaticContact CZ-CD2 3.87Å; L447-Y509 HydrophobicContact CD2-CD1 4.27Å; L447-Y509 HydrophobicContact CD2-CE1 4.41Å; L447-Y509 HydrophobicContact CG-CE1 4.36Å; E505-Y509 WeakPolarHBondContact O-CB 3.4Å; E505-Y509 PolarHBondContact O-N 2.96Å; E505-Y509 VanDerWaalsContact O-N 3.09Å; K507-Y509 VanDerWaalsContact C-N 3.26Å; K507-Y509 PolarHBondContact O-N 3.25Å; Y509-D511 PolarHBondContact O-N 3.47Å; Y509-K512 PolarHBondContact O-N 3.12Å; Y509-V513 HydrophobicContact CD1-CG2 3.91Å; Y509-V513 HydrophobicContact CE1-CG2 3.3Å; Y509-V513 HydrophobicContact CE2-CG2 4.22Å; Y509-V513 VanDerWaalsContact CZ-CG2 3.41Å; Y509-V513 WeakPolarHBondContact O-CG2 3.27Å; Y509-V513 PolarHBondContact O-N 2.98Å; Y509-V513 WeakPolarHBondContact OH-CG2 3.3Å
510E91.2Very high93.1Very high5 Ų553.7 Ų53.72%0.02327%0.273CS..Hα-helixtrans-55.7-50175171177.9108.200111.7G472 Y473 R492 L506 K507 K512 V513 L514G472-E510 WeakPolarHBondContact CA-OE2 3.29Å; Y473-E510 HydrophobicContact CD2-CB 3.72Å; Y473-E510 HydrophobicContact CD2-CG 3.85Å; Y473-E510 PolarHBondContact N-OE2 3.35Å; R492-E510 IonicContact CZ-OE1 3.94Å; R492-E510 IonicContact CZ-OE2 3.67Å; R492-E510 IonicContact NH1-OE1 3.8Å; R492-E510 PolarHBondContact NH1-OE1 3.2Å; R492-E510 IonicContact NH1-OE2 2.64Å; R492-E510 PolarHBondContact NH1-OE2 3.22Å; R492-E510 IonicContact NH2-OE1 2.85Å; R492-E510 PolarHBondContact NH2-OE1 2.83Å; R492-E510 IonicContact NH2-OE2 2.75Å; R492-E510 PolarHBondContact NH2-OE2 2.83Å; L506-E510 WeakPolarHBondContact O-CB 3.48Å; L506-E510 PolarHBondContact O-N 3.19Å; K507-E510 IonicContact NZ-OE1 3.61Å; K507-E510 PolarHBondContact NZ-OE1 3.02Å; K507-E510 WeakPolarHBondContact O-CB 3.5Å; K507-E510 PolarHBondContact O-N 3.47Å; E510-K512 VanDerWaalsContact C-N 3.32Å; E510-K512 PolarHBondContact O-N 3.01Å; E510-V513 PolarHBondContact O-N 3.37Å; E510-L514 HydrophobicContact CG-CD1 3.68Å; E510-L514 HydrophobicContact CG-CG 4.25Å; E510-L514 WeakPolarHBondContact O-CB 3.49Å; E510-L514 VanDerWaalsContact O-CG 3.29Å; E510-L514 WeakPolarHBondContact O-CG 3.15Å; E510-L514 PolarHBondContact O-N 2.9Å
511D91.3Very high93Very high76 Ų7654.7 Ų54.741%0.40628%0.281SS..Hα-helixtrans-63.5-40.9-177.5-70.2-26.5000111.2K507 E508 Y509 T515K507-D511 WeakPolarHBondContact CE-OD1 3.21Å; K507-D511 WeakPolarHBondContact CE-OD2 3.43Å; K507-D511 IonicContact NZ-OD1 2.72Å; K507-D511 PolarHBondContact NZ-OD1 3.24Å; K507-D511 IonicContact NZ-OD2 3.56Å; K507-D511 PolarHBondContact NZ-OD2 3.09Å; K507-D511 PolarHBondContact O-N 3.4Å; E508-D511 PolarHBondContact O-N 3.38Å; Y509-D511 PolarHBondContact O-N 3.47Å; D511-T515 WeakPolarHBondContact O-CB 3.3Å; D511-T515 PolarHBondContact O-N 2.7Å; D511-T515 PolarHBondContact O-OG1 2.96Å
512K89.3Confident92.9Very high124 Ų12456.4 Ų56.454%0.53930%0.299SS..Hα-helixtrans-63.1-49.1175.8-172.5174.1177.7179.10112L439 E508 Y509 E510 S516L439-K512 HydrophobicContact CD2-CD 4.42Å; E508-K512 WeakPolarHBondContact O-CB 3.35Å; E508-K512 PolarHBondContact O-N 3.45Å; Y509-K512 PolarHBondContact O-N 3.12Å; E510-K512 VanDerWaalsContact C-N 3.32Å; E510-K512 PolarHBondContact O-N 3.01Å; K512-S516 VanDerWaalsContact O-CB 3.26Å; K512-S516 WeakPolarHBondContact O-CB 3.38Å; K512-S516 PolarHBondContact O-N 2.68Å
513V89.9Confident92.9Very high1 Ų156.5 Ų56.51%0.00630%0.3CS..Hα-helixtrans-67.5-44.3-178.4171.50000112A443 Y509 E510 S516 K517A443-V513 HydrophobicContact CB-CG1 4.36Å; A443-V513 HydrophobicContact CB-CG2 4.01Å; Y509-V513 HydrophobicContact CD1-CG2 3.91Å; Y509-V513 HydrophobicContact CE1-CG2 3.3Å; Y509-V513 HydrophobicContact CE2-CG2 4.22Å; Y509-V513 VanDerWaalsContact CZ-CG2 3.41Å; Y509-V513 WeakPolarHBondContact O-CG2 3.27Å; Y509-V513 PolarHBondContact O-N 2.98Å; Y509-V513 WeakPolarHBondContact OH-CG2 3.3Å; E510-V513 PolarHBondContact O-N 3.37Å; V513-S516 WeakPolarHBondContact O-CB 3.39Å; V513-S516 PolarHBondContact O-N 2.95Å; V513-K517 HydrophobicContact CG1-CD 4.22Å; V513-K517 HydrophobicContact CG1-CG 4.43Å; V513-K517 WeakPolarHBondContact O-CB 3.45Å; V513-K517 WeakPolarHBondContact O-CG 3.14Å; V513-K517 PolarHBondContact O-N 3.28Å
514L88.9Confident92.9Very high72 Ų7256.4 Ų56.438%0.37730%0.299SS..Hα-helixtrans-66.2-39.8179.7-68.1-179.6000111.5F467 E510 K517 G518F467-L514 HydrophobicContact CE2-CD2 4.25Å; F467-L514 HydrophobicContact CZ-CD2 4.47Å; E510-L514 HydrophobicContact CG-CD1 3.68Å; E510-L514 HydrophobicContact CG-CG 4.25Å; E510-L514 WeakPolarHBondContact O-CB 3.49Å; E510-L514 VanDerWaalsContact O-CG 3.29Å; E510-L514 WeakPolarHBondContact O-CG 3.15Å; E510-L514 PolarHBondContact O-N 2.9Å; L514-K517 PolarHBondContact O-N 3.36Å; L514-G518 PolarHBondContact O-N 3.19Å
515T90.9Very high93Very high82 Ų8256 Ų5650%0.50329%0.289SS..Hα-helixtrans-62.8-46173.4-57.60000110.9D511 K517 G518 K519D511-T515 WeakPolarHBondContact O-CB 3.3Å; D511-T515 PolarHBondContact O-N 2.7Å; D511-T515 PolarHBondContact O-OG1 2.96Å; T515-K517 PolarHBondContact O-N 2.97Å; T515-G518 PolarHBondContact O-N 3.24Å; T515-K519 HydrophobicContact CG2-CG 4.36Å; T515-K519 WeakPolarHBondContact O-CB 3.48Å; T515-K519 WeakPolarHBondContact O-CG 3.21Å; T515-K519 PolarHBondContact O-N 3.21Å
516S91.4Very high93.1Very high1 Ų158.5 Ų58.51%0.00730%0.3CS..Hα-helixtrans-58.8-47.1177.6-162.30000112W436 L439 K512 V513 G518 K519 A520W436-S516 PolarHBondContact O-OG 2.88Å; L439-S516 WeakPolarHBondContact CB-OG 3.46Å; K512-S516 VanDerWaalsContact O-CB 3.26Å; K512-S516 WeakPolarHBondContact O-CB 3.38Å; K512-S516 PolarHBondContact O-N 2.68Å; V513-S516 WeakPolarHBondContact O-CB 3.39Å; V513-S516 PolarHBondContact O-N 2.95Å; S516-G518 PolarHBondContact O-N 3.16Å; S516-K519 PolarHBondContact O-N 3.42Å; S516-A520 WeakPolarHBondContact O-CB 3.3Å; S516-A520 PolarHBondContact O-N 3.44Å
517K91.2Very high93.3Very high104 Ų10458.8 Ų58.845%0.45230%0.302SS..Hα-helixtrans-62.8-41.2176.7-76-175.1175.8-175.50112.3A440 V513 L514 T515 L521A440-K517 HydrophobicContact CB-CG 3.97Å; V513-K517 HydrophobicContact CG1-CD 4.22Å; V513-K517 HydrophobicContact CG1-CG 4.43Å; V513-K517 WeakPolarHBondContact O-CB 3.45Å; V513-K517 WeakPolarHBondContact O-CG 3.14Å; V513-K517 PolarHBondContact O-N 3.28Å; L514-K517 PolarHBondContact O-N 3.36Å; T515-K517 PolarHBondContact O-N 2.97Å; K517-L521 WeakPolarHBondContact O-CB 3.38Å; K517-L521 PolarHBondContact O-N 2.67Å
518G92.1Very high93.5Very high44 Ų4455.6 Ų55.645%0.45429%0.288SS..Hα-helixtrans-63.4-43.3175.500000112.6L514 T515 S516 A522L514-G518 PolarHBondContact O-N 3.19Å; T515-G518 PolarHBondContact O-N 3.24Å; S516-G518 PolarHBondContact O-N 3.16Å; G518-A522 WeakPolarHBondContact O-CB 3.29Å; G518-A522 PolarHBondContact O-N 3.04Å
519K94.1Very high93.8Very high117 Ų11752.4 Ų52.451%0.50927%0.273SS..Hα-helixtrans-66-47.3176.5-73.4-70.9-174.4174.10112.2W436 T515 S516 L521 A522 L523W436-K519 HydrophobicContact CD2-CB 3.92Å; W436-K519 HydrophobicContact CE3-CB 4.26Å; W436-K519 HydrophobicContact CG-CB 4.33Å; W436-K519 HydrophobicContact CH2-CG 4.31Å; W436-K519 HydrophobicContact CZ2-CB 4.19Å; W436-K519 HydrophobicContact CZ2-CG 4.21Å; T515-K519 HydrophobicContact CG2-CG 4.36Å; T515-K519 WeakPolarHBondContact O-CB 3.48Å; T515-K519 WeakPolarHBondContact O-CG 3.21Å; T515-K519 PolarHBondContact O-N 3.21Å; S516-K519 PolarHBondContact O-N 3.42Å; K519-L521 VanDerWaalsContact C-N 3.32Å; K519-L521 PolarHBondContact O-N 3Å; K519-A522 PolarHBondContact O-N 2.8Å; K519-L523 WeakPolarHBondContact O-CB 3.42Å; K519-L523 PolarHBondContact O-N 2.93Å
520A95.7Very high94.1Very high10 Ų1054.5 Ų54.58%0.08328%0.284CS..Hα-helixtrans-55.4-47.3174.800000111.4L433 W436 S516 L523 E524L433-A520 HydrophobicContact CD1-CB 4.07Å; L433-A520 WeakPolarHBondContact CD1-O 3.46Å; W436-A520 HydrophobicContact CB-CB 3.87Å; S516-A520 WeakPolarHBondContact O-CB 3.3Å; S516-A520 PolarHBondContact O-N 3.44Å; A520-L523 PolarHBondContact O-N 3.22Å; A520-E524 WeakPolarHBondContact O-CB 3.41Å; A520-E524 PolarHBondContact O-N 2.66Å
521L95.1Very high94.5Very high52 Ų5254.3 Ų54.327%0.27228%0.283SS..Hα-helixtrans-67.2-38.1-179.4-176.862.2000112.9R420 K517 K519 K525R420-L521 WeakPolarHBondContact O-CD1 3.41Å; K517-L521 WeakPolarHBondContact O-CB 3.38Å; K517-L521 PolarHBondContact O-N 2.67Å; K519-L521 VanDerWaalsContact C-N 3.32Å; K519-L521 PolarHBondContact O-N 3Å; L521-K525 WeakPolarHBondContact O-CG 3.32Å; L521-K525 PolarHBondContact O-N 3.33Å; L521-K525 VanDerWaalsContact O-N 3.09Å
522A95.4Very high94.8Very high58 Ų5850.8 Ų50.848%0.47926%0.264SS..Hα-helixtrans-65.6-45.5176.200000111.3G518 K519 K525 Q526G518-A522 WeakPolarHBondContact O-CB 3.29Å; G518-A522 PolarHBondContact O-N 3.04Å; K519-A522 PolarHBondContact O-N 2.8Å; A522-K525 PolarHBondContact O-N 2.91Å; A522-Q526 PolarHBondContact O-N 3.14Å
523L97.3Very high95.1Very high17 Ų1749.3 Ų49.39%0.08926%0.262CS..Hα-helixtrans-64.3-42.1176.5-178.758.4000111.6E432 L433 K519 A520 K525 Q526 L527E432-L523 HydrophobicContact CB-CD2 3.94Å; E432-L523 HydrophobicContact CG-CD2 3.85Å; L433-L523 HydrophobicContact CB-CD2 3.9Å; L433-L523 HydrophobicContact CB-CG 4.47Å; K519-L523 WeakPolarHBondContact O-CB 3.42Å; K519-L523 PolarHBondContact O-N 2.93Å; A520-L523 PolarHBondContact O-N 3.22Å; L523-K525 VanDerWaalsContact C-N 3.31Å; L523-K525 PolarHBondContact O-N 3.47Å; L523-Q526 WeakPolarHBondContact O-CB 3.47Å; L523-Q526 PolarHBondContact O-N 2.99Å; L523-Q526 VanDerWaalsContact O-N 3.14Å; L523-L527 HydrophobicContact CD1-CD1 4.32Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 4.04Å; L523-L527 HydrophobicContact CG-CG 4.45Å; L523-L527 WeakPolarHBondContact O-CG 3.43Å; L523-L527 PolarHBondContact O-N 3.19Å
524E97.6Very high95.5Very high7 Ų753.3 Ų53.33%0.03328%0.283CS..Hα-helixtrans-61.1-39.3176.8-175.2163.1-149.100112.2G422 G423 V424 I425 L433 R437 A520 Y528G422-E524 WeakPolarHBondContact CA-OE2 3.46Å; G423-E524 VanDerWaalsContact N-CD 3.35Å; G423-E524 PolarHBondContact N-OE1 3.26Å; G423-E524 PolarHBondContact N-OE2 3.21Å; V424-E524 PolarHBondContact N-OE1 2.7Å; I425-E524 HydrophobicContact CB-CG 4.1Å; I425-E524 HydrophobicContact CG1-CG 3.72Å; I425-E524 PolarHBondContact N-OE1 3.38Å; L433-E524 HydrophobicContact CD1-CB 4.27Å; L433-E524 HydrophobicContact CD2-CB 4.46Å; R437-E524 IonicContact NH2-OE1 3.2Å; R437-E524 PolarHBondContact NH2-OE1 3.24Å; R437-E524 IonicContact NH2-OE2 3.66Å; A520-E524 WeakPolarHBondContact O-CB 3.41Å; A520-E524 PolarHBondContact O-N 2.66Å; E524-Y528 WeakPolarHBondContact O-CB 3.11Å; E524-Y528 PolarHBondContact O-N 3.39Å
525K96.5Very high95.9Very high80 Ų8050.9 Ų50.935%0.34827%0.27SS..Hα-helixtrans-67-39.6173.2-74.4171.2-178.7171.30112.4V419 R420 L521 A522 L523 Y528 E529V419-K525 HydrophobicContact CG2-CG 4.32Å; R420-K525 WeakPolarHBondContact O-CE 3.36Å; R420-K525 PolarHBondContact O-NZ 3.43Å; L521-K525 WeakPolarHBondContact O-CG 3.32Å; L521-K525 PolarHBondContact O-N 3.33Å; L521-K525 VanDerWaalsContact O-N 3.09Å; A522-K525 PolarHBondContact O-N 2.91Å; L523-K525 VanDerWaalsContact C-N 3.31Å; L523-K525 PolarHBondContact O-N 3.47Å; K525-Y528 PolarHBondContact O-N 2.9Å; K525-E529 PolarHBondContact O-N 3.16Å
526Q97.4Very high96Very high124 Ų12448.6 Ų48.658%0.57926%0.255SS*.Hα-helixtrans-62.5-49.3176.2-179.2-174.4-32.800111.1A522 L523 Y528 E529 E530A522-Q526 PolarHBondContact O-N 3.14Å; L523-Q526 WeakPolarHBondContact O-CB 3.47Å; L523-Q526 PolarHBondContact O-N 2.99Å; L523-Q526 VanDerWaalsContact O-N 3.14Å; Q526-Y528 VanDerWaalsContact C-N 3.27Å; Q526-Y528 PolarHBondContact O-N 3.42Å; Q526-E529 PolarHBondContact O-N 2.91Å; Q526-E530 PolarHBondContact O-N 2.91Å
527L98.2Very high95.3Very high7 Ų756.2 Ų56.24%0.03730%0.304CS..Hα-helixtrans-61.3-37.1177-68.5167.9000111.6I425 Y429 N430 L433 L523 E530 L531I425-L527 HydrophobicContact CD1-CB 4.34Å; I425-L527 HydrophobicContact CG1-CB 4.32Å; I425-L527 HydrophobicContact CG2-CD1 4.41Å; Y429-L527 HydrophobicContact CE1-CD2 4.28Å; N430-L527 HydrophobicContact CB-CD1 3.63Å; N430-L527 HydrophobicContact CB-CD2 4.31Å; L433-L527 HydrophobicContact CB-CD1 4.38Å; L433-L527 HydrophobicContact CD2-CD1 4.01Å; L523-L527 HydrophobicContact CD1-CD1 4.32Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 4.04Å; L523-L527 HydrophobicContact CG-CG 4.45Å; L523-L527 WeakPolarHBondContact O-CG 3.43Å; L523-L527 PolarHBondContact O-N 3.19Å; L527-E530 WeakPolarHBondContact O-CB 3.26Å; L527-E530 PolarHBondContact O-N 2.79Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 3.24Å; L527-L531 VanDerWaalsContact O-N 3.09Å
528Y98.3Very high95.5Very high5 Ų553.8 Ų53.82%0.0230%0.296CS..Hα-helixtrans-65-41.2175.6-170.4-99.1000112.8A360 R361 P362 L365 V419 V424 E524 K525 Q526 E530 L531 F532A360-Y528 PolarHBondContact O-OH 3.34Å; R361-Y528 PolarHBondContact O-OH 2.85Å; P362-Y528 HydrophobicContact CB-CE2 4.41Å; P362-Y528 HydrophobicContact CG-CE2 4.1Å; P362-Y528 VanDerWaalsContact N-OH 3.12Å; L365-Y528 HydrophobicContact CD1-CE2 3.65Å; V419-Y528 HydrophobicContact CB-CD1 4.26Å; V419-Y528 HydrophobicContact CB-CE1 4.47Å; V419-Y528 HydrophobicContact CB-CG 4.41Å; V419-Y528 HydrophobicContact CG1-CD1 4.26Å; V419-Y528 HydrophobicContact CG1-CE1 4.45Å; V419-Y528 HydrophobicContact CG2-CD1 4.04Å; V419-Y528 HydrophobicContact CG2-CD2 4.25Å; V419-Y528 HydrophobicContact CG2-CG 3.79Å; V424-Y528 HydrophobicContact CG1-CD2 3.88Å; V424-Y528 HydrophobicContact CG1-CE2 4.02Å; E524-Y528 WeakPolarHBondContact O-CB 3.11Å; E524-Y528 PolarHBondContact O-N 3.39Å; K525-Y528 PolarHBondContact O-N 2.9Å; Q526-Y528 VanDerWaalsContact C-N 3.27Å; Q526-Y528 PolarHBondContact O-N 3.42Å; Y528-E530 VanDerWaalsContact C-N 3.35Å; Y528-L531 HydrophobicContact CD2-CD1 4.33Å; Y528-L531 WeakPolarHBondContact O-CB 3.31Å; Y528-L531 PolarHBondContact O-N 3.37Å; Y528-F532 HydrophobicContact CD1-CE2 4.45Å; Y528-F532 HydrophobicContact CD1-CZ 4.19Å; Y528-F532 HydrophobicContact CE1-CE1 4.11Å; Y528-F532 HydrophobicContact CE1-CE2 4.16Å; Y528-F532 AromaticContact CE1-CZ 3.52Å; Y528-F532 HydrophobicContact CE1-CZ 3.52Å
529E97.1Very high95.7Very high82 Ų8254.3 Ų54.338%0.38329%0.288SS..Hα-helixtrans-67-35.7173.1-73.8-64.4145.700112.2R358 K525 Q526 L531 F532 D533R358-E529 IonicContact NH1-OE2 2.8Å; K525-E529 PolarHBondContact O-N 3.16Å; Q526-E529 PolarHBondContact O-N 2.91Å; E529-L531 PolarHBondContact O-N 3.44Å; E529-F532 VanDerWaalsContact O-CB 3.3Å; E529-F532 WeakPolarHBondContact O-CB 3.48Å; E529-F532 PolarHBondContact O-N 3.02Å; E529-F532 WeakPolarHBondContact OE2-CD2 3.32Å; E529-D533 PolarHBondContact O-N 3.5Å
530E97.8Very high95.8Very high77 Ų7750.8 Ų50.836%0.3628%0.276SS..Hα-helixtrans-61.7-33.1174.4-173.2179.6159.400111.7Q526 L527 Y528 F532 D533 L534Q526-E530 PolarHBondContact O-N 2.91Å; L527-E530 WeakPolarHBondContact O-CB 3.26Å; L527-E530 PolarHBondContact O-N 2.79Å; Y528-E530 VanDerWaalsContact C-N 3.35Å; E530-F532 PolarHBondContact O-N 2.85Å; E530-D533 WeakPolarHBondContact O-CA 3.34Å; E530-D533 WeakPolarHBondContact O-CB 3.49Å; E530-D533 PolarHBondContact O-N 3.07Å; E530-L534 HydrophobicContact CG-CD1 4.45Å; E530-L534 WeakPolarHBondContact O-CG 3.33Å; E530-L534 PolarHBondContact O-N 3.03Å
531L98.3Very high95.8Very high0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-59.4-33.4171.7-65.6175.9000112.1L365 L406 A410 I411 I425 Y429 L527 Y528 E529 L534 L535L365-L531 HydrophobicContact CD1-CD1 4.2Å; L406-L531 HydrophobicContact CD1-CD2 4.11Å; L406-L531 HydrophobicContact CD2-CD2 4.36Å; L406-L531 HydrophobicContact CG-CD2 4.2Å; A410-L531 HydrophobicContact CB-CD1 4.16Å; A410-L531 HydrophobicContact CB-CD2 3.76Å; I411-L531 HydrophobicContact CD1-CD1 4.04Å; I411-L531 HydrophobicContact CG1-CD1 4.04Å; I425-L531 HydrophobicContact CD1-CD1 4.13Å; Y429-L531 WeakPolarHBondContact OH-CD2 3.49Å; L527-L531 WeakPolarHBondContact O-CG 3.37Å; L527-L531 PolarHBondContact O-N 3.24Å; L527-L531 VanDerWaalsContact O-N 3.09Å; Y528-L531 HydrophobicContact CD2-CD1 4.33Å; Y528-L531 WeakPolarHBondContact O-CB 3.31Å; Y528-L531 PolarHBondContact O-N 3.37Å; E529-L531 PolarHBondContact O-N 3.44Å; L531-L534 PolarHBondContact O-N 2.94Å; L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.41Å; L531-L535 WeakPolarHBondContact O-CD1 3.15Å; L531-L535 WeakPolarHBondContact O-CG 3.22Å; L531-L535 PolarHBondContact O-N 3.23Å
532F97.8Very high95.8Very high2 Ų253.3 Ų53.31%0.00929%0.288CS..Hα-helixtrans-67.7-37.8173.2-58.9-29.5000111.7L355 R358 A360 L365 Y528 E529 E530 L534 L535 L536L355-F532 HydrophobicContact CD1-CD1 3.49Å; L355-F532 VanDerWaalsContact CD1-CD1 3.49Å; L355-F532 HydrophobicContact CD1-CE1 4.07Å; L355-F532 HydrophobicContact CD1-CG 4.35Å; R358-F532 HydrophobicContact CB-CD2 3.83Å; R358-F532 HydrophobicContact CB-CE2 3.96Å; R358-F532 HydrophobicContact CG-CB 4.35Å; R358-F532 HydrophobicContact CG-CD2 3.83Å; R358-F532 HydrophobicContact CG-CE2 4.46Å; R358-F532 HydrophobicContact CG-CG 4.31Å; A360-F532 HydrophobicContact CB-CE1 3.98Å; A360-F532 HydrophobicContact CB-CZ 4.29Å; L365-F532 HydrophobicContact CD1-CE1 4.34Å; Y528-F532 HydrophobicContact CD1-CE2 4.45Å; Y528-F532 HydrophobicContact CD1-CZ 4.19Å; Y528-F532 HydrophobicContact CE1-CE1 4.11Å; Y528-F532 HydrophobicContact CE1-CE2 4.16Å; Y528-F532 AromaticContact CE1-CZ 3.52Å; Y528-F532 HydrophobicContact CE1-CZ 3.52Å; E529-F532 VanDerWaalsContact O-CB 3.3Å; E529-F532 WeakPolarHBondContact O-CB 3.48Å; E529-F532 PolarHBondContact O-N 3.02Å; E529-F532 WeakPolarHBondContact OE2-CD2 3.32Å; E530-F532 PolarHBondContact O-N 2.85Å; F532-L534 VanDerWaalsContact C-N 3.29Å; F532-L534 PolarHBondContact O-N 2.96Å; F532-L535 PolarHBondContact O-N 3.12Å; F532-L536 HydrophobicContact CB-CD1 4.34Å; F532-L536 VanDerWaalsContact O-CB 3.22Å; F532-L536 WeakPolarHBondContact O-CB 3.36Å; F532-L536 WeakPolarHBondContact O-CD1 3.42Å; F532-L536 WeakPolarHBondContact O-CG 3.46Å; F532-L536 PolarHBondContact O-N 3.46Å
533D97.1Very high95.8Very high93 Ų9353 Ų5350%0.49728%0.275SS..Hα-helixtrans-63.6-36.6176.5-59.7-29.2000111.9R358 E529 E530R358-D533 IonicContact CZ-OD1 2.94Å; R358-D533 VanDerWaalsContact CZ-OD1 3.24Å; R358-D533 IonicContact NH1-OD1 2.79Å; R358-D533 PolarHBondContact NH1-OD1 2.97Å; R358-D533 IonicContact NH2-OD1 2.74Å; R358-D533 PolarHBondContact NH2-OD1 2.94Å; E529-D533 PolarHBondContact O-N 3.5Å; E530-D533 WeakPolarHBondContact O-CA 3.34Å; E530-D533 WeakPolarHBondContact O-CB 3.49Å; E530-D533 PolarHBondContact O-N 3.07Å
534L97.6Very high95.7Very high85 Ų8555.6 Ų55.645%0.44529%0.289SS..Hα-helixtrans-79.1-27.2179-63.3173.3000113.6L406 E530 L531 F532L406-L534 HydrophobicContact CD1-CD1 4.14Å; L406-L534 HydrophobicContact CD2-CB 3.89Å; L406-L534 HydrophobicContact CD2-CD1 4Å; E530-L534 HydrophobicContact CG-CD1 4.45Å; E530-L534 WeakPolarHBondContact O-CG 3.33Å; E530-L534 PolarHBondContact O-N 3.03Å; L531-L534 PolarHBondContact O-N 2.94Å; F532-L534 VanDerWaalsContact C-N 3.29Å; F532-L534 PolarHBondContact O-N 2.96Å
535L97Very high95.6Very high21 Ų2159.3 Ų59.311%0.1131%0.308CS..Hα-helixtrans-92.7-25-178.3-69.4169.5000113.4L355 L365 L403 L407 L531 F532L355-L535 HydrophobicContact CD1-CB 3.99Å; L355-L535 HydrophobicContact CD1-CD1 3.97Å; L355-L535 HydrophobicContact CD2-CB 3.84Å; L365-L535 HydrophobicContact CD2-CD1 3.92Å; L403-L535 HydrophobicContact CB-CD2 4.29Å; L403-L535 HydrophobicContact CD1-CD2 4.23Å; L403-L535 HydrophobicContact CD2-CD2 4.15Å; L403-L535 HydrophobicContact CG-CD2 4.45Å; L407-L535 HydrophobicContact CD2-CD1 4.24Å; L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.41Å; L531-L535 WeakPolarHBondContact O-CD1 3.15Å; L531-L535 WeakPolarHBondContact O-CG 3.22Å; L531-L535 PolarHBondContact O-N 3.23Å; F532-L535 PolarHBondContact O-N 3.12Å
536L93.7Very high95.5Very high35 Ų3557.6 Ų57.618%0.18331%0.305CS..  trans-81.2146177.5-70.9170.8000110.9L355 R358 F532L355-L536 HydrophobicContact CD2-CD2 4.45Å; L355-L536 HydrophobicContact CG-CD2 4.02Å; L355-L536 HydrophobicContact CG-CG 4.42Å; R358-L536 HydrophobicContact CG-CD1 4.4Å; F532-L536 HydrophobicContact CB-CD1 4.34Å; F532-L536 VanDerWaalsContact O-CB 3.22Å; F532-L536 WeakPolarHBondContact O-CB 3.36Å; F532-L536 WeakPolarHBondContact O-CD1 3.42Å; F532-L536 WeakPolarHBondContact O-CG 3.46Å; F532-L536 PolarHBondContact O-N 3.46Å
537P76.1Confident95.4Very high160 Ų16051.5 Ų51.5100%1.03928%0.28SS*.  trans-70.80-18031.4-36.9000114.1

Retrieved 537 of 537 residues in 511.4 ms (Link to these results)

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