G4VJL7_SCHMA Loading...

Putative lipid-binding protein

AlphaFold DB , UniProt , Accession G4VJL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M45.7Very low78.6Confident186 Ų18673 Ų7392%0.91645%0.449SS*.  0125.30-61.8-176.3-152.900106.3F17M1-F17 HydrophobicContact CE-CD1 4.15Å; M1-F17 HydrophobicContact CE-CE1 4.46Å; M1-F17 HydrophobicContact CE-CG 4.47Å
2S47.3Very low79.6Confident112 Ų11269.3 Ų69.378%0.78343%0.426SS*.  trans-62.4156.1-179.964.50000109.8G4S2-G4 PolarHBondContact O-N 3.2Å
3S55Low80.5Confident59 Ų5972.1 Ų72.141%0.41345%0.446SS..SBendtrans-66.150.6175.543.40000112.8
4G72.8Confident81.3Confident39 Ų3969.9 Ų69.940%0.40243%0.43SS..  trans-77.7172.2178.900000113.2S2S2-G4 PolarHBondContact O-N 3.2Å
5T86.5Confident82.2Confident89 Ų8969.9 Ų69.955%0.54643%0.43SS..  trans-57.5153.317060.60000110.8E273T5-E273 WeakPolarHBondContact CB-OE1 3.24Å; T5-E273 WeakPolarHBondContact CB-OE2 3.45Å; T5-E273 WeakPolarHBondContact CG2-OE2 3.46Å
6F92.2Very high83.2Confident18 Ų1875.1 Ų75.18%0.07945%0.445CS..  trans-145.8144.317475.6-81.8000110.2L8 P116 I117 G118 F119 F125 E273 Q274F6-L8 HydrophobicContact CE2-CG 4.21Å; F6-P116 HydrophobicContact CE2-CB 4.37Å; F6-P116 HydrophobicContact CZ-CB 4.01Å; F6-I117 WeakPolarHBondContact CE1-O 3.32Å; F6-G118 VanDerWaalsContact CE1-CA 3.45Å; F6-F119 HydrophobicContact CD2-CD2 4.48Å; F6-F119 HydrophobicContact CD2-CE2 4Å; F6-F119 HydrophobicContact CG-CE2 4.45Å; F6-F125 HydrophobicContact CD2-CE2 4.06Å; F6-F125 AromaticContact CE2-CE2 3.45Å; F6-F125 HydrophobicContact CE2-CE2 3.45Å; F6-F125 VanDerWaalsContact CE2-CE2 3.45Å; F6-F125 AromaticContact CE2-CZ 3.74Å; F6-F125 HydrophobicContact CE2-CZ 3.74Å; F6-F125 AromaticContact CZ-CE2 3.99Å; F6-F125 HydrophobicContact CZ-CE2 3.99Å; F6-F125 HydrophobicContact CZ-CZ 4.1Å; F6-E273 PolarHBondContact N-OE1 3.03Å; F6-E273 VanDerWaalsContact N-OE1 3.09Å; F6-Q274 HydrophobicContact CE1-CG 4.37Å; F6-Q274 HydrophobicContact CZ-CG 4.1Å; F6-Q274 PolarHBondContact O-NE2 3.27Å
7H95.2Very high83.9Confident99 Ų9974.7 Ų74.746%0.45844%0.436SS..  trans-121134.2175.7-58.5-72.1000108.6R160 D277H7-R160 PolarHBondContact O-NH2 3.44Å; H7-D277 IonicContact CE1-OD1 3.62Å; H7-D277 IonicContact CE1-OD2 3.1Å; H7-D277 IonicContact CG-OD2 3.3Å; H7-D277 IonicContact ND1-OD1 3.48Å; H7-D277 PolarHBondContact ND1-OD1 3.48Å; H7-D277 IonicContact ND1-OD2 2.83Å; H7-D277 PolarHBondContact ND1-OD2 3.45Å
8L95.6Very high84.7Confident20 Ų2071.3 Ų71.311%0.10542%0.415CS..  trans-82.1129.8172.8-71.6166000108.4F6 P116 F119 F125 I155 D158 V161F6-L8 HydrophobicContact CE2-CG 4.21Å; L8-P116 HydrophobicContact CD1-CB 4.46Å; L8-F119 HydrophobicContact CD2-CZ 4.35Å; L8-F125 HydrophobicContact CD1-CE1 4.5Å; L8-F125 HydrophobicContact CD1-CZ 3.96Å; L8-F125 HydrophobicContact CD2-CE2 3.99Å; L8-F125 HydrophobicContact CD2-CZ 4.09Å; L8-F125 HydrophobicContact CG-CZ 4.37Å; L8-I155 HydrophobicContact CD1-CB 4.44Å; L8-I155 HydrophobicContact CD1-CG1 3.69Å; L8-D158 WeakPolarHBondContact CA-OD2 3.16Å; L8-D158 HydrophobicContact CD2-CB 3.77Å; L8-V161 HydrophobicContact CD2-CG2 4.09Å
9S93.5Very high85.3Confident33 Ų3374 Ų7423%0.23142%0.418CS..  trans-154.5139179.1171.20000111.7S11 T12 D158S9-S11 PolarHBondContact O-N 3.47Å; S9-S11 PolarHBondContact OG-N 3.2Å; S9-S11 VanDerWaalsContact OG-N 3.11Å; S9-S11 PolarHBondContact OG-OG 3.14Å; S9-T12 PolarHBondContact O-N 3.48Å; S9-T12 PolarHBondContact O-OG1 2.87Å; S9-D158 PolarHBondContact N-OD2 3.35Å
10P91.2Very high85.9Confident49 Ų4974.4 Ų74.432%0.31842%0.418SS..THydrogen-bonded Turntrans-64.3-19.417327.3-34.6000113.5E157P10-E157 WeakPolarHBondContact CA-O 3.47Å; P10-E157 HydrophobicContact CB-CB 4.27Å
11S89.9Confident86.4Confident99 Ų9972.7 Ų72.769%0.69241%0.407SS*.THydrogen-bonded Turntrans-100.78.4-178.360.50000113.9S9 P13S9-S11 PolarHBondContact O-N 3.47Å; S9-S11 PolarHBondContact OG-N 3.2Å; S9-S11 VanDerWaalsContact OG-N 3.11Å; S9-S11 PolarHBondContact OG-OG 3.14Å; S11-P13 WeakPolarHBondContact O-CD 3.31Å
12T91.1Very high88.9Confident28 Ų2863.9 Ų63.917%0.17236%0.363CS..  trans-57.4123.9-179-57.90000111.2S9 I14 D158 R160S9-T12 PolarHBondContact O-N 3.48Å; S9-T12 PolarHBondContact O-OG1 2.87Å; T12-I14 PolarHBondContact O-N 3.15Å; T12-D158 PolarHBondContact OG1-OD2 3.24Å; T12-R160 HydrophobicContact CG2-CG 4.39Å
13P90.3Very high91.3Very high106 Ų10662.6 Ų62.669%0.68835%0.35SS*.  trans-59.6131.1178.5-26.235.2000112.9S11 T15S11-P13 WeakPolarHBondContact O-CD 3.31Å; P13-T15 PolarHBondContact O-N 2.91Å
14I92.5Very high93.3Very high41 Ų4168.4 Ų68.421%0.2137%0.368CS..  trans-81.3101.3176.7-62.5-53.8000109.8T12 F18 R19 P159 R160 I163T12-I14 PolarHBondContact O-N 3.15Å; I14-F18 HydrophobicContact CD1-CB 4.36Å; I14-F18 HydrophobicContact CG2-CB 3.78Å; I14-R19 HydrophobicContact CG2-CB 4.16Å; I14-R19 PolarHBondContact O-NH2 3Å; I14-P159 HydrophobicContact CD1-CB 3.9Å; I14-P159 HydrophobicContact CD1-CG 3.74Å; I14-P159 HydrophobicContact CG1-CG 4.45Å; I14-R160 HydrophobicContact CD1-CG 4.38Å; I14-I163 HydrophobicContact CD1-CD1 3.92Å; I14-I163 HydrophobicContact CG1-CD1 4.48Å; I14-I163 HydrophobicContact CG2-CD1 4.46Å
15T95.1Very high94.3Very high71 Ų7168.3 Ų68.344%0.43636%0.358SS..  trans-64.4165.7174.871.40000111.6P13 F17 F18 R19P13-T15 PolarHBondContact O-N 2.91Å; T15-F17 PolarHBondContact O-N 3.31Å; T15-F18 PolarHBondContact O-N 3.25Å; T15-F18 VanDerWaalsContact O-N 3.08Å; T15-F18 VanDerWaalsContact OG1-CD2 3.3Å; T15-F18 WeakPolarHBondContact OG1-CD2 3.07Å; T15-R19 PolarHBondContact O-N 3.24Å
16K96.8Very high94.8Very high153 Ų15364.1 Ų64.167%0.66533%0.332SS*.Hα-helixtrans-51.2-42175.5-176.5178.9-178-65.80112.3F18 R19 D20K16-F18 PolarHBondContact O-N 3.35Å; K16-R19 PolarHBondContact O-N 3.36Å; K16-D20 IonicContact NZ-OD2 2.75Å; K16-D20 PolarHBondContact NZ-OD2 2.81Å; K16-D20 WeakPolarHBondContact O-CB 3.45Å; K16-D20 PolarHBondContact O-N 3.44Å
17F96.6Very high95.1Very high68 Ų6871.7 Ų71.730%0.29836%0.36SS..Hα-helixtrans-56-48.8177.3172.1-97.9000112.7M1 T15 K21M1-F17 HydrophobicContact CE-CD1 4.15Å; M1-F17 HydrophobicContact CE-CE1 4.46Å; M1-F17 HydrophobicContact CE-CG 4.47Å; T15-F17 PolarHBondContact O-N 3.31Å; F17-K21 HydrophobicContact CE1-CG 4.41Å; F17-K21 HydrophobicContact CE2-CG 4.5Å; F17-K21 HydrophobicContact CZ-CG 4.28Å; F17-K21 WeakPolarHBondContact O-CB 3.42Å; F17-K21 VanDerWaalsContact O-CG 3.32Å; F17-K21 WeakPolarHBondContact O-CG 3.42Å; F17-K21 PolarHBondContact O-N 3.48Å; F17-K21 VanDerWaalsContact O-N 3.07Å
18F96.6Very high95.1Very high13 Ų1367.5 Ų67.56%0.05734%0.34CS..Hα-helixtrans-72-32.4179.8-68.4-66.6000112.4I14 T15 K16 K21 S22 R160 I163I14-F18 HydrophobicContact CD1-CB 4.36Å; I14-F18 HydrophobicContact CG2-CB 3.78Å; T15-F18 PolarHBondContact O-N 3.25Å; T15-F18 VanDerWaalsContact O-N 3.08Å; T15-F18 VanDerWaalsContact OG1-CD2 3.3Å; T15-F18 WeakPolarHBondContact OG1-CD2 3.07Å; K16-F18 PolarHBondContact O-N 3.35Å; F18-K21 PolarHBondContact O-N 3.17Å; F18-S22 WeakPolarHBondContact O-CB 3.36Å; F18-S22 PolarHBondContact O-N 3.05Å; F18-R160 HydrophobicContact CD1-CB 4.14Å; F18-R160 HydrophobicContact CD1-CG 4.22Å; F18-R160 HydrophobicContact CD2-CG 4.02Å; F18-R160 HydrophobicContact CE1-CB 3.75Å; F18-R160 HydrophobicContact CE1-CG 3.99Å; F18-R160 HydrophobicContact CE2-CB 4.44Å; F18-R160 HydrophobicContact CE2-CG 3.79Å; F18-R160 HydrophobicContact CG-CG 4.25Å; F18-R160 HydrophobicContact CZ-CB 3.93Å; F18-R160 HydrophobicContact CZ-CG 3.78Å; F18-I163 HydrophobicContact CB-CD1 4.46Å
19R96.4Very high95.2Very high123 Ų12369.8 Ų69.846%0.46435%0.353SS..Hα-helixtrans-65.7-46.7173.9-167.3-176.8-54.9-86.4-7112I14 T15 K16 K21 S22 V23I14-R19 HydrophobicContact CG2-CB 4.16Å; I14-R19 PolarHBondContact O-NH2 3Å; T15-R19 PolarHBondContact O-N 3.24Å; K16-R19 PolarHBondContact O-N 3.36Å; R19-K21 VanDerWaalsContact C-N 3.26Å; R19-K21 PolarHBondContact O-N 2.97Å; R19-S22 PolarHBondContact O-N 3.46Å; R19-S22 VanDerWaalsContact O-N 3.09Å; R19-S22 PolarHBondContact O-OG 3.18Å; R19-V23 WeakPolarHBondContact O-CG2 3.44Å; R19-V23 PolarHBondContact O-N 2.89Å; R19-V23 VanDerWaalsContact O-N 3.09Å
20D97.5Very high95.1Very high81 Ų8172.2 Ų72.243%0.43337%0.366SS..Hα-helixtrans-62.2-39.4177.1-65.5-11.9000110.3K16 K24K16-D20 IonicContact NZ-OD2 2.75Å; K16-D20 PolarHBondContact NZ-OD2 2.81Å; K16-D20 WeakPolarHBondContact O-CB 3.45Å; K16-D20 PolarHBondContact O-N 3.44Å; D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 PolarHBondContact O-N 3.1Å; D20-K24 VanDerWaalsContact O-N 3.09Å
21K96.9Very high95.3Very high39 Ų3973.8 Ų73.817%0.1738%0.379CS..Hα-helixtrans-64.4-39.8172.1-79.8-84.6-177.6155.30112.6F17 F18 R19 K24 E25 D122 I163F17-K21 HydrophobicContact CE1-CG 4.41Å; F17-K21 HydrophobicContact CE2-CG 4.5Å; F17-K21 HydrophobicContact CZ-CG 4.28Å; F17-K21 WeakPolarHBondContact O-CB 3.42Å; F17-K21 VanDerWaalsContact O-CG 3.32Å; F17-K21 WeakPolarHBondContact O-CG 3.42Å; F17-K21 PolarHBondContact O-N 3.48Å; F17-K21 VanDerWaalsContact O-N 3.07Å; F18-K21 PolarHBondContact O-N 3.17Å; R19-K21 VanDerWaalsContact C-N 3.26Å; R19-K21 PolarHBondContact O-N 2.97Å; K21-K24 PolarHBondContact O-N 3.06Å; K21-E25 HydrophobicContact CD-CG 4.18Å; K21-E25 WeakPolarHBondContact CD-OE1 3.35Å; K21-E25 IonicContact NZ-OE1 3.31Å; K21-E25 PolarHBondContact NZ-OE1 3.18Å; K21-E25 VanDerWaalsContact O-CB 3.3Å; K21-E25 WeakPolarHBondContact O-CB 3.26Å; K21-E25 PolarHBondContact O-N 2.73Å; K21-D122 WeakPolarHBondContact CE-O 3.36Å; K21-D122 PolarHBondContact NZ-O 3.21Å; K21-I163 HydrophobicContact CB-CG2 3.95Å
22S97.1Very high95.6Very high1 Ų173.7 Ų73.71%0.00737%0.367CS..Hα-helixtrans-67.1-42.7-177.976.10000111.5F18 R19 V26 R27 E28F18-S22 WeakPolarHBondContact O-CB 3.36Å; F18-S22 PolarHBondContact O-N 3.05Å; R19-S22 PolarHBondContact O-N 3.46Å; R19-S22 VanDerWaalsContact O-N 3.09Å; R19-S22 PolarHBondContact O-OG 3.18Å; S22-V26 CarbonylContact O-C 3.59Å; S22-V26 WeakPolarHBondContact O-CG2 3.26Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.12Å; S22-R27 PolarHBondContact O-N 3.19Å; S22-R27 VanDerWaalsContact O-N 3.08Å; S22-E28 VanDerWaalsContact CB-OE1 3.28Å; S22-E28 WeakPolarHBondContact CB-OE1 3.17Å; S22-E28 PolarHBondContact O-N 2.73Å; S22-E28 VanDerWaalsContact O-N 3.13Å; S22-E28 PolarHBondContact OG-OE1 3.27Å
23V97.6Very high95.9Very high85 Ų8573.9 Ų73.952%0.51537%0.366SS..Hα-helixtrans-59.2-51.6172.4175.80000110.8R19 R27R19-V23 WeakPolarHBondContact O-CG2 3.44Å; R19-V23 PolarHBondContact O-N 2.89Å; R19-V23 VanDerWaalsContact O-N 3.09Å; V23-R27 VanDerWaalsContact O-CA 3.27Å; V23-R27 WeakPolarHBondContact O-CA 3.15Å; V23-R27 PolarHBondContact O-N 3.13Å
24K97Very high96.2Very high181 Ų18173.8 Ų73.879%0.78736%0.364SS*.Hα-helixtrans-72.2-44.5-173.6-175.8176.1179.5175.50113.8D20 K21D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 PolarHBondContact O-N 3.1Å; D20-K24 VanDerWaalsContact O-N 3.09Å; K21-K24 PolarHBondContact O-N 3.06Å
25E95.7Very high96.5Very high38 Ų3874.9 Ų74.918%0.17838%0.379CS..Hα-helixtrans-97.2-32.2-167.9-68.8-159.1-160.800114.3K21 K67 R203 K205K21-E25 HydrophobicContact CD-CG 4.18Å; K21-E25 WeakPolarHBondContact CD-OE1 3.35Å; K21-E25 IonicContact NZ-OE1 3.31Å; K21-E25 PolarHBondContact NZ-OE1 3.18Å; K21-E25 VanDerWaalsContact O-CB 3.3Å; K21-E25 WeakPolarHBondContact O-CB 3.26Å; K21-E25 PolarHBondContact O-N 2.73Å; E25-K67 WeakPolarHBondContact O-CE 3.19Å; E25-R203 IonicContact OE2-CZ 3.39Å; E25-R203 IonicContact OE2-NH1 2.66Å; E25-R203 PolarHBondContact OE2-NH1 3.39Å; E25-R203 IonicContact OE2-NH2 3.78Å; E25-R203 PolarHBondContact OE2-NH2 3.14Å; E25-K205 IonicContact OE2-NZ 3.54Å; E25-K205 PolarHBondContact OE2-NZ 2.66Å
26V96.7Very high96.6Very high0 Ų073.4 Ų73.40%037%0.367CS..Hα-helixtrans-1153.8179.9-530000113.3S22 E28 R64 K67 Y68S22-V26 CarbonylContact O-C 3.59Å; S22-V26 WeakPolarHBondContact O-CG2 3.26Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.12Å; V26-E28 HydrophobicContact CG2-CB 3.99Å; V26-E28 PolarHBondContact O-N 2.93Å; V26-R64 WeakPolarHBondContact CB-O 3.4Å; V26-R64 WeakPolarHBondContact CG1-O 3.29Å; V26-R64 HydrophobicContact CG2-CB 4.41Å; V26-R64 HydrophobicContact CG2-CG 4.29Å; V26-K67 CarbonylContact O-C 3.53Å; V26-K67 WeakPolarHBondContact O-CA 3.17Å; V26-Y68 WeakPolarHBondContact O-CD2 3.27Å
27R97.1Very high96.7Very high177 Ų17766.7 Ų66.767%0.66834%0.339SS*.  trans58.231.5177.2-53.8177.1176.4171.2-4.9112.6S22 V23 N29 K67S22-R27 PolarHBondContact O-N 3.19Å; S22-R27 VanDerWaalsContact O-N 3.08Å; V23-R27 VanDerWaalsContact O-CA 3.27Å; V23-R27 WeakPolarHBondContact O-CA 3.15Å; V23-R27 PolarHBondContact O-N 3.13Å; R27-N29 PolarHBondContact O-N 3.23Å; R27-K67 HydrophobicContact CG-CB 4.5Å
28E96.9Very high96.8Very high12 Ų1266 Ų666%0.05634%0.34CS..  trans-68.8117.5177.2-176.3169.98400109.3S22 V26 I33 R64 Y68S22-E28 VanDerWaalsContact CB-OE1 3.28Å; S22-E28 WeakPolarHBondContact CB-OE1 3.17Å; S22-E28 PolarHBondContact O-N 2.73Å; S22-E28 VanDerWaalsContact O-N 3.13Å; S22-E28 PolarHBondContact OG-OE1 3.27Å; V26-E28 HydrophobicContact CG2-CB 3.99Å; V26-E28 PolarHBondContact O-N 2.93Å; E28-I33 HydrophobicContact CG-CD1 3.93Å; E28-I33 HydrophobicContact CG-CG1 4.33Å; E28-R64 IonicContact OE1-NH2 2.84Å; E28-R64 IonicContact OE2-CZ 2.91Å; E28-R64 IonicContact OE2-NE 2.85Å; E28-R64 PolarHBondContact OE2-NE 3.09Å; E28-R64 IonicContact OE2-NH2 3.36Å; E28-R64 PolarHBondContact OE2-NH2 2.76Å; E28-Y68 VanDerWaalsContact CA-CE2 3.49Å; E28-Y68 HydrophobicContact CB-CE2 3.68Å; E28-Y68 HydrophobicContact CG-CE2 3.98Å; E28-Y68 WeakPolarHBondContact CG-OH 3.42Å; E28-Y68 PolarHBondContact OE2-OH 2.83Å
29N96.1Very high96.8Very high67 Ų6767.3 Ų67.336%0.35835%0.351SS..  trans-107.2112.8168.2-177.1-8.6000108.9R27 S31 H32 I33R27-N29 PolarHBondContact O-N 3.23Å; N29-S31 PolarHBondContact ND2-OG 2.8Å; N29-S31 PolarHBondContact O-N 2.57Å; N29-S31 PolarHBondContact OD1-N 2.57Å; N29-S31 VanDerWaalsContact OD1-N 3.09Å; N29-S31 PolarHBondContact OD1-OG 3.1Å; N29-H32 HydrophobicContact CB-CB 4.43Å; N29-H32 PolarHBondContact ND2-ND1 2.81Å; N29-H32 PolarHBondContact O-N 3.09Å; N29-I33 PolarHBondContact O-N 3.24Å
30T92.4Very high96.9Very high84 Ų8461.6 Ų61.652%0.51533%0.329SS..THydrogen-bonded Turntrans-59-30.5-176.549.30000113.5H32 I33T30-H32 PolarHBondContact O-N 2.98Å; T30-I33 HydrophobicContact CG2-CD1 4.38Å
31S95.2Very high96.9Very high83 Ų8360 Ų6058%0.5832%0.319SS*.THydrogen-bonded Turntrans-71.7-19.2177.765.20000113.2N29N29-S31 PolarHBondContact ND2-OG 2.8Å; N29-S31 PolarHBondContact O-N 2.57Å; N29-S31 PolarHBondContact OD1-N 2.57Å; N29-S31 VanDerWaalsContact OD1-N 3.09Å; N29-S31 PolarHBondContact OD1-OG 3.1Å
32H95.9Very high97Very high96 Ų9667 Ų6744%0.44434%0.344SS..THydrogen-bonded Turntrans-108.8-3.5-174.4-61.1173000113.6N29 T30 T34 A35 H36N29-H32 HydrophobicContact CB-CB 4.43Å; N29-H32 PolarHBondContact ND2-ND1 2.81Å; N29-H32 PolarHBondContact O-N 3.09Å; T30-H32 PolarHBondContact O-N 2.98Å; H32-T34 VanDerWaalsContact C-N 3.33Å; H32-T34 PolarHBondContact O-N 3.24Å; H32-A35 PolarHBondContact O-N 3.31Å; H32-A35 VanDerWaalsContact O-N 3.11Å; H32-H36 PolarHBondContact O-CD2 3.24Å; H32-H36 PolarHBondContact O-N 2.81Å
33I96.5Very high97Very high32 Ų3268.7 Ų68.716%0.16435%0.35CS..Hα-helixtrans-54.4-49.1-178.1-70.5176.1000111.1E28 N29 T30 A35 H36 L37 L60E28-I33 HydrophobicContact CG-CD1 3.93Å; E28-I33 HydrophobicContact CG-CG1 4.33Å; N29-I33 PolarHBondContact O-N 3.24Å; T30-I33 HydrophobicContact CG2-CD1 4.38Å; I33-A35 VanDerWaalsContact C-N 3.28Å; I33-A35 PolarHBondContact O-N 3.33Å; I33-H36 PolarHBondContact O-N 3.08Å; I33-H36 VanDerWaalsContact O-N 3.16Å; I33-L37 HydrophobicContact CG2-CD1 3.62Å; I33-L37 HydrophobicContact CG2-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CG 3.37Å; I33-L37 PolarHBondContact O-N 2.89Å; I33-L60 HydrophobicContact CG2-CD2 3.92Å
34T97.5Very high97Very high104 Ų10465.4 Ų65.464%0.63833%0.33SS*.Hα-helixtrans-59.6-38-179.9-49.60000112.5H32 T38H32-T34 VanDerWaalsContact C-N 3.33Å; H32-T34 PolarHBondContact O-N 3.24Å; T34-T38 WeakPolarHBondContact O-CB 3.31Å; T34-T38 PolarHBondContact O-N 3.31Å; T34-T38 PolarHBondContact O-OG1 2.91Å
35A98Very high96.9Very high64 Ų6462.3 Ų62.353%0.52933%0.33SS..Hα-helixtrans-68.2-42.4177.500000111.6H32 I33 T38 S39H32-A35 PolarHBondContact O-N 3.31Å; H32-A35 VanDerWaalsContact O-N 3.11Å; I33-A35 VanDerWaalsContact C-N 3.28Å; I33-A35 PolarHBondContact O-N 3.33Å; A35-T38 PolarHBondContact O-N 3.38Å; A35-S39 WeakPolarHBondContact O-CB 3.11Å; A35-S39 PolarHBondContact O-N 3.43Å
36H98.3Very high97Very high41 Ų4164 Ų6419%0.1935%0.345CS..Hα-helixtrans-64.8-41.7175.7-65.9-53.2000112.4H32 I33 S39 I40 L63 Y68 H70H32-H36 PolarHBondContact O-CD2 3.24Å; H32-H36 PolarHBondContact O-N 2.81Å; I33-H36 PolarHBondContact O-N 3.08Å; I33-H36 VanDerWaalsContact O-N 3.16Å; H36-S39 PolarHBondContact O-N 3.48Å; H36-I40 WeakPolarHBondContact O-CG2 3.48Å; H36-I40 PolarHBondContact O-N 3Å; H36-L63 HydrophobicContact CB-CD1 3.98Å; H36-L63 HydrophobicContact CB-CD2 4.33Å; H36-Y68 HydrophobicContact CB-CD1 3.96Å; H36-Y68 HydrophobicContact CB-CE1 4.22Å; H36-Y68 AromaticContact CD2-CD1 3.2Å; H36-Y68 WeakPolarHBondContact CD2-CD1 3.19Å; H36-Y68 AromaticContact CD2-CE1 3.69Å; H36-Y68 AromaticContact CG-CD1 3.6Å; H36-Y68 AromaticContact NE2-CD1 3.72Å; H36-H70 AromaticContact CE1-NE2 3.85Å; H36-H70 AromaticContact CG-NE2 3.74Å; H36-H70 AromaticContact ND1-CE1 3.59Å; H36-H70 AromaticContact ND1-NE2 2.93Å; H36-H70 PolarHBondContact ND1-NE2 2.75Å
37L98.3Very high97Very high11 Ų1165.8 Ų65.86%0.05835%0.354CS..Hα-helixtrans-62-45174.5-72.2169.1000111.8I33 S39 I40 K41 D56 F59 L60 L63I33-L37 HydrophobicContact CG2-CD1 3.62Å; I33-L37 HydrophobicContact CG2-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CG 3.37Å; I33-L37 PolarHBondContact O-N 2.89Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 3.31Å; L37-I40 WeakPolarHBondContact O-CG2 3.31Å; L37-I40 PolarHBondContact O-N 3.09Å; L37-K41 WeakPolarHBondContact O-CB 3.23Å; L37-K41 WeakPolarHBondContact O-CG 3.43Å; L37-K41 PolarHBondContact O-N 3.46Å; L37-D56 HydrophobicContact CD1-CB 3.99Å; L37-D56 HydrophobicContact CD2-CB 4.08Å; L37-F59 HydrophobicContact CD2-CB 3.73Å; L37-F59 HydrophobicContact CD2-CD2 4.48Å; L37-L60 HydrophobicContact CD2-CD2 4.43Å; L37-L60 HydrophobicContact CD2-CG 4.23Å; L37-L63 HydrophobicContact CD2-CD1 4.18Å
38T98.2Very high96.9Very high54 Ų5461.2 Ų61.233%0.33135%0.348SS..Hα-helixtrans-59.5-42.8175.8-59.50000111.3T34 A35 R42T34-T38 WeakPolarHBondContact O-CB 3.31Å; T34-T38 PolarHBondContact O-N 3.31Å; T34-T38 PolarHBondContact O-OG1 2.91Å; A35-T38 PolarHBondContact O-N 3.38Å; T38-R42 WeakPolarHBondContact O-CB 3.09Å; T38-R42 VanDerWaalsContact O-CG 3.3Å; T38-R42 WeakPolarHBondContact O-CG 3.48Å; T38-R42 PolarHBondContact O-N 3.39Å
39S98.2Very high96.9Very high41 Ų4160.7 Ų60.729%0.28735%0.345SS..Hα-helixtrans-65.4-47.3-179.6179.80000112.9A35 H36 L37 K41 R42 W43 H70A35-S39 WeakPolarHBondContact O-CB 3.11Å; A35-S39 PolarHBondContact O-N 3.43Å; H36-S39 PolarHBondContact O-N 3.48Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 3.31Å; S39-K41 PolarHBondContact O-N 3.3Å; S39-R42 PolarHBondContact O-N 3.2Å; S39-W43 PolarHBondContact O-N 3.21Å; S39-H70 PolarHBondContact OG-CE1 3.39Å; S39-H70 VanDerWaalsContact OG-CE1 3.3Å; S39-H70 PolarHBondContact OG-ND1 3.14Å
40I97.9Very high97Very high2 Ų258 Ų581%0.0133%0.331CS..Hα-helixtrans-67.9-34.5179.7-166169.7000112.1H36 L37 W43 L44 F59 L63 A73 L77H36-I40 WeakPolarHBondContact O-CG2 3.48Å; H36-I40 PolarHBondContact O-N 3Å; L37-I40 WeakPolarHBondContact O-CG2 3.31Å; L37-I40 PolarHBondContact O-N 3.09Å; I40-W43 HydrophobicContact CG1-CE3 4.24Å; I40-W43 PolarHBondContact O-N 3.48Å; I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 PolarHBondContact O-N 2.91Å; I40-F59 HydrophobicContact CD1-CB 4.42Å; I40-F59 HydrophobicContact CD1-CD1 4.21Å; I40-F59 HydrophobicContact CG1-CD1 4.34Å; I40-F59 HydrophobicContact CG2-CB 3.81Å; I40-F59 HydrophobicContact CG2-CD1 4.15Å; I40-F59 HydrophobicContact CG2-CG 3.91Å; I40-L63 HydrophobicContact CD1-CG 4.49Å; I40-A73 HydrophobicContact CD1-CB 4.35Å; I40-L77 HydrophobicContact CD1-CD2 4.09Å; I40-L77 HydrophobicContact CG1-CD2 4.37Å
41K97.8Very high97.2Very high48 Ų4857.3 Ų57.321%0.20933%0.329CS..Hα-helixtrans-63.8-46.2172.4-71.3177.6-172.5-155.70112.1L37 S39 W43 L44 C45 D54 D56 F59L37-K41 WeakPolarHBondContact O-CB 3.23Å; L37-K41 WeakPolarHBondContact O-CG 3.43Å; L37-K41 PolarHBondContact O-N 3.46Å; S39-K41 PolarHBondContact O-N 3.3Å; K41-W43 VanDerWaalsContact C-N 3.3Å; K41-W43 PolarHBondContact O-N 2.79Å; K41-L44 PolarHBondContact O-N 2.9Å; K41-L44 VanDerWaalsContact O-N 3.16Å; K41-C45 PolarHBondContact O-N 3.34Å; K41-C45 PolarHBondContact O-SG 3.5Å; K41-C45 VanDerWaalsContact O-SG 3.32Å; K41-D54 VanDerWaalsContact CD-OD1 3.25Å; K41-D54 WeakPolarHBondContact CD-OD1 3.45Å; K41-D54 WeakPolarHBondContact CE-OD1 3.31Å; K41-D54 IonicContact NZ-OD1 3.65Å; K41-D54 PolarHBondContact NZ-OD1 3.12Å; K41-D54 IonicContact NZ-OD2 2.65Å; K41-D56 WeakPolarHBondContact CE-OD1 3.34Å; K41-D56 IonicContact NZ-OD1 3.88Å; K41-D56 PolarHBondContact NZ-OD1 2.89Å; K41-F59 HydrophobicContact CD-CE2 4.38Å; K41-F59 HydrophobicContact CG-CD2 4.09Å; K41-F59 HydrophobicContact CG-CE2 3.74Å; K41-F59 HydrophobicContact CG-CZ 4.29Å
42R97.9Very high97.2Very high185 Ų18554.4 Ų54.470%0.69831%0.309SS*.Hα-helixtrans-59.1-42.2175.3-75.7175.2-175.7170.72.7112T38 S39 C45 S46T38-R42 WeakPolarHBondContact O-CB 3.09Å; T38-R42 VanDerWaalsContact O-CG 3.3Å; T38-R42 WeakPolarHBondContact O-CG 3.48Å; T38-R42 PolarHBondContact O-N 3.39Å; S39-R42 PolarHBondContact O-N 3.2Å; R42-C45 PolarHBondContact O-N 2.88Å; R42-S46 PolarHBondContact O-N 3.23Å
43W97.8Very high97.2Very high37 Ų3751.8 Ų51.814%0.1430%0.304CS..Hα-helixtrans-61.8-46.6173.7167.282.7000111.6S39 I40 K41 C45 S46 M47 L50 Q74 L77 D78S39-W43 PolarHBondContact O-N 3.21Å; I40-W43 HydrophobicContact CG1-CE3 4.24Å; I40-W43 PolarHBondContact O-N 3.48Å; K41-W43 VanDerWaalsContact C-N 3.3Å; K41-W43 PolarHBondContact O-N 2.79Å; W43-C45 VanDerWaalsContact C-N 3.3Å; W43-C45 PolarHBondContact O-N 2.78Å; W43-S46 PolarHBondContact O-N 2.86Å; W43-S46 PolarHBondContact O-OG 3.11Å; W43-M47 HydrophobicContact CD2-CG 4.11Å; W43-M47 HydrophobicContact CH2-CG 4.29Å; W43-M47 HydrophobicContact CZ2-CG 3.71Å; W43-M47 HydrophobicContact CZ2-SD 4.13Å; W43-M47 WeakPolarHBondContact O-CG 3.28Å; W43-M47 PolarHBondContact O-N 2.86Å; W43-L50 HydrophobicContact CH2-CD1 3.8Å; W43-L50 HydrophobicContact CZ2-CD1 4.37Å; W43-L50 HydrophobicContact CZ3-CD1 4.43Å; W43-Q74 HydrophobicContact CD2-CB 3.94Å; W43-Q74 HydrophobicContact CD2-CG 3.47Å; W43-Q74 VanDerWaalsContact CD2-CG 3.47Å; W43-Q74 HydrophobicContact CE3-CB 4.21Å; W43-Q74 HydrophobicContact CE3-CG 3.76Å; W43-Q74 HydrophobicContact CG-CG 3.81Å; W43-Q74 HydrophobicContact CH2-CB 3.91Å; W43-Q74 HydrophobicContact CH2-CG 4.38Å; W43-Q74 VanDerWaalsContact CH2-O 3.24Å; W43-Q74 WeakPolarHBondContact CH2-O 3.29Å; W43-Q74 HydrophobicContact CZ2-CB 3.61Å; W43-Q74 HydrophobicContact CZ2-CG 4.14Å; W43-Q74 HydrophobicContact CZ3-CB 4.21Å; W43-Q74 HydrophobicContact CZ3-CG 4.21Å; W43-L77 HydrophobicContact CZ3-CB 4.44Å; W43-L77 HydrophobicContact CZ3-CD2 3.89Å; W43-L77 HydrophobicContact CZ3-CG 4.26Å; W43-D78 HydrophobicContact CH2-CB 4.35Å
44L97Very high97Very high17 Ų1756 Ų569%0.08933%0.327CS..Hα-helixtrans-59.2-42.6178.8-179.969.6000111.3I40 K41 S46 M47 L50 C52 F59 I81I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 PolarHBondContact O-N 2.91Å; K41-L44 PolarHBondContact O-N 2.9Å; K41-L44 VanDerWaalsContact O-N 3.16Å; L44-S46 PolarHBondContact O-N 2.82Å; L44-M47 PolarHBondContact O-N 2.81Å; L44-M47 VanDerWaalsContact O-N 3.09Å; L44-L50 HydrophobicContact CD1-CB 3.81Å; L44-L50 HydrophobicContact CD1-CD1 4.28Å; L44-C52 HydrophobicContact CD1-CB 4.4Å; L44-C52 HydrophobicContact CD2-CB 3.81Å; L44-F59 HydrophobicContact CD2-CE1 3.94Å; L44-F59 HydrophobicContact CD2-CZ 3.85Å; L44-I81 HydrophobicContact CD1-CD1 4.45Å
45C96.1Very high96.8Very high115 Ų11552.9 Ų52.978%0.77731%0.306SS*.Hα-helixtrans-62.2-25.4175.1-66.10000113.6K41 R42 W43K41-C45 PolarHBondContact O-N 3.34Å; K41-C45 PolarHBondContact O-SG 3.5Å; K41-C45 VanDerWaalsContact O-SG 3.32Å; R42-C45 PolarHBondContact O-N 2.88Å; W43-C45 VanDerWaalsContact C-N 3.3Å; W43-C45 PolarHBondContact O-N 2.78Å
46S96.3Very high96.7Very high73 Ų7352.9 Ų52.951%0.5130%0.297SS..Hα-helixtrans-88.1-5.2176.474.90000113.8R42 W43 L44 P48R42-S46 PolarHBondContact O-N 3.23Å; W43-S46 PolarHBondContact O-N 2.86Å; W43-S46 PolarHBondContact O-OG 3.11Å; L44-S46 PolarHBondContact O-N 2.82Å; S46-P48 WeakPolarHBondContact O-CD 3.19Å
47M97Very high96.6Very high38 Ų3856.7 Ų56.719%0.18731%0.31CS..  trans-93.898.2176.7-65-58.4105.600110.5W43 L44 H49 L50W43-M47 HydrophobicContact CD2-CG 4.11Å; W43-M47 HydrophobicContact CH2-CG 4.29Å; W43-M47 HydrophobicContact CZ2-CG 3.71Å; W43-M47 HydrophobicContact CZ2-SD 4.13Å; W43-M47 WeakPolarHBondContact O-CG 3.28Å; W43-M47 PolarHBondContact O-N 2.86Å; L44-M47 PolarHBondContact O-N 2.81Å; L44-M47 VanDerWaalsContact O-N 3.09Å; M47-H49 PolarHBondContact O-N 2.88Å; M47-H49 VanDerWaalsContact O-N 3.1Å; M47-L50 HydrophobicContact CB-CB 4.13Å; M47-L50 HydrophobicContact CB-CD1 3.96Å; M47-L50 HydrophobicContact CB-CG 4.08Å; M47-L50 HydrophobicContact CG-CD1 4.15Å; M47-L50 PolarHBondContact O-N 2.76Å; M47-L50 VanDerWaalsContact O-N 3.11Å
48P95.8Very high96.5Very high82 Ų8256.2 Ų56.253%0.53231%0.307SS..THydrogen-bonded Turntrans-68.8-15-171.630.6-38.4000114S46 K298S46-P48 WeakPolarHBondContact O-CD 3.19Å; P48-K298 HydrophobicContact CB-CB 4.44Å; P48-K298 HydrophobicContact CB-CD 4.32Å; P48-K298 VanDerWaalsContact O-CD 3.27Å; P48-K298 WeakPolarHBondContact O-CD 3.45Å
49H97.2Very high96.5Very high1 Ų153.7 Ų53.71%0.00529%0.292CS..THydrogen-bonded Turntrans-91.5-12.1177.463.9-69.4000113.8M47 D78 V294 N295 K298 R299 P300 S303M47-H49 PolarHBondContact O-N 2.88Å; M47-H49 VanDerWaalsContact O-N 3.1Å; H49-D78 IonicContact CD2-OD2 4Å; H49-D78 IonicContact CE1-OD2 3.58Å; H49-D78 IonicContact NE2-OD2 3.88Å; H49-D78 PolarHBondContact NE2-OD2 2.88Å; H49-V294 CarbonylContact O-C 3.46Å; H49-V294 WeakPolarHBondContact O-CA 3.5Å; H49-N295 WeakPolarHBondContact CB-O 3.21Å; H49-N295 PolarHBondContact O-N 3.18Å; H49-K298 HydrophobicContact CB-CB 4.13Å; H49-R299 HydrophobicContact CB-CB 3.88Å; H49-R299 HydrophobicContact CB-CG 4.35Å; H49-P300 WeakPolarHBondContact ND1-CD 3.33Å; H49-S303 PolarHBondContact CE1-OG 3.28Å; H49-S303 PolarHBondContact NE2-OG 2.86Å
50L97.8Very high96.4Very high11 Ų1153 Ų536%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-106.3143.3-176.6-60179000111W43 L44 M47 D78 I81 V294W43-L50 HydrophobicContact CH2-CD1 3.8Å; W43-L50 HydrophobicContact CZ2-CD1 4.37Å; W43-L50 HydrophobicContact CZ3-CD1 4.43Å; L44-L50 HydrophobicContact CD1-CB 3.81Å; L44-L50 HydrophobicContact CD1-CD1 4.28Å; M47-L50 HydrophobicContact CB-CB 4.13Å; M47-L50 HydrophobicContact CB-CD1 3.96Å; M47-L50 HydrophobicContact CB-CG 4.08Å; M47-L50 HydrophobicContact CG-CD1 4.15Å; M47-L50 PolarHBondContact O-N 2.76Å; M47-L50 VanDerWaalsContact O-N 3.11Å; L50-D78 HydrophobicContact CD1-CB 4.01Å; L50-I81 HydrophobicContact CB-CD1 4.45Å; L50-I81 HydrophobicContact CD1-CD1 4.5Å; L50-I81 HydrophobicContact CD2-CB 4.16Å; L50-I81 HydrophobicContact CD2-CD1 4.38Å; L50-I81 HydrophobicContact CD2-CG2 3.92Å; L50-V294 HydrophobicContact CD2-CG2 4.24Å
51S96.7Very high96.4Very high68 Ų6853 Ų5348%0.47629%0.285SS..EExtended strand (participates in β ladder)trans-133.6139.1165.4-61.70000108.1M292 A293S51-M292 CarbonylContact O-C 3.58Å; S51-M292 VanDerWaalsContact O-CA 3.23Å; S51-M292 WeakPolarHBondContact O-CA 3.26Å; S51-A293 PolarHBondContact N-O 2.86Å; S51-A293 PolarHBondContact O-N 3.24Å
52C96Very high96.5Very high23 Ų2350.7 Ų50.716%0.15528%0.275CS..  trans-156.9148.4177.3174.90000108.2L44 I81 G291 M292L44-C52 HydrophobicContact CD1-CB 4.4Å; L44-C52 HydrophobicContact CD2-CB 3.81Å; C52-I81 HydrophobicContact CB-CD1 3.92Å; C52-G291 WeakPolarHBondContact CA-O 3.43Å; C52-M292 HydrophobicContact CB-CG 4.27Å
53A94.2Very high96.5Very high41 Ų4141.9 Ų41.934%0.33924%0.241SC..  trans-58.9143.6173.700000111.3D55 I58A53-D55 VanDerWaalsContact C-N 3.31Å; A53-D55 PolarHBondContact O-N 3.07Å; A53-I58 HydrophobicContact CB-CD1 4.19Å
54D92.9Very high96.5Very high121 Ų12141.1 Ų41.165%0.64724%0.239SC*.  trans-79.879.4173.8-173.719.3000110.4K41K41-D54 VanDerWaalsContact CD-OD1 3.25Å; K41-D54 WeakPolarHBondContact CD-OD1 3.45Å; K41-D54 WeakPolarHBondContact CE-OD1 3.31Å; K41-D54 IonicContact NZ-OD1 3.65Å; K41-D54 PolarHBondContact NZ-OD1 3.12Å; K41-D54 IonicContact NZ-OD2 2.65Å
55D94.5Very high96.5Very high37 Ų3742 Ų4220%0.19824%0.242CC..  trans-132.1116.7-179.9-168.9-38.3000110.8A53 R57 I58 F59 L288A53-D55 VanDerWaalsContact C-N 3.31Å; A53-D55 PolarHBondContact O-N 3.07Å; D55-R57 PolarHBondContact O-N 2.83Å; D55-R57 VanDerWaalsContact O-N 3.08Å; D55-R57 WeakPolarHBondContact OD1-CB 3.3Å; D55-R57 VanDerWaalsContact OD1-CG 3.29Å; D55-R57 WeakPolarHBondContact OD1-CG 3.4Å; D55-R57 IonicContact OD1-CZ 3.91Å; D55-R57 PolarHBondContact OD1-N 3.05Å; D55-R57 IonicContact OD1-NE 3.06Å; D55-R57 PolarHBondContact OD1-NE 2.93Å; D55-R57 IonicContact OD1-NH2 3.82Å; D55-R57 IonicContact OD2-CZ 3.4Å; D55-R57 VanDerWaalsContact OD2-CZ 3.27Å; D55-R57 IonicContact OD2-NE 3.97Å; D55-R57 PolarHBondContact OD2-NE 2.88Å; D55-R57 VanDerWaalsContact OD2-NE 3.1Å; D55-R57 IonicContact OD2-NH2 2.65Å; D55-R57 PolarHBondContact OD2-NH2 2.91Å; D55-I58 HydrophobicContact CB-CD1 3.97Å; D55-I58 HydrophobicContact CB-CG1 4.15Å; D55-I58 WeakPolarHBondContact O-CB 3.5Å; D55-I58 PolarHBondContact O-N 3.14Å; D55-F59 VanDerWaalsContact O-CD2 3.27Å; D55-F59 WeakPolarHBondContact O-CD2 3.48Å; D55-L288 HydrophobicContact CB-CD1 4.34Å; D55-L288 VanDerWaalsContact OD2-CD1 3.31Å; D55-L288 WeakPolarHBondContact OD2-CD1 3.42Å
56D95.9Very high96.6Very high65 Ų6536.7 Ų36.735%0.34821%0.206SC..Hα-helixtrans-55.5-30.1-178.5-72.1-8.9000112.9L37 K41 I58 F59 L60L37-D56 HydrophobicContact CD1-CB 3.99Å; L37-D56 HydrophobicContact CD2-CB 4.08Å; K41-D56 WeakPolarHBondContact CE-OD1 3.34Å; K41-D56 IonicContact NZ-OD1 3.88Å; K41-D56 PolarHBondContact NZ-OD1 2.89Å; D56-I58 VanDerWaalsContact C-N 3.31Å; D56-I58 PolarHBondContact O-N 2.77Å; D56-F59 PolarHBondContact O-N 2.85Å; D56-L60 WeakPolarHBondContact O-CB 3.3Å; D56-L60 VanDerWaalsContact O-CG 3.26Å; D56-L60 WeakPolarHBondContact O-CG 3.44Å; D56-L60 PolarHBondContact O-N 3.04Å
57R95.1Very high96.7Very high121 Ų12137.3 Ų37.346%0.45720%0.2SC..Hα-helixtrans-65.3-35.1-179.8-58.2173.7-68.9176.5-0.3111.8D55 L288D55-R57 PolarHBondContact O-N 2.83Å; D55-R57 VanDerWaalsContact O-N 3.08Å; D55-R57 WeakPolarHBondContact OD1-CB 3.3Å; D55-R57 VanDerWaalsContact OD1-CG 3.29Å; D55-R57 WeakPolarHBondContact OD1-CG 3.4Å; D55-R57 IonicContact OD1-CZ 3.91Å; D55-R57 PolarHBondContact OD1-N 3.05Å; D55-R57 IonicContact OD1-NE 3.06Å; D55-R57 PolarHBondContact OD1-NE 2.93Å; D55-R57 IonicContact OD1-NH2 3.82Å; D55-R57 IonicContact OD2-CZ 3.4Å; D55-R57 VanDerWaalsContact OD2-CZ 3.27Å; D55-R57 IonicContact OD2-NE 3.97Å; D55-R57 PolarHBondContact OD2-NE 2.88Å; D55-R57 VanDerWaalsContact OD2-NE 3.1Å; D55-R57 IonicContact OD2-NH2 2.65Å; D55-R57 PolarHBondContact OD2-NH2 2.91Å; R57-L288 HydrophobicContact CB-CD1 3.97Å; R57-L288 HydrophobicContact CB-CD2 3.83Å
58I96.5Very high96.7Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-60.9-57.1174.1-64.2171.9000108.2A53 D55 D56 L60 A61 F62 L288 W289 M292A53-I58 HydrophobicContact CB-CD1 4.19Å; D55-I58 HydrophobicContact CB-CD1 3.97Å; D55-I58 HydrophobicContact CB-CG1 4.15Å; D55-I58 WeakPolarHBondContact O-CB 3.5Å; D55-I58 PolarHBondContact O-N 3.14Å; D56-I58 VanDerWaalsContact C-N 3.31Å; D56-I58 PolarHBondContact O-N 2.77Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.45Å; I58-A61 WeakPolarHBondContact O-CB 3.22Å; I58-A61 PolarHBondContact O-N 2.8Å; I58-F62 HydrophobicContact CG2-CD2 4.41Å; I58-F62 HydrophobicContact CG2-CE2 3.92Å; I58-F62 WeakPolarHBondContact O-CD2 3.44Å; I58-L288 HydrophobicContact CD1-CD1 4.49Å; I58-L288 WeakPolarHBondContact CD1-O 3.34Å; I58-L288 HydrophobicContact CG1-CD1 3.82Å; I58-L288 HydrophobicContact CG1-CD2 4.26Å; I58-L288 HydrophobicContact CG1-CG 3.71Å; I58-W289 HydrophobicContact CB-CZ3 4.44Å; I58-W289 HydrophobicContact CG1-CE3 4.45Å; I58-W289 HydrophobicContact CG1-CZ3 4.45Å; I58-W289 HydrophobicContact CG2-CE3 4.37Å; I58-W289 HydrophobicContact CG2-CZ3 4.08Å; I58-M292 HydrophobicContact CD1-CE 4.22Å; I58-M292 HydrophobicContact CG2-CE 3.81Å
59F97.6Very high96.8Very high1 Ų135.8 Ų35.80%0.00419%0.187CC..Hα-helixtrans-65.6-35.6-172.5-55.5-54.3000113L37 I40 K41 L44 D55 D56 A61 F62 L63 L77L37-F59 HydrophobicContact CD2-CB 3.73Å; L37-F59 HydrophobicContact CD2-CD2 4.48Å; I40-F59 HydrophobicContact CD1-CB 4.42Å; I40-F59 HydrophobicContact CD1-CD1 4.21Å; I40-F59 HydrophobicContact CG1-CD1 4.34Å; I40-F59 HydrophobicContact CG2-CB 3.81Å; I40-F59 HydrophobicContact CG2-CD1 4.15Å; I40-F59 HydrophobicContact CG2-CG 3.91Å; K41-F59 HydrophobicContact CD-CE2 4.38Å; K41-F59 HydrophobicContact CG-CD2 4.09Å; K41-F59 HydrophobicContact CG-CE2 3.74Å; K41-F59 HydrophobicContact CG-CZ 4.29Å; L44-F59 HydrophobicContact CD2-CE1 3.94Å; L44-F59 HydrophobicContact CD2-CZ 3.85Å; D55-F59 VanDerWaalsContact O-CD2 3.27Å; D55-F59 WeakPolarHBondContact O-CD2 3.48Å; D56-F59 PolarHBondContact O-N 2.85Å; F59-A61 VanDerWaalsContact C-N 3.27Å; F59-A61 PolarHBondContact O-N 2.89Å; F59-F62 PolarHBondContact O-N 2.76Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3.3Å; F59-L77 HydrophobicContact CD1-CD2 3.86Å; F59-L77 HydrophobicContact CE1-CD2 3.91Å
60L97.1Very high96.9Very high28 Ų2838.1 Ų38.115%0.14720%0.198CC..Hα-helixtrans-58.4-37.6175.5-79.2173.5000112.5I33 L37 D56 I58 F62 L63 R64I33-L60 HydrophobicContact CG2-CD2 3.92Å; L37-L60 HydrophobicContact CD2-CD2 4.43Å; L37-L60 HydrophobicContact CD2-CG 4.23Å; D56-L60 WeakPolarHBondContact O-CB 3.3Å; D56-L60 VanDerWaalsContact O-CG 3.26Å; D56-L60 WeakPolarHBondContact O-CG 3.44Å; D56-L60 PolarHBondContact O-N 3.04Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.45Å; L60-F62 PolarHBondContact O-N 3.22Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-R64 WeakPolarHBondContact O-CB 3.44Å; L60-R64 VanDerWaalsContact O-CG 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.45Å; L60-R64 PolarHBondContact O-N 2.93Å
61A97.8Very high96.8Very high0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-60.7-45.6178.500000111.4I58 F59 Q65 Q162 P201 W289I58-A61 WeakPolarHBondContact O-CB 3.22Å; I58-A61 PolarHBondContact O-N 2.8Å; F59-A61 VanDerWaalsContact C-N 3.27Å; F59-A61 PolarHBondContact O-N 2.89Å; A61-Q65 WeakPolarHBondContact O-CB 3.43Å; A61-Q65 PolarHBondContact O-N 2.73Å; A61-Q65 VanDerWaalsContact O-N 3.1Å; A61-Q162 HydrophobicContact CB-CG 4.23Å; A61-P201 HydrophobicContact CB-CG 4.02Å; A61-W289 HydrophobicContact CB-CH2 4.08Å
62F98.6Very high96.8Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-69.3-43.9178.3-63.1-88.2000112.3I58 F59 L60 R64 Q65 A66 A73 R76 L77 F80 P201 W289I58-F62 HydrophobicContact CG2-CD2 4.41Å; I58-F62 HydrophobicContact CG2-CE2 3.92Å; I58-F62 WeakPolarHBondContact O-CD2 3.44Å; F59-F62 PolarHBondContact O-N 2.76Å; L60-F62 PolarHBondContact O-N 3.22Å; F62-R64 PolarHBondContact O-N 2.94Å; F62-Q65 PolarHBondContact O-N 3.4Å; F62-A66 VanDerWaalsContact O-CB 3.28Å; F62-A66 WeakPolarHBondContact O-CB 3.22Å; F62-A66 PolarHBondContact O-N 3.47Å; F62-A73 HydrophobicContact CB-CB 4.29Å; F62-R76 HydrophobicContact CD1-CB 4.14Å; F62-R76 HydrophobicContact CD1-CG 3.89Å; F62-R76 HydrophobicContact CE1-CG 4.07Å; F62-L77 HydrophobicContact CD1-CB 3.94Å; F62-L77 HydrophobicContact CD2-CB 4.46Å; F62-L77 HydrophobicContact CD2-CD1 4.02Å; F62-L77 HydrophobicContact CE1-CB 4.1Å; F62-L77 HydrophobicContact CE1-CD1 4.18Å; F62-L77 HydrophobicContact CE2-CD1 3.59Å; F62-L77 HydrophobicContact CG-CB 4.15Å; F62-L77 HydrophobicContact CZ-CB 4.47Å; F62-L77 HydrophobicContact CZ-CD1 3.68Å; F62-F80 HydrophobicContact CE1-CB 3.77Å; F62-F80 HydrophobicContact CE1-CD2 4.44Å; F62-F80 HydrophobicContact CE1-CG 4.06Å; F62-F80 HydrophobicContact CZ-CB 3.83Å; F62-F80 AromaticContact CZ-CD1 3.81Å; F62-F80 HydrophobicContact CZ-CD1 3.81Å; F62-F80 HydrophobicContact CZ-CD2 4.18Å; F62-F80 HydrophobicContact CZ-CE1 4.36Å; F62-F80 AromaticContact CZ-CG 3.69Å; F62-F80 HydrophobicContact CZ-CG 3.69Å; F62-P201 HydrophobicContact CD1-CB 3.85Å; F62-P201 HydrophobicContact CD1-CG 3.87Å; F62-P201 HydrophobicContact CD2-CG 4.35Å; F62-P201 HydrophobicContact CE1-CB 4.12Å; F62-P201 HydrophobicContact CE1-CG 3.69Å; F62-P201 HydrophobicContact CE2-CG 4.17Å; F62-P201 HydrophobicContact CG-CB 4.22Å; F62-P201 HydrophobicContact CG-CG 4.18Å; F62-P201 HydrophobicContact CZ-CG 3.85Å; F62-W289 HydrophobicContact CE2-CZ3 4.07Å
63L98.5Very high96.9Very high0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-60.1-46.8177.3-72.5170.4000111.5H36 L37 I40 F59 L60 Q65 A66 K67 Y68 A73H36-L63 HydrophobicContact CB-CD1 3.98Å; H36-L63 HydrophobicContact CB-CD2 4.33Å; L37-L63 HydrophobicContact CD2-CD1 4.18Å; I40-L63 HydrophobicContact CD1-CG 4.49Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3.3Å; L60-L63 PolarHBondContact O-N 2.92Å; L63-Q65 PolarHBondContact O-N 3.14Å; L63-A66 CarbonylContact O-C 3.58Å; L63-A66 PolarHBondContact O-N 3.32Å; L63-K67 PolarHBondContact O-N 2.97Å; L63-Y68 HydrophobicContact CB-CD1 3.96Å; L63-Y68 HydrophobicContact CB-CE1 3.86Å; L63-Y68 HydrophobicContact CB-CG 4.5Å; L63-Y68 HydrophobicContact CD1-CD1 4.41Å; L63-Y68 HydrophobicContact CD1-CE1 4.14Å; L63-Y68 HydrophobicContact CD2-CD1 4.18Å; L63-Y68 HydrophobicContact CG-CD1 4.42Å; L63-Y68 HydrophobicContact CG-CE1 4.46Å; L63-Y68 PolarHBondContact O-N 3.41Å; L63-A73 HydrophobicContact CD2-CB 4.22Å
64R98Very high97.1Very high22 Ų2241.2 Ų41.28%0.08321%0.205CC..Hα-helixtrans-62.1-43.8177.3-73.9171.2172.5154.80.4111.9V26 E28 L60 F62 A66 K67V26-R64 WeakPolarHBondContact CB-O 3.4Å; V26-R64 WeakPolarHBondContact CG1-O 3.29Å; V26-R64 HydrophobicContact CG2-CB 4.41Å; V26-R64 HydrophobicContact CG2-CG 4.29Å; E28-R64 IonicContact OE1-NH2 2.84Å; E28-R64 IonicContact OE2-CZ 2.91Å; E28-R64 IonicContact OE2-NE 2.85Å; E28-R64 PolarHBondContact OE2-NE 3.09Å; E28-R64 IonicContact OE2-NH2 3.36Å; E28-R64 PolarHBondContact OE2-NH2 2.76Å; L60-R64 WeakPolarHBondContact O-CB 3.44Å; L60-R64 VanDerWaalsContact O-CG 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.45Å; L60-R64 PolarHBondContact O-N 2.93Å; F62-R64 PolarHBondContact O-N 2.94Å; R64-A66 VanDerWaalsContact C-N 3.33Å; R64-A66 PolarHBondContact O-N 2.84Å; R64-K67 PolarHBondContact O-N 3.46Å
65Q98Very high97.3Very high35 Ų3538.1 Ų38.116%0.16419%0.187CC..Hα-helixtrans-63.8-41179.1-172.2-83.4-7.400111.8A61 F62 L63 K67 R76 P201 R203A61-Q65 WeakPolarHBondContact O-CB 3.43Å; A61-Q65 PolarHBondContact O-N 2.73Å; A61-Q65 VanDerWaalsContact O-N 3.1Å; F62-Q65 PolarHBondContact O-N 3.4Å; L63-Q65 PolarHBondContact O-N 3.14Å; Q65-K67 PolarHBondContact O-N 3.11Å; Q65-R76 VanDerWaalsContact CD-NH1 3.33Å; Q65-R76 VanDerWaalsContact NE2-CZ 3.34Å; Q65-P201 HydrophobicContact CB-CB 3.74Å; Q65-P201 WeakPolarHBondContact CB-O 3.29Å; Q65-P201 HydrophobicContact CG-CB 4.14Å; Q65-P201 WeakPolarHBondContact CG-O 3.08Å; Q65-R203 HydrophobicContact CB-CG 4.49Å; Q65-R203 HydrophobicContact CG-CG 4.13Å
66A98Very high97.4Very high3 Ų337.3 Ų37.33%0.02518%0.181CC..THydrogen-bonded Turntrans-80.72.6178.800000113.7F62 L63 R64 Y68 N69 E72 A73F62-A66 VanDerWaalsContact O-CB 3.28Å; F62-A66 WeakPolarHBondContact O-CB 3.22Å; F62-A66 PolarHBondContact O-N 3.47Å; L63-A66 CarbonylContact O-C 3.58Å; L63-A66 PolarHBondContact O-N 3.32Å; R64-A66 VanDerWaalsContact C-N 3.33Å; R64-A66 PolarHBondContact O-N 2.84Å; A66-Y68 PolarHBondContact O-N 3.35Å; A66-N69 WeakPolarHBondContact CB-O 3.32Å; A66-N69 VanDerWaalsContact O-CB 3.29Å; A66-N69 WeakPolarHBondContact O-CB 3.41Å; A66-N69 PolarHBondContact O-N 3.32Å; A66-E72 HydrophobicContact CB-CB 3.84Å; A66-A73 HydrophobicContact CB-CB 3.79Å
67K97.6Very high97.5Very high86 Ų8634.2 Ų34.237%0.37416%0.164SC..THydrogen-bonded Turntrans51.641.4-174-47.8-176.6177.5-177.70113E25 V26 R27 L63 R64 Q65 N69E25-K67 WeakPolarHBondContact O-CE 3.19Å; V26-K67 CarbonylContact O-C 3.53Å; V26-K67 WeakPolarHBondContact O-CA 3.17Å; R27-K67 HydrophobicContact CG-CB 4.5Å; L63-K67 PolarHBondContact O-N 2.97Å; R64-K67 PolarHBondContact O-N 3.46Å; Q65-K67 PolarHBondContact O-N 3.11Å; K67-N69 PolarHBondContact O-N 3.32Å
68Y97.6Very high97.6Very high19 Ų1928.4 Ų28.48%0.07514%0.143CC..THydrogen-bonded Turntrans61.515.8-176.7-66.2-95.4000115.2V26 E28 H36 L63 A66 H70V26-Y68 WeakPolarHBondContact O-CD2 3.27Å; E28-Y68 VanDerWaalsContact CA-CE2 3.49Å; E28-Y68 HydrophobicContact CB-CE2 3.68Å; E28-Y68 HydrophobicContact CG-CE2 3.98Å; E28-Y68 WeakPolarHBondContact CG-OH 3.42Å; E28-Y68 PolarHBondContact OE2-OH 2.83Å; H36-Y68 HydrophobicContact CB-CD1 3.96Å; H36-Y68 HydrophobicContact CB-CE1 4.22Å; H36-Y68 AromaticContact CD2-CD1 3.2Å; H36-Y68 WeakPolarHBondContact CD2-CD1 3.19Å; H36-Y68 AromaticContact CD2-CE1 3.69Å; H36-Y68 AromaticContact CG-CD1 3.6Å; H36-Y68 AromaticContact NE2-CD1 3.72Å; L63-Y68 HydrophobicContact CB-CD1 3.96Å; L63-Y68 HydrophobicContact CB-CE1 3.86Å; L63-Y68 HydrophobicContact CB-CG 4.5Å; L63-Y68 HydrophobicContact CD1-CD1 4.41Å; L63-Y68 HydrophobicContact CD1-CE1 4.14Å; L63-Y68 HydrophobicContact CD2-CD1 4.18Å; L63-Y68 HydrophobicContact CG-CD1 4.42Å; L63-Y68 HydrophobicContact CG-CE1 4.46Å; L63-Y68 PolarHBondContact O-N 3.41Å; A66-Y68 PolarHBondContact O-N 3.35Å; Y68-H70 PolarHBondContact O-CD2 3.48Å; Y68-H70 VanDerWaalsContact O-CD2 3.28Å; Y68-H70 PolarHBondContact O-N 3.4Å
69N98.1Very high97.7Very high70 Ų7028.4 Ų28.437%0.37414%0.143SC..  trans-71115.9163.5-177.5-43.9000109.3A66 K67 S71 E72 A73A66-N69 WeakPolarHBondContact CB-O 3.32Å; A66-N69 VanDerWaalsContact O-CB 3.29Å; A66-N69 WeakPolarHBondContact O-CB 3.41Å; A66-N69 PolarHBondContact O-N 3.32Å; K67-N69 PolarHBondContact O-N 3.32Å; N69-S71 PolarHBondContact OD1-N 3.18Å; N69-S71 VanDerWaalsContact OD1-N 3.11Å; N69-E72 HydrophobicContact CB-CB 4.13Å; N69-E72 HydrophobicContact CB-CG 4.25Å; N69-E72 PolarHBondContact OD1-N 3.41Å; N69-E72 VanDerWaalsContact OD1-N 3.1Å; N69-A73 WeakPolarHBondContact O-CB 3.46Å; N69-A73 PolarHBondContact O-N 2.73Å
70H97.8Very high97.7Very high49 Ų4928.4 Ų28.423%0.22714%0.143CC..Hα-helixtrans-66.9-46.8-174.1-73.6-166.2000112.7H36 S39 Y68 E72 A73 Q74H36-H70 AromaticContact CE1-NE2 3.85Å; H36-H70 AromaticContact CG-NE2 3.74Å; H36-H70 AromaticContact ND1-CE1 3.59Å; H36-H70 AromaticContact ND1-NE2 2.93Å; H36-H70 PolarHBondContact ND1-NE2 2.75Å; S39-H70 PolarHBondContact OG-CE1 3.39Å; S39-H70 VanDerWaalsContact OG-CE1 3.3Å; S39-H70 PolarHBondContact OG-ND1 3.14Å; Y68-H70 PolarHBondContact O-CD2 3.48Å; Y68-H70 VanDerWaalsContact O-CD2 3.28Å; Y68-H70 PolarHBondContact O-N 3.4Å; H70-E72 VanDerWaalsContact C-N 3.29Å; H70-E72 PolarHBondContact O-N 3.12Å; H70-A73 PolarHBondContact O-N 2.82Å; H70-Q74 VanDerWaalsContact O-CB 3.28Å; H70-Q74 WeakPolarHBondContact O-CB 3.31Å; H70-Q74 WeakPolarHBondContact O-CG 3.26Å; H70-Q74 PolarHBondContact O-N 3.41Å
71S97Very high97.7Very high86 Ų8627.1 Ų27.160%0.60114%0.136SC*.Hα-helixtrans-60.8-40.1-179.5-54.70000111.8N69 M75N69-S71 PolarHBondContact OD1-N 3.18Å; N69-S71 VanDerWaalsContact OD1-N 3.11Å; S71-M75 VanDerWaalsContact O-CB 3.27Å; S71-M75 WeakPolarHBondContact O-CB 3.33Å; S71-M75 PolarHBondContact O-N 3.12Å
72E96.5Very high97.7Very high88 Ų8827.2 Ų27.241%0.41114%0.137SC..Hα-helixtrans-67.7-41.6175.5-72.6-175.4-154.600112.8A66 N69 H70 R76A66-E72 HydrophobicContact CB-CB 3.84Å; N69-E72 HydrophobicContact CB-CB 4.13Å; N69-E72 HydrophobicContact CB-CG 4.25Å; N69-E72 PolarHBondContact OD1-N 3.41Å; N69-E72 VanDerWaalsContact OD1-N 3.1Å; H70-E72 VanDerWaalsContact C-N 3.29Å; H70-E72 PolarHBondContact O-N 3.12Å; E72-R76 WeakPolarHBondContact O-CB 3.42Å; E72-R76 PolarHBondContact O-N 2.92Å; E72-R76 VanDerWaalsContact O-N 3.13Å
73A98.1Very high97.6Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-65.4-45.3178.500000111.7I40 F62 L63 A66 N69 H70 R76 L77I40-A73 HydrophobicContact CD1-CB 4.35Å; F62-A73 HydrophobicContact CB-CB 4.29Å; L63-A73 HydrophobicContact CD2-CB 4.22Å; A66-A73 HydrophobicContact CB-CB 3.79Å; N69-A73 WeakPolarHBondContact O-CB 3.46Å; N69-A73 PolarHBondContact O-N 2.73Å; H70-A73 PolarHBondContact O-N 2.82Å; A73-R76 PolarHBondContact O-N 3.38Å; A73-L77 WeakPolarHBondContact O-CB 3.37Å; A73-L77 PolarHBondContact O-N 3.18Å
74Q97.6Very high97.5Very high35 Ų3528.5 Ų28.516%0.16414%0.142CC..Hα-helixtrans-62.2-49.7178.7-71.6168-5.300111.3W43 H70 R76 L77 D78W43-Q74 HydrophobicContact CD2-CB 3.94Å; W43-Q74 HydrophobicContact CD2-CG 3.47Å; W43-Q74 VanDerWaalsContact CD2-CG 3.47Å; W43-Q74 HydrophobicContact CE3-CB 4.21Å; W43-Q74 HydrophobicContact CE3-CG 3.76Å; W43-Q74 HydrophobicContact CG-CG 3.81Å; W43-Q74 HydrophobicContact CH2-CB 3.91Å; W43-Q74 HydrophobicContact CH2-CG 4.38Å; W43-Q74 VanDerWaalsContact CH2-O 3.24Å; W43-Q74 WeakPolarHBondContact CH2-O 3.29Å; W43-Q74 HydrophobicContact CZ2-CB 3.61Å; W43-Q74 HydrophobicContact CZ2-CG 4.14Å; W43-Q74 HydrophobicContact CZ3-CB 4.21Å; W43-Q74 HydrophobicContact CZ3-CG 4.21Å; H70-Q74 VanDerWaalsContact O-CB 3.28Å; H70-Q74 WeakPolarHBondContact O-CB 3.31Å; H70-Q74 WeakPolarHBondContact O-CG 3.26Å; H70-Q74 PolarHBondContact O-N 3.41Å; Q74-R76 VanDerWaalsContact C-N 3.3Å; Q74-R76 PolarHBondContact O-N 3.22Å; Q74-L77 PolarHBondContact O-N 3.31Å; Q74-D78 PolarHBondContact O-N 2.77Å
75M97.1Very high97.4Very high56 Ų5629.2 Ų29.228%0.27615%0.149SC..Hα-helixtrans-55.9-45.8176.2173.4177.972.300111.8S71 N79 L306S71-M75 VanDerWaalsContact O-CB 3.27Å; S71-M75 WeakPolarHBondContact O-CB 3.33Å; S71-M75 PolarHBondContact O-N 3.12Å; M75-N79 WeakPolarHBondContact O-CB 3.44Å; M75-N79 VanDerWaalsContact O-CG 3.26Å; M75-N79 PolarHBondContact O-N 3.11Å; M75-L306 HydrophobicContact CB-CD2 4.35Å; M75-L306 HydrophobicContact CG-CB 4.04Å; M75-L306 HydrophobicContact CG-CD1 4.32Å; M75-L306 HydrophobicContact CG-CD2 3.87Å; M75-L306 HydrophobicContact CG-CG 4.28Å; M75-L306 HydrophobicContact SD-CD2 4.16Å
76R97.5Very high97.3Very high19 Ų1927.7 Ų27.77%0.07214%0.141CC..Hα-helixtrans-68.7-37.4-179.1-173.7161-74.498.913.1112.3F62 Q65 E72 A73 Q74 N79 F80 A199F62-R76 HydrophobicContact CD1-CB 4.14Å; F62-R76 HydrophobicContact CD1-CG 3.89Å; F62-R76 HydrophobicContact CE1-CG 4.07Å; Q65-R76 VanDerWaalsContact CD-NH1 3.33Å; Q65-R76 VanDerWaalsContact NE2-CZ 3.34Å; E72-R76 WeakPolarHBondContact O-CB 3.42Å; E72-R76 PolarHBondContact O-N 2.92Å; E72-R76 VanDerWaalsContact O-N 3.13Å; A73-R76 PolarHBondContact O-N 3.38Å; Q74-R76 VanDerWaalsContact C-N 3.3Å; Q74-R76 PolarHBondContact O-N 3.22Å; R76-N79 PolarHBondContact O-N 2.66Å; R76-F80 VanDerWaalsContact O-CB 3.29Å; R76-F80 WeakPolarHBondContact O-CB 3.49Å; R76-F80 PolarHBondContact O-N 3.38Å; R76-A199 WeakPolarHBondContact CG-O 3.21Å
77L97.9Very high97.2Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-66.2-43.2175.817855.8000112I40 W43 F59 F62 A73 Q74 F80 I81I40-L77 HydrophobicContact CD1-CD2 4.09Å; I40-L77 HydrophobicContact CG1-CD2 4.37Å; W43-L77 HydrophobicContact CZ3-CB 4.44Å; W43-L77 HydrophobicContact CZ3-CD2 3.89Å; W43-L77 HydrophobicContact CZ3-CG 4.26Å; F59-L77 HydrophobicContact CD1-CD2 3.86Å; F59-L77 HydrophobicContact CE1-CD2 3.91Å; F62-L77 HydrophobicContact CD1-CB 3.94Å; F62-L77 HydrophobicContact CD2-CB 4.46Å; F62-L77 HydrophobicContact CD2-CD1 4.02Å; F62-L77 HydrophobicContact CE1-CB 4.1Å; F62-L77 HydrophobicContact CE1-CD1 4.18Å; F62-L77 HydrophobicContact CE2-CD1 3.59Å; F62-L77 HydrophobicContact CG-CB 4.15Å; F62-L77 HydrophobicContact CZ-CB 4.47Å; F62-L77 HydrophobicContact CZ-CD1 3.68Å; A73-L77 WeakPolarHBondContact O-CB 3.37Å; A73-L77 PolarHBondContact O-N 3.18Å; Q74-L77 PolarHBondContact O-N 3.31Å; L77-F80 PolarHBondContact O-N 2.91Å; L77-I81 HydrophobicContact CD1-CD1 3.79Å; L77-I81 HydrophobicContact CD1-CG1 4.09Å; L77-I81 HydrophobicContact CG-CD1 4.05Å; L77-I81 WeakPolarHBondContact O-CG1 3.35Å; L77-I81 PolarHBondContact O-N 2.78Å
78D97.8Very high96.9Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-56.8-51.3172.2-175.5-50.2000110.4W43 H49 L50 Q74 F80 I81 T82 R299 S303 L306W43-D78 HydrophobicContact CH2-CB 4.35Å; H49-D78 IonicContact CD2-OD2 4Å; H49-D78 IonicContact CE1-OD2 3.58Å; H49-D78 IonicContact NE2-OD2 3.88Å; H49-D78 PolarHBondContact NE2-OD2 2.88Å; L50-D78 HydrophobicContact CD1-CB 4.01Å; Q74-D78 PolarHBondContact O-N 2.77Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 3.15Å; D78-I81 PolarHBondContact O-N 2.97Å; D78-T82 VanDerWaalsContact O-CB 3.24Å; D78-T82 WeakPolarHBondContact O-CB 3.46Å; D78-T82 PolarHBondContact O-N 3.46Å; D78-T82 PolarHBondContact O-OG1 2.78Å; D78-T82 PolarHBondContact OD1-OG1 2.91Å; D78-T82 VanDerWaalsContact OD1-OG1 3.09Å; D78-R299 IonicContact OD1-NE 3.98Å; D78-R299 IonicContact OD1-NH2 2.64Å; D78-R299 PolarHBondContact OD1-NH2 3.39Å; D78-S303 WeakPolarHBondContact OD2-CB 3.29Å; D78-S303 PolarHBondContact OD2-OG 3.23Å; D78-L306 HydrophobicContact CB-CD1 4.08Å
79N97.5Very high96.7Very high0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-60.6-38.4178.9-72.7-12.3000112.5M75 R76 L83 E198 A199 L306 L307M75-N79 WeakPolarHBondContact O-CB 3.44Å; M75-N79 VanDerWaalsContact O-CG 3.26Å; M75-N79 PolarHBondContact O-N 3.11Å; R76-N79 PolarHBondContact O-N 2.66Å; N79-L83 WeakPolarHBondContact O-CB 3.31Å; N79-L83 WeakPolarHBondContact O-CG 3.03Å; N79-L83 PolarHBondContact O-N 2.87Å; N79-E198 VanDerWaalsContact CB-O 3.3Å; N79-E198 WeakPolarHBondContact CB-O 3.45Å; N79-E198 PolarHBondContact ND2-O 2.95Å; N79-A199 HydrophobicContact CB-CB 4.45Å; N79-L306 PolarHBondContact ND2-O 2.86Å; N79-L306 WeakPolarHBondContact OD1-CB 3.41Å; N79-L307 HydrophobicContact CB-CD2 3.81Å; N79-L307 VanDerWaalsContact OD1-CD2 3.32Å; N79-L307 WeakPolarHBondContact OD1-CD2 3.35Å; N79-L307 WeakPolarHBondContact OD1-CG 3.5Å
80F97.8Very high96.4Very high1 Ų135.2 Ų35.20%0.00419%0.193CC..Hα-helixtrans-65.9-47.9178.1-174.3-92.6000112.3F62 R76 L77 D78 R84 A199 Y200 W289 M292F62-F80 HydrophobicContact CE1-CB 3.77Å; F62-F80 HydrophobicContact CE1-CD2 4.44Å; F62-F80 HydrophobicContact CE1-CG 4.06Å; F62-F80 HydrophobicContact CZ-CB 3.83Å; F62-F80 AromaticContact CZ-CD1 3.81Å; F62-F80 HydrophobicContact CZ-CD1 3.81Å; F62-F80 HydrophobicContact CZ-CD2 4.18Å; F62-F80 HydrophobicContact CZ-CE1 4.36Å; F62-F80 AromaticContact CZ-CG 3.69Å; F62-F80 HydrophobicContact CZ-CG 3.69Å; R76-F80 VanDerWaalsContact O-CB 3.29Å; R76-F80 WeakPolarHBondContact O-CB 3.49Å; R76-F80 PolarHBondContact O-N 3.38Å; L77-F80 PolarHBondContact O-N 2.91Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 3.15Å; F80-R84 WeakPolarHBondContact O-CB 3.32Å; F80-R84 PolarHBondContact O-N 2.93Å; F80-A199 HydrophobicContact CB-CB 4.2Å; F80-A199 HydrophobicContact CD2-CB 4.3Å; F80-A199 WeakPolarHBondContact CD2-O 3.27Å; F80-Y200 AromaticContact CE2-CD1 3.98Å; F80-Y200 HydrophobicContact CE2-CD1 3.98Å; F80-Y200 HydrophobicContact CE2-CD2 4.27Å; F80-Y200 AromaticContact CE2-CE1 3.98Å; F80-Y200 HydrophobicContact CE2-CE1 3.98Å; F80-Y200 HydrophobicContact CE2-CE2 4.29Å; F80-Y200 HydrophobicContact CE2-CG 4.13Å; F80-W289 HydrophobicContact CE1-CB 4.44Å; F80-W289 HydrophobicContact CE1-CD2 4.21Å; F80-W289 AromaticContact CE1-CE3 3.74Å; F80-W289 HydrophobicContact CE1-CE3 3.74Å; F80-W289 HydrophobicContact CE1-CZ3 4.44Å; F80-W289 HydrophobicContact CZ-CD2 4.01Å; F80-W289 AromaticContact CZ-CE3 3.85Å; F80-W289 HydrophobicContact CZ-CE3 3.85Å; F80-W289 HydrophobicContact CZ-CG 4.35Å; F80-W289 HydrophobicContact CZ-CZ3 4.4Å; F80-M292 HydrophobicContact CD1-CE 4.14Å; F80-M292 HydrophobicContact CD1-SD 3.81Å; F80-M292 HydrophobicContact CE1-CE 3.92Å; F80-M292 HydrophobicContact CE1-SD 3.68Å
81I97.8Very high96.3Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-64.2-47.9176.5-66.1165.5000109.7L44 L50 C52 L77 D78 R84 T85 M292 A293 V294L44-I81 HydrophobicContact CD1-CD1 4.45Å; L50-I81 HydrophobicContact CB-CD1 4.45Å; L50-I81 HydrophobicContact CD1-CD1 4.5Å; L50-I81 HydrophobicContact CD2-CB 4.16Å; L50-I81 HydrophobicContact CD2-CD1 4.38Å; L50-I81 HydrophobicContact CD2-CG2 3.92Å; C52-I81 HydrophobicContact CB-CD1 3.92Å; L77-I81 HydrophobicContact CD1-CD1 3.79Å; L77-I81 HydrophobicContact CD1-CG1 4.09Å; L77-I81 HydrophobicContact CG-CD1 4.05Å; L77-I81 WeakPolarHBondContact O-CG1 3.35Å; L77-I81 PolarHBondContact O-N 2.78Å; D78-I81 PolarHBondContact O-N 2.97Å; I81-R84 PolarHBondContact O-N 3.08Å; I81-T85 WeakPolarHBondContact O-CB 3.32Å; I81-T85 WeakPolarHBondContact O-CG2 3.29Å; I81-T85 PolarHBondContact O-N 3.35Å; I81-T85 PolarHBondContact O-OG1 3.42Å; I81-M292 HydrophobicContact CG1-CB 4.34Å; I81-M292 HydrophobicContact CG1-CG 4.15Å; I81-M292 HydrophobicContact CG1-SD 3.88Å; I81-M292 HydrophobicContact CG2-CB 4.31Å; I81-A293 WeakPolarHBondContact CG2-O 3.49Å; I81-V294 HydrophobicContact CG2-CB 4.42Å
82T97.3Very high96.2Very high3 Ų330.6 Ų30.62%0.01816%0.164CC..Hα-helixtrans-59.7-57-178.2-64.20000111.8D78 R84 T85 S86 R299 L307D78-T82 VanDerWaalsContact O-CB 3.24Å; D78-T82 WeakPolarHBondContact O-CB 3.46Å; D78-T82 PolarHBondContact O-N 3.46Å; D78-T82 PolarHBondContact O-OG1 2.78Å; D78-T82 PolarHBondContact OD1-OG1 2.91Å; D78-T82 VanDerWaalsContact OD1-OG1 3.09Å; T82-R84 PolarHBondContact O-N 2.76Å; T82-T85 PolarHBondContact O-N 3.26Å; T82-T85 VanDerWaalsContact O-N 3.15Å; T82-S86 WeakPolarHBondContact O-CB 3.42Å; T82-S86 PolarHBondContact O-N 2.99Å; T82-R299 PolarHBondContact OG1-NH2 3.47Å; T82-L307 HydrophobicContact CG2-CD1 4.15Å
83L96.2Very high96.2Very high5 Ų531 Ų313%0.02617%0.169CC..Hα-helixtrans-64.2-25.4-176.1-71.1177.8000112.2N79 S89 V91 K194 L195 A199 L307N79-L83 WeakPolarHBondContact O-CB 3.31Å; N79-L83 WeakPolarHBondContact O-CG 3.03Å; N79-L83 PolarHBondContact O-N 2.87Å; L83-S89 WeakPolarHBondContact CA-OG 3.23Å; L83-S89 WeakPolarHBondContact O-CB 3.36Å; L83-S89 PolarHBondContact O-OG 2.96Å; L83-V91 HydrophobicContact CB-CG2 4.37Å; L83-K194 HydrophobicContact CD1-CG 4.42Å; L83-L195 HydrophobicContact CB-CD2 3.98Å; L83-L195 HydrophobicContact CD1-CD2 3.92Å; L83-A199 HydrophobicContact CD1-CB 3.95Å; L83-L307 HydrophobicContact CD1-CD2 3.83Å; L83-L307 HydrophobicContact CD2-CD1 4.01Å; L83-L307 HydrophobicContact CD2-CD2 4.21Å; L83-L307 HydrophobicContact CG-CD1 4.34Å; L83-L307 HydrophobicContact CG-CD2 3.96Å
84R96.1Very high96.1Very high22 Ų2231.7 Ų31.78%0.08317%0.172CC..Hα-helixtrans-77.9-30.3177.2177.8175.6-64.3-108.5-3.7113.9F80 I81 T82 Y95 D153 Y200F80-R84 WeakPolarHBondContact O-CB 3.32Å; F80-R84 PolarHBondContact O-N 2.93Å; I81-R84 PolarHBondContact O-N 3.08Å; T82-R84 PolarHBondContact O-N 2.76Å; R84-Y95 HydrophobicContact CB-CD1 4.48Å; R84-Y95 HydrophobicContact CB-CD2 4.08Å; R84-Y95 HydrophobicContact CB-CE1 4.42Å; R84-Y95 HydrophobicContact CB-CE2 4.03Å; R84-Y95 HydrophobicContact CB-CG 4.28Å; R84-Y95 HydrophobicContact CG-CD1 3.78Å; R84-Y95 HydrophobicContact CG-CD2 3.89Å; R84-Y95 HydrophobicContact CG-CE1 4.15Å; R84-Y95 HydrophobicContact CG-CE2 4.26Å; R84-Y95 HydrophobicContact CG-CG 3.61Å; R84-Y95 VanDerWaalsContact NH2-CE1 3.27Å; R84-D153 IonicContact CZ-OD1 3.42Å; R84-D153 IonicContact CZ-OD2 2.66Å; R84-D153 IonicContact NH1-OD1 2.69Å; R84-D153 IonicContact NH1-OD2 3.18Å; R84-D153 PolarHBondContact NH1-OD2 3.29Å; R84-D153 IonicContact NH2-OD1 2.77Å; R84-D153 PolarHBondContact NH2-OD1 2.81Å; R84-D153 IonicContact NH2-OD2 3.76Å; R84-D153 PolarHBondContact NH2-OD2 2.82Å; R84-Y200 PolarHBondContact NH2-OH 2.64Å
85T96.9Very high96Very high37 Ų3731.4 Ų31.423%0.22717%0.17CC..Hα-helixtrans-129-15.9-163.164.90000114.9I81 T82 M292 V294I81-T85 WeakPolarHBondContact O-CB 3.32Å; I81-T85 WeakPolarHBondContact O-CG2 3.29Å; I81-T85 PolarHBondContact O-N 3.35Å; I81-T85 PolarHBondContact O-OG1 3.42Å; T82-T85 PolarHBondContact O-N 3.26Å; T82-T85 VanDerWaalsContact O-N 3.15Å; T85-M292 HydrophobicContact CG2-CB 4.18Å; T85-M292 WeakPolarHBondContact CG2-O 3.3Å; T85-V294 WeakPolarHBondContact OG1-CG1 3.45Å; T85-V294 PolarHBondContact OG1-N 3Å
86S96.3Very high95.9Very high2 Ų231.8 Ų31.81%0.01417%0.173CC..  trans-70129.7177.7-177.10000110.9T82 E88 S89 V92 E296T82-S86 WeakPolarHBondContact O-CB 3.42Å; T82-S86 PolarHBondContact O-N 2.99Å; S86-E88 PolarHBondContact O-N 3.09Å; S86-E88 PolarHBondContact OG-N 3.38Å; S86-E88 VanDerWaalsContact OG-N 3.16Å; S86-S89 VanDerWaalsContact O-CB 3.26Å; S86-S89 WeakPolarHBondContact O-CB 3.36Å; S86-S89 PolarHBondContact O-N 3.09Å; S86-V92 VanDerWaalsContact O-CB 3.32Å; S86-V92 WeakPolarHBondContact O-CB 3.46Å; S86-V92 WeakPolarHBondContact O-CG2 3.47Å; S86-E296 WeakPolarHBondContact CB-OE1 3.42Å; S86-E296 PolarHBondContact OG-OE1 3.16Å
87P94.1Very high95.7Very high113 Ų11332.5 Ų32.573%0.73418%0.175SC*.THydrogen-bonded Turntrans-59-22.8168.9-23.934.8000113.6S89P87-S89 VanDerWaalsContact C-N 3.29Å
88E92.2Very high95.4Very high145 Ų14537.2 Ų37.268%0.67821%0.209SC*.THydrogen-bonded Turntrans-80.8-11.2177.2-57.6179-172.700112.4S86S86-E88 PolarHBondContact O-N 3.09Å; S86-E88 PolarHBondContact OG-N 3.38Å; S86-E88 VanDerWaalsContact OG-N 3.16Å
89S94Very high95.3Very high9 Ų940.7 Ų40.76%0.06323%0.23CC..  trans-75.6127.7-179.7175.70000111.1L83 S86 P87 V91 V92L83-S89 WeakPolarHBondContact CA-OG 3.23Å; L83-S89 WeakPolarHBondContact O-CB 3.36Å; L83-S89 PolarHBondContact O-OG 2.96Å; S86-S89 VanDerWaalsContact O-CB 3.26Å; S86-S89 WeakPolarHBondContact O-CB 3.36Å; S86-S89 PolarHBondContact O-N 3.09Å; P87-S89 VanDerWaalsContact C-N 3.29Å; S89-V91 PolarHBondContact O-N 2.83Å; S89-V91 VanDerWaalsContact OG-CG2 3.26Å; S89-V91 WeakPolarHBondContact OG-CG2 3.27Å; S89-V91 PolarHBondContact OG-N 3.45Å; S89-V92 WeakPolarHBondContact O-CG1 2.99Å; S89-V92 PolarHBondContact O-N 3.19Å
90P91.1Very high95.2Very high69 Ų6941.4 Ų41.445%0.44823%0.233SC..THydrogen-bonded Turntrans-67.8-4.6-179.829.2-36.1000114
91V95.4Very high95.2Very high4 Ų445 Ų452%0.02426%0.255CS..THydrogen-bonded Turntrans-122.46-176.3-59.80000112.7L83 S89 N93 W94 Y95 D191 L195L83-V91 HydrophobicContact CB-CG2 4.37Å; S89-V91 PolarHBondContact O-N 2.83Å; S89-V91 VanDerWaalsContact OG-CG2 3.26Å; S89-V91 WeakPolarHBondContact OG-CG2 3.27Å; S89-V91 PolarHBondContact OG-N 3.45Å; V91-N93 PolarHBondContact O-N 2.6Å; V91-W94 HydrophobicContact CB-CD2 3.77Å; V91-W94 HydrophobicContact CB-CE3 3.65Å; V91-W94 HydrophobicContact CB-CG 4.29Å; V91-W94 HydrophobicContact CB-CH2 4.46Å; V91-W94 HydrophobicContact CB-CZ3 4.02Å; V91-W94 HydrophobicContact CG1-CD2 3.9Å; V91-W94 HydrophobicContact CG1-CE3 3.61Å; V91-W94 HydrophobicContact CG1-CH2 3.54Å; V91-W94 HydrophobicContact CG1-CZ2 3.79Å; V91-W94 HydrophobicContact CG1-CZ3 3.43Å; V91-W94 VanDerWaalsContact CG1-CZ3 3.43Å; V91-W94 VanDerWaalsContact O-CB 3.3Å; V91-W94 WeakPolarHBondContact O-CB 3.32Å; V91-W94 PolarHBondContact O-N 3Å; V91-Y95 HydrophobicContact CG2-CE2 4.33Å; V91-Y95 WeakPolarHBondContact O-CD2 3.13Å; V91-D191 HydrophobicContact CG1-CB 3.85Å; V91-L195 HydrophobicContact CB-CD1 4.19Å; V91-L195 HydrophobicContact CG1-CD1 4.17Å; V91-L195 HydrophobicContact CG2-CD1 4.04Å; V91-L195 HydrophobicContact CG2-CD2 3.9Å; V91-L195 HydrophobicContact CG2-CG 4.12Å
92V96Very high95.2Very high35 Ų3549.7 Ų49.721%0.21228%0.28CS..G310 helixtrans-55.9-40.8-178.965.40000112S86 S89 W94 Y95S86-V92 VanDerWaalsContact O-CB 3.32Å; S86-V92 WeakPolarHBondContact O-CB 3.46Å; S86-V92 WeakPolarHBondContact O-CG2 3.47Å; S89-V92 WeakPolarHBondContact O-CG1 2.99Å; S89-V92 PolarHBondContact O-N 3.19Å; V92-W94 PolarHBondContact O-N 3.23Å; V92-W94 VanDerWaalsContact O-N 3.14Å; V92-Y95 PolarHBondContact O-N 2.82Å; V92-Y95 VanDerWaalsContact O-N 3.1Å
93N95.8Very high95.2Very high95 Ų9552.9 Ų52.951%0.50831%0.306SS..G310 helixtrans-62.8-23.1178.8-67.7-8.4000112.9V91 Y95 D96 E142 K146V91-N93 PolarHBondContact O-N 2.6Å; N93-Y95 PolarHBondContact O-N 2.94Å; N93-Y95 VanDerWaalsContact O-N 3.17Å; N93-D96 PolarHBondContact O-N 2.73Å; N93-E142 WeakPolarHBondContact CB-OE1 3.21Å; N93-K146 WeakPolarHBondContact O-CE 3.19Å
94W96.6Very high95.3Very high15 Ų1554.7 Ų54.76%0.05732%0.315CS..G310 helixtrans-69.5-11.2178.7-56.8-7.3000112.9V91 V92 L145 K146 M149 D191 L192 L195V91-W94 HydrophobicContact CB-CD2 3.77Å; V91-W94 HydrophobicContact CB-CE3 3.65Å; V91-W94 HydrophobicContact CB-CG 4.29Å; V91-W94 HydrophobicContact CB-CH2 4.46Å; V91-W94 HydrophobicContact CB-CZ3 4.02Å; V91-W94 HydrophobicContact CG1-CD2 3.9Å; V91-W94 HydrophobicContact CG1-CE3 3.61Å; V91-W94 HydrophobicContact CG1-CH2 3.54Å; V91-W94 HydrophobicContact CG1-CZ2 3.79Å; V91-W94 HydrophobicContact CG1-CZ3 3.43Å; V91-W94 VanDerWaalsContact CG1-CZ3 3.43Å; V91-W94 VanDerWaalsContact O-CB 3.3Å; V91-W94 WeakPolarHBondContact O-CB 3.32Å; V91-W94 PolarHBondContact O-N 3Å; V92-W94 PolarHBondContact O-N 3.23Å; V92-W94 VanDerWaalsContact O-N 3.14Å; W94-L145 HydrophobicContact CD2-CB 4.05Å; W94-L145 HydrophobicContact CD2-CD1 4.49Å; W94-L145 HydrophobicContact CG-CB 4.11Å; W94-L145 HydrophobicContact CH2-CD1 4.34Å; W94-L145 HydrophobicContact CH2-CD2 4.4Å; W94-L145 HydrophobicContact CZ2-CD1 3.66Å; W94-L145 HydrophobicContact CZ2-CD2 4.49Å; W94-L145 HydrophobicContact CZ2-CG 4.49Å; W94-K146 VanDerWaalsContact O-CA 3.28Å; W94-K146 WeakPolarHBondContact O-CA 3.45Å; W94-M149 HydrophobicContact CB-CG 3.77Å; W94-M149 HydrophobicContact CE3-CE 4.25Å; W94-M149 HydrophobicContact CE3-CG 4.43Å; W94-M149 HydrophobicContact CE3-SD 4.32Å; W94-D191 HydrophobicContact CH2-CB 3.67Å; W94-D191 HydrophobicContact CZ2-CB 4.36Å; W94-D191 HydrophobicContact CZ3-CB 4.41Å; W94-L192 HydrophobicContact CH2-CD2 4.38Å; W94-L192 HydrophobicContact CH2-CG 4.25Å; W94-L192 HydrophobicContact CZ3-CD2 3.73Å; W94-L192 HydrophobicContact CZ3-CG 4.06Å; W94-L195 HydrophobicContact CE3-CD1 3.73Å; W94-L195 HydrophobicContact CZ3-CD1 3.62Å
95Y95.4Very high95.3Very high30 Ų3053.7 Ų53.712%0.11831%0.311CS..G310 helixtrans-102.1-9.3178-59.4-79.9000113.2R84 V91 V92 N93 R97 M149 L195 Y200R84-Y95 HydrophobicContact CB-CD1 4.48Å; R84-Y95 HydrophobicContact CB-CD2 4.08Å; R84-Y95 HydrophobicContact CB-CE1 4.42Å; R84-Y95 HydrophobicContact CB-CE2 4.03Å; R84-Y95 HydrophobicContact CB-CG 4.28Å; R84-Y95 HydrophobicContact CG-CD1 3.78Å; R84-Y95 HydrophobicContact CG-CD2 3.89Å; R84-Y95 HydrophobicContact CG-CE1 4.15Å; R84-Y95 HydrophobicContact CG-CE2 4.26Å; R84-Y95 HydrophobicContact CG-CG 3.61Å; R84-Y95 VanDerWaalsContact NH2-CE1 3.27Å; V91-Y95 HydrophobicContact CG2-CE2 4.33Å; V91-Y95 WeakPolarHBondContact O-CD2 3.13Å; V92-Y95 PolarHBondContact O-N 2.82Å; V92-Y95 VanDerWaalsContact O-N 3.1Å; N93-Y95 PolarHBondContact O-N 2.94Å; N93-Y95 VanDerWaalsContact O-N 3.17Å; Y95-R97 PolarHBondContact O-N 3.2Å; Y95-M149 HydrophobicContact CD1-CB 4.21Å; Y95-M149 HydrophobicContact CD1-CG 4.39Å; Y95-M149 HydrophobicContact CE1-CB 4.04Å; Y95-M149 HydrophobicContact CE1-CG 3.99Å; Y95-M149 HydrophobicContact CE1-SD 4.15Å; Y95-L195 VanDerWaalsContact OH-CD2 3.3Å; Y95-L195 WeakPolarHBondContact OH-CD2 3.21Å; Y95-Y200 WeakPolarHBondContact OH-CE2 3.32Å
96D93.9Very high95.4Very high63 Ų6354.8 Ų54.834%0.33732%0.316SS..  trans-79.1108.7172.3168.835.5000110.6N93 S98 K146N93-D96 PolarHBondContact O-N 2.73Å; D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3.32Å; D96-S98 PolarHBondContact OD2-OG 3.26Å; D96-K146 WeakPolarHBondContact O-CD 3.48Å; D96-K146 WeakPolarHBondContact O-CE 3.5Å; D96-K146 PolarHBondContact O-NZ 3.06Å; D96-K146 IonicContact OD2-NZ 2.81Å; D96-K146 PolarHBondContact OD2-NZ 3.18Å
97R93.3Very high95.5Very high34 Ų3457.5 Ų57.513%0.12833%0.328CS..  trans-91.1-4178.9-56.3-176.9-172-173.35.8113.3Y95 T99 I100 D153 F282Y95-R97 PolarHBondContact O-N 3.2Å; R97-T99 PolarHBondContact O-N 3.39Å; R97-I100 HydrophobicContact CB-CD1 4.37Å; R97-I100 PolarHBondContact O-N 2.81Å; R97-I100 VanDerWaalsContact O-N 3.09Å; R97-D153 IonicContact NH2-OD2 2.85Å; R97-D153 PolarHBondContact NH2-OD2 3.09Å; R97-D153 VanDerWaalsContact NH2-OD2 3.14Å; R97-F282 HydrophobicContact CB-CZ 4.26Å; R97-F282 HydrophobicContact CG-CE2 4.5Å
98S92.7Very high95.7Very high100 Ų10052.3 Ų52.370%0.69929%0.294SS*.THydrogen-bonded Turntrans-62.3-29.1-172.367.20000113.4D96 I100D96-S98 VanDerWaalsContact CG-OG 3.26Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3.32Å; D96-S98 PolarHBondContact OD2-OG 3.26Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 2.84Å
99T94.3Very high96Very high72 Ų7245.9 Ų45.944%0.44227%0.265SS..THydrogen-bonded Turntrans-83.4-1.8-179.868.10000113.9R97 K146R97-T99 PolarHBondContact O-N 3.39Å; T99-K146 PolarHBondContact OG1-NZ 2.94Å
100I96.9Very high96.1Very high16 Ų1652.9 Ų52.98%0.08229%0.294CS..  trans-93.8105.3-177.5-57.8170.9000109.1R97 S98 I104 L105 T143 K146 L147 F282R97-I100 HydrophobicContact CB-CD1 4.37Å; R97-I100 PolarHBondContact O-N 2.81Å; R97-I100 VanDerWaalsContact O-N 3.09Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 2.84Å; I100-I104 HydrophobicContact CG2-CG2 4.19Å; I100-L105 HydrophobicContact CG2-CB 4.31Å; I100-T143 HydrophobicContact CG1-CG2 4.34Å; I100-K146 HydrophobicContact CD1-CB 3.87Å; I100-L147 HydrophobicContact CD1-CD2 3.96Å; I100-L147 HydrophobicContact CD1-CG 3.96Å; I100-L147 HydrophobicContact CG2-CD2 4.2Å; I100-F282 HydrophobicContact CB-CE1 4.43Å; I100-F282 HydrophobicContact CB-CZ 3.85Å; I100-F282 HydrophobicContact CD1-CE2 4Å; I100-F282 HydrophobicContact CD1-CZ 3.77Å; I100-F282 HydrophobicContact CG1-CZ 4.42Å; I100-F282 HydrophobicContact CG2-CE1 4.07Å; I100-F282 HydrophobicContact CG2-CE2 4.5Å; I100-F282 HydrophobicContact CG2-CZ 3.68Å
101T96.7Very high96.4Very high75 Ų7550.9 Ų50.946%0.4628%0.279SS..  trans-78.7161.8172.968.90000111.4A103 I104 L105T101-A103 PolarHBondContact O-N 2.78Å; T101-I104 HydrophobicContact CG2-CD1 4.44Å; T101-I104 PolarHBondContact O-N 3.3Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.27Å; T101-I104 PolarHBondContact OG1-N 3.27Å; T101-L105 PolarHBondContact O-N 2.85Å
102I97Very high96.4Very high100 Ų10050.8 Ų50.851%0.51328%0.279SS..Hα-helixtrans-58.5-38.9174.9-61.6176.6000111I104 L105 D106 L283I102-I104 PolarHBondContact O-N 3.38Å; I102-L105 WeakPolarHBondContact O-CB 3.37Å; I102-L105 PolarHBondContact O-N 2.99Å; I102-D106 WeakPolarHBondContact O-CB 3.3Å; I102-D106 PolarHBondContact O-N 2.83Å; I102-L283 HydrophobicContact CD1-CD2 4.32Å; I102-L283 HydrophobicContact CG1-CD2 4.14Å
103A98Very high96.4Very high69 Ų6949.8 Ų49.857%0.5727%0.271SS*.Hα-helixtrans-63.1-42.6177.500000112.4T101 D106 E107T101-A103 PolarHBondContact O-N 2.78Å; A103-D106 PolarHBondContact O-N 3.04Å; A103-E107 PolarHBondContact O-N 3.03Å
104I97.6Very high96.5Very high44 Ų4445.6 Ų45.623%0.22625%0.249CC..Hα-helixtrans-63.9-43.7174.9-73.5172.2000110.8I100 T101 I102 D106 E107 Y108 V139 T143I100-I104 HydrophobicContact CG2-CG2 4.19Å; T101-I104 HydrophobicContact CG2-CD1 4.44Å; T101-I104 PolarHBondContact O-N 3.3Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.27Å; T101-I104 PolarHBondContact OG1-N 3.27Å; I102-I104 PolarHBondContact O-N 3.38Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 3.09Å; I104-E107 PolarHBondContact O-N 3.08Å; I104-Y108 WeakPolarHBondContact O-CB 3.34Å; I104-Y108 PolarHBondContact O-N 3.16Å; I104-V139 HydrophobicContact CG2-CG1 4.3Å; I104-T143 HydrophobicContact CG2-CG2 3.42Å; I104-T143 VanDerWaalsContact CG2-CG2 3.42Å
105L98Very high96.6Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-59.3-44176.6177.264.8000111.2I100 T101 I102 Y108 L109 L147 F278 K279 F282I100-L105 HydrophobicContact CG2-CB 4.31Å; T101-L105 PolarHBondContact O-N 2.85Å; I102-L105 WeakPolarHBondContact O-CB 3.37Å; I102-L105 PolarHBondContact O-N 2.99Å; L105-Y108 HydrophobicContact CD1-CD1 4.3Å; L105-Y108 WeakPolarHBondContact O-CB 2.98Å; L105-Y108 PolarHBondContact O-N 3.08Å; L105-L109 HydrophobicContact CD1-CD1 4.22Å; L105-L109 HydrophobicContact CD1-CG 4.34Å; L105-L109 HydrophobicContact CG-CD1 4.08Å; L105-L109 VanDerWaalsContact O-CG 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.06Å; L105-L147 HydrophobicContact CD1-CD2 3.79Å; L105-F278 HydrophobicContact CD1-CD1 4.22Å; L105-F278 HydrophobicContact CD1-CE1 3.78Å; L105-K279 HydrophobicContact CD2-CG 4.13Å; L105-F282 HydrophobicContact CD1-CD1 4.44Å; L105-F282 HydrophobicContact CD1-CD2 4.42Å; L105-F282 HydrophobicContact CD1-CG 4.22Å; L105-F282 HydrophobicContact CD2-CB 4.16Å; L105-F282 HydrophobicContact CD2-CD1 3.65Å; L105-F282 HydrophobicContact CD2-CE1 4.3Å; L105-F282 HydrophobicContact CD2-CG 4.01Å
106D98.1Very high96.7Very high60 Ų6043.4 Ų43.432%0.32124%0.24SC..Hα-helixtrans-67.4-42.2180-77.4-23.6000112.8I102 A103 I104 Y108 L109 K110 K279I102-D106 WeakPolarHBondContact O-CB 3.3Å; I102-D106 PolarHBondContact O-N 2.83Å; A103-D106 PolarHBondContact O-N 3.04Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 3.09Å; D106-Y108 VanDerWaalsContact C-N 3.33Å; D106-Y108 PolarHBondContact O-N 3.26Å; D106-L109 PolarHBondContact O-N 2.73Å; D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.29Å; D106-K110 PolarHBondContact O-N 2.94Å; D106-K279 VanDerWaalsContact OD1-CE 3.25Å; D106-K279 WeakPolarHBondContact OD1-CE 3.25Å; D106-K279 IonicContact OD1-NZ 3.31Å; D106-K279 PolarHBondContact OD1-NZ 2.83Å; D106-K279 IonicContact OD2-NZ 3.75Å; D106-K279 PolarHBondContact OD2-NZ 3.33Å
107E98.1Very high96.9Very high59 Ų5940.5 Ų40.528%0.27623%0.225SC..Hα-helixtrans-62.4-41.3172.5-76.7-65.5134.600111.4A103 I104 K110 M111 R138 V139A103-E107 PolarHBondContact O-N 3.03Å; I104-E107 PolarHBondContact O-N 3.08Å; E107-K110 PolarHBondContact O-N 3.16Å; E107-M111 WeakPolarHBondContact O-CG 3.25Å; E107-M111 PolarHBondContact O-N 2.81Å; E107-R138 IonicContact OE1-NH1 2.72Å; E107-R138 WeakPolarHBondContact OE2-CD 3.34Å; E107-R138 IonicContact OE2-CZ 3.55Å; E107-R138 IonicContact OE2-NH1 2.67Å; E107-R138 PolarHBondContact OE2-NH1 3.47Å; E107-V139 HydrophobicContact CB-CG2 4.16Å
108Y98.2Very high97Very high4 Ų439.1 Ų39.12%0.01622%0.221CC..Hα-helixtrans-58.8-48.7174161.7-101.3000113I104 L105 D106 K110 M111 F113 H114 L147 Q151 F278I104-Y108 WeakPolarHBondContact O-CB 3.34Å; I104-Y108 PolarHBondContact O-N 3.16Å; L105-Y108 HydrophobicContact CD1-CD1 4.3Å; L105-Y108 WeakPolarHBondContact O-CB 2.98Å; L105-Y108 PolarHBondContact O-N 3.08Å; D106-Y108 VanDerWaalsContact C-N 3.33Å; D106-Y108 PolarHBondContact O-N 3.26Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.19Å; Y108-M111 PolarHBondContact O-N 3.47Å; Y108-F113 HydrophobicContact CE2-CD1 4.47Å; Y108-H114 AromaticContact CE2-ND1 3.45Å; Y108-H114 WeakPolarHBondContact CE2-ND1 3.48Å; Y108-H114 AromaticContact CZ-ND1 3.55Å; Y108-H114 WeakPolarHBondContact OH-CB 3.29Å; Y108-H114 PolarHBondContact OH-ND1 3.42Å; Y108-L147 HydrophobicContact CD1-CB 4.29Å; Y108-L147 HydrophobicContact CD1-CD1 3.85Å; Y108-L147 HydrophobicContact CD1-CD2 4.11Å; Y108-L147 HydrophobicContact CD1-CG 4.31Å; Y108-L147 HydrophobicContact CD2-CB 4.14Å; Y108-L147 HydrophobicContact CD2-CD1 3.76Å; Y108-L147 HydrophobicContact CE1-CB 3.96Å; Y108-L147 HydrophobicContact CE1-CD1 4.38Å; Y108-L147 HydrophobicContact CE1-CD2 4.21Å; Y108-L147 HydrophobicContact CE1-CG 4.41Å; Y108-L147 HydrophobicContact CE2-CB 3.8Å; Y108-L147 HydrophobicContact CE2-CD1 4.31Å; Y108-L147 HydrophobicContact CG-CB 4.35Å; Y108-L147 HydrophobicContact CG-CD1 3.48Å; Y108-L147 VanDerWaalsContact CG-CD1 3.48Å; Y108-L147 HydrophobicContact CG-CG 4.34Å; Y108-Q151 WeakPolarHBondContact OH-CG 3.1Å; Y108-F278 HydrophobicContact CD1-CE1 4.41Å; Y108-F278 HydrophobicContact CE1-CD1 4.23Å; Y108-F278 AromaticContact CE1-CE1 3.72Å; Y108-F278 HydrophobicContact CE1-CE1 3.72Å
109L98.1Very high97.2Very high11 Ų1136.2 Ų36.26%0.05820%0.196CC..Hα-helixtrans-64-41.4-179.9-71.6172.3000111.2L105 D106 M111 G112 N275 F278 K279L105-L109 HydrophobicContact CD1-CD1 4.22Å; L105-L109 HydrophobicContact CD1-CG 4.34Å; L105-L109 HydrophobicContact CG-CD1 4.08Å; L105-L109 VanDerWaalsContact O-CG 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.06Å; D106-L109 PolarHBondContact O-N 2.73Å; L109-M111 VanDerWaalsContact C-N 3.27Å; L109-M111 PolarHBondContact O-N 2.91Å; L109-G112 PolarHBondContact O-N 3.11Å; L109-G112 VanDerWaalsContact O-N 3.12Å; L109-N275 HydrophobicContact CB-CB 4.17Å; L109-N275 HydrophobicContact CD1-CB 4.41Å; L109-N275 HydrophobicContact CD2-CB 3.89Å; L109-N275 HydrophobicContact CG-CB 4.36Å; L109-N275 PolarHBondContact O-ND2 3.21Å; L109-F278 HydrophobicContact CD2-CB 4.41Å; L109-F278 HydrophobicContact CD2-CD1 3.6Å; L109-F278 HydrophobicContact CD2-CE1 4.4Å; L109-F278 HydrophobicContact CD2-CG 4.43Å; L109-K279 HydrophobicContact CD1-CB 3.85Å; L109-K279 HydrophobicContact CD1-CD 4.32Å; L109-K279 HydrophobicContact CD1-CG 4.34Å
110K97.2Very high97.3Very high155 Ų15533.1 Ų33.167%0.67418%0.177SC*.Hα-helixtrans-61-33178.5-177176.9176.5179.40113.1D106 E107 Y108 G112D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.29Å; D106-K110 PolarHBondContact O-N 2.94Å; E107-K110 PolarHBondContact O-N 3.16Å; Y108-K110 VanDerWaalsContact C-N 3.34Å; Y108-K110 PolarHBondContact O-N 3.19Å; K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.21Å
111M96.7Very high97.2Very high27 Ų2737.6 Ų37.613%0.13320%0.197CC..Hα-helixtrans-66.9-25177-74-176-69.300113.2E107 Y108 L109 F113 C133 N135 V139E107-M111 WeakPolarHBondContact O-CG 3.25Å; E107-M111 PolarHBondContact O-N 2.81Å; Y108-M111 PolarHBondContact O-N 3.47Å; L109-M111 VanDerWaalsContact C-N 3.27Å; L109-M111 PolarHBondContact O-N 2.91Å; M111-F113 VanDerWaalsContact C-N 3.31Å; M111-F113 PolarHBondContact O-N 3.02Å; M111-C133 WeakPolarHBondContact CB-O 3.4Å; M111-C133 VanDerWaalsContact O-CB 3.32Å; M111-C133 WeakPolarHBondContact O-CB 3.47Å; M111-N135 HydrophobicContact SD-CB 3.83Å; M111-N135 PolarHBondContact SD-N 2.65Å; M111-V139 HydrophobicContact CE-CB 3.76Å; M111-V139 HydrophobicContact CE-CG2 3.33Å
112G96.5Very high97.1Very high2 Ų236 Ų362%0.02119%0.185CC..THydrogen-bonded Turntrans62.238.6-179.900000113L109 K110 C115L109-G112 PolarHBondContact O-N 3.11Å; L109-G112 VanDerWaalsContact O-N 3.12Å; K110-G112 VanDerWaalsContact C-N 3.26Å; K110-G112 PolarHBondContact O-N 3.21Å; G112-C115 PolarHBondContact O-SG 3.46Å
113F95.7Very high97.1Very high14 Ų1431.3 Ų31.36%0.06116%0.162CC..  trans-77.6-51.1-176.4174.6-132.8000112.5Y108 M111 V129 R130 I131 W134 V144Y108-F113 HydrophobicContact CE2-CD1 4.47Å; M111-F113 VanDerWaalsContact C-N 3.31Å; M111-F113 PolarHBondContact O-N 3.02Å; F113-V129 HydrophobicContact CD2-CG1 4.14Å; F113-V129 HydrophobicContact CE2-CG1 3.31Å; F113-V129 HydrophobicContact CZ-CG1 3.59Å; F113-V129 CarbonylContact O-C 3.43Å; F113-V129 WeakPolarHBondContact O-CA 3.49Å; F113-R130 WeakPolarHBondContact CD2-O 3.25Å; F113-R130 PolarHBondContact O-N 3.11Å; F113-I131 HydrophobicContact CE2-CB 4.29Å; F113-I131 HydrophobicContact CE2-CG1 4.01Å; F113-W134 HydrophobicContact CD1-CB 4.45Å; F113-W134 HydrophobicContact CD2-CB 4.11Å; F113-W134 HydrophobicContact CE2-CB 4.45Å; F113-W134 HydrophobicContact CG-CB 4.13Å; F113-W134 HydrophobicContact CZ-CE3 4.5Å; F113-V144 HydrophobicContact CD1-CG1 3.63Å; F113-V144 HydrophobicContact CE1-CG1 3.25Å; F113-V144 HydrophobicContact CZ-CG1 4.37Å
114H98Very high97.1Very high7 Ų728.1 Ų28.13%0.03214%0.135CC..EExtended strand (participates in β ladder)trans-105.1116.3178-67.6141.4000110.6Y108 F127 L148 Q151Y108-H114 AromaticContact CE2-ND1 3.45Å; Y108-H114 WeakPolarHBondContact CE2-ND1 3.48Å; Y108-H114 AromaticContact CZ-ND1 3.55Å; Y108-H114 WeakPolarHBondContact OH-CB 3.29Å; Y108-H114 PolarHBondContact OH-ND1 3.42Å; H114-F127 HydrophobicContact CB-CE2 3.94Å; H114-F127 HydrophobicContact CB-CZ 3.66Å; H114-F127 AromaticContact CD2-CZ 3.92Å; H114-F127 AromaticContact CG-CZ 3.89Å; H114-L148 VanDerWaalsContact CE1-CB 3.42Å; H114-L148 WeakPolarHBondContact CE1-CB 3.48Å; H114-Q151 HydrophobicContact CB-CG 4.35Å
115C97.6Very high97.1Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-126.6102.1-166.8-47.70000110.2G112 I117 M128 I267 L271G112-C115 PolarHBondContact O-SG 3.46Å; C115-I117 HydrophobicContact CB-CD1 3.69Å; C115-I117 WeakPolarHBondContact O-CG1 3.32Å; C115-I117 PolarHBondContact O-N 3.37Å; C115-M128 HydrophobicContact CB-CB 4.09Å; C115-M128 PolarHBondContact N-O 3.13Å; C115-M128 PolarHBondContact O-N 3.13Å; C115-I267 HydrophobicContact CB-CD1 4.25Å; C115-L271 HydrophobicContact CB-CD2 4.18Å
116P97.8Very high97.1Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-64.9122.1162.90.311.9000108.6F6 L8 F125 Q274F6-P116 HydrophobicContact CE2-CB 4.37Å; F6-P116 HydrophobicContact CZ-CB 4.01Å; L8-P116 HydrophobicContact CD1-CB 4.46Å; P116-F125 HydrophobicContact CB-CE1 4.07Å; P116-F125 HydrophobicContact CB-CZ 3.6Å; P116-Q274 HydrophobicContact CG-CB 4.25Å; P116-Q274 HydrophobicContact CG-CG 4.44Å; P116-Q274 WeakPolarHBondContact O-CG 3.28Å
117I97.7Very high97.2Very high2 Ų223.3 Ų23.31%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-103.2-35.4-171-58.6-57.6000112.8F6 C115 L126 M128 V255 P257 I267 I270F6-I117 WeakPolarHBondContact CE1-O 3.32Å; C115-I117 HydrophobicContact CB-CD1 3.69Å; C115-I117 WeakPolarHBondContact O-CG1 3.32Å; C115-I117 PolarHBondContact O-N 3.37Å; I117-L126 HydrophobicContact CB-CB 4.24Å; I117-L126 HydrophobicContact CB-CD2 4.09Å; I117-L126 HydrophobicContact CB-CG 4.14Å; I117-L126 HydrophobicContact CG1-CD2 4.46Å; I117-L126 HydrophobicContact CG1-CG 4.42Å; I117-L126 HydrophobicContact CG2-CD2 3.98Å; I117-L126 PolarHBondContact N-O 3.49Å; I117-M128 HydrophobicContact CD1-CB 3.89Å; I117-M128 HydrophobicContact CD1-CE 4.34Å; I117-M128 HydrophobicContact CD1-SD 4.13Å; I117-M128 HydrophobicContact CG1-CB 3.56Å; I117-M128 HydrophobicContact CG1-CE 4.3Å; I117-V255 HydrophobicContact CG2-CG1 3.96Å; I117-V255 WeakPolarHBondContact CG2-O 3.14Å; I117-P257 HydrophobicContact CD1-CG 4.23Å; I117-I267 HydrophobicContact CD1-CD1 3.83Å; I117-I270 HydrophobicContact CD1-CG2 4.39Å
118G96.7Very high97.2Very high4 Ų420.5 Ų20.54%0.04110%0.097CC..EExtended strand (participates in β ladder)trans137-159.4178.900000113F6 F125 L126F6-G118 VanDerWaalsContact CE1-CA 3.45Å; G118-F125 WeakPolarHBondContact O-CD2 3.36Å; G118-L126 PolarHBondContact O-N 2.95Å
119F97Very high97.2Very high39 Ų3921.1 Ų21.117%0.17110%0.101CC..EExtended strand (participates in β ladder)trans-113.5134.1-171.8-64.7-90000111.9F6 L8 G123 T124 F125 R160 V161 V255F6-F119 HydrophobicContact CD2-CD2 4.48Å; F6-F119 HydrophobicContact CD2-CE2 4Å; F6-F119 HydrophobicContact CG-CE2 4.45Å; L8-F119 HydrophobicContact CD2-CZ 4.35Å; F119-G123 WeakPolarHBondContact CD1-O 3.38Å; F119-T124 WeakPolarHBondContact CA-O 3.49Å; F119-F125 HydrophobicContact CD1-CB 4.13Å; F119-F125 AromaticContact CD1-CD2 3.84Å; F119-F125 HydrophobicContact CD1-CD2 3.84Å; F119-F125 HydrophobicContact CD2-CD2 4.06Å; F119-F125 HydrophobicContact CD2-CE2 4.39Å; F119-F125 HydrophobicContact CE1-CB 3.95Å; F119-F125 AromaticContact CE1-CD2 3.54Å; F119-F125 HydrophobicContact CE1-CD2 3.54Å; F119-F125 HydrophobicContact CE1-CE2 4.47Å; F119-F125 HydrophobicContact CE1-CG 4.17Å; F119-F125 AromaticContact CE2-CD2 3.74Å; F119-F125 HydrophobicContact CE2-CD2 3.74Å; F119-F125 AromaticContact CE2-CE2 3.94Å; F119-F125 HydrophobicContact CE2-CE2 3.94Å; F119-F125 HydrophobicContact CG-CD2 4.11Å; F119-F125 AromaticContact CZ-CD2 3.48Å; F119-F125 HydrophobicContact CZ-CD2 3.48Å; F119-F125 VanDerWaalsContact CZ-CD2 3.48Å; F119-F125 AromaticContact CZ-CE2 4Å; F119-F125 HydrophobicContact CZ-CE2 4Å; F119-F125 HydrophobicContact CZ-CG 4.42Å; F119-R160 HydrophobicContact CE1-CB 3.86Å; F119-R160 HydrophobicContact CZ-CB 4.15Å; F119-V161 HydrophobicContact CE1-CG2 4Å; F119-V161 HydrophobicContact CZ-CG2 4.13Å; F119-V255 VanDerWaalsContact O-CG2 3.27Å; F119-V255 WeakPolarHBondContact O-CG2 3.48Å
120L96.6Very high97.1Very high8 Ų823.2 Ų23.24%0.04211%0.108CC..  trans-69.4163.6167.8-78.974.8000110.6D122 G123 T124 L126 V249 V255L120-D122 VanDerWaalsContact CB-OD1 3.29Å; L120-D122 WeakPolarHBondContact CB-OD1 3.29Å; L120-D122 PolarHBondContact O-N 2.85Å; L120-D122 VanDerWaalsContact O-N 3.11Å; L120-G123 WeakPolarHBondContact O-CA 3.45Å; L120-G123 PolarHBondContact O-N 2.99Å; L120-T124 WeakPolarHBondContact CD1-O 3.33Å; L120-T124 PolarHBondContact N-O 2.97Å; L120-L126 HydrophobicContact CD1-CB 3.9Å; L120-V249 HydrophobicContact CD2-CG1 3.72Å; L120-V255 HydrophobicContact CD1-CB 4.43Å; L120-V255 HydrophobicContact CD1-CG1 4.39Å; L120-V255 HydrophobicContact CD1-CG2 4.32Å; L120-V255 HydrophobicContact CG-CG2 4.14Å
121H93.7Very high97Very high109 Ų10917.3 Ų17.351%0.5058%0.084SC..THydrogen-bonded Turntrans-57.4-25.7178.375-71.5000113.7G123 S250H121-G123 VanDerWaalsContact C-N 3.26Å; H121-S250 PolarHBondContact CE1-O 3.11Å; H121-S250 PolarHBondContact ND1-O 2.72Å
122D95.3Very high96.9Very high41 Ų4117.4 Ų17.422%0.2199%0.091CC..THydrogen-bonded Turntrans-84.70.2176.576.8-24.1000113.4K21 L120 T124K21-D122 WeakPolarHBondContact CE-O 3.36Å; K21-D122 PolarHBondContact NZ-O 3.21Å; L120-D122 VanDerWaalsContact CB-OD1 3.29Å; L120-D122 WeakPolarHBondContact CB-OD1 3.29Å; L120-D122 PolarHBondContact O-N 2.85Å; L120-D122 VanDerWaalsContact O-N 3.11Å; D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 WeakPolarHBondContact OD1-CB 3.47Å; D122-T124 PolarHBondContact OD1-N 3.37Å; D122-T124 PolarHBondContact OD1-OG1 2.92Å; D122-T124 VanDerWaalsContact OD1-OG1 3.04Å; D122-T124 PolarHBondContact OD2-OG1 3.33Å
123G96.5Very high96.9Very high2 Ų219.2 Ų19.22%0.02110%0.103CC..SBendtrans85.9-1.5-177.600000114.7F119 L120 H121 F125 C164F119-G123 WeakPolarHBondContact CD1-O 3.38Å; L120-G123 WeakPolarHBondContact O-CA 3.45Å; L120-G123 PolarHBondContact O-N 2.99Å; H121-G123 VanDerWaalsContact C-N 3.26Å; G123-F125 PolarHBondContact O-N 2.91Å; G123-C164 WeakPolarHBondContact O-CB 3.38Å
124T97.7Very high96.8Very high2 Ų219.6 Ų19.61%0.01210%0.104CC..  trans-65.3132.3178.3-62.90000110.2F119 L120 D122 R167 K205F119-T124 WeakPolarHBondContact CA-O 3.49Å; L120-T124 WeakPolarHBondContact CD1-O 3.33Å; L120-T124 PolarHBondContact N-O 2.97Å; D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 WeakPolarHBondContact OD1-CB 3.47Å; D122-T124 PolarHBondContact OD1-N 3.37Å; D122-T124 PolarHBondContact OD1-OG1 2.92Å; D122-T124 VanDerWaalsContact OD1-OG1 3.04Å; D122-T124 PolarHBondContact OD2-OG1 3.33Å; T124-R167 HydrophobicContact CG2-CB 3.8Å; T124-K205 HydrophobicContact CG2-CB 3.84Å; T124-K205 HydrophobicContact CG2-CG 3.72Å
125F98.2Very high96.6Very high0 Ų022.1 Ų22.10%012%0.118CC..EExtended strand (participates in β ladder)trans-80.3137.3176-169.2-109.5000111.7F6 L8 P116 G118 F119 G123 F127 I155 V161 G165 L166 R167F6-F125 HydrophobicContact CD2-CE2 4.06Å; F6-F125 AromaticContact CE2-CE2 3.45Å; F6-F125 HydrophobicContact CE2-CE2 3.45Å; F6-F125 VanDerWaalsContact CE2-CE2 3.45Å; F6-F125 AromaticContact CE2-CZ 3.74Å; F6-F125 HydrophobicContact CE2-CZ 3.74Å; F6-F125 AromaticContact CZ-CE2 3.99Å; F6-F125 HydrophobicContact CZ-CE2 3.99Å; F6-F125 HydrophobicContact CZ-CZ 4.1Å; L8-F125 HydrophobicContact CD1-CE1 4.5Å; L8-F125 HydrophobicContact CD1-CZ 3.96Å; L8-F125 HydrophobicContact CD2-CE2 3.99Å; L8-F125 HydrophobicContact CD2-CZ 4.09Å; L8-F125 HydrophobicContact CG-CZ 4.37Å; P116-F125 HydrophobicContact CB-CE1 4.07Å; P116-F125 HydrophobicContact CB-CZ 3.6Å; G118-F125 WeakPolarHBondContact O-CD2 3.36Å; F119-F125 HydrophobicContact CD1-CB 4.13Å; F119-F125 AromaticContact CD1-CD2 3.84Å; F119-F125 HydrophobicContact CD1-CD2 3.84Å; F119-F125 HydrophobicContact CD2-CD2 4.06Å; F119-F125 HydrophobicContact CD2-CE2 4.39Å; F119-F125 HydrophobicContact CE1-CB 3.95Å; F119-F125 AromaticContact CE1-CD2 3.54Å; F119-F125 HydrophobicContact CE1-CD2 3.54Å; F119-F125 HydrophobicContact CE1-CE2 4.47Å; F119-F125 HydrophobicContact CE1-CG 4.17Å; F119-F125 AromaticContact CE2-CD2 3.74Å; F119-F125 HydrophobicContact CE2-CD2 3.74Å; F119-F125 AromaticContact CE2-CE2 3.94Å; F119-F125 HydrophobicContact CE2-CE2 3.94Å; F119-F125 HydrophobicContact CG-CD2 4.11Å; F119-F125 AromaticContact CZ-CD2 3.48Å; F119-F125 HydrophobicContact CZ-CD2 3.48Å; F119-F125 VanDerWaalsContact CZ-CD2 3.48Å; F119-F125 AromaticContact CZ-CE2 4Å; F119-F125 HydrophobicContact CZ-CE2 4Å; F119-F125 HydrophobicContact CZ-CG 4.42Å; G123-F125 PolarHBondContact O-N 2.91Å; F125-F127 HydrophobicContact CE1-CB 4.42Å; F125-I155 HydrophobicContact CD1-CG2 3.79Å; F125-I155 HydrophobicContact CE1-CD1 4.01Å; F125-I155 HydrophobicContact CE1-CG1 3.92Å; F125-I155 HydrophobicContact CE1-CG2 3.9Å; F125-V161 HydrophobicContact CB-CB 4.45Å; F125-V161 HydrophobicContact CB-CG1 4.05Å; F125-V161 HydrophobicContact CB-CG2 3.85Å; F125-V161 HydrophobicContact CD1-CG2 4.39Å; F125-V161 HydrophobicContact CD2-CG2 4.26Å; F125-V161 HydrophobicContact CG-CG2 3.91Å; F125-G165 PolarHBondContact N-O 2.94Å; F125-L166 HydrophobicContact CB-CD1 4.49Å; F125-L166 HydrophobicContact CD1-CD1 3.82Å; F125-L166 CarbonylContact O-C 3.46Å; F125-R167 PolarHBondContact O-N 3.48Å
126L98.4Very high96.3Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-106118.6176.8-174.564.2000110.4I117 G118 L120 R167 F169 L252 V255 L256I117-L126 HydrophobicContact CB-CB 4.24Å; I117-L126 HydrophobicContact CB-CD2 4.09Å; I117-L126 HydrophobicContact CB-CG 4.14Å; I117-L126 HydrophobicContact CG1-CD2 4.46Å; I117-L126 HydrophobicContact CG1-CG 4.42Å; I117-L126 HydrophobicContact CG2-CD2 3.98Å; I117-L126 PolarHBondContact N-O 3.49Å; G118-L126 PolarHBondContact O-N 2.95Å; L120-L126 HydrophobicContact CD1-CB 3.9Å; L126-R167 WeakPolarHBondContact CA-O 3.45Å; L126-R167 HydrophobicContact CD1-CB 4.19Å; L126-R167 HydrophobicContact CD1-CG 3.96Å; L126-F169 HydrophobicContact CD1-CB 4.09Å; L126-L252 HydrophobicContact CD1-CD1 4.26Å; L126-L252 HydrophobicContact CD2-CD1 3.89Å; L126-V255 HydrophobicContact CB-CG1 4.35Å; L126-V255 HydrophobicContact CD2-CG1 3.99Å; L126-L256 HydrophobicContact CD2-CD2 3.87Å
127F98.5Very high96Very high4 Ų430.7 Ų30.72%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-112.2126.7171.5-180-117000109.6H114 F125 V129 L148 Q151 L152 I155 L166 R167 V168 F169H114-F127 HydrophobicContact CB-CE2 3.94Å; H114-F127 HydrophobicContact CB-CZ 3.66Å; H114-F127 AromaticContact CD2-CZ 3.92Å; H114-F127 AromaticContact CG-CZ 3.89Å; F125-F127 HydrophobicContact CE1-CB 4.42Å; F127-V129 HydrophobicContact CD1-CG2 4.06Å; F127-V129 HydrophobicContact CE1-CG2 3.65Å; F127-V129 HydrophobicContact CZ-CG2 4.34Å; F127-L148 HydrophobicContact CE1-CD1 3.83Å; F127-L148 HydrophobicContact CZ-CD1 3.96Å; F127-Q151 HydrophobicContact CE2-CB 4.47Å; F127-Q151 HydrophobicContact CZ-CB 4.44Å; F127-L152 HydrophobicContact CE1-CD2 4.49Å; F127-I155 HydrophobicContact CB-CD1 4.49Å; F127-I155 HydrophobicContact CD2-CD1 3.62Å; F127-I155 HydrophobicContact CE2-CD1 3.95Å; F127-I155 HydrophobicContact CG-CD1 4.08Å; F127-L166 HydrophobicContact CB-CD1 3.86Å; F127-R167 PolarHBondContact N-O 3.11Å; F127-V168 CarbonylContact O-C 3.45Å; F127-V168 VanDerWaalsContact O-CA 3.27Å; F127-V168 WeakPolarHBondContact O-CA 3.33Å; F127-F169 PolarHBondContact O-N 3.24Å
128M98.5Very high95.9Very high0 Ų037.3 Ų37.30%019%0.189CC..EExtended strand (participates in β ladder)trans-110.4139.9-177.2174.2-176-68.200111C115 I117 R130 F169 L256 P257 Y260 I267C115-M128 HydrophobicContact CB-CB 4.09Å; C115-M128 PolarHBondContact N-O 3.13Å; C115-M128 PolarHBondContact O-N 3.13Å; I117-M128 HydrophobicContact CD1-CB 3.89Å; I117-M128 HydrophobicContact CD1-CE 4.34Å; I117-M128 HydrophobicContact CD1-SD 4.13Å; I117-M128 HydrophobicContact CG1-CB 3.56Å; I117-M128 HydrophobicContact CG1-CE 4.3Å; M128-R130 HydrophobicContact CG-CG 4Å; M128-R130 HydrophobicContact SD-CG 3.99Å; M128-F169 CarbonylContact C-O 3.56Å; M128-F169 VanDerWaalsContact CA-O 3.23Å; M128-F169 WeakPolarHBondContact CA-O 3.43Å; M128-F169 HydrophobicContact CB-CB 4.29Å; M128-F169 HydrophobicContact CE-CD1 3.83Å; M128-F169 HydrophobicContact CE-CE1 4.21Å; M128-F169 HydrophobicContact CE-CG 4.22Å; M128-F169 HydrophobicContact CG-CB 4.45Å; M128-F169 HydrophobicContact CG-CD1 4.03Å; M128-L256 HydrophobicContact CE-CD2 3.53Å; M128-P257 HydrophobicContact CE-CG 4.21Å; M128-Y260 HydrophobicContact CE-CD2 3.92Å; M128-Y260 HydrophobicContact CE-CE2 3.7Å; M128-Y260 HydrophobicContact CE-CG 4.45Å; M128-Y260 HydrophobicContact SD-CD2 4.46Å; M128-Y260 HydrophobicContact SD-CE2 3.65Å; M128-I267 HydrophobicContact SD-CD1 4.18Å
129V98.2Very high95.8Very high16 Ų1637.1 Ų37.110%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-124.8116.6178.8-177.70000108.2F113 F127 I131 V168 F169 I170 D171F113-V129 HydrophobicContact CD2-CG1 4.14Å; F113-V129 HydrophobicContact CE2-CG1 3.31Å; F113-V129 HydrophobicContact CZ-CG1 3.59Å; F113-V129 CarbonylContact O-C 3.43Å; F113-V129 WeakPolarHBondContact O-CA 3.49Å; F127-V129 HydrophobicContact CD1-CG2 4.06Å; F127-V129 HydrophobicContact CE1-CG2 3.65Å; F127-V129 HydrophobicContact CZ-CG2 4.34Å; V129-I131 HydrophobicContact CG1-CG1 4.01Å; V129-V168 HydrophobicContact CG2-CG1 4.33Å; V129-F169 PolarHBondContact N-O 2.93Å; V129-I170 WeakPolarHBondContact O-CA 3.41Å; V129-D171 PolarHBondContact O-N 3Å
130R97.5Very high95.7Very high55 Ų5538.5 Ų38.521%0.20820%0.199CC..EExtended strand (participates in β ladder)trans-107.579.6-174.9-62.117565.3-142.10.1111F113 M128 G132 C133 D171 Y260F113-R130 WeakPolarHBondContact CD2-O 3.25Å; F113-R130 PolarHBondContact O-N 3.11Å; M128-R130 HydrophobicContact CG-CG 4Å; M128-R130 HydrophobicContact SD-CG 3.99Å; R130-G132 VanDerWaalsContact C-N 3.34Å; R130-G132 PolarHBondContact O-N 3.22Å; R130-C133 HydrophobicContact CB-CB 4.27Å; R130-C133 PolarHBondContact NH2-SG 2.81Å; R130-C133 VanDerWaalsContact O-CB 3.29Å; R130-C133 WeakPolarHBondContact O-CB 3.17Å; R130-C133 PolarHBondContact O-N 3.33Å; R130-D171 CarbonylContact C-O 3.6Å; R130-D171 HydrophobicContact CG-CB 4.31Å; R130-Y260 PolarHBondContact NE-OH 3.04Å
131I95.1Very high95.5Very high32 Ų3239.4 Ų39.416%0.16421%0.205CC..G310 helixtrans-57.7-41.1-164.5-57.4173.1000113.1F113 V129 C133 W134 I170 D171 F172 V175 L179F113-I131 HydrophobicContact CE2-CB 4.29Å; F113-I131 HydrophobicContact CE2-CG1 4.01Å; V129-I131 HydrophobicContact CG1-CG1 4.01Å; I131-C133 PolarHBondContact O-N 3.42Å; I131-C133 VanDerWaalsContact O-N 3.11Å; I131-W134 PolarHBondContact O-N 2.99Å; I131-W134 VanDerWaalsContact O-N 3.12Å; I131-I170 HydrophobicContact CD1-CG2 3.39Å; I131-I170 HydrophobicContact CG1-CG2 3.99Å; I131-D171 PolarHBondContact N-O 2.87Å; I131-F172 HydrophobicContact CD1-CD1 3.57Å; I131-F172 HydrophobicContact CD1-CE1 3.34Å; I131-F172 HydrophobicContact CD1-CG 4.34Å; I131-F172 HydrophobicContact CD1-CZ 3.99Å; I131-V175 HydrophobicContact CB-CG2 3.56Å; I131-V175 HydrophobicContact CG2-CG2 3.5Å; I131-L179 HydrophobicContact CG2-CD2 3.96Å
132G94.4Very high95.5Very high28 Ų2838.5 Ų38.529%0.28920%0.201SC..G310 helixtrans-67.2-9177.700000115.1R130 W134 T173R130-G132 VanDerWaalsContact C-N 3.34Å; R130-G132 PolarHBondContact O-N 3.22Å; G132-W134 VanDerWaalsContact C-N 3.33Å; G132-T173 WeakPolarHBondContact CA-O 3.42Å
133C95.7Very high95.6Very high40 Ų4037.2 Ų37.227%0.2720%0.195SC..G310 helixtrans-84.3-10174.8-59.30000112.9M111 R130 I131M111-C133 WeakPolarHBondContact CB-O 3.4Å; M111-C133 VanDerWaalsContact O-CB 3.32Å; M111-C133 WeakPolarHBondContact O-CB 3.47Å; R130-C133 HydrophobicContact CB-CB 4.27Å; R130-C133 PolarHBondContact NH2-SG 2.81Å; R130-C133 VanDerWaalsContact O-CB 3.29Å; R130-C133 WeakPolarHBondContact O-CB 3.17Å; R130-C133 PolarHBondContact O-N 3.33Å; I131-C133 PolarHBondContact O-N 3.42Å; I131-C133 VanDerWaalsContact O-N 3.11Å
134W94.4Very high95.5Very high22 Ų2237.3 Ų37.38%0.08320%0.195CC..  trans-83.7122.1-179.6170.831000111.7F113 I131 G132 N136 V139 T141 V144 L179 V183F113-W134 HydrophobicContact CD1-CB 4.45Å; F113-W134 HydrophobicContact CD2-CB 4.11Å; F113-W134 HydrophobicContact CE2-CB 4.45Å; F113-W134 HydrophobicContact CG-CB 4.13Å; F113-W134 HydrophobicContact CZ-CE3 4.5Å; I131-W134 PolarHBondContact O-N 2.99Å; I131-W134 VanDerWaalsContact O-N 3.12Å; G132-W134 VanDerWaalsContact C-N 3.33Å; W134-N136 HydrophobicContact CZ2-CB 3.62Å; W134-N136 VanDerWaalsContact NE1-CA 3.35Å; W134-V139 PolarHBondContact NE1-O 3.31Å; W134-T141 HydrophobicContact CH2-CG2 3.77Å; W134-T141 VanDerWaalsContact CH2-OG1 3.27Å; W134-T141 WeakPolarHBondContact CH2-OG1 3.38Å; W134-T141 VanDerWaalsContact CZ2-CA 3.45Å; W134-T141 HydrophobicContact CZ2-CG2 4.42Å; W134-T141 WeakPolarHBondContact CZ2-OG1 3.18Å; W134-V144 HydrophobicContact CD2-CG2 4.32Å; W134-V144 HydrophobicContact CG-CG2 4.42Å; W134-V144 HydrophobicContact CZ2-CB 4.46Å; W134-V144 HydrophobicContact CZ2-CG2 4.25Å; W134-L179 HydrophobicContact CD2-CD1 4.01Å; W134-L179 HydrophobicContact CE3-CD1 3.76Å; W134-L179 HydrophobicContact CE3-CD2 4.45Å; W134-L179 HydrophobicContact CE3-CG 4.47Å; W134-L179 HydrophobicContact CH2-CD1 4.29Å; W134-L179 HydrophobicContact CZ2-CD1 4.5Å; W134-L179 HydrophobicContact CZ3-CD1 3.95Å; W134-V183 HydrophobicContact CE3-CG2 4.29Å; W134-V183 HydrophobicContact CH2-CG2 3.38Å; W134-V183 HydrophobicContact CZ3-CG2 3.17Å
135N92.9Very high95.5Very high60 Ų6037.9 Ų37.932%0.32120%0.198SC..  trans-99.6100.4169.3-171.7-25.8000110.6M111 N137 R138 V139M111-N135 HydrophobicContact SD-CB 3.83Å; M111-N135 PolarHBondContact SD-N 2.65Å; N135-N137 VanDerWaalsContact C-N 3.26Å; N135-N137 PolarHBondContact O-N 3.41Å; N135-N137 WeakPolarHBondContact OD1-CB 3.41Å; N135-N137 PolarHBondContact OD1-N 2.91Å; N135-N137 VanDerWaalsContact OD1-N 3.13Å; N135-R138 HydrophobicContact CB-CG 4.43Å; N135-R138 PolarHBondContact O-N 3.49Å; N135-R138 VanDerWaalsContact O-N 3.13Å; N135-V139 PolarHBondContact O-N 2.9Å; N135-V139 VanDerWaalsContact O-N 3.11Å
136N91.6Very high95.4Very high34 Ų3438.1 Ų38.118%0.18220%0.199CC..THydrogen-bonded Turntrans-66.9-20.6-179.163.8-21.3000114.5W134 R138 V139 L179 T182W134-N136 HydrophobicContact CZ2-CB 3.62Å; W134-N136 VanDerWaalsContact NE1-CA 3.35Å; N136-R138 VanDerWaalsContact C-N 3.26Å; N136-R138 PolarHBondContact O-N 3.32Å; N136-V139 WeakPolarHBondContact CA-O 3.42Å; N136-V139 CarbonylContact O-C 3.54Å; N136-L179 HydrophobicContact CB-CD1 4.14Å; N136-T182 VanDerWaalsContact ND2-CB 3.29Å; N136-T182 WeakPolarHBondContact ND2-CB 3.43Å; N136-T182 WeakPolarHBondContact ND2-CG2 3.27Å; N136-T182 PolarHBondContact ND2-OG1 3.25Å; N136-T182 VanDerWaalsContact ND2-OG1 3.1Å
137N92Very high95.4Very high147 Ų14738.1 Ų38.179%0.78620%0.199SC*.THydrogen-bonded Turntrans-72-22173.2-63-35.3000112.5N135N135-N137 VanDerWaalsContact C-N 3.26Å; N135-N137 PolarHBondContact O-N 3.41Å; N135-N137 WeakPolarHBondContact OD1-CB 3.41Å; N135-N137 PolarHBondContact OD1-N 2.91Å; N135-N137 VanDerWaalsContact OD1-N 3.13Å
138R94.4Very high95.3Very high141 Ų14138.8 Ų38.853%0.53220%0.203SC..THydrogen-bonded Turntrans-97.8-40.7178.5-64.3-169.9-179.6-156.9-1.7112.7E107 N135 N136E107-R138 IonicContact OE1-NH1 2.72Å; E107-R138 WeakPolarHBondContact OE2-CD 3.34Å; E107-R138 IonicContact OE2-CZ 3.55Å; E107-R138 IonicContact OE2-NH1 2.67Å; E107-R138 PolarHBondContact OE2-NH1 3.47Å; N135-R138 HydrophobicContact CB-CG 4.43Å; N135-R138 PolarHBondContact O-N 3.49Å; N135-R138 VanDerWaalsContact O-N 3.13Å; N136-R138 VanDerWaalsContact C-N 3.26Å; N136-R138 PolarHBondContact O-N 3.32Å
139V95.6Very high95.3Very high0 Ų038.9 Ų38.90%020%0.203CC..SBendtrans-129109.4176.9-171.90000108.4I104 E107 M111 W134 N135 N136 T143 V144 L147I104-V139 HydrophobicContact CG2-CG1 4.3Å; E107-V139 HydrophobicContact CB-CG2 4.16Å; M111-V139 HydrophobicContact CE-CB 3.76Å; M111-V139 HydrophobicContact CE-CG2 3.33Å; W134-V139 PolarHBondContact NE1-O 3.31Å; N135-V139 PolarHBondContact O-N 2.9Å; N135-V139 VanDerWaalsContact O-N 3.11Å; N136-V139 WeakPolarHBondContact CA-O 3.42Å; N136-V139 CarbonylContact O-C 3.54Å; V139-T143 HydrophobicContact CG1-CG2 3.64Å; V139-V144 HydrophobicContact CB-CG2 3.97Å; V139-V144 HydrophobicContact CG1-CG2 3.51Å; V139-L147 HydrophobicContact CG1-CD1 4.46Å
140P94.1Very high95.2Very high68 Ų6838.1 Ų38.144%0.44220%0.198SC..  trans-58.5155.4-178.5-26.635.1000113.4E142 T143 V144P140-E142 VanDerWaalsContact C-N 3.31Å; P140-E142 PolarHBondContact O-N 3.42Å; P140-T143 WeakPolarHBondContact O-CB 3.23Å; P140-T143 PolarHBondContact O-N 3.45Å; P140-V144 PolarHBondContact O-N 3.3Å
141T93Very high95.2Very high27 Ų2735.5 Ų35.517%0.16619%0.189CC..Hα-helixtrans-50.8-47.8179.8-540000112.7W134 T143 V144 L145W134-T141 HydrophobicContact CH2-CG2 3.77Å; W134-T141 VanDerWaalsContact CH2-OG1 3.27Å; W134-T141 WeakPolarHBondContact CH2-OG1 3.38Å; W134-T141 VanDerWaalsContact CZ2-CA 3.45Å; W134-T141 HydrophobicContact CZ2-CG2 4.42Å; W134-T141 WeakPolarHBondContact CZ2-OG1 3.18Å; T141-T143 PolarHBondContact O-N 3.29Å; T141-V144 PolarHBondContact O-N 3.25Å; T141-L145 HydrophobicContact CG2-CD1 3.94Å; T141-L145 VanDerWaalsContact O-CG 3.31Å; T141-L145 WeakPolarHBondContact O-CG 3.2Å; T141-L145 PolarHBondContact O-N 3.38Å
142E93.6Very high95.3Very high89 Ų8934.4 Ų34.442%0.41618%0.183SC..Hα-helixtrans-61.8-44.3179.7-171.9-178.916200111.7N93 P140 V144 L145 K146N93-E142 WeakPolarHBondContact CB-OE1 3.21Å; P140-E142 VanDerWaalsContact C-N 3.31Å; P140-E142 PolarHBondContact O-N 3.42Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.18Å; E142-L145 PolarHBondContact O-N 3.23Å; E142-K146 WeakPolarHBondContact O-CG 3.4Å; E142-K146 PolarHBondContact O-N 3.49Å; E142-K146 WeakPolarHBondContact OE1-CE 2.99Å
143T96.6Very high95.5Very high15 Ų1533.1 Ų33.19%0.09217%0.17CC..Hα-helixtrans-62.1-41176.8-53.30000112.1I100 I104 V139 P140 T141 L145 K146 L147I100-T143 HydrophobicContact CG1-CG2 4.34Å; I104-T143 HydrophobicContact CG2-CG2 3.42Å; I104-T143 VanDerWaalsContact CG2-CG2 3.42Å; V139-T143 HydrophobicContact CG1-CG2 3.64Å; P140-T143 WeakPolarHBondContact O-CB 3.23Å; P140-T143 PolarHBondContact O-N 3.45Å; T141-T143 PolarHBondContact O-N 3.29Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.1Å; T143-K146 WeakPolarHBondContact O-CB 3.29Å; T143-K146 PolarHBondContact O-N 2.88Å; T143-L147 HydrophobicContact CG2-CD1 4.11Å; T143-L147 WeakPolarHBondContact O-CD1 3.28Å; T143-L147 WeakPolarHBondContact O-CG 3.39Å; T143-L147 PolarHBondContact O-N 3.08Å
144V96Very high95.5Very high4 Ų431.7 Ų31.72%0.02416%0.159CC..Hα-helixtrans-63.3-39.5174.3168.10000111.7F113 W134 V139 P140 T141 E142 L147 L148F113-V144 HydrophobicContact CD1-CG1 3.63Å; F113-V144 HydrophobicContact CE1-CG1 3.25Å; F113-V144 HydrophobicContact CZ-CG1 4.37Å; W134-V144 HydrophobicContact CD2-CG2 4.32Å; W134-V144 HydrophobicContact CG-CG2 4.42Å; W134-V144 HydrophobicContact CZ2-CB 4.46Å; W134-V144 HydrophobicContact CZ2-CG2 4.25Å; V139-V144 HydrophobicContact CB-CG2 3.97Å; V139-V144 HydrophobicContact CG1-CG2 3.51Å; P140-V144 PolarHBondContact O-N 3.3Å; T141-V144 PolarHBondContact O-N 3.25Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.18Å; V144-L147 PolarHBondContact O-N 3.29Å; V144-L148 PolarHBondContact O-N 3.39Å
145L96.1Very high95.7Very high14 Ų1430.6 Ų30.67%0.07316%0.155CC..Hα-helixtrans-67.8-38.1175.9-69164.9000111.7W94 T141 E142 T143 L147 L148 M149 T188 L192W94-L145 HydrophobicContact CD2-CB 4.05Å; W94-L145 HydrophobicContact CD2-CD1 4.49Å; W94-L145 HydrophobicContact CG-CB 4.11Å; W94-L145 HydrophobicContact CH2-CD1 4.34Å; W94-L145 HydrophobicContact CH2-CD2 4.4Å; W94-L145 HydrophobicContact CZ2-CD1 3.66Å; W94-L145 HydrophobicContact CZ2-CD2 4.49Å; W94-L145 HydrophobicContact CZ2-CG 4.49Å; T141-L145 HydrophobicContact CG2-CD1 3.94Å; T141-L145 VanDerWaalsContact O-CG 3.31Å; T141-L145 WeakPolarHBondContact O-CG 3.2Å; T141-L145 PolarHBondContact O-N 3.38Å; E142-L145 PolarHBondContact O-N 3.23Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.1Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 3.49Å; L145-L148 HydrophobicContact CD2-CD2 4.45Å; L145-L148 WeakPolarHBondContact O-CB 3.32Å; L145-L148 PolarHBondContact O-N 2.91Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.43Å; L145-T188 HydrophobicContact CD1-CG2 4.47Å; L145-T188 HydrophobicContact CD2-CG2 4.05Å; L145-L192 HydrophobicContact CD2-CD1 4.25Å; L145-L192 HydrophobicContact CD2-CD2 4.49Å
146K97.3Very high95.9Very high5 Ų527.8 Ų27.82%0.02214%0.139CC..Hα-helixtrans-58.4-44.3171.2-67.5168.2176.9-133.70111.7N93 W94 D96 T99 I100 E142 T143 M149 A150N93-K146 WeakPolarHBondContact O-CE 3.19Å; W94-K146 VanDerWaalsContact O-CA 3.28Å; W94-K146 WeakPolarHBondContact O-CA 3.45Å; D96-K146 WeakPolarHBondContact O-CD 3.48Å; D96-K146 WeakPolarHBondContact O-CE 3.5Å; D96-K146 PolarHBondContact O-NZ 3.06Å; D96-K146 IonicContact OD2-NZ 2.81Å; D96-K146 PolarHBondContact OD2-NZ 3.18Å; T99-K146 PolarHBondContact OG1-NZ 2.94Å; I100-K146 HydrophobicContact CD1-CB 3.87Å; E142-K146 WeakPolarHBondContact O-CG 3.4Å; E142-K146 PolarHBondContact O-N 3.49Å; E142-K146 WeakPolarHBondContact OE1-CE 2.99Å; T143-K146 WeakPolarHBondContact O-CB 3.29Å; T143-K146 PolarHBondContact O-N 2.88Å; K146-M149 PolarHBondContact O-N 3.3Å; K146-A150 PolarHBondContact O-N 3.04Å
147L97.6Very high96.1Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-71.8-31.1178.4-70.6160.6000112.9I100 L105 Y108 V139 T143 V144 L145 A150 Q151 F278 F282I100-L147 HydrophobicContact CD1-CD2 3.96Å; I100-L147 HydrophobicContact CD1-CG 3.96Å; I100-L147 HydrophobicContact CG2-CD2 4.2Å; L105-L147 HydrophobicContact CD1-CD2 3.79Å; Y108-L147 HydrophobicContact CD1-CB 4.29Å; Y108-L147 HydrophobicContact CD1-CD1 3.85Å; Y108-L147 HydrophobicContact CD1-CD2 4.11Å; Y108-L147 HydrophobicContact CD1-CG 4.31Å; Y108-L147 HydrophobicContact CD2-CB 4.14Å; Y108-L147 HydrophobicContact CD2-CD1 3.76Å; Y108-L147 HydrophobicContact CE1-CB 3.96Å; Y108-L147 HydrophobicContact CE1-CD1 4.38Å; Y108-L147 HydrophobicContact CE1-CD2 4.21Å; Y108-L147 HydrophobicContact CE1-CG 4.41Å; Y108-L147 HydrophobicContact CE2-CB 3.8Å; Y108-L147 HydrophobicContact CE2-CD1 4.31Å; Y108-L147 HydrophobicContact CG-CB 4.35Å; Y108-L147 HydrophobicContact CG-CD1 3.48Å; Y108-L147 VanDerWaalsContact CG-CD1 3.48Å; Y108-L147 HydrophobicContact CG-CG 4.34Å; V139-L147 HydrophobicContact CG1-CD1 4.46Å; T143-L147 HydrophobicContact CG2-CD1 4.11Å; T143-L147 WeakPolarHBondContact O-CD1 3.28Å; T143-L147 WeakPolarHBondContact O-CG 3.39Å; T143-L147 PolarHBondContact O-N 3.08Å; V144-L147 PolarHBondContact O-N 3.29Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 3.49Å; L147-A150 PolarHBondContact O-N 2.76Å; L147-Q151 PolarHBondContact O-N 3.25Å; L147-F278 HydrophobicContact CD2-CE1 4.19Å; L147-F278 HydrophobicContact CD2-CZ 4.39Å; L147-F282 HydrophobicContact CD2-CD2 4.37Å; L147-F282 HydrophobicContact CD2-CE2 3.93Å
148L97.6Very high96.4Very high17 Ų1719.9 Ų19.99%0.08910%0.097CC..Hα-helixtrans-61.1-49.7168.6178.756000110.7H114 F127 V144 L145 A150 Q151 L152 L192H114-L148 VanDerWaalsContact CE1-CB 3.42Å; H114-L148 WeakPolarHBondContact CE1-CB 3.48Å; F127-L148 HydrophobicContact CE1-CD1 3.83Å; F127-L148 HydrophobicContact CZ-CD1 3.96Å; V144-L148 PolarHBondContact O-N 3.39Å; L145-L148 HydrophobicContact CD2-CD2 4.45Å; L145-L148 WeakPolarHBondContact O-CB 3.32Å; L145-L148 PolarHBondContact O-N 2.91Å; L148-A150 VanDerWaalsContact C-N 3.26Å; L148-A150 PolarHBondContact O-N 3.44Å; L148-Q151 PolarHBondContact O-N 3.13Å; L148-Q151 VanDerWaalsContact O-N 3.1Å; L148-L152 HydrophobicContact CD1-CD1 4.31Å; L148-L152 HydrophobicContact CD1-CD2 4.44Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 4.21Å; L148-L152 HydrophobicContact CG-CG 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.12Å; L148-L192 HydrophobicContact CD2-CD1 4.28Å; L148-L192 HydrophobicContact CD2-CD2 3.84Å
149M97Very high96.5Very high2 Ų213.7 Ų13.71%0.018%0.075CC..Hα-helixtrans-59.4-40.7179-66.7-52.9101.900110.8W94 Y95 L145 K146 Q151 L152 D153 L192 L195 Y200W94-M149 HydrophobicContact CB-CG 3.77Å; W94-M149 HydrophobicContact CE3-CE 4.25Å; W94-M149 HydrophobicContact CE3-CG 4.43Å; W94-M149 HydrophobicContact CE3-SD 4.32Å; Y95-M149 HydrophobicContact CD1-CB 4.21Å; Y95-M149 HydrophobicContact CD1-CG 4.39Å; Y95-M149 HydrophobicContact CE1-CB 4.04Å; Y95-M149 HydrophobicContact CE1-CG 3.99Å; Y95-M149 HydrophobicContact CE1-SD 4.15Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.43Å; K146-M149 PolarHBondContact O-N 3.3Å; M149-Q151 PolarHBondContact O-N 3.25Å; M149-L152 HydrophobicContact CE-CD1 3.81Å; M149-L152 PolarHBondContact O-N 3.2Å; M149-L152 HydrophobicContact SD-CD1 4.43Å; M149-D153 WeakPolarHBondContact O-CB 3.41Å; M149-D153 PolarHBondContact O-N 3.35Å; M149-L192 HydrophobicContact CE-CD2 3.65Å; M149-L195 HydrophobicContact CE-CD1 4.41Å; M149-L195 HydrophobicContact SD-CD1 3.89Å; M149-Y200 HydrophobicContact SD-CE2 4.02Å
150A96.9Very high96.6Very high0 Ų015.1 Ų15.10%08%0.08CC..Hα-helixtrans-62.8-38.7174.800000113.5K146 L147 L148 R154 F278 F282K146-A150 PolarHBondContact O-N 3.04Å; L147-A150 PolarHBondContact O-N 2.76Å; L148-A150 VanDerWaalsContact C-N 3.26Å; L148-A150 PolarHBondContact O-N 3.44Å; A150-R154 PolarHBondContact O-N 3.26Å; A150-R154 VanDerWaalsContact O-N 3.1Å; A150-F278 HydrophobicContact CB-CE2 4.13Å; A150-F278 HydrophobicContact CB-CZ 3.9Å; A150-F282 HydrophobicContact CB-CD2 4.34Å; A150-F282 HydrophobicContact CB-CE2 4.37Å
151Q97.6Very high96.8Very high0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-66.2-44.2173.1-78.6-74.716.800111.7Y108 H114 F127 L147 L148 M149 R154 I155 F278Y108-Q151 WeakPolarHBondContact OH-CG 3.1Å; H114-Q151 HydrophobicContact CB-CG 4.35Å; F127-Q151 HydrophobicContact CE2-CB 4.47Å; F127-Q151 HydrophobicContact CZ-CB 4.44Å; L147-Q151 PolarHBondContact O-N 3.25Å; L148-Q151 PolarHBondContact O-N 3.13Å; L148-Q151 VanDerWaalsContact O-N 3.1Å; M149-Q151 PolarHBondContact O-N 3.25Å; Q151-R154 PolarHBondContact O-N 3.08Å; Q151-I155 WeakPolarHBondContact O-CB 3.21Å; Q151-I155 WeakPolarHBondContact O-CD1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.36Å; Q151-I155 PolarHBondContact O-N 3.2Å; Q151-F278 HydrophobicContact CB-CE2 4.35Å; Q151-F278 VanDerWaalsContact CD-CE2 3.5Å; Q151-F278 HydrophobicContact CG-CD2 3.99Å; Q151-F278 HydrophobicContact CG-CE1 4.49Å; Q151-F278 HydrophobicContact CG-CE2 3.62Å; Q151-F278 HydrophobicContact CG-CZ 3.89Å; Q151-F278 VanDerWaalsContact OE1-CD2 3.3Å
152L97.6Very high97Very high10 Ų1010.9 Ų10.95%0.0525%0.052CC..Hα-helixtrans-62.3-43.7177.6-67.3-178.6000111.3F127 L148 M149 R154 I155 L156 L196 Y200 F202F127-L152 HydrophobicContact CE1-CD2 4.49Å; L148-L152 HydrophobicContact CD1-CD1 4.31Å; L148-L152 HydrophobicContact CD1-CD2 4.44Å; L148-L152 HydrophobicContact CD1-CG 4.08Å; L148-L152 HydrophobicContact CG-CD1 4.21Å; L148-L152 HydrophobicContact CG-CG 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.39Å; L148-L152 PolarHBondContact O-N 3.12Å; M149-L152 HydrophobicContact CE-CD1 3.81Å; M149-L152 PolarHBondContact O-N 3.2Å; M149-L152 HydrophobicContact SD-CD1 4.43Å; L152-R154 PolarHBondContact O-N 3.09Å; L152-I155 PolarHBondContact O-N 3.02Å; L152-L156 VanDerWaalsContact O-CB 3.3Å; L152-L156 WeakPolarHBondContact O-CB 3.1Å; L152-L156 PolarHBondContact O-N 2.84Å; L152-L196 HydrophobicContact CD1-CD2 4.4Å; L152-Y200 HydrophobicContact CB-CD1 4.43Å; L152-Y200 HydrophobicContact CB-CE1 3.73Å; L152-F202 HydrophobicContact CB-CE2 4.18Å; L152-F202 HydrophobicContact CB-CZ 4.47Å; L152-F202 HydrophobicContact CD2-CE2 4.08Å; L152-F202 HydrophobicContact CD2-CZ 4.45Å; L152-F202 WeakPolarHBondContact O-CZ 3.03Å
153D97.1Very high97.2Very high1 Ų16.6 Ų6.61%0.0053%0.033CC..Hα-helixtrans-55-49.7173.4-79.7-7.1000111.4R84 R97 M149 I155 L156 E157 Y200 W289R84-D153 IonicContact CZ-OD1 3.42Å; R84-D153 IonicContact CZ-OD2 2.66Å; R84-D153 IonicContact NH1-OD1 2.69Å; R84-D153 IonicContact NH1-OD2 3.18Å; R84-D153 PolarHBondContact NH1-OD2 3.29Å; R84-D153 IonicContact NH2-OD1 2.77Å; R84-D153 PolarHBondContact NH2-OD1 2.81Å; R84-D153 IonicContact NH2-OD2 3.76Å; R84-D153 PolarHBondContact NH2-OD2 2.82Å; R97-D153 IonicContact NH2-OD2 2.85Å; R97-D153 PolarHBondContact NH2-OD2 3.09Å; R97-D153 VanDerWaalsContact NH2-OD2 3.14Å; M149-D153 WeakPolarHBondContact O-CB 3.41Å; M149-D153 PolarHBondContact O-N 3.35Å; D153-I155 PolarHBondContact O-N 3.42Å; D153-L156 PolarHBondContact O-N 2.79Å; D153-E157 WeakPolarHBondContact O-CG 3.12Å; D153-E157 PolarHBondContact O-N 2.65Å; D153-E157 VanDerWaalsContact O-N 3.17Å; D153-Y200 PolarHBondContact OD1-OH 2.89Å; D153-W289 VanDerWaalsContact CG-CD1 3.44Å; D153-W289 PolarHBondContact O-NE1 3.31Å
154R96.9Very high97.3Very high9 Ų95.9 Ų5.93%0.0343%0.028CC..Hα-helixtrans-61.7-44.5179.1-170.9-17968.2109.7-3.2112.3A150 Q151 L152 L156 E157 Y281A150-R154 PolarHBondContact O-N 3.26Å; A150-R154 VanDerWaalsContact O-N 3.1Å; Q151-R154 PolarHBondContact O-N 3.08Å; L152-R154 PolarHBondContact O-N 3.09Å; R154-L156 VanDerWaalsContact C-N 3.27Å; R154-L156 PolarHBondContact O-N 2.92Å; R154-E157 PolarHBondContact O-N 2.96Å; R154-Y281 HydrophobicContact CB-CD1 3.93Å; R154-Y281 HydrophobicContact CB-CD2 4.4Å; R154-Y281 HydrophobicContact CB-CE1 3.56Å; R154-Y281 HydrophobicContact CB-CE2 4.08Å; R154-Y281 HydrophobicContact CB-CG 4.32Å; R154-Y281 HydrophobicContact CG-CD1 3.88Å; R154-Y281 HydrophobicContact CG-CD2 3.8Å; R154-Y281 HydrophobicContact CG-CE1 3.96Å; R154-Y281 HydrophobicContact CG-CE2 3.9Å; R154-Y281 HydrophobicContact CG-CG 3.78Å; R154-Y281 PolarHBondContact N-OH 3.3Å
155I97.8Very high97.4Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-63.7-37.9179-70.6163000110.3L8 F125 F127 Q151 L152 D153 E157 D158 V161 L166 F202L8-I155 HydrophobicContact CD1-CB 4.44Å; L8-I155 HydrophobicContact CD1-CG1 3.69Å; F125-I155 HydrophobicContact CD1-CG2 3.79Å; F125-I155 HydrophobicContact CE1-CD1 4.01Å; F125-I155 HydrophobicContact CE1-CG1 3.92Å; F125-I155 HydrophobicContact CE1-CG2 3.9Å; F127-I155 HydrophobicContact CB-CD1 4.49Å; F127-I155 HydrophobicContact CD2-CD1 3.62Å; F127-I155 HydrophobicContact CE2-CD1 3.95Å; F127-I155 HydrophobicContact CG-CD1 4.08Å; Q151-I155 WeakPolarHBondContact O-CB 3.21Å; Q151-I155 WeakPolarHBondContact O-CD1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.36Å; Q151-I155 PolarHBondContact O-N 3.2Å; L152-I155 PolarHBondContact O-N 3.02Å; D153-I155 PolarHBondContact O-N 3.42Å; I155-E157 VanDerWaalsContact C-N 3.35Å; I155-D158 PolarHBondContact O-N 3.25Å; I155-V161 HydrophobicContact CG2-CB 4.49Å; I155-V161 HydrophobicContact CG2-CG1 3.83Å; I155-V161 HydrophobicContact CG2-CG2 4.22Å; I155-L166 HydrophobicContact CG2-CD1 4.43Å; I155-F202 HydrophobicContact CB-CZ 4.43Å; I155-F202 HydrophobicContact CG2-CE1 3.94Å; I155-F202 HydrophobicContact CG2-CZ 4.14Å
156L97.5Very high97.5Very high0 Ų05.1 Ų5.10%02%0.024CC..Hα-helixtrans-71.5-27.9-178-175.662.1000113.4L152 D153 R154 D158 Q162 Y200 P201 F202 W289L152-L156 VanDerWaalsContact O-CB 3.3Å; L152-L156 WeakPolarHBondContact O-CB 3.1Å; L152-L156 PolarHBondContact O-N 2.84Å; D153-L156 PolarHBondContact O-N 2.79Å; R154-L156 VanDerWaalsContact C-N 3.27Å; R154-L156 PolarHBondContact O-N 2.92Å; L156-D158 PolarHBondContact O-N 3.24Å; L156-Q162 HydrophobicContact CD1-CG 4.4Å; L156-Q162 WeakPolarHBondContact O-CG 3.39Å; L156-Q162 PolarHBondContact O-NE2 2.89Å; L156-Y200 HydrophobicContact CD2-CD1 4.05Å; L156-Y200 HydrophobicContact CD2-CE1 4.46Å; L156-P201 HydrophobicContact CD1-CG 3.94Å; L156-P201 HydrophobicContact CD2-CG 3.68Å; L156-P201 HydrophobicContact CG-CG 4.33Å; L156-F202 HydrophobicContact CB-CE1 3.83Å; L156-F202 HydrophobicContact CB-CZ 3.67Å; L156-F202 HydrophobicContact CD1-CD1 3.86Å; L156-F202 HydrophobicContact CD1-CE1 3.64Å; L156-F202 HydrophobicContact CD1-CG 4.48Å; L156-F202 HydrophobicContact CD1-CZ 4.11Å; L156-F202 HydrophobicContact CG-CE1 4.33Å; L156-F202 HydrophobicContact CG-CZ 4.4Å; L156-W289 HydrophobicContact CB-CZ2 3.88Å; L156-W289 HydrophobicContact CD2-CH2 3.45Å; L156-W289 VanDerWaalsContact CD2-CH2 3.45Å; L156-W289 HydrophobicContact CD2-CZ2 3.41Å; L156-W289 VanDerWaalsContact CD2-CZ2 3.41Å; L156-W289 HydrophobicContact CD2-CZ3 4.22Å; L156-W289 HydrophobicContact CG-CH2 3.73Å; L156-W289 HydrophobicContact CG-CZ2 3.52Å
157E96.7Very high97.5Very high15 Ų156.2 Ų6.27%0.073%0.028CC..Hα-helixtrans-62.1-24.4176.5-75177.8-170.700112.5P10 D153 R154 I155 P159 Y281 L288 W289P10-E157 WeakPolarHBondContact CA-O 3.47Å; P10-E157 HydrophobicContact CB-CB 4.27Å; D153-E157 WeakPolarHBondContact O-CG 3.12Å; D153-E157 PolarHBondContact O-N 2.65Å; D153-E157 VanDerWaalsContact O-N 3.17Å; R154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.35Å; E157-P159 WeakPolarHBondContact O-CD 3.24Å; E157-Y281 PolarHBondContact OE1-OH 3.02Å; E157-L288 HydrophobicContact CG-CB 3.84Å; E157-L288 HydrophobicContact CG-CD2 3.98Å; E157-L288 VanDerWaalsContact OE1-CB 3.28Å; E157-L288 WeakPolarHBondContact OE1-CB 3.23Å; E157-L288 PolarHBondContact OE1-N 2.98Å; E157-L288 VanDerWaalsContact OE1-N 3.07Å; E157-W289 HydrophobicContact CG-CZ2 4.08Å
158D97.1Very high97.6Very high0 Ų07 Ų70%03%0.033CC..  trans-79.6119.2-178.6-165.7-63.6000112.6L8 S9 T12 I155 L156 R160 V161 Q162L8-D158 WeakPolarHBondContact CA-OD2 3.16Å; L8-D158 HydrophobicContact CD2-CB 3.77Å; S9-D158 PolarHBondContact N-OD2 3.35Å; T12-D158 PolarHBondContact OG1-OD2 3.24Å; I155-D158 PolarHBondContact O-N 3.25Å; L156-D158 PolarHBondContact O-N 3.24Å; D158-R160 PolarHBondContact O-N 3.37Å; D158-R160 WeakPolarHBondContact OD1-CB 3.47Å; D158-R160 WeakPolarHBondContact OD1-CG 3.47Å; D158-R160 IonicContact OD1-CZ 3.71Å; D158-R160 PolarHBondContact OD1-N 3.19Å; D158-R160 IonicContact OD1-NE 3.4Å; D158-R160 PolarHBondContact OD1-NE 3.5Å; D158-R160 IonicContact OD1-NH2 2.76Å; D158-R160 IonicContact OD2-CZ 2.93Å; D158-R160 IonicContact OD2-NE 3.81Å; D158-R160 PolarHBondContact OD2-NE 3.24Å; D158-R160 IonicContact OD2-NH2 3.7Å; D158-R160 PolarHBondContact OD2-NH2 3.2Å; D158-V161 HydrophobicContact CB-CG2 3.93Å; D158-V161 WeakPolarHBondContact O-CB 3.25Å; D158-V161 PolarHBondContact O-N 3.33Å; D158-Q162 PolarHBondContact O-N 3.4Å
159P96.8Very high97.6Very high12 Ų126.1 Ų6.18%0.0783%0.028CC..Hα-helixtrans-66.7-22.4-175.129.4-37.6000113.3I14 E157 V161 Q162 I163I14-P159 HydrophobicContact CD1-CB 3.9Å; I14-P159 HydrophobicContact CD1-CG 3.74Å; I14-P159 HydrophobicContact CG1-CG 4.45Å; E157-P159 WeakPolarHBondContact O-CD 3.24Å; P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 3.28Å; P159-Q162 PolarHBondContact O-N 3.41Å; P159-I163 WeakPolarHBondContact O-CB 3.29Å; P159-I163 WeakPolarHBondContact O-CD1 3.28Å; P159-I163 WeakPolarHBondContact O-CG1 3.33Å; P159-I163 PolarHBondContact O-N 3.38Å
160R97.7Very high97.6Very high30 Ų307.3 Ų7.311%0.1133%0.034CC..Hα-helixtrans-65-39.4174.4-56.8171.2-68.2-177-1.5110.6H7 T12 I14 F18 F119 D158 I163 C164H7-R160 PolarHBondContact O-NH2 3.44Å; T12-R160 HydrophobicContact CG2-CG 4.39Å; I14-R160 HydrophobicContact CD1-CG 4.38Å; F18-R160 HydrophobicContact CD1-CB 4.14Å; F18-R160 HydrophobicContact CD1-CG 4.22Å; F18-R160 HydrophobicContact CD2-CG 4.02Å; F18-R160 HydrophobicContact CE1-CB 3.75Å; F18-R160 HydrophobicContact CE1-CG 3.99Å; F18-R160 HydrophobicContact CE2-CB 4.44Å; F18-R160 HydrophobicContact CE2-CG 3.79Å; F18-R160 HydrophobicContact CG-CG 4.25Å; F18-R160 HydrophobicContact CZ-CB 3.93Å; F18-R160 HydrophobicContact CZ-CG 3.78Å; F119-R160 HydrophobicContact CE1-CB 3.86Å; F119-R160 HydrophobicContact CZ-CB 4.15Å; D158-R160 PolarHBondContact O-N 3.37Å; D158-R160 WeakPolarHBondContact OD1-CB 3.47Å; D158-R160 WeakPolarHBondContact OD1-CG 3.47Å; D158-R160 IonicContact OD1-CZ 3.71Å; D158-R160 PolarHBondContact OD1-N 3.19Å; D158-R160 IonicContact OD1-NE 3.4Å; D158-R160 PolarHBondContact OD1-NE 3.5Å; D158-R160 IonicContact OD1-NH2 2.76Å; D158-R160 IonicContact OD2-CZ 2.93Å; D158-R160 IonicContact OD2-NE 3.81Å; D158-R160 PolarHBondContact OD2-NE 3.24Å; D158-R160 IonicContact OD2-NH2 3.7Å; D158-R160 PolarHBondContact OD2-NH2 3.2Å; R160-I163 PolarHBondContact O-N 2.89Å; R160-C164 WeakPolarHBondContact O-CB 3.41Å; R160-C164 PolarHBondContact O-N 3.47Å
161V98.3Very high97.7Very high0 Ų07.7 Ų7.70%04%0.036CC..Hα-helixtrans-69.3-41.6177.4-1740000110.5L8 F119 F125 I155 D158 P159 I163 G165 F202L8-V161 HydrophobicContact CD2-CG2 4.09Å; F119-V161 HydrophobicContact CE1-CG2 4Å; F119-V161 HydrophobicContact CZ-CG2 4.13Å; F125-V161 HydrophobicContact CB-CB 4.45Å; F125-V161 HydrophobicContact CB-CG1 4.05Å; F125-V161 HydrophobicContact CB-CG2 3.85Å; F125-V161 HydrophobicContact CD1-CG2 4.39Å; F125-V161 HydrophobicContact CD2-CG2 4.26Å; F125-V161 HydrophobicContact CG-CG2 3.91Å; I155-V161 HydrophobicContact CG2-CB 4.49Å; I155-V161 HydrophobicContact CG2-CG1 3.83Å; I155-V161 HydrophobicContact CG2-CG2 4.22Å; D158-V161 HydrophobicContact CB-CG2 3.93Å; D158-V161 WeakPolarHBondContact O-CB 3.25Å; D158-V161 PolarHBondContact O-N 3.33Å; P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 3.28Å; V161-I163 VanDerWaalsContact C-N 3.32Å; V161-I163 PolarHBondContact O-N 3.28Å; V161-G165 WeakPolarHBondContact O-CA 3.48Å; V161-G165 PolarHBondContact O-N 3.34Å; V161-F202 HydrophobicContact CG1-CD1 4.23Å; V161-F202 HydrophobicContact CG1-CE1 4.03Å
162Q98Very high97.6Very high5 Ų58.1 Ų8.12%0.0234%0.038CC..Hα-helixtrans-59.5-44.1175.1-60.2168.69.500111.4A61 L156 D158 P159A61-Q162 HydrophobicContact CB-CG 4.23Å; L156-Q162 HydrophobicContact CD1-CG 4.4Å; L156-Q162 WeakPolarHBondContact O-CG 3.39Å; L156-Q162 PolarHBondContact O-NE2 2.89Å; D158-Q162 PolarHBondContact O-N 3.4Å; P159-Q162 PolarHBondContact O-N 3.41Å
163I97.9Very high97.5Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-71.7-48-178.1-69.5163.5000111.4I14 F18 K21 P159 R160 V161 R203I14-I163 HydrophobicContact CD1-CD1 3.92Å; I14-I163 HydrophobicContact CG1-CD1 4.48Å; I14-I163 HydrophobicContact CG2-CD1 4.46Å; F18-I163 HydrophobicContact CB-CD1 4.46Å; K21-I163 HydrophobicContact CB-CG2 3.95Å; P159-I163 WeakPolarHBondContact O-CB 3.29Å; P159-I163 WeakPolarHBondContact O-CD1 3.28Å; P159-I163 WeakPolarHBondContact O-CG1 3.33Å; P159-I163 PolarHBondContact O-N 3.38Å; R160-I163 PolarHBondContact O-N 2.89Å; V161-I163 VanDerWaalsContact C-N 3.32Å; V161-I163 PolarHBondContact O-N 3.28Å; I163-R203 PolarHBondContact O-NH1 3.34Å
164C97.9Very high97.4Very high0 Ų013.8 Ų13.80%09%0.086CC..Hα-helixtrans-97.2-24.3-169.9-69.70000114.1G123 R160 K205G123-C164 WeakPolarHBondContact O-CB 3.38Å; R160-C164 WeakPolarHBondContact O-CB 3.41Å; R160-C164 PolarHBondContact O-N 3.47Å; C164-K205 WeakPolarHBondContact O-CD 3.48Å; C164-K205 WeakPolarHBondContact O-CE 3.38Å; C164-K205 PolarHBondContact O-NZ 2.96Å
165G97.8Very high97.2Very high0 Ų014.4 Ų14.40%09%0.091CC..  trans98.1179.417800000114.6F125 V161 R203F125-G165 PolarHBondContact N-O 2.94Å; V161-G165 WeakPolarHBondContact O-CA 3.48Å; V161-G165 PolarHBondContact O-N 3.34Å; G165-R203 CarbonylContact C-O 3.52Å; G165-R203 WeakPolarHBondContact CA-O 3.34Å
166L98.2Very high96.7Very high1 Ų116.5 Ų16.51%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-118135.7-172.8178.166.8000110.7F125 F127 I155 V168 F202 R203 M204 K205F125-L166 HydrophobicContact CB-CD1 4.49Å; F125-L166 HydrophobicContact CD1-CD1 3.82Å; F125-L166 CarbonylContact O-C 3.46Å; F127-L166 HydrophobicContact CB-CD1 3.86Å; I155-L166 HydrophobicContact CG2-CD1 4.43Å; L166-V168 HydrophobicContact CD2-CG2 4.17Å; L166-V168 HydrophobicContact CG-CG2 4.25Å; L166-F202 HydrophobicContact CB-CB 4.44Å; L166-F202 HydrophobicContact CB-CD1 4.13Å; L166-F202 HydrophobicContact CB-CG 4.38Å; L166-F202 HydrophobicContact CD2-CB 4.48Å; L166-F202 HydrophobicContact CD2-CD1 4.09Å; L166-F202 HydrophobicContact CD2-CD2 4.03Å; L166-F202 HydrophobicContact CD2-CE1 4.31Å; L166-F202 HydrophobicContact CD2-CE2 4.25Å; L166-F202 HydrophobicContact CD2-CG 3.94Å; L166-F202 HydrophobicContact CD2-CZ 4.37Å; L166-R203 PolarHBondContact N-O 3.06Å; L166-M204 HydrophobicContact CD2-CE 4.18Å; L166-M204 CarbonylContact O-C 3.56Å; L166-K205 PolarHBondContact O-N 2.85Å
167R98.1Very high96Very high28 Ų2821.3 Ų21.311%0.10614%0.137CC..EExtended strand (participates in β ladder)trans-116.2135.2164.7179.7174.3-69.9-91.12.8108.9T124 F125 L126 F127 K205 G206 V249T124-R167 HydrophobicContact CG2-CB 3.8Å; F125-R167 PolarHBondContact O-N 3.48Å; L126-R167 WeakPolarHBondContact CA-O 3.45Å; L126-R167 HydrophobicContact CD1-CB 4.19Å; L126-R167 HydrophobicContact CD1-CG 3.96Å; F127-R167 PolarHBondContact N-O 3.11Å; R167-K205 PolarHBondContact NH2-O 3.35Å; R167-G206 VanDerWaalsContact CA-O 3.3Å; R167-G206 WeakPolarHBondContact CA-O 3.37Å; R167-G206 WeakPolarHBondContact CG-O 3.4Å; R167-V249 VanDerWaalsContact CZ-CG1 3.42Å; R167-V249 VanDerWaalsContact CZ-CG2 3.45Å
168V98.2Very high95.5Very high16 Ų1624.1 Ų24.110%0.09716%0.158CC..EExtended strand (participates in β ladder)trans-105.4136176.6-175.20000109.6F127 V129 L166 I170 M204 G206 I207 V208F127-V168 CarbonylContact O-C 3.45Å; F127-V168 VanDerWaalsContact O-CA 3.27Å; F127-V168 WeakPolarHBondContact O-CA 3.33Å; V129-V168 HydrophobicContact CG2-CG1 4.33Å; L166-V168 HydrophobicContact CD2-CG2 4.17Å; L166-V168 HydrophobicContact CG-CG2 4.25Å; V168-I170 HydrophobicContact CG1-CD1 4.24Å; V168-I170 HydrophobicContact CG1-CG1 3.74Å; V168-M204 HydrophobicContact CG2-CE 4.08Å; V168-M204 HydrophobicContact CG2-SD 4.2Å; V168-G206 PolarHBondContact N-O 3.5Å; V168-I207 HydrophobicContact CB-CG1 4.33Å; V168-I207 HydrophobicContact CB-CG2 4.49Å; V168-I207 CarbonylContact O-C 3.49Å; V168-I207 VanDerWaalsContact O-CA 3.29Å; V168-I207 WeakPolarHBondContact O-CA 3.44Å; V168-V208 PolarHBondContact O-N 3.25Å
169F98.3Very high95Very high0 Ų024.6 Ų24.60%016%0.161CC..EExtended strand (participates in β ladder)trans-116.3115.1171.7-171.5-77.7000108.7L126 F127 M128 V129 D171 V208 Y210 I242 L256 Y260L126-F169 HydrophobicContact CD1-CB 4.09Å; F127-F169 PolarHBondContact O-N 3.24Å; M128-F169 CarbonylContact C-O 3.56Å; M128-F169 VanDerWaalsContact CA-O 3.23Å; M128-F169 WeakPolarHBondContact CA-O 3.43Å; M128-F169 HydrophobicContact CB-CB 4.29Å; M128-F169 HydrophobicContact CE-CD1 3.83Å; M128-F169 HydrophobicContact CE-CE1 4.21Å; M128-F169 HydrophobicContact CE-CG 4.22Å; M128-F169 HydrophobicContact CG-CB 4.45Å; M128-F169 HydrophobicContact CG-CD1 4.03Å; V129-F169 PolarHBondContact N-O 2.93Å; F169-D171 HydrophobicContact CD1-CB 4.44Å; F169-D171 HydrophobicContact CE1-CB 4.11Å; F169-V208 HydrophobicContact CD2-CB 3.71Å; F169-V208 HydrophobicContact CD2-CG1 3.76Å; F169-V208 HydrophobicContact CD2-CG2 4.34Å; F169-V208 HydrophobicContact CE2-CB 4.14Å; F169-V208 HydrophobicContact CE2-CG1 3.63Å; F169-V208 HydrophobicContact CG-CB 4.4Å; F169-V208 HydrophobicContact CZ-CG1 4.49Å; F169-Y210 HydrophobicContact CE1-CD1 4.18Å; F169-Y210 HydrophobicContact CE1-CG 4.19Å; F169-Y210 HydrophobicContact CZ-CD1 4.17Å; F169-Y210 AromaticContact CZ-CG 3.87Å; F169-Y210 HydrophobicContact CZ-CG 3.87Å; F169-I242 HydrophobicContact CE2-CD1 3.56Å; F169-I242 HydrophobicContact CZ-CD1 3.66Å; F169-L256 HydrophobicContact CD2-CD2 4.12Å; F169-L256 HydrophobicContact CE2-CD1 4.03Å; F169-L256 HydrophobicContact CE2-CD2 4.22Å; F169-L256 HydrophobicContact CG-CD2 4.48Å; F169-Y260 HydrophobicContact CE1-CD1 4.05Å; F169-Y260 AromaticContact CE1-CE1 3.9Å; F169-Y260 HydrophobicContact CE1-CE1 3.9Å; F169-Y260 HydrophobicContact CZ-CD1 4.08Å; F169-Y260 HydrophobicContact CZ-CE1 4.38Å
170I97.6Very high94.5Very high27 Ų2725.3 Ų25.314%0.13816%0.164CC..EExtended strand (participates in β ladder)trans-107.7111.8-179.1-48.5-168.6000108.5V129 I131 V168 F172 I207 V208 Y209 Y210V129-I170 WeakPolarHBondContact O-CA 3.41Å; I131-I170 HydrophobicContact CD1-CG2 3.39Å; I131-I170 HydrophobicContact CG1-CG2 3.99Å; V168-I170 HydrophobicContact CG1-CD1 4.24Å; V168-I170 HydrophobicContact CG1-CG1 3.74Å; I170-F172 HydrophobicContact CB-CD2 4.5Å; I170-F172 HydrophobicContact CB-CE2 3.82Å; I170-F172 HydrophobicContact CB-CZ 4.21Å; I170-F172 HydrophobicContact CG2-CD2 3.99Å; I170-F172 HydrophobicContact CG2-CE1 4.07Å; I170-F172 HydrophobicContact CG2-CE2 3.43Å; I170-F172 VanDerWaalsContact CG2-CE2 3.43Å; I170-F172 HydrophobicContact CG2-CZ 3.47Å; I170-F172 VanDerWaalsContact CG2-CZ 3.47Å; I170-I207 HydrophobicContact CD1-CG2 4.28Å; I170-I207 HydrophobicContact CG1-CG2 4.4Å; I170-V208 PolarHBondContact N-O 3.28Å; I170-Y209 HydrophobicContact CB-CD1 4.09Å; I170-Y209 HydrophobicContact CB-CE1 4.27Å; I170-Y209 HydrophobicContact CD1-CD1 4.27Å; I170-Y209 HydrophobicContact CD1-CE1 3.61Å; I170-Y209 HydrophobicContact CG1-CD1 4.31Å; I170-Y209 HydrophobicContact CG1-CE1 4.13Å; I170-Y210 PolarHBondContact O-N 3.5Å
171D97.8Very high93.8Very high7 Ų730.2 Ų30.24%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-95.6116.5174179.114.8000109.8V129 R130 I131 F169 T173 Y210 Y260V129-D171 PolarHBondContact O-N 3Å; R130-D171 CarbonylContact C-O 3.6Å; R130-D171 HydrophobicContact CG-CB 4.31Å; I131-D171 PolarHBondContact N-O 2.87Å; F169-D171 HydrophobicContact CD1-CB 4.44Å; F169-D171 HydrophobicContact CE1-CB 4.11Å; D171-T173 WeakPolarHBondContact OD1-CB 3.41Å; D171-T173 PolarHBondContact OD1-N 3.45Å; D171-T173 PolarHBondContact OD1-OG1 3.31Å; D171-Y210 HydrophobicContact CB-CD1 4.39Å; D171-Y210 WeakPolarHBondContact OD1-CD1 3.2Å; D171-Y260 HydrophobicContact CB-CE1 4.22Å; D171-Y260 WeakPolarHBondContact OD2-CE1 3.38Å; D171-Y260 PolarHBondContact OD2-OH 3.1Å
172F96.5Very high93.1Very high10 Ų1033.9 Ų33.94%0.04421%0.214CC..  trans-989.1178.2-63.7-92.7000112.8I131 I170 G174 V175 Y209 Y210 N211 E212 M216I131-F172 HydrophobicContact CD1-CD1 3.57Å; I131-F172 HydrophobicContact CD1-CE1 3.34Å; I131-F172 HydrophobicContact CD1-CG 4.34Å; I131-F172 HydrophobicContact CD1-CZ 3.99Å; I170-F172 HydrophobicContact CB-CD2 4.5Å; I170-F172 HydrophobicContact CB-CE2 3.82Å; I170-F172 HydrophobicContact CB-CZ 4.21Å; I170-F172 HydrophobicContact CG2-CD2 3.99Å; I170-F172 HydrophobicContact CG2-CE1 4.07Å; I170-F172 HydrophobicContact CG2-CE2 3.43Å; I170-F172 VanDerWaalsContact CG2-CE2 3.43Å; I170-F172 HydrophobicContact CG2-CZ 3.47Å; I170-F172 VanDerWaalsContact CG2-CZ 3.47Å; F172-G174 PolarHBondContact O-N 2.93Å; F172-V175 HydrophobicContact CB-CG2 4.07Å; F172-V175 HydrophobicContact CD1-CG2 4.27Å; F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 VanDerWaalsContact O-CG2 3.22Å; F172-V175 WeakPolarHBondContact O-CG2 3.3Å; F172-V175 PolarHBondContact O-N 3.45Å; F172-V175 VanDerWaalsContact O-N 3.12Å; F172-Y209 AromaticContact CE2-CD1 3.95Å; F172-Y209 HydrophobicContact CE2-CD1 3.95Å; F172-Y209 AromaticContact CE2-CD2 3.7Å; F172-Y209 HydrophobicContact CE2-CD2 3.7Å; F172-Y209 HydrophobicContact CE2-CE1 4.31Å; F172-Y209 HydrophobicContact CE2-CE2 4.07Å; F172-Y209 AromaticContact CE2-CG 3.62Å; F172-Y209 HydrophobicContact CE2-CG 3.62Å; F172-Y209 HydrophobicContact CZ-CD1 4.43Å; F172-Y209 HydrophobicContact CZ-CD2 4Å; F172-Y209 HydrophobicContact CZ-CE1 4.35Å; F172-Y209 AromaticContact CZ-CE2 3.9Å; F172-Y209 HydrophobicContact CZ-CE2 3.9Å; F172-Y209 HydrophobicContact CZ-CG 4.27Å; F172-Y210 WeakPolarHBondContact CD2-O 3.3Å; F172-Y210 PolarHBondContact N-O 3.21Å; F172-N211 VanDerWaalsContact CB-O 3.3Å; F172-N211 WeakPolarHBondContact CB-O 3.21Å; F172-E212 HydrophobicContact CD2-CB 3.67Å; F172-E212 HydrophobicContact CE2-CB 3.99Å; F172-E212 HydrophobicContact CG-CB 4.09Å; F172-M216 HydrophobicContact CD1-CE 3.86Å; F172-M216 HydrophobicContact CE1-CE 3.3Å; F172-M216 HydrophobicContact CE1-CG 4.18Å; F172-M216 HydrophobicContact CE1-SD 3.79Å; F172-M216 HydrophobicContact CZ-CE 4.16Å; F172-M216 HydrophobicContact CZ-CG 4.43Å; F172-M216 HydrophobicContact CZ-SD 4.06Å
173T96Very high92.4Very high66 Ų6634.7 Ų34.741%0.40522%0.22SC..THydrogen-bonded Turntrans-55.2126.7174.4-53.70000110.1G132 D171 V175 N211G132-T173 WeakPolarHBondContact CA-O 3.42Å; D171-T173 WeakPolarHBondContact OD1-CB 3.41Å; D171-T173 PolarHBondContact OD1-N 3.45Å; D171-T173 PolarHBondContact OD1-OG1 3.31Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-V175 PolarHBondContact O-N 3.32Å; T173-N211 PolarHBondContact OG1-ND2 3.49Å
174G93.6Very high91.7Very high64 Ų6438.7 Ų38.766%0.6624%0.241SC*.THydrogen-bonded Turntrans78.19.8178.400000115.5F172 S176F172-G174 PolarHBondContact O-N 2.93Å; G174-S176 PolarHBondContact O-N 3.28Å
175V92.7Very high91.1Very high22 Ų2239.7 Ų39.713%0.13325%0.248CC..  trans-68.6114174.8174.30000110.3I131 F172 T173 L180I131-V175 HydrophobicContact CB-CG2 3.56Å; I131-V175 HydrophobicContact CG2-CG2 3.5Å; F172-V175 HydrophobicContact CB-CG2 4.07Å; F172-V175 HydrophobicContact CD1-CG2 4.27Å; F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 VanDerWaalsContact O-CG2 3.22Å; F172-V175 WeakPolarHBondContact O-CG2 3.3Å; F172-V175 PolarHBondContact O-N 3.45Å; F172-V175 VanDerWaalsContact O-N 3.12Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-V175 PolarHBondContact O-N 3.32Å; V175-L180 HydrophobicContact CG1-CD1 3.98Å; V175-L180 HydrophobicContact CG1-CD2 3.81Å; V175-L180 HydrophobicContact CG1-CG 3.67Å
176S87.9Confident90.5Very high43 Ų4341.3 Ų41.330%0.30126%0.255SS..  trans-83.1154.3175.968.70000111.9G174 S178 L179 L180G174-S176 PolarHBondContact O-N 3.28Å; S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 3.17Å; S176-S178 PolarHBondContact OG-OG 3.24Å; S176-L179 PolarHBondContact O-N 3.45Å; S176-L179 WeakPolarHBondContact OG-CB 3.43Å; S176-L179 PolarHBondContact OG-N 3.26Å; S176-L179 VanDerWaalsContact OG-N 3.15Å; S176-L180 PolarHBondContact O-N 3.07Å
177P84Confident90Very high101 Ų10145 Ų4566%0.65627%0.271SS*.Hα-helixtrans-55.2-41.2169.4-26.735.7000113L179 L180 D181P177-L179 VanDerWaalsContact C-N 3.3Å; P177-L179 PolarHBondContact O-N 3.1Å; P177-L180 WeakPolarHBondContact O-CA 3.31Å; P177-L180 WeakPolarHBondContact O-CB 3.39Å; P177-L180 PolarHBondContact O-N 2.89Å; P177-D181 PolarHBondContact O-N 3.03Å
178S85.7Confident89.6Confident75 Ų7544.5 Ų44.552%0.52427%0.271SS..Hα-helixtrans-60.8-35.7178.857.60000113.7S176 T182S176-S178 VanDerWaalsContact C-N 3.27Å; S176-S178 PolarHBondContact O-N 3.17Å; S176-S178 PolarHBondContact OG-OG 3.24Å; S178-T182 PolarHBondContact O-N 3.26Å; S178-T182 PolarHBondContact O-OG1 3.46Å
179L87.2Confident89.2Confident10 Ų1045.2 Ų45.25%0.05227%0.274CS..Hα-helixtrans-67.3-43.3174.4-178.560.9000110.4I131 W134 N136 S176 P177 D181 T182 V183I131-L179 HydrophobicContact CG2-CD2 3.96Å; W134-L179 HydrophobicContact CD2-CD1 4.01Å; W134-L179 HydrophobicContact CE3-CD1 3.76Å; W134-L179 HydrophobicContact CE3-CD2 4.45Å; W134-L179 HydrophobicContact CE3-CG 4.47Å; W134-L179 HydrophobicContact CH2-CD1 4.29Å; W134-L179 HydrophobicContact CZ2-CD1 4.5Å; W134-L179 HydrophobicContact CZ3-CD1 3.95Å; N136-L179 HydrophobicContact CB-CD1 4.14Å; S176-L179 PolarHBondContact O-N 3.45Å; S176-L179 WeakPolarHBondContact OG-CB 3.43Å; S176-L179 PolarHBondContact OG-N 3.26Å; S176-L179 VanDerWaalsContact OG-N 3.15Å; P177-L179 VanDerWaalsContact C-N 3.3Å; P177-L179 PolarHBondContact O-N 3.1Å; L179-D181 PolarHBondContact O-N 2.85Å; L179-T182 PolarHBondContact O-N 2.9Å; L179-V183 HydrophobicContact CD1-CG2 4.28Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.29Å; L179-V183 VanDerWaalsContact O-N 3.08Å
180L85.8Confident88.8Confident27 Ų2746.5 Ų46.514%0.14128%0.279CS..Hα-helixtrans-62.1-42.6177.2-67.6169.8000111.8V175 S176 P177 T182 V183 N184 P185 I215 M216V175-L180 HydrophobicContact CG1-CD1 3.98Å; V175-L180 HydrophobicContact CG1-CD2 3.81Å; V175-L180 HydrophobicContact CG1-CG 3.67Å; S176-L180 PolarHBondContact O-N 3.07Å; P177-L180 WeakPolarHBondContact O-CA 3.31Å; P177-L180 WeakPolarHBondContact O-CB 3.39Å; P177-L180 PolarHBondContact O-N 2.89Å; L180-T182 VanDerWaalsContact C-N 3.29Å; L180-T182 PolarHBondContact O-N 3.35Å; L180-V183 PolarHBondContact O-N 3.46Å; L180-N184 PolarHBondContact O-N 3.1Å; L180-P185 WeakPolarHBondContact O-CD 3.43Å; L180-I215 HydrophobicContact CD1-CG2 3.75Å; L180-M216 HydrophobicContact CD2-CE 4.02Å
181D82.6Confident88.6Confident132 Ų13245.5 Ų45.571%0.70627%0.274SS*.Hα-helixtrans-60.9-41.6177.6-65.4-25.5000111.3P177 L179 V183P177-D181 PolarHBondContact O-N 3.03Å; L179-D181 PolarHBondContact O-N 2.85Å; D181-V183 PolarHBondContact O-N 3.06Å
182T83.3Confident88.4Confident77 Ų7746.8 Ų46.847%0.47228%0.28SS..Hα-helixtrans-69.8-31.7-179.5-51.90000113.4N136 S178 L179 L180 N184N136-T182 VanDerWaalsContact ND2-CB 3.29Å; N136-T182 WeakPolarHBondContact ND2-CB 3.43Å; N136-T182 WeakPolarHBondContact ND2-CG2 3.27Å; N136-T182 PolarHBondContact ND2-OG1 3.25Å; N136-T182 VanDerWaalsContact ND2-OG1 3.1Å; S178-T182 PolarHBondContact O-N 3.26Å; S178-T182 PolarHBondContact O-OG1 3.46Å; L179-T182 PolarHBondContact O-N 2.9Å; L180-T182 VanDerWaalsContact C-N 3.29Å; L180-T182 PolarHBondContact O-N 3.35Å; T182-N184 VanDerWaalsContact C-N 3.34Å
183V83.2Confident88.2Confident22 Ų2247 Ų4713%0.13328%0.283CS..Hα-helixtrans-76.2-24.4-176.1171.80000112.9W134 L179 L180 D181 T188W134-V183 HydrophobicContact CE3-CG2 4.29Å; W134-V183 HydrophobicContact CH2-CG2 3.38Å; W134-V183 HydrophobicContact CZ3-CG2 3.17Å; L179-V183 HydrophobicContact CD1-CG2 4.28Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.29Å; L179-V183 VanDerWaalsContact O-N 3.08Å; L180-V183 PolarHBondContact O-N 3.46Å; D181-V183 PolarHBondContact O-N 3.06Å; V183-T188 HydrophobicContact CG1-CG2 4.2Å; V183-T188 PolarHBondContact O-OG1 2.96Å
184N83.9Confident88Confident84 Ų8445.9 Ų45.945%0.44927%0.272SS..  trans46.671.3-162.2-172.6-16000110.6L180 T182 K186 K187 T188L180-N184 PolarHBondContact O-N 3.1Å; T182-N184 VanDerWaalsContact C-N 3.34Å; N184-K186 PolarHBondContact O-N 3.35Å; N184-K186 VanDerWaalsContact O-N 3.1Å; N184-K187 PolarHBondContact O-N 2.98Å; N184-K187 VanDerWaalsContact O-N 3.14Å; N184-K187 PolarHBondContact OD1-N 3.28Å; N184-T188 PolarHBondContact O-N 3.17Å; N184-T188 PolarHBondContact O-OG1 3.06Å
185P83.9Confident88.1Confident21 Ų2143 Ų4314%0.13624%0.242CC..Hα-helixtrans-58.8-29.9-170.521.1-34.9000112.6L180 I189 L219L180-P185 WeakPolarHBondContact O-CD 3.43Å; P185-I189 HydrophobicContact CB-CD1 4.22Å; P185-I189 WeakPolarHBondContact O-CB 3.33Å; P185-I189 WeakPolarHBondContact O-CD1 3.45Å; P185-I189 WeakPolarHBondContact O-CG1 3.38Å; P185-I189 PolarHBondContact O-N 2.82Å; P185-L219 HydrophobicContact CB-CD1 3.76Å; P185-L219 HydrophobicContact CB-CD2 4.26Å; P185-L219 HydrophobicContact CG-CD1 3.95Å; P185-L219 HydrophobicContact CG-CD2 4.26Å
186K85.5Confident88.1Confident34 Ų3444.5 Ų44.515%0.14825%0.249CC..Hα-helixtrans-59.6-54.9176.2-59.8-173.2-158.8174.20111.1N184 R190 L219 L222 D315 V318N184-K186 PolarHBondContact O-N 3.35Å; N184-K186 VanDerWaalsContact O-N 3.1Å; K186-R190 VanDerWaalsContact O-CB 3.32Å; K186-R190 WeakPolarHBondContact O-CB 3.38Å; K186-R190 PolarHBondContact O-N 3.46Å; K186-L219 HydrophobicContact CG-CD2 3.81Å; K186-L222 HydrophobicContact CD-CD1 4.09Å; K186-L222 HydrophobicContact CG-CD1 4.13Å; K186-D315 IonicContact NZ-OD1 3.7Å; K186-D315 PolarHBondContact NZ-OD1 3.28Å; K186-V318 HydrophobicContact CD-CG2 4.36Å; K186-V318 VanDerWaalsContact CE-CB 3.48Å; K186-V318 VanDerWaalsContact CE-CG2 3.45Å
187K88.2Confident88.4Confident79 Ų7943.2 Ų43.234%0.34324%0.238SC..Hα-helixtrans-62.8-49.6179.6-177.7-177.4-176.2-58.60110.9N184 I189 R190 D191N184-K187 PolarHBondContact O-N 2.98Å; N184-K187 VanDerWaalsContact O-N 3.14Å; N184-K187 PolarHBondContact OD1-N 3.28Å; K187-I189 PolarHBondContact O-N 3.42Å; K187-R190 WeakPolarHBondContact O-CB 3.35Å; K187-R190 PolarHBondContact O-N 2.85Å; K187-D191 WeakPolarHBondContact CG-OD2 3.37Å; K187-D191 IonicContact NZ-OD2 3.56Å; K187-D191 PolarHBondContact NZ-OD2 3Å; K187-D191 WeakPolarHBondContact O-CB 3.24Å; K187-D191 VanDerWaalsContact O-CG 3.24Å; K187-D191 PolarHBondContact O-N 3.19Å
188T90.1Very high88.8Confident18 Ų1838.6 Ų38.611%0.1121%0.208CC..Hα-helixtrans-63.3-43.2-175.8-62.70000112L145 V183 N184 L192L145-T188 HydrophobicContact CD1-CG2 4.47Å; L145-T188 HydrophobicContact CD2-CG2 4.05Å; V183-T188 HydrophobicContact CG1-CG2 4.2Å; V183-T188 PolarHBondContact O-OG1 2.96Å; N184-T188 PolarHBondContact O-N 3.17Å; N184-T188 PolarHBondContact O-OG1 3.06Å; T188-L192 HydrophobicContact CG2-CD1 3.86Å; T188-L192 WeakPolarHBondContact O-CB 3.47Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.82Å
189I89.8Confident89.3Confident30 Ų3035.1 Ų35.115%0.15418%0.183CC..Hα-helixtrans-65.5-42.5176.2-70.6169000111P185 K187 S193 L219 L223 W226P185-I189 HydrophobicContact CB-CD1 4.22Å; P185-I189 WeakPolarHBondContact O-CB 3.33Å; P185-I189 WeakPolarHBondContact O-CD1 3.45Å; P185-I189 WeakPolarHBondContact O-CG1 3.38Å; P185-I189 PolarHBondContact O-N 2.82Å; K187-I189 PolarHBondContact O-N 3.42Å; I189-S193 WeakPolarHBondContact O-CB 3.43Å; I189-S193 PolarHBondContact O-N 3.5Å; I189-S193 PolarHBondContact O-OG 2.9Å; I189-L219 HydrophobicContact CD1-CB 4.3Å; I189-L219 HydrophobicContact CD1-CD1 4.26Å; I189-L223 HydrophobicContact CG2-CB 4.18Å; I189-L223 HydrophobicContact CG2-CD1 3.66Å; I189-L223 HydrophobicContact CG2-CD2 4.19Å; I189-L223 HydrophobicContact CG2-CG 4.21Å; I189-W226 HydrophobicContact CG2-CZ3 4.38Å
190R89.9Confident89.8Confident28 Ų2834.7 Ų34.711%0.10618%0.181CC..Hα-helixtrans-57.5-53.1176.7-176.6-169.266.6-168.81.2111.2K186 K187 S193 K194 W226 Y310 E312K186-R190 VanDerWaalsContact O-CB 3.32Å; K186-R190 WeakPolarHBondContact O-CB 3.38Å; K186-R190 PolarHBondContact O-N 3.46Å; K187-R190 WeakPolarHBondContact O-CB 3.35Å; K187-R190 PolarHBondContact O-N 2.85Å; R190-S193 PolarHBondContact O-N 3.1Å; R190-K194 PolarHBondContact O-N 3.34Å; R190-W226 HydrophobicContact CB-CD2 4.31Å; R190-W226 HydrophobicContact CB-CE3 3.92Å; R190-W226 HydrophobicContact CB-CH2 3.71Å; R190-W226 HydrophobicContact CB-CZ2 4.07Å; R190-W226 HydrophobicContact CB-CZ3 3.62Å; R190-W226 HydrophobicContact CG-CD2 4.11Å; R190-W226 HydrophobicContact CG-CE3 4.24Å; R190-W226 HydrophobicContact CG-CH2 4.17Å; R190-W226 HydrophobicContact CG-CZ2 4Å; R190-W226 HydrophobicContact CG-CZ3 4.28Å; R190-Y310 HydrophobicContact CG-CD1 4.23Å; R190-E312 IonicContact CZ-OE1 2.82Å; R190-E312 VanDerWaalsContact NH1-CG 3.32Å; R190-E312 IonicContact NH1-OE1 2.86Å; R190-E312 PolarHBondContact NH1-OE1 3.09Å; R190-E312 IonicContact NH2-OE1 2.79Å
191D93.1Very high90.4Very high6 Ų633.4 Ų33.43%0.03217%0.174CC..Hα-helixtrans-68.7-41.4-173.3-64.8-9000111.2V91 W94 K187 K194 L195V91-D191 HydrophobicContact CG1-CB 3.85Å; W94-D191 HydrophobicContact CH2-CB 3.67Å; W94-D191 HydrophobicContact CZ2-CB 4.36Å; W94-D191 HydrophobicContact CZ3-CB 4.41Å; K187-D191 WeakPolarHBondContact CG-OD2 3.37Å; K187-D191 IonicContact NZ-OD2 3.56Å; K187-D191 PolarHBondContact NZ-OD2 3Å; K187-D191 WeakPolarHBondContact O-CB 3.24Å; K187-D191 VanDerWaalsContact O-CG 3.24Å; K187-D191 PolarHBondContact O-N 3.19Å; D191-K194 PolarHBondContact O-N 3.38Å; D191-L195 PolarHBondContact O-N 3.44Å
192L93.7Very high91.1Very high34 Ų3427.5 Ų27.518%0.17814%0.142CC..Hα-helixtrans-65.1-37.8172.7-74.4171.5000112.5W94 L145 L148 M149 T188 K194 L195 L196W94-L192 HydrophobicContact CH2-CD2 4.38Å; W94-L192 HydrophobicContact CH2-CG 4.25Å; W94-L192 HydrophobicContact CZ3-CD2 3.73Å; W94-L192 HydrophobicContact CZ3-CG 4.06Å; L145-L192 HydrophobicContact CD2-CD1 4.25Å; L145-L192 HydrophobicContact CD2-CD2 4.49Å; L148-L192 HydrophobicContact CD2-CD1 4.28Å; L148-L192 HydrophobicContact CD2-CD2 3.84Å; M149-L192 HydrophobicContact CE-CD2 3.65Å; T188-L192 HydrophobicContact CG2-CD1 3.86Å; T188-L192 WeakPolarHBondContact O-CB 3.47Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 2.82Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-L195 PolarHBondContact O-N 2.91Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.48Å
193S91.7Very high91.7Very high15 Ų1525.6 Ų25.611%0.10513%0.127CC..Hα-helixtrans-64.4-40.9176.6-61.90000111.3I189 R190 Q197 L223I189-S193 WeakPolarHBondContact O-CB 3.43Å; I189-S193 PolarHBondContact O-N 3.5Å; I189-S193 PolarHBondContact O-OG 2.9Å; R190-S193 PolarHBondContact O-N 3.1Å; S193-Q197 VanDerWaalsContact O-CB 3.27Å; S193-Q197 WeakPolarHBondContact O-CB 3.45Å; S193-Q197 WeakPolarHBondContact O-CG 3.2Å; S193-Q197 PolarHBondContact O-N 2.95Å; S193-Q197 PolarHBondContact O-NE2 3.36Å; S193-L223 WeakPolarHBondContact OG-CD1 3.37Å
194K92.4Very high92.3Very high41 Ų4125.4 Ų25.418%0.17812%0.124CC..Hα-helixtrans-61.2-47.9174.4-174.6174.2-177.6176.50111.2L83 R190 D191 L192 L196 Q197 E198 Y310L83-K194 HydrophobicContact CD1-CG 4.42Å; R190-K194 PolarHBondContact O-N 3.34Å; D191-K194 PolarHBondContact O-N 3.38Å; L192-K194 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3.49Å; K194-Q197 PolarHBondContact O-N 3.09Å; K194-E198 HydrophobicContact CG-CG 4.42Å; K194-E198 WeakPolarHBondContact O-CB 3.28Å; K194-E198 PolarHBondContact O-N 3Å; K194-Y310 HydrophobicContact CB-CD1 4.21Å; K194-Y310 HydrophobicContact CB-CD2 4.16Å; K194-Y310 HydrophobicContact CB-CE1 4.05Å; K194-Y310 HydrophobicContact CB-CE2 4.01Å; K194-Y310 HydrophobicContact CB-CG 4.28Å; K194-Y310 HydrophobicContact CD-CD2 4.02Å; K194-Y310 HydrophobicContact CD-CE2 4.37Å; K194-Y310 HydrophobicContact CD-CG 4.48Å; K194-Y310 HydrophobicContact CG-CD2 3.99Å; K194-Y310 HydrophobicContact CG-CE2 3.85Å
195L95.2Very high92.9Very high3 Ų323.7 Ų23.72%0.01611%0.113CC..Iπ-helixtrans-58.6-48.6177.7-80.3175.4000112.9L83 V91 W94 Y95 M149 D191 L192 Q197 A199 Y200L83-L195 HydrophobicContact CB-CD2 3.98Å; L83-L195 HydrophobicContact CD1-CD2 3.92Å; V91-L195 HydrophobicContact CB-CD1 4.19Å; V91-L195 HydrophobicContact CG1-CD1 4.17Å; V91-L195 HydrophobicContact CG2-CD1 4.04Å; V91-L195 HydrophobicContact CG2-CD2 3.9Å; V91-L195 HydrophobicContact CG2-CG 4.12Å; W94-L195 HydrophobicContact CE3-CD1 3.73Å; W94-L195 HydrophobicContact CZ3-CD1 3.62Å; Y95-L195 VanDerWaalsContact OH-CD2 3.3Å; Y95-L195 WeakPolarHBondContact OH-CD2 3.21Å; M149-L195 HydrophobicContact CE-CD1 4.41Å; M149-L195 HydrophobicContact SD-CD1 3.89Å; D191-L195 PolarHBondContact O-N 3.44Å; L192-L195 PolarHBondContact O-N 2.91Å; L195-Q197 PolarHBondContact O-N 3.46Å; L195-A199 HydrophobicContact CD2-CB 4.37Å; L195-A199 PolarHBondContact O-N 2.86Å; L195-A199 VanDerWaalsContact O-N 3.09Å; L195-Y200 HydrophobicContact CB-CD2 4.38Å; L195-Y200 PolarHBondContact O-N 2.96Å
196L94Very high93.5Very high55 Ų5522.7 Ų22.729%0.28811%0.106SC..Iπ-helixtrans-70.6-29.2-177.6-69.5174.8000113.1L152 L192 K194 F202 M204L152-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.48Å; K194-L196 PolarHBondContact O-N 3.49Å; L196-F202 HydrophobicContact CD2-CD2 4.36Å; L196-M204 HydrophobicContact CD1-CE 4.37Å
197Q92.9Very high94.1Very high15 Ų1521.7 Ų21.77%0.0710%0.103CC..Iπ-helixtrans-88.2-34.8-178.5-69.3-172.6100.100113.6S193 K194 L195 W226 V231 Y310S193-Q197 VanDerWaalsContact O-CB 3.27Å; S193-Q197 WeakPolarHBondContact O-CB 3.45Å; S193-Q197 WeakPolarHBondContact O-CG 3.2Å; S193-Q197 PolarHBondContact O-N 2.95Å; S193-Q197 PolarHBondContact O-NE2 3.36Å; K194-Q197 PolarHBondContact O-N 3.09Å; L195-Q197 PolarHBondContact O-N 3.46Å; Q197-W226 PolarHBondContact NE2-O 2.91Å; Q197-V231 HydrophobicContact CG-CG2 4.44Å; Q197-Y310 PolarHBondContact NE2-OH 3.25Å
198E92.7Very high94.6Very high5 Ų518 Ų182%0.0239%0.086CC..Iπ-helixtrans-108.8-26.6-170-52.7-46.9145.700114.5N79 K194 K228 L307 Y310N79-E198 VanDerWaalsContact CB-O 3.3Å; N79-E198 WeakPolarHBondContact CB-O 3.45Å; N79-E198 PolarHBondContact ND2-O 2.95Å; K194-E198 HydrophobicContact CG-CG 4.42Å; K194-E198 WeakPolarHBondContact O-CB 3.28Å; K194-E198 PolarHBondContact O-N 3Å; E198-K228 WeakPolarHBondContact OE1-CE 3.47Å; E198-K228 IonicContact OE1-NZ 2.91Å; E198-K228 PolarHBondContact OE1-NZ 3.23Å; E198-K228 IonicContact OE2-NZ 2.99Å; E198-K228 PolarHBondContact OE2-NZ 2.95Å; E198-L307 HydrophobicContact CB-CD2 4.38Å; E198-Y310 HydrophobicContact CG-CE2 4.39Å; E198-Y310 PolarHBondContact OE1-OH 3.3Å
199A96.5Very high94.9Very high1 Ų117.8 Ų17.81%0.0088%0.084CC..Iπ-helixtrans-117-57-170.600000113.9R76 N79 F80 L83 L195 P201R76-A199 WeakPolarHBondContact CG-O 3.21Å; N79-A199 HydrophobicContact CB-CB 4.45Å; F80-A199 HydrophobicContact CB-CB 4.2Å; F80-A199 HydrophobicContact CD2-CB 4.3Å; F80-A199 WeakPolarHBondContact CD2-O 3.27Å; L83-A199 HydrophobicContact CD1-CB 3.95Å; L195-A199 HydrophobicContact CD2-CB 4.37Å; L195-A199 PolarHBondContact O-N 2.86Å; L195-A199 VanDerWaalsContact O-N 3.09Å; A199-P201 WeakPolarHBondContact O-CD 3.4Å
200Y97.7Very high95.3Very high1 Ų118.2 Ų18.20%0.0048%0.084CC..  trans-67.8127.2-174.6-89.6-95.9000111.3F80 R84 Y95 M149 L152 D153 L156 L195 F202F80-Y200 AromaticContact CE2-CD1 3.98Å; F80-Y200 HydrophobicContact CE2-CD1 3.98Å; F80-Y200 HydrophobicContact CE2-CD2 4.27Å; F80-Y200 AromaticContact CE2-CE1 3.98Å; F80-Y200 HydrophobicContact CE2-CE1 3.98Å; F80-Y200 HydrophobicContact CE2-CE2 4.29Å; F80-Y200 HydrophobicContact CE2-CG 4.13Å; R84-Y200 PolarHBondContact NH2-OH 2.64Å; Y95-Y200 WeakPolarHBondContact OH-CE2 3.32Å; M149-Y200 HydrophobicContact SD-CE2 4.02Å; L152-Y200 HydrophobicContact CB-CD1 4.43Å; L152-Y200 HydrophobicContact CB-CE1 3.73Å; D153-Y200 PolarHBondContact OD1-OH 2.89Å; L156-Y200 HydrophobicContact CD2-CD1 4.05Å; L156-Y200 HydrophobicContact CD2-CE1 4.46Å; L195-Y200 HydrophobicContact CB-CD2 4.38Å; L195-Y200 PolarHBondContact O-N 2.96Å; Y200-F202 AromaticContact CD1-CD2 3.96Å; Y200-F202 HydrophobicContact CD1-CD2 3.96Å; Y200-F202 AromaticContact CD1-CE2 3.49Å; Y200-F202 HydrophobicContact CD1-CE2 3.49Å; Y200-F202 VanDerWaalsContact CD1-CE2 3.49Å; Y200-F202 HydrophobicContact CD1-CZ 4.35Å; Y200-F202 HydrophobicContact CE1-CE2 4.21Å; Y200-F202 HydrophobicContact CG-CD2 4.22Å; Y200-F202 HydrophobicContact CG-CE2 4.16Å; Y200-F202 PolarHBondContact O-N 3.45Å
201P97.7Very high95.6Very high0 Ų019.5 Ų19.50%09%0.093CC..  trans-79.146.8177.930.8-32.2000112.8A61 F62 Q65 L156 A199A61-P201 HydrophobicContact CB-CG 4.02Å; F62-P201 HydrophobicContact CD1-CB 3.85Å; F62-P201 HydrophobicContact CD1-CG 3.87Å; F62-P201 HydrophobicContact CD2-CG 4.35Å; F62-P201 HydrophobicContact CE1-CB 4.12Å; F62-P201 HydrophobicContact CE1-CG 3.69Å; F62-P201 HydrophobicContact CE2-CG 4.17Å; F62-P201 HydrophobicContact CG-CB 4.22Å; F62-P201 HydrophobicContact CG-CG 4.18Å; F62-P201 HydrophobicContact CZ-CG 3.85Å; Q65-P201 HydrophobicContact CB-CB 3.74Å; Q65-P201 WeakPolarHBondContact CB-O 3.29Å; Q65-P201 HydrophobicContact CG-CB 4.14Å; Q65-P201 WeakPolarHBondContact CG-O 3.08Å; L156-P201 HydrophobicContact CD1-CG 3.94Å; L156-P201 HydrophobicContact CD2-CG 3.68Å; L156-P201 HydrophobicContact CG-CG 4.33Å; A199-P201 WeakPolarHBondContact O-CD 3.4Å
202F97.7Very high95.6Very high8 Ų820.2 Ų20.24%0.03510%0.096CC..  trans-84.1136166.8-70.5-59.2000111.5L152 I155 L156 V161 L166 L196 Y200 M204L152-F202 HydrophobicContact CB-CE2 4.18Å; L152-F202 HydrophobicContact CB-CZ 4.47Å; L152-F202 HydrophobicContact CD2-CE2 4.08Å; L152-F202 HydrophobicContact CD2-CZ 4.45Å; L152-F202 WeakPolarHBondContact O-CZ 3.03Å; I155-F202 HydrophobicContact CB-CZ 4.43Å; I155-F202 HydrophobicContact CG2-CE1 3.94Å; I155-F202 HydrophobicContact CG2-CZ 4.14Å; L156-F202 HydrophobicContact CB-CE1 3.83Å; L156-F202 HydrophobicContact CB-CZ 3.67Å; L156-F202 HydrophobicContact CD1-CD1 3.86Å; L156-F202 HydrophobicContact CD1-CE1 3.64Å; L156-F202 HydrophobicContact CD1-CG 4.48Å; L156-F202 HydrophobicContact CD1-CZ 4.11Å; L156-F202 HydrophobicContact CG-CE1 4.33Å; L156-F202 HydrophobicContact CG-CZ 4.4Å; V161-F202 HydrophobicContact CG1-CD1 4.23Å; V161-F202 HydrophobicContact CG1-CE1 4.03Å; L166-F202 HydrophobicContact CB-CB 4.44Å; L166-F202 HydrophobicContact CB-CD1 4.13Å; L166-F202 HydrophobicContact CB-CG 4.38Å; L166-F202 HydrophobicContact CD2-CB 4.48Å; L166-F202 HydrophobicContact CD2-CD1 4.09Å; L166-F202 HydrophobicContact CD2-CD2 4.03Å; L166-F202 HydrophobicContact CD2-CE1 4.31Å; L166-F202 HydrophobicContact CD2-CE2 4.25Å; L166-F202 HydrophobicContact CD2-CG 3.94Å; L166-F202 HydrophobicContact CD2-CZ 4.37Å; L196-F202 HydrophobicContact CD2-CD2 4.36Å; Y200-F202 AromaticContact CD1-CD2 3.96Å; Y200-F202 HydrophobicContact CD1-CD2 3.96Å; Y200-F202 AromaticContact CD1-CE2 3.49Å; Y200-F202 HydrophobicContact CD1-CE2 3.49Å; Y200-F202 VanDerWaalsContact CD1-CE2 3.49Å; Y200-F202 HydrophobicContact CD1-CZ 4.35Å; Y200-F202 HydrophobicContact CE1-CE2 4.21Å; Y200-F202 HydrophobicContact CG-CD2 4.22Å; Y200-F202 HydrophobicContact CG-CE2 4.16Å; Y200-F202 PolarHBondContact O-N 3.45Å; F202-M204 PolarHBondContact O-N 2.88Å
203R96.3Very high95.5Very high37 Ų3720.4 Ų20.414%0.1410%0.099CC..  trans-81.987.7160.6-62.7176.466.8-131.8-2.2108.1E25 Q65 I163 G165 L166 K205E25-R203 IonicContact OE2-CZ 3.39Å; E25-R203 IonicContact OE2-NH1 2.66Å; E25-R203 PolarHBondContact OE2-NH1 3.39Å; E25-R203 IonicContact OE2-NH2 3.78Å; E25-R203 PolarHBondContact OE2-NH2 3.14Å; Q65-R203 HydrophobicContact CB-CG 4.49Å; Q65-R203 HydrophobicContact CG-CG 4.13Å; I163-R203 PolarHBondContact O-NH1 3.34Å; G165-R203 CarbonylContact C-O 3.52Å; G165-R203 WeakPolarHBondContact CA-O 3.34Å; L166-R203 PolarHBondContact N-O 3.06Å; R203-K205 WeakPolarHBondContact O-CG 3.43Å; R203-K205 PolarHBondContact O-N 3.25Å
204M96Very high95.4Very high18 Ų1828.3 Ų28.39%0.08913%0.134CC..EExtended strand (participates in β ladder)trans-60.5121.8178-171.958.667.100110.5L166 V168 L196 F202 I207 R234L166-M204 HydrophobicContact CD2-CE 4.18Å; L166-M204 CarbonylContact O-C 3.56Å; V168-M204 HydrophobicContact CG2-CE 4.08Å; V168-M204 HydrophobicContact CG2-SD 4.2Å; L196-M204 HydrophobicContact CD1-CE 4.37Å; F202-M204 PolarHBondContact O-N 2.88Å; M204-I207 HydrophobicContact CG-CD1 4.49Å; M204-I207 HydrophobicContact CG-CG1 4.42Å; M204-I207 HydrophobicContact SD-CD1 4.32Å; M204-I207 HydrophobicContact SD-CG1 3.93Å; M204-R234 PolarHBondContact O-NE 3.1Å; M204-R234 PolarHBondContact O-NH1 2.99Å; M204-R234 PolarHBondContact O-NH2 2.92Å
205K96.8Very high95.2Very high48 Ų4829.3 Ų29.321%0.20914%0.141CC..EExtended strand (participates in β ladder)trans-102.3-22.8-177.4-57-69.2-85.3-151.40112.4E25 T124 C164 L166 R167 R203E25-K205 IonicContact OE2-NZ 3.54Å; E25-K205 PolarHBondContact OE2-NZ 2.66Å; T124-K205 HydrophobicContact CG2-CB 3.84Å; T124-K205 HydrophobicContact CG2-CG 3.72Å; C164-K205 WeakPolarHBondContact O-CD 3.48Å; C164-K205 WeakPolarHBondContact O-CE 3.38Å; C164-K205 PolarHBondContact O-NZ 2.96Å; L166-K205 PolarHBondContact O-N 2.85Å; R167-K205 PolarHBondContact NH2-O 3.35Å; R203-K205 WeakPolarHBondContact O-CG 3.43Å; R203-K205 PolarHBondContact O-N 3.25Å
206G96.4Very high95Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans174.4153.4-176.200000113R167 V168 R234R167-G206 VanDerWaalsContact CA-O 3.3Å; R167-G206 WeakPolarHBondContact CA-O 3.37Å; R167-G206 WeakPolarHBondContact CG-O 3.4Å; V168-G206 PolarHBondContact N-O 3.5Å; G206-R234 WeakPolarHBondContact CA-O 3.43Å
207I97.3Very high94.8Very high14 Ų1430.7 Ų30.77%0.07215%0.146CC..EExtended strand (participates in β ladder)trans-130.2121.1170.4-58.9170.6000107.3V168 I170 M204 Y209 R234 F235 I236V168-I207 HydrophobicContact CB-CG1 4.33Å; V168-I207 HydrophobicContact CB-CG2 4.49Å; V168-I207 CarbonylContact O-C 3.49Å; V168-I207 VanDerWaalsContact O-CA 3.29Å; V168-I207 WeakPolarHBondContact O-CA 3.44Å; I170-I207 HydrophobicContact CD1-CG2 4.28Å; I170-I207 HydrophobicContact CG1-CG2 4.4Å; M204-I207 HydrophobicContact CG-CD1 4.49Å; M204-I207 HydrophobicContact CG-CG1 4.42Å; M204-I207 HydrophobicContact SD-CD1 4.32Å; M204-I207 HydrophobicContact SD-CG1 3.93Å; I207-Y209 HydrophobicContact CG2-CD1 3.86Å; I207-Y209 HydrophobicContact CG2-CE1 3.57Å; I207-R234 PolarHBondContact N-O 2.97Å; I207-F235 HydrophobicContact CB-CD1 3.97Å; I207-F235 HydrophobicContact CB-CE1 3.92Å; I207-F235 HydrophobicContact CB-CE2 4.5Å; I207-F235 HydrophobicContact CB-CG 4.32Å; I207-F235 HydrophobicContact CB-CZ 4.2Å; I207-F235 HydrophobicContact CD1-CD2 4.45Å; I207-F235 HydrophobicContact CD1-CE1 3.93Å; I207-F235 HydrophobicContact CD1-CE2 3.65Å; I207-F235 HydrophobicContact CD1-CZ 3.36Å; I207-F235 HydrophobicContact CG1-CZ 4.34Å; I207-F235 HydrophobicContact CG2-CD1 3.91Å; I207-F235 HydrophobicContact CG2-CE1 3.64Å; I207-F235 HydrophobicContact CG2-CZ 4.24Å; I207-F235 CarbonylContact O-C 3.57Å; I207-F235 WeakPolarHBondContact O-CA 3.3Å; I207-I236 PolarHBondContact O-N 3.07Å
208V97.8Very high94.6Very high0 Ų032.4 Ų32.40%016%0.158CC..EExtended strand (participates in β ladder)trans-103.9127.1177.7-177.90000108.5V168 F169 I170 I236 V238 A245V168-V208 PolarHBondContact O-N 3.25Å; F169-V208 HydrophobicContact CD2-CB 3.71Å; F169-V208 HydrophobicContact CD2-CG1 3.76Å; F169-V208 HydrophobicContact CD2-CG2 4.34Å; F169-V208 HydrophobicContact CE2-CB 4.14Å; F169-V208 HydrophobicContact CE2-CG1 3.63Å; F169-V208 HydrophobicContact CG-CB 4.4Å; F169-V208 HydrophobicContact CZ-CG1 4.49Å; I170-V208 PolarHBondContact N-O 3.28Å; V208-I236 CarbonylContact C-O 3.57Å; V208-I236 VanDerWaalsContact CA-O 3.31Å; V208-I236 WeakPolarHBondContact CA-O 3.09Å; V208-I236 HydrophobicContact CG2-CB 4.38Å; V208-V238 HydrophobicContact CG1-CG1 4.36Å; V208-V238 HydrophobicContact CG1-CG2 4.3Å; V208-A245 HydrophobicContact CG1-CB 3.98Å
209Y97.3Very high94.4Very high14 Ų1432.5 Ų32.56%0.05516%0.158CC..EExtended strand (participates in β ladder)trans-103.3124.7170.9-78.716.4000108.8I170 F172 I207 E212 F235 I236 R237 V238I170-Y209 HydrophobicContact CB-CD1 4.09Å; I170-Y209 HydrophobicContact CB-CE1 4.27Å; I170-Y209 HydrophobicContact CD1-CD1 4.27Å; I170-Y209 HydrophobicContact CD1-CE1 3.61Å; I170-Y209 HydrophobicContact CG1-CD1 4.31Å; I170-Y209 HydrophobicContact CG1-CE1 4.13Å; F172-Y209 AromaticContact CE2-CD1 3.95Å; F172-Y209 HydrophobicContact CE2-CD1 3.95Å; F172-Y209 AromaticContact CE2-CD2 3.7Å; F172-Y209 HydrophobicContact CE2-CD2 3.7Å; F172-Y209 HydrophobicContact CE2-CE1 4.31Å; F172-Y209 HydrophobicContact CE2-CE2 4.07Å; F172-Y209 AromaticContact CE2-CG 3.62Å; F172-Y209 HydrophobicContact CE2-CG 3.62Å; F172-Y209 HydrophobicContact CZ-CD1 4.43Å; F172-Y209 HydrophobicContact CZ-CD2 4Å; F172-Y209 HydrophobicContact CZ-CE1 4.35Å; F172-Y209 AromaticContact CZ-CE2 3.9Å; F172-Y209 HydrophobicContact CZ-CE2 3.9Å; F172-Y209 HydrophobicContact CZ-CG 4.27Å; I207-Y209 HydrophobicContact CG2-CD1 3.86Å; I207-Y209 HydrophobicContact CG2-CE1 3.57Å; Y209-E212 HydrophobicContact CD2-CB 4.35Å; Y209-F235 HydrophobicContact CD1-CD1 4.3Å; Y209-F235 HydrophobicContact CD1-CE1 4.43Å; Y209-F235 AromaticContact CE1-CD1 3.9Å; Y209-F235 HydrophobicContact CE1-CD1 3.9Å; Y209-F235 AromaticContact CE1-CE1 3.61Å; Y209-F235 HydrophobicContact CE1-CE1 3.61Å; Y209-F235 AromaticContact CZ-CE1 3.67Å; Y209-I236 PolarHBondContact N-O 2.8Å; Y209-R237 HydrophobicContact CD2-CG 4.37Å; Y209-R237 HydrophobicContact CG-CG 4.46Å; Y209-V238 WeakPolarHBondContact O-CG2 3.17Å; Y209-V238 PolarHBondContact O-N 3.37Å
210Y97.7Very high94.1Very high39 Ų3934.3 Ų34.315%0.15317%0.166CC..EExtended strand (participates in β ladder)trans-122.4134.1179.4179-116.2000110.4F169 I170 D171 F172 E212 V238 K239 I242 Y260F169-Y210 HydrophobicContact CE1-CD1 4.18Å; F169-Y210 HydrophobicContact CE1-CG 4.19Å; F169-Y210 HydrophobicContact CZ-CD1 4.17Å; F169-Y210 AromaticContact CZ-CG 3.87Å; F169-Y210 HydrophobicContact CZ-CG 3.87Å; I170-Y210 PolarHBondContact O-N 3.5Å; D171-Y210 HydrophobicContact CB-CD1 4.39Å; D171-Y210 WeakPolarHBondContact OD1-CD1 3.2Å; F172-Y210 WeakPolarHBondContact CD2-O 3.3Å; F172-Y210 PolarHBondContact N-O 3.21Å; Y210-E212 PolarHBondContact O-N 3.02Å; Y210-V238 HydrophobicContact CD2-CG2 3.73Å; Y210-V238 HydrophobicContact CG-CG2 4.42Å; Y210-K239 VanDerWaalsContact CD2-O 3.26Å; Y210-K239 WeakPolarHBondContact CD2-O 3.29Å; Y210-I242 HydrophobicContact CD2-CD1 4.32Å; Y210-I242 HydrophobicContact CE2-CB 4.17Å; Y210-Y260 HydrophobicContact CD1-CD1 4.03Å; Y210-Y260 AromaticContact CD1-CE1 3.84Å; Y210-Y260 HydrophobicContact CD1-CE1 3.84Å; Y210-Y260 AromaticContact CE1-CD1 3.88Å; Y210-Y260 HydrophobicContact CE1-CD1 3.88Å; Y210-Y260 AromaticContact CE1-CE1 3.87Å; Y210-Y260 HydrophobicContact CE1-CE1 3.87Å
211N96.4Very high93.7Very high55 Ų5541.1 Ų41.129%0.29420%0.196SC..SBendtrans54.433.4-176.7-73.5-24000114.5F172 T173 K239 G240F172-N211 VanDerWaalsContact CB-O 3.3Å; F172-N211 WeakPolarHBondContact CB-O 3.21Å; T173-N211 PolarHBondContact OG1-ND2 3.49Å; N211-K239 PolarHBondContact N-O 2.9Å; N211-G240 WeakPolarHBondContact OD1-CA 3.31Å
212E93.8Very high93.1Very high21 Ų2142 Ų4210%0.09820%0.2CC..  trans-64.8136.7-177.177.2-94.6-159.600113.5F172 Y209 Y210 M216 R237 K239F172-E212 HydrophobicContact CD2-CB 3.67Å; F172-E212 HydrophobicContact CE2-CB 3.99Å; F172-E212 HydrophobicContact CG-CB 4.09Å; Y209-E212 HydrophobicContact CD2-CB 4.35Å; Y210-E212 PolarHBondContact O-N 3.02Å; E212-M216 HydrophobicContact CB-CB 4.05Å; E212-M216 HydrophobicContact CB-CG 4.02Å; E212-M216 HydrophobicContact CG-CB 4.05Å; E212-R237 WeakPolarHBondContact OE1-CB 3.43Å; E212-R237 IonicContact OE1-CZ 2.76Å; E212-R237 IonicContact OE1-NE 2.76Å; E212-R237 PolarHBondContact OE1-NE 2.83Å; E212-R237 IonicContact OE1-NH2 3.61Å; E212-R237 PolarHBondContact OE1-NH2 2.67Å; E212-K239 WeakPolarHBondContact OE2-CA 3.43Å; E212-K239 PolarHBondContact OE2-N 3.08Å
213P92.1Very high92.6Very high38 Ų3841.8 Ų41.825%0.24720%0.199CC..  trans-72.8160.8176.729-35.3000111.7I215 M216P213-I215 HydrophobicContact CB-CG2 4.14Å; P213-I215 HydrophobicContact CG-CG2 3.83Å; P213-I215 PolarHBondContact O-N 3.45Å; P213-I215 VanDerWaalsContact O-N 3.14Å; P213-M216 HydrophobicContact CG-CE 4.47Å; P213-M216 HydrophobicContact CG-CG 3.99Å; P213-M216 VanDerWaalsContact O-CB 3.26Å; P213-M216 WeakPolarHBondContact O-CB 3.28Å; P213-M216 PolarHBondContact O-N 3.34Å
214Q89.7Confident92.1Very high181 Ų18141.5 Ų41.585%0.84620%0.203SC*.THydrogen-bonded Turntrans-57-33-175.8-69.6-175.1-6.400114.1M216 E217Q214-M216 PolarHBondContact O-N 2.95Å; Q214-M216 VanDerWaalsContact O-N 3.09Å; Q214-E217 WeakPolarHBondContact O-CB 3.28Å; Q214-E217 PolarHBondContact O-N 3.48Å
215I87.4Confident91.7Very high63 Ų6347.3 Ų47.332%0.32323%0.234SC..Hα-helixtrans-56.8-24.8175.2-171.659.3000112.9L180 P213 E217 V218 L219 V318L180-I215 HydrophobicContact CD1-CG2 3.75Å; P213-I215 HydrophobicContact CB-CG2 4.14Å; P213-I215 HydrophobicContact CG-CG2 3.83Å; P213-I215 PolarHBondContact O-N 3.45Å; P213-I215 VanDerWaalsContact O-N 3.14Å; I215-E217 PolarHBondContact O-N 3.33Å; I215-V218 HydrophobicContact CD1-CB 4.4Å; I215-V218 PolarHBondContact O-N 3.45Å; I215-V218 VanDerWaalsContact O-N 3.09Å; I215-L219 HydrophobicContact CG1-CD1 4.17Å; I215-L219 HydrophobicContact CG1-CG 4.36Å; I215-L219 PolarHBondContact O-N 2.82Å; I215-V318 HydrophobicContact CD1-CG1 4.28Å
216M90.6Very high91.2Very high7 Ų746.5 Ų46.53%0.03423%0.23CC..Hα-helixtrans-67-18.1175.9-66.9-67.9161.800112.7F172 L180 E212 P213 Q214 L219 F220F172-M216 HydrophobicContact CD1-CE 3.86Å; F172-M216 HydrophobicContact CE1-CE 3.3Å; F172-M216 HydrophobicContact CE1-CG 4.18Å; F172-M216 HydrophobicContact CE1-SD 3.79Å; F172-M216 HydrophobicContact CZ-CE 4.16Å; F172-M216 HydrophobicContact CZ-CG 4.43Å; F172-M216 HydrophobicContact CZ-SD 4.06Å; L180-M216 HydrophobicContact CD2-CE 4.02Å; E212-M216 HydrophobicContact CB-CB 4.05Å; E212-M216 HydrophobicContact CB-CG 4.02Å; E212-M216 HydrophobicContact CG-CB 4.05Å; P213-M216 HydrophobicContact CG-CE 4.47Å; P213-M216 HydrophobicContact CG-CG 3.99Å; P213-M216 VanDerWaalsContact O-CB 3.26Å; P213-M216 WeakPolarHBondContact O-CB 3.28Å; P213-M216 PolarHBondContact O-N 3.34Å; Q214-M216 PolarHBondContact O-N 2.95Å; Q214-M216 VanDerWaalsContact O-N 3.09Å; M216-L219 HydrophobicContact CE-CD1 3.8Å; M216-L219 HydrophobicContact SD-CB 4.31Å; M216-L219 HydrophobicContact SD-CD1 3.72Å; M216-F220 WeakPolarHBondContact O-CA 3.36Å; M216-F220 WeakPolarHBondContact O-CB 3.3Å; M216-F220 PolarHBondContact O-N 3.39Å
217E90.7Very high90.7Very high79 Ų7947.2 Ų47.237%0.36923%0.233SC..Hα-helixtrans-64.3-43.2169-65.1-60.7159.600111.6Q214 I215 K221 R237Q214-E217 WeakPolarHBondContact O-CB 3.28Å; Q214-E217 PolarHBondContact O-N 3.48Å; I215-E217 PolarHBondContact O-N 3.33Å; E217-K221 WeakPolarHBondContact O-CG 3.4Å; E217-K221 PolarHBondContact O-N 3.19Å; E217-R237 VanDerWaalsContact CD-NH1 3.27Å; E217-R237 VanDerWaalsContact CD-NH2 3.25Å; E217-R237 IonicContact OE1-CZ 3.33Å; E217-R237 IonicContact OE1-NH1 2.73Å; E217-R237 PolarHBondContact OE1-NH1 3.48Å; E217-R237 IonicContact OE1-NH2 2.89Å; E217-R237 PolarHBondContact OE1-NH2 2.88Å; E217-R237 IonicContact OE2-CZ 2.77Å; E217-R237 IonicContact OE2-NH1 3.6Å; E217-R237 PolarHBondContact OE2-NH1 3.17Å; E217-R237 IonicContact OE2-NH2 3.38Å
218V88.5Confident90.3Very high52 Ų5250.4 Ų50.432%0.31525%0.247SC..Hα-helixtrans-71.3-47.5178.8-177.10000110.2I215 F220 K221 L222 V318I215-V218 HydrophobicContact CD1-CB 4.4Å; I215-V218 PolarHBondContact O-N 3.45Å; I215-V218 VanDerWaalsContact O-N 3.09Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 2.97Å; V218-K221 WeakPolarHBondContact O-CB 3.17Å; V218-K221 PolarHBondContact O-N 3.27Å; V218-L222 PolarHBondContact O-N 3.2Å; V218-V318 HydrophobicContact CG1-CB 4.28Å; V218-V318 HydrophobicContact CG1-CG1 3.96Å; V218-V318 HydrophobicContact CG1-CG2 3.65Å
219L88.1Confident89.8Confident6 Ų655 Ų553%0.03128%0.276CS..Hα-helixtrans-63.4-35.5178.1-65.1170.9000112.1P185 K186 I189 I215 M216 L222 L223P185-L219 HydrophobicContact CB-CD1 3.76Å; P185-L219 HydrophobicContact CB-CD2 4.26Å; P185-L219 HydrophobicContact CG-CD1 3.95Å; P185-L219 HydrophobicContact CG-CD2 4.26Å; K186-L219 HydrophobicContact CG-CD2 3.81Å; I189-L219 HydrophobicContact CD1-CB 4.3Å; I189-L219 HydrophobicContact CD1-CD1 4.26Å; I215-L219 HydrophobicContact CG1-CD1 4.17Å; I215-L219 HydrophobicContact CG1-CG 4.36Å; I215-L219 PolarHBondContact O-N 2.82Å; M216-L219 HydrophobicContact CE-CD1 3.8Å; M216-L219 HydrophobicContact SD-CB 4.31Å; M216-L219 HydrophobicContact SD-CD1 3.72Å; L219-L222 PolarHBondContact O-N 3.01Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.3Å; L219-L223 PolarHBondContact O-N 3.01Å
220F89.3Confident89.4Confident39 Ų3960.5 Ų60.517%0.17130%0.301CS..Hα-helixtrans-68.7-33.8176.7-170.9-100.7000112.2M216 V218 L223 S224 F235M216-F220 WeakPolarHBondContact O-CA 3.36Å; M216-F220 WeakPolarHBondContact O-CB 3.3Å; M216-F220 PolarHBondContact O-N 3.39Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 2.97Å; F220-L223 HydrophobicContact CD2-CD2 4.17Å; F220-L223 PolarHBondContact O-N 3.05Å; F220-S224 VanDerWaalsContact O-CB 3.29Å; F220-S224 WeakPolarHBondContact O-CB 3.26Å; F220-S224 PolarHBondContact O-N 2.79Å; F220-F235 HydrophobicContact CD2-CD1 4.37Å; F220-F235 HydrophobicContact CE2-CB 3.85Å; F220-F235 AromaticContact CE2-CD1 3.65Å; F220-F235 HydrophobicContact CE2-CD1 3.65Å; F220-F235 HydrophobicContact CE2-CD2 4.16Å; F220-F235 HydrophobicContact CE2-CE1 4.2Å; F220-F235 AromaticContact CE2-CG 3.61Å; F220-F235 HydrophobicContact CE2-CG 3.61Å; F220-F235 HydrophobicContact CZ-CB 4.02Å; F220-F235 HydrophobicContact CZ-CG 4.19Å
221K89.5Confident88.9Confident145 Ų14559.7 Ų59.763%0.6330%0.3SS*.Hα-helixtrans-62.3-46.3171.6-73.3174.5-177.8-1790111.1E217 V218 S224 L225E217-K221 WeakPolarHBondContact O-CG 3.4Å; E217-K221 PolarHBondContact O-N 3.19Å; V218-K221 WeakPolarHBondContact O-CB 3.17Å; V218-K221 PolarHBondContact O-N 3.27Å; K221-S224 PolarHBondContact O-N 2.81Å; K221-S224 PolarHBondContact O-OG 3.01Å; K221-L225 PolarHBondContact O-N 2.65Å
222L86.3Confident88.6Confident17 Ų1763.7 Ų63.79%0.08931%0.311CS..Hα-helixtrans-61.3-48.8174.8-66-179.1000111.7K186 V218 L219 S224 L225 W226 A313 V318K186-L222 HydrophobicContact CD-CD1 4.09Å; K186-L222 HydrophobicContact CG-CD1 4.13Å; V218-L222 PolarHBondContact O-N 3.2Å; L219-L222 PolarHBondContact O-N 3.01Å; L222-S224 PolarHBondContact O-N 3.36Å; L222-L225 WeakPolarHBondContact O-CB 3.47Å; L222-L225 PolarHBondContact O-N 3.01Å; L222-W226 HydrophobicContact CB-CH2 4.16Å; L222-W226 HydrophobicContact CB-CZ3 4.29Å; L222-A313 HydrophobicContact CD1-CB 3.82Å; L222-A313 HydrophobicContact CD2-CB 3.62Å; L222-A313 HydrophobicContact CG-CB 4.28Å; L222-V318 HydrophobicContact CD1-CG2 3.92Å
223L86.7Confident88.5Confident4 Ų470.3 Ų70.32%0.02134%0.341CS..Hα-helixtrans-55.1-40.9175.8176.658.3000111.3I189 S193 L219 F220 L225 W226 L227 F235I189-L223 HydrophobicContact CG2-CB 4.18Å; I189-L223 HydrophobicContact CG2-CD1 3.66Å; I189-L223 HydrophobicContact CG2-CD2 4.19Å; I189-L223 HydrophobicContact CG2-CG 4.21Å; S193-L223 WeakPolarHBondContact OG-CD1 3.37Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.3Å; L219-L223 PolarHBondContact O-N 3.01Å; F220-L223 HydrophobicContact CD2-CD2 4.17Å; F220-L223 PolarHBondContact O-N 3.05Å; L223-L225 PolarHBondContact O-N 2.99Å; L223-W226 CarbonylContact O-C 3.47Å; L223-W226 PolarHBondContact O-N 2.86Å; L223-L227 HydrophobicContact CD1-CD1 3.92Å; L223-L227 HydrophobicContact CD1-CD2 3.75Å; L223-L227 HydrophobicContact CD1-CG 3.59Å; L223-L227 HydrophobicContact CD2-CD1 4.09Å; L223-L227 HydrophobicContact CG-CD1 3.59Å; L223-L227 HydrophobicContact CG-CD2 4.39Å; L223-L227 HydrophobicContact CG-CG 3.78Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 3.15Å; L223-F235 HydrophobicContact CD2-CE1 3.96Å; L223-F235 HydrophobicContact CD2-CZ 3.75Å
224S85.9Confident88.7Confident32 Ų3271.9 Ų71.922%0.22434%0.343CS..Hα-helixtrans-63.6-22.4179.578.70000114.3F220 K221 L222F220-S224 VanDerWaalsContact O-CB 3.29Å; F220-S224 WeakPolarHBondContact O-CB 3.26Å; F220-S224 PolarHBondContact O-N 2.79Å; K221-S224 PolarHBondContact O-N 2.81Å; K221-S224 PolarHBondContact O-OG 3.01Å; L222-S224 PolarHBondContact O-N 3.36Å
225L86.8Confident88.9Confident140 Ų14064.5 Ų64.573%0.73331%0.308SS*.Hα-helixtrans-74.9-29.2172.3-59.8172.8000112K221 L222 L223K221-L225 PolarHBondContact O-N 2.65Å; L222-L225 WeakPolarHBondContact O-CB 3.47Å; L222-L225 PolarHBondContact O-N 3.01Å; L223-L225 PolarHBondContact O-N 2.99Å
226W86Confident89.3Confident30 Ų3062.2 Ų62.211%0.11430%0.296CS..Hα-helixtrans-93.4-20.1-178.8-61.1-36.7000113.7I189 R190 Q197 L222 L223 Y310 K311 A313I189-W226 HydrophobicContact CG2-CZ3 4.38Å; R190-W226 HydrophobicContact CB-CD2 4.31Å; R190-W226 HydrophobicContact CB-CE3 3.92Å; R190-W226 HydrophobicContact CB-CH2 3.71Å; R190-W226 HydrophobicContact CB-CZ2 4.07Å; R190-W226 HydrophobicContact CB-CZ3 3.62Å; R190-W226 HydrophobicContact CG-CD2 4.11Å; R190-W226 HydrophobicContact CG-CE3 4.24Å; R190-W226 HydrophobicContact CG-CH2 4.17Å; R190-W226 HydrophobicContact CG-CZ2 4Å; R190-W226 HydrophobicContact CG-CZ3 4.28Å; Q197-W226 PolarHBondContact NE2-O 2.91Å; L222-W226 HydrophobicContact CB-CH2 4.16Å; L222-W226 HydrophobicContact CB-CZ3 4.29Å; L223-W226 CarbonylContact O-C 3.47Å; L223-W226 PolarHBondContact O-N 2.86Å; W226-Y310 HydrophobicContact CB-CD1 3.61Å; W226-Y310 HydrophobicContact CB-CE1 3.71Å; W226-Y310 AromaticContact CD1-CD1 3.99Å; W226-Y310 HydrophobicContact CD2-CD1 4.49Å; W226-Y310 AromaticContact CG-CD1 3.76Å; W226-Y310 HydrophobicContact CG-CD1 3.76Å; W226-Y310 HydrophobicContact CG-CE1 4.37Å; W226-K311 PolarHBondContact NE1-O 3.2Å; W226-A313 HydrophobicContact CZ2-CB 4.11Å
227L87.7Confident89.6Confident16 Ų1664.7 Ų64.78%0.08431%0.305CS..SBendtrans-82.8133.7-178.1-71.7-179.2000112L223 V231 R232 F235L223-L227 HydrophobicContact CD1-CD1 3.92Å; L223-L227 HydrophobicContact CD1-CD2 3.75Å; L223-L227 HydrophobicContact CD1-CG 3.59Å; L223-L227 HydrophobicContact CD2-CD1 4.09Å; L223-L227 HydrophobicContact CG-CD1 3.59Å; L223-L227 HydrophobicContact CG-CD2 4.39Å; L223-L227 HydrophobicContact CG-CG 3.78Å; L223-L227 VanDerWaalsContact O-CG 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 3.15Å; L227-V231 HydrophobicContact CD2-CB 4.27Å; L227-V231 HydrophobicContact CD2-CG1 3.74Å; L227-R232 HydrophobicContact CB-CB 4.2Å; L227-R232 HydrophobicContact CD1-CB 4.26Å; L227-F235 HydrophobicContact CD1-CD2 3.95Å; L227-F235 HydrophobicContact CD1-CE2 3.28Å; L227-F235 HydrophobicContact CD1-CZ 3.89Å; L227-F235 HydrophobicContact CD2-CE2 4.48Å
228K87.3Confident89.8Confident81 Ų8161 Ų6135%0.35229%0.288SS..  trans-56.3140.7163-67.5173.5-176.2169.10108.7E198 K230 V231 R232E198-K228 WeakPolarHBondContact OE1-CE 3.47Å; E198-K228 IonicContact OE1-NZ 2.91Å; E198-K228 PolarHBondContact OE1-NZ 3.23Å; E198-K228 IonicContact OE2-NZ 2.99Å; E198-K228 PolarHBondContact OE2-NZ 2.95Å; K228-K230 PolarHBondContact O-N 3.06Å; K228-K230 VanDerWaalsContact O-N 3.09Å; K228-V231 HydrophobicContact CB-CG2 4.29Å; K228-V231 WeakPolarHBondContact O-CA 3.15Å; K228-V231 PolarHBondContact O-N 2.65Å; K228-R232 PolarHBondContact O-N 3.36Å; K228-R232 VanDerWaalsContact O-N 3.11Å
229P88.3Confident90Very high95 Ų9564.4 Ų64.462%0.61730%0.298SS*.Hα-helixtrans-50.2-43.4-175.3-30.334.9000113.7V231 R232 E233P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 2.94Å; P229-R232 WeakPolarHBondContact O-CB 3.29Å; P229-R232 PolarHBondContact O-N 3.46Å; P229-R232 VanDerWaalsContact O-N 3.16Å; P229-E233 PolarHBondContact O-N 3.09Å
230K87.9Confident90.2Very high131 Ų13166.5 Ų66.557%0.5732%0.321SS*.Hα-helixtrans-61.1-30.3177.2-172.4174.6-173.7171.60114.3K228 R234K228-K230 PolarHBondContact O-N 3.06Å; K228-K230 VanDerWaalsContact O-N 3.09Å; K230-R234 VanDerWaalsContact O-CD 3.25Å; K230-R234 WeakPolarHBondContact O-CD 3.37Å; K230-R234 VanDerWaalsContact O-CG 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.41Å; K230-R234 PolarHBondContact O-NE 3.1Å
231V88.2Confident90.5Very high22 Ų2268.1 Ų68.113%0.13333%0.332CS..Hα-helixtrans-80.7-39.4176.7-176.60000110Q197 L227 K228 P229 E233 R234 F235Q197-V231 HydrophobicContact CG-CG2 4.44Å; L227-V231 HydrophobicContact CD2-CB 4.27Å; L227-V231 HydrophobicContact CD2-CG1 3.74Å; K228-V231 HydrophobicContact CB-CG2 4.29Å; K228-V231 WeakPolarHBondContact O-CA 3.15Å; K228-V231 PolarHBondContact O-N 2.65Å; P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 2.94Å; V231-E233 VanDerWaalsContact C-N 3.34Å; V231-E233 PolarHBondContact O-N 2.64Å; V231-R234 WeakPolarHBondContact O-CB 3.26Å; V231-R234 PolarHBondContact O-N 3.14Å; V231-R234 VanDerWaalsContact O-N 3.08Å; V231-F235 HydrophobicContact CG1-CE2 4.28Å; V231-F235 WeakPolarHBondContact O-CD2 3.4Å
232R89.5Confident90.8Very high139 Ų13962.2 Ų62.253%0.52531%0.307SS..Hα-helixtrans-57.5-44.1175176-175.8150.7-175.9-8.7112.4L227 K228 P229 R234 F235L227-R232 HydrophobicContact CB-CB 4.2Å; L227-R232 HydrophobicContact CD1-CB 4.26Å; K228-R232 PolarHBondContact O-N 3.36Å; K228-R232 VanDerWaalsContact O-N 3.11Å; P229-R232 WeakPolarHBondContact O-CB 3.29Å; P229-R232 PolarHBondContact O-N 3.46Å; P229-R232 VanDerWaalsContact O-N 3.16Å; R232-R234 PolarHBondContact O-N 3.46Å; R232-R234 VanDerWaalsContact O-N 3.16Å; R232-F235 PolarHBondContact O-N 2.91Å
233E92.7Very high91.1Very high159 Ų15968 Ų6874%0.74333%0.331SS*.THydrogen-bonded Turntrans-63.9-17.3177.7-71.8169.2-172.200114P229 V231 F235P229-E233 PolarHBondContact O-N 3.09Å; V231-E233 VanDerWaalsContact C-N 3.34Å; V231-E233 PolarHBondContact O-N 2.64Å; E233-F235 VanDerWaalsContact C-N 3.33Å
234R94.9Very high91.6Very high72 Ų7272.3 Ų72.327%0.27235%0.35SS..THydrogen-bonded Turntrans-86.1-4-179.8-72.6169.1177.1175.4-15.3113.5M204 G206 I207 K230 V231 R232M204-R234 PolarHBondContact O-NE 3.1Å; M204-R234 PolarHBondContact O-NH1 2.99Å; M204-R234 PolarHBondContact O-NH2 2.92Å; G206-R234 WeakPolarHBondContact CA-O 3.43Å; I207-R234 PolarHBondContact N-O 2.97Å; K230-R234 VanDerWaalsContact O-CD 3.25Å; K230-R234 WeakPolarHBondContact O-CD 3.37Å; K230-R234 VanDerWaalsContact O-CG 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.41Å; K230-R234 PolarHBondContact O-NE 3.1Å; V231-R234 WeakPolarHBondContact O-CB 3.26Å; V231-R234 PolarHBondContact O-N 3.14Å; V231-R234 VanDerWaalsContact O-N 3.08Å; R232-R234 PolarHBondContact O-N 3.46Å; R232-R234 VanDerWaalsContact O-N 3.16Å
235F95.7Very high92Very high25 Ų2570.8 Ų70.811%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-78.8128.5173.6-78.8-101.2000111.1I207 Y209 F220 L223 L227 V231 R232 E233I207-F235 HydrophobicContact CB-CD1 3.97Å; I207-F235 HydrophobicContact CB-CE1 3.92Å; I207-F235 HydrophobicContact CB-CE2 4.5Å; I207-F235 HydrophobicContact CB-CG 4.32Å; I207-F235 HydrophobicContact CB-CZ 4.2Å; I207-F235 HydrophobicContact CD1-CD2 4.45Å; I207-F235 HydrophobicContact CD1-CE1 3.93Å; I207-F235 HydrophobicContact CD1-CE2 3.65Å; I207-F235 HydrophobicContact CD1-CZ 3.36Å; I207-F235 HydrophobicContact CG1-CZ 4.34Å; I207-F235 HydrophobicContact CG2-CD1 3.91Å; I207-F235 HydrophobicContact CG2-CE1 3.64Å; I207-F235 HydrophobicContact CG2-CZ 4.24Å; I207-F235 CarbonylContact O-C 3.57Å; I207-F235 WeakPolarHBondContact O-CA 3.3Å; Y209-F235 HydrophobicContact CD1-CD1 4.3Å; Y209-F235 HydrophobicContact CD1-CE1 4.43Å; Y209-F235 AromaticContact CE1-CD1 3.9Å; Y209-F235 HydrophobicContact CE1-CD1 3.9Å; Y209-F235 AromaticContact CE1-CE1 3.61Å; Y209-F235 HydrophobicContact CE1-CE1 3.61Å; Y209-F235 AromaticContact CZ-CE1 3.67Å; F220-F235 HydrophobicContact CD2-CD1 4.37Å; F220-F235 HydrophobicContact CE2-CB 3.85Å; F220-F235 AromaticContact CE2-CD1 3.65Å; F220-F235 HydrophobicContact CE2-CD1 3.65Å; F220-F235 HydrophobicContact CE2-CD2 4.16Å; F220-F235 HydrophobicContact CE2-CE1 4.2Å; F220-F235 AromaticContact CE2-CG 3.61Å; F220-F235 HydrophobicContact CE2-CG 3.61Å; F220-F235 HydrophobicContact CZ-CB 4.02Å; F220-F235 HydrophobicContact CZ-CG 4.19Å; L223-F235 HydrophobicContact CD2-CE1 3.96Å; L223-F235 HydrophobicContact CD2-CZ 3.75Å; L227-F235 HydrophobicContact CD1-CD2 3.95Å; L227-F235 HydrophobicContact CD1-CE2 3.28Å; L227-F235 HydrophobicContact CD1-CZ 3.89Å; L227-F235 HydrophobicContact CD2-CE2 4.48Å; V231-F235 HydrophobicContact CG1-CE2 4.28Å; V231-F235 WeakPolarHBondContact O-CD2 3.4Å; R232-F235 PolarHBondContact O-N 2.91Å; E233-F235 VanDerWaalsContact C-N 3.33Å
236I95.9Very high92.4Very high16 Ų1665.9 Ų65.98%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-119.8103.2174-58.5168.3000107I207 V208 Y209 V238 K248 V249I207-I236 PolarHBondContact O-N 3.07Å; V208-I236 CarbonylContact C-O 3.57Å; V208-I236 VanDerWaalsContact CA-O 3.31Å; V208-I236 WeakPolarHBondContact CA-O 3.09Å; V208-I236 HydrophobicContact CG2-CB 4.38Å; Y209-I236 PolarHBondContact N-O 2.8Å; I236-V238 HydrophobicContact CG2-CG1 3.76Å; I236-K248 HydrophobicContact CD1-CB 3.76Å; I236-K248 HydrophobicContact CD1-CD 4.29Å; I236-K248 HydrophobicContact CG1-CD 4.13Å; I236-K248 HydrophobicContact CG2-CD 3.89Å; I236-V249 HydrophobicContact CD1-CG2 3.46Å; I236-V249 VanDerWaalsContact CD1-CG2 3.46Å
237R95.3Very high92.8Very high59 Ų5971.7 Ų71.722%0.22334%0.34CS..EExtended strand (participates in β ladder)trans-94.5107.6-179.9-65.4-172.362.1-156.7-10109.3Y209 E212 E217Y209-R237 HydrophobicContact CD2-CG 4.37Å; Y209-R237 HydrophobicContact CG-CG 4.46Å; E212-R237 WeakPolarHBondContact OE1-CB 3.43Å; E212-R237 IonicContact OE1-CZ 2.76Å; E212-R237 IonicContact OE1-NE 2.76Å; E212-R237 PolarHBondContact OE1-NE 2.83Å; E212-R237 IonicContact OE1-NH2 3.61Å; E212-R237 PolarHBondContact OE1-NH2 2.67Å; E217-R237 VanDerWaalsContact CD-NH1 3.27Å; E217-R237 VanDerWaalsContact CD-NH2 3.25Å; E217-R237 IonicContact OE1-CZ 3.33Å; E217-R237 IonicContact OE1-NH1 2.73Å; E217-R237 PolarHBondContact OE1-NH1 3.48Å; E217-R237 IonicContact OE1-NH2 2.89Å; E217-R237 PolarHBondContact OE1-NH2 2.88Å; E217-R237 IonicContact OE2-CZ 2.77Å; E217-R237 IonicContact OE2-NH1 3.6Å; E217-R237 PolarHBondContact OE2-NH1 3.17Å; E217-R237 IonicContact OE2-NH2 3.38Å
238V95.6Very high93.1Very high0 Ų077.8 Ų77.80%037%0.365CS..EExtended strand (participates in β ladder)trans-100.7-10.2-172.9-60.70000113.9V208 Y209 Y210 I236 G240 N241 K244 A245V208-V238 HydrophobicContact CG1-CG1 4.36Å; V208-V238 HydrophobicContact CG1-CG2 4.3Å; Y209-V238 WeakPolarHBondContact O-CG2 3.17Å; Y209-V238 PolarHBondContact O-N 3.37Å; Y210-V238 HydrophobicContact CD2-CG2 3.73Å; Y210-V238 HydrophobicContact CG-CG2 4.42Å; I236-V238 HydrophobicContact CG2-CG1 3.76Å; V238-G240 PolarHBondContact O-N 3.3Å; V238-N241 WeakPolarHBondContact CB-O 3.37Å; V238-N241 PolarHBondContact O-N 3.42Å; V238-K244 HydrophobicContact CB-CB 4.14Å; V238-K244 HydrophobicContact CG1-CB 3.68Å; V238-A245 HydrophobicContact CG1-CB 3.78Å
239K92.8Very high93.5Very high124 Ų12474.2 Ų74.254%0.53935%0.35SS..EExtended strand (participates in β ladder)trans51.7-129-170.7-53-176.2177.8-172.70108.3Y210 N211 E212Y210-K239 VanDerWaalsContact CD2-O 3.26Å; Y210-K239 WeakPolarHBondContact CD2-O 3.29Å; N211-K239 PolarHBondContact N-O 2.9Å; E212-K239 WeakPolarHBondContact OE2-CA 3.43Å; E212-K239 PolarHBondContact OE2-N 3.08Å
240G92.6Very high93.8Very high50 Ų5073.8 Ų73.852%0.51535%0.35SS..THydrogen-bonded Turntrans-83.9-5.7176.800000117N211 V238N211-G240 WeakPolarHBondContact OD1-CA 3.31Å; V238-G240 PolarHBondContact O-N 3.3Å
241N94.8Very high94.2Very high73 Ų7368.6 Ų68.639%0.3933%0.333SS..  trans-103.889.2-174.8-176-0.6000112.3V238 K243 K244V238-N241 WeakPolarHBondContact CB-O 3.37Å; V238-N241 PolarHBondContact O-N 3.42Å; N241-K243 PolarHBondContact O-N 3.18Å; N241-K243 VanDerWaalsContact O-N 3.1Å; N241-K243 WeakPolarHBondContact OD1-CB 3.41Å; N241-K243 PolarHBondContact OD1-N 3.37Å; N241-K243 VanDerWaalsContact OD1-N 3.13Å; N241-K244 HydrophobicContact CB-CD 4.38Å; N241-K244 HydrophobicContact CB-CG 4.41Å; N241-K244 WeakPolarHBondContact O-CB 3.13Å; N241-K244 PolarHBondContact O-N 3.46Å
242I95.4Very high94.6Very high22 Ų2267.6 Ų67.611%0.11333%0.327CS..THydrogen-bonded Turntrans-56.6-26.4-179.7-168.458.8000114.2F169 Y210 K244 A245 Y246 L256F169-I242 HydrophobicContact CE2-CD1 3.56Å; F169-I242 HydrophobicContact CZ-CD1 3.66Å; Y210-I242 HydrophobicContact CD2-CD1 4.32Å; Y210-I242 HydrophobicContact CE2-CB 4.17Å; I242-K244 PolarHBondContact O-N 3.33Å; I242-K244 VanDerWaalsContact O-N 3.17Å; I242-A245 HydrophobicContact CD1-CB 4.21Å; I242-A245 WeakPolarHBondContact O-CB 3.43Å; I242-A245 PolarHBondContact O-N 2.9Å; I242-Y246 HydrophobicContact CG1-CE1 4.05Å; I242-Y246 HydrophobicContact CG1-CE2 4.24Å; I242-Y246 HydrophobicContact CG2-CE2 4.11Å; I242-Y246 PolarHBondContact O-N 2.96Å; I242-L256 HydrophobicContact CD1-CD1 3.91Å; I242-L256 HydrophobicContact CG1-CD1 4.13Å
243K94Very high94.9Very high138 Ų13864.7 Ų64.760%0.632%0.319SS*.Hα-helixtrans-59.3-31179.9-60.9-176.9177.9-178.70112.5N241 A245 Y246 E247N241-K243 PolarHBondContact O-N 3.18Å; N241-K243 VanDerWaalsContact O-N 3.1Å; N241-K243 WeakPolarHBondContact OD1-CB 3.41Å; N241-K243 PolarHBondContact OD1-N 3.37Å; N241-K243 VanDerWaalsContact OD1-N 3.13Å; K243-A245 PolarHBondContact O-N 3.16Å; K243-Y246 WeakPolarHBondContact O-CB 3.46Å; K243-Y246 PolarHBondContact O-N 3.25Å; K243-E247 PolarHBondContact O-N 3.03Å
244K95.6Very high95Very high94 Ų9460.7 Ų60.741%0.40930%0.303SS..Hα-helixtrans-59.1-27.9173.5-67.2-178.6176.8-178.50113.1V238 N241 I242V238-K244 HydrophobicContact CB-CB 4.14Å; V238-K244 HydrophobicContact CG1-CB 3.68Å; N241-K244 HydrophobicContact CB-CD 4.38Å; N241-K244 HydrophobicContact CB-CG 4.41Å; N241-K244 WeakPolarHBondContact O-CB 3.13Å; N241-K244 PolarHBondContact O-N 3.46Å; I242-K244 PolarHBondContact O-N 3.33Å; I242-K244 VanDerWaalsContact O-N 3.17Å
245A95.7Very high95.1Very high0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-78.8-36.5174.100000111.2V208 V238 I242 K243 K248 V249 L252V208-A245 HydrophobicContact CG1-CB 3.98Å; V238-A245 HydrophobicContact CG1-CB 3.78Å; I242-A245 HydrophobicContact CD1-CB 4.21Å; I242-A245 WeakPolarHBondContact O-CB 3.43Å; I242-A245 PolarHBondContact O-N 2.9Å; K243-A245 PolarHBondContact O-N 3.16Å; A245-K248 PolarHBondContact O-N 3.31Å; A245-V249 VanDerWaalsContact O-CB 3.31Å; A245-V249 WeakPolarHBondContact O-CB 2.9Å; A245-V249 WeakPolarHBondContact O-CG2 3.27Å; A245-V249 PolarHBondContact O-N 3.34Å; A245-L252 HydrophobicContact CB-CD2 3.6Å
246Y94.1Very high95.1Very high37 Ų3756.7 Ų56.715%0.14529%0.289CS..Hα-helixtrans-63.9-40.1177.6-58.4-26.6000112.4I242 K243 K248 V249 L252 Q253 L256 Y260I242-Y246 HydrophobicContact CG1-CE1 4.05Å; I242-Y246 HydrophobicContact CG1-CE2 4.24Å; I242-Y246 HydrophobicContact CG2-CE2 4.11Å; I242-Y246 PolarHBondContact O-N 2.96Å; K243-Y246 WeakPolarHBondContact O-CB 3.46Å; K243-Y246 PolarHBondContact O-N 3.25Å; Y246-K248 VanDerWaalsContact C-N 3.26Å; Y246-K248 PolarHBondContact O-N 3.06Å; Y246-V249 PolarHBondContact O-N 3.36Å; Y246-L252 HydrophobicContact CD1-CB 4.13Å; Y246-L252 HydrophobicContact CD1-CD2 4.17Å; Y246-L252 HydrophobicContact CD1-CG 4.16Å; Y246-L252 HydrophobicContact CE1-CB 4.5Å; Y246-L252 HydrophobicContact CE1-CD2 4.37Å; Y246-L252 HydrophobicContact CE1-CG 4.16Å; Y246-Q253 HydrophobicContact CD1-CB 3.77Å; Y246-Q253 HydrophobicContact CD2-CB 4.15Å; Y246-Q253 HydrophobicContact CD2-CG 4.19Å; Y246-Q253 VanDerWaalsContact CE1-CA 3.46Å; Y246-Q253 HydrophobicContact CE1-CB 3.7Å; Y246-Q253 HydrophobicContact CE1-CG 4.16Å; Y246-Q253 HydrophobicContact CE2-CB 4.11Å; Y246-Q253 HydrophobicContact CE2-CG 3.82Å; Y246-Q253 HydrophobicContact CG-CB 4Å; Y246-L256 HydrophobicContact CE1-CD1 3.68Å; Y246-Y260 PolarHBondContact OH-O 3.32Å
247E94Very high95.2Very high152 Ų15255.9 Ų55.971%0.7129%0.285SS*.Hα-helixtrans-62.1-33.4175.6-69.7164.7-170.300112.7K243K243-E247 PolarHBondContact O-N 3.03Å
248K94.6Very high95.2Very high144 Ų14461.3 Ų61.363%0.62631%0.305SS*.Hα-helixtrans-96.8-14.6-176.2-69.4-174.4176.6-171.60114.1I236 A245 Y246I236-K248 HydrophobicContact CD1-CB 3.76Å; I236-K248 HydrophobicContact CD1-CD 4.29Å; I236-K248 HydrophobicContact CG1-CD 4.13Å; I236-K248 HydrophobicContact CG2-CD 3.89Å; A245-K248 PolarHBondContact O-N 3.31Å; Y246-K248 VanDerWaalsContact C-N 3.26Å; Y246-K248 PolarHBondContact O-N 3.06Å
249V96.1Very high95.2Very high6 Ų666.2 Ų66.24%0.03633%0.328CS..SBendtrans-134.393.2-173.2-169.50000109.7L120 R167 I236 A245 Y246 G251 L252L120-V249 HydrophobicContact CD2-CG1 3.72Å; R167-V249 VanDerWaalsContact CZ-CG1 3.42Å; R167-V249 VanDerWaalsContact CZ-CG2 3.45Å; I236-V249 HydrophobicContact CD1-CG2 3.46Å; I236-V249 VanDerWaalsContact CD1-CG2 3.46Å; A245-V249 VanDerWaalsContact O-CB 3.31Å; A245-V249 WeakPolarHBondContact O-CB 2.9Å; A245-V249 WeakPolarHBondContact O-CG2 3.27Å; A245-V249 PolarHBondContact O-N 3.34Å; Y246-V249 PolarHBondContact O-N 3.36Å; V249-G251 PolarHBondContact O-N 3.16Å; V249-L252 HydrophobicContact CB-CB 3.84Å; V249-L252 HydrophobicContact CB-CD2 3.99Å; V249-L252 HydrophobicContact CB-CG 4.49Å; V249-L252 HydrophobicContact CG1-CB 3.79Å; V249-L252 HydrophobicContact CG1-CD2 4.35Å; V249-L252 HydrophobicContact CG1-CG 4.46Å; V249-L252 HydrophobicContact CG2-CD2 4.31Å; V249-L252 VanDerWaalsContact O-CB 3.23Å; V249-L252 WeakPolarHBondContact O-CB 2.96Å; V249-L252 PolarHBondContact O-N 3.04Å; V249-L252 VanDerWaalsContact O-N 3.08Å
250S95.3Very high95.3Very high87 Ų8761.1 Ų61.161%0.60831%0.306SS*.THydrogen-bonded Turntrans-53.8128.9178.9-53.20000111.8H121 L252H121-S250 PolarHBondContact CE1-O 3.11Å; H121-S250 PolarHBondContact ND1-O 2.72Å; S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 2.93Å
251G94.6Very high95.4Very high21 Ų2160.9 Ų60.922%0.21630%0.304CS..THydrogen-bonded Turntrans73.94.5179.100000115.7V249 Q253 N254V249-G251 PolarHBondContact O-N 3.16Å; G251-Q253 VanDerWaalsContact C-N 3.31Å; G251-Q253 PolarHBondContact O-N 3.18Å; G251-N254 PolarHBondContact O-N 3.38Å
252L96.8Very high95.4Very high1 Ų158 Ų581%0.00529%0.291CS..Hα-helixtrans-60.9-40.3176.1-179.863.8000112.1L126 A245 Y246 V249 S250 N254 V255 L256L126-L252 HydrophobicContact CD1-CD1 4.26Å; L126-L252 HydrophobicContact CD2-CD1 3.89Å; A245-L252 HydrophobicContact CB-CD2 3.6Å; Y246-L252 HydrophobicContact CD1-CB 4.13Å; Y246-L252 HydrophobicContact CD1-CD2 4.17Å; Y246-L252 HydrophobicContact CD1-CG 4.16Å; Y246-L252 HydrophobicContact CE1-CB 4.5Å; Y246-L252 HydrophobicContact CE1-CD2 4.37Å; Y246-L252 HydrophobicContact CE1-CG 4.16Å; V249-L252 HydrophobicContact CB-CB 3.84Å; V249-L252 HydrophobicContact CB-CD2 3.99Å; V249-L252 HydrophobicContact CB-CG 4.49Å; V249-L252 HydrophobicContact CG1-CB 3.79Å; V249-L252 HydrophobicContact CG1-CD2 4.35Å; V249-L252 HydrophobicContact CG1-CG 4.46Å; V249-L252 HydrophobicContact CG2-CD2 4.31Å; V249-L252 VanDerWaalsContact O-CB 3.23Å; V249-L252 WeakPolarHBondContact O-CB 2.96Å; V249-L252 PolarHBondContact O-N 3.04Å; V249-L252 VanDerWaalsContact O-N 3.08Å; S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 2.93Å; L252-N254 PolarHBondContact O-N 3.13Å; L252-V255 PolarHBondContact O-N 3.35Å; L252-V255 VanDerWaalsContact O-N 3.1Å; L252-L256 HydrophobicContact CD1-CD1 4.39Å; L252-L256 HydrophobicContact CD1-CD2 4.39Å; L252-L256 HydrophobicContact CD1-CG 4.01Å; L252-L256 HydrophobicContact CD2-CD1 4.4Å; L252-L256 HydrophobicContact CG-CD1 4.06Å; L252-L256 HydrophobicContact CG-CG 4.09Å; L252-L256 PolarHBondContact O-N 2.93Å
253Q96.3Very high95.4Very high78 Ų7862.5 Ų62.536%0.36431%0.311SS..Hα-helixtrans-58.6-34.2178.2-169.9176.61600112.3Y246 G251 V255 G261 G262 Q263Y246-Q253 HydrophobicContact CD1-CB 3.77Å; Y246-Q253 HydrophobicContact CD2-CB 4.15Å; Y246-Q253 HydrophobicContact CD2-CG 4.19Å; Y246-Q253 VanDerWaalsContact CE1-CA 3.46Å; Y246-Q253 HydrophobicContact CE1-CB 3.7Å; Y246-Q253 HydrophobicContact CE1-CG 4.16Å; Y246-Q253 HydrophobicContact CE2-CB 4.11Å; Y246-Q253 HydrophobicContact CE2-CG 3.82Å; Y246-Q253 HydrophobicContact CG-CB 4Å; G251-Q253 VanDerWaalsContact C-N 3.31Å; G251-Q253 PolarHBondContact O-N 3.18Å; Q253-V255 VanDerWaalsContact C-N 3.25Å; Q253-V255 PolarHBondContact O-N 3.04Å; Q253-G261 PolarHBondContact NE2-O 3.45Å; Q253-G262 CarbonylContact O-C 3.6Å; Q253-G262 WeakPolarHBondContact O-CA 3.34Å; Q253-Q263 PolarHBondContact O-N 3.45Å
254N95.3Very high95.5Very high76 Ų7656.3 Ų56.341%0.40629%0.285SS..Hα-helixtrans-71.5-23.1-178.4-59.6-7.9000112.5G251 L252 Q263G251-N254 PolarHBondContact O-N 3.38Å; L252-N254 PolarHBondContact O-N 3.13Å; N254-Q263 PolarHBondContact OD1-OE1 3.15Å
255V96.1Very high95.5Very high12 Ų1254.4 Ų54.47%0.07328%0.275CS..Hα-helixtrans-104.4-24.6-175.2-177.20000112.4I117 F119 L120 L126 L252 Q253 N264I117-V255 HydrophobicContact CG2-CG1 3.96Å; I117-V255 WeakPolarHBondContact CG2-O 3.14Å; F119-V255 VanDerWaalsContact O-CG2 3.27Å; F119-V255 WeakPolarHBondContact O-CG2 3.48Å; L120-V255 HydrophobicContact CD1-CB 4.43Å; L120-V255 HydrophobicContact CD1-CG1 4.39Å; L120-V255 HydrophobicContact CD1-CG2 4.32Å; L120-V255 HydrophobicContact CG-CG2 4.14Å; L126-V255 HydrophobicContact CB-CG1 4.35Å; L126-V255 HydrophobicContact CD2-CG1 3.99Å; L252-V255 PolarHBondContact O-N 3.35Å; L252-V255 VanDerWaalsContact O-N 3.1Å; Q253-V255 VanDerWaalsContact C-N 3.25Å; Q253-V255 PolarHBondContact O-N 3.04Å; V255-N264 VanDerWaalsContact O-CB 3.26Å; V255-N264 WeakPolarHBondContact O-CB 3.35Å; V255-N264 PolarHBondContact O-ND2 2.95Å
256L96.8Very high95.5Very high0 Ų055.3 Ų55.30%028%0.282CS..SBendtrans-65.2145.5177.1-81.1-176.2000112L126 M128 F169 I242 Y246 L252 G262 Q263 N264L126-L256 HydrophobicContact CD2-CD2 3.87Å; M128-L256 HydrophobicContact CE-CD2 3.53Å; F169-L256 HydrophobicContact CD2-CD2 4.12Å; F169-L256 HydrophobicContact CE2-CD1 4.03Å; F169-L256 HydrophobicContact CE2-CD2 4.22Å; F169-L256 HydrophobicContact CG-CD2 4.48Å; I242-L256 HydrophobicContact CD1-CD1 3.91Å; I242-L256 HydrophobicContact CG1-CD1 4.13Å; Y246-L256 HydrophobicContact CE1-CD1 3.68Å; L252-L256 HydrophobicContact CD1-CD1 4.39Å; L252-L256 HydrophobicContact CD1-CD2 4.39Å; L252-L256 HydrophobicContact CD1-CG 4.01Å; L252-L256 HydrophobicContact CD2-CD1 4.4Å; L252-L256 HydrophobicContact CG-CD1 4.06Å; L252-L256 HydrophobicContact CG-CG 4.09Å; L252-L256 PolarHBondContact O-N 2.93Å; L256-G262 CarbonylContact O-C 3.58Å; L256-G262 VanDerWaalsContact O-CA 3.31Å; L256-G262 WeakPolarHBondContact O-CA 3.32Å; L256-Q263 PolarHBondContact O-N 2.94Å; L256-N264 WeakPolarHBondContact O-CB 3.39Å; L256-N264 PolarHBondContact O-N 2.76Å; L256-N264 VanDerWaalsContact O-N 3.14Å
257P96.8Very high95.6Very high0 Ų054.1 Ų54.10%028%0.278CS..  trans-59.9158.4172.2-18.429.1000112.8I117 M128 E259 Y260 G262 R265 I267 I270I117-P257 HydrophobicContact CD1-CG 4.23Å; M128-P257 HydrophobicContact CE-CG 4.21Å; P257-E259 WeakPolarHBondContact CB-OE2 3.44Å; P257-E259 PolarHBondContact O-N 2.94Å; P257-Y260 HydrophobicContact CB-CD2 4.11Å; P257-Y260 HydrophobicContact CG-CD2 4.07Å; P257-Y260 HydrophobicContact CG-CE2 4.37Å; P257-Y260 PolarHBondContact O-N 2.77Å; P257-G262 PolarHBondContact O-N 3.11Å; P257-R265 WeakPolarHBondContact CA-O 3.32Å; P257-I267 HydrophobicContact CB-CB 4.07Å; P257-I267 HydrophobicContact CG-CB 4.28Å; P257-I267 HydrophobicContact CG-CD1 3.89Å; P257-I270 HydrophobicContact CB-CD1 4.39Å; P257-I270 HydrophobicContact CG-CD1 4.08Å
258R96.6Very high95.7Very high172 Ų17254.6 Ų54.665%0.64928%0.277SS*.G310 helixtrans-57.3-34.3-178.3-62.3-174.4179.9174.7-4113.1Y260 G261 N264 R265R258-Y260 PolarHBondContact O-N 3.28Å; R258-Y260 VanDerWaalsContact O-N 3.15Å; R258-G261 PolarHBondContact O-N 3.34Å; R258-N264 WeakPolarHBondContact CG-O 3.22Å; R258-N264 PolarHBondContact NE-O 2.77Å; R258-R265 PolarHBondContact N-O 3.31Å
259E95.2Very high95.8Very high104 Ų10451.6 Ų51.649%0.48627%0.268SS..G310 helixtrans-61.8-20.9178.6-6482174.900112.9P257 S266 I267P257-E259 WeakPolarHBondContact CB-OE2 3.44Å; P257-E259 PolarHBondContact O-N 2.94Å; E259-S266 WeakPolarHBondContact OE1-CB 3.48Å; E259-I267 HydrophobicContact CG-CG2 4.17Å; E259-I267 PolarHBondContact OE1-N 3.39Å; E259-I267 PolarHBondContact OE2-N 3.19Å
260Y95.1Very high95.9Very high16 Ų1651.3 Ų51.36%0.06327%0.266CS..G310 helixtrans-101.413175.5-61-89000112.3M128 R130 F169 D171 Y210 Y246 P257 R258 G262M128-Y260 HydrophobicContact CE-CD2 3.92Å; M128-Y260 HydrophobicContact CE-CE2 3.7Å; M128-Y260 HydrophobicContact CE-CG 4.45Å; M128-Y260 HydrophobicContact SD-CD2 4.46Å; M128-Y260 HydrophobicContact SD-CE2 3.65Å; R130-Y260 PolarHBondContact NE-OH 3.04Å; F169-Y260 HydrophobicContact CE1-CD1 4.05Å; F169-Y260 AromaticContact CE1-CE1 3.9Å; F169-Y260 HydrophobicContact CE1-CE1 3.9Å; F169-Y260 HydrophobicContact CZ-CD1 4.08Å; F169-Y260 HydrophobicContact CZ-CE1 4.38Å; D171-Y260 HydrophobicContact CB-CE1 4.22Å; D171-Y260 WeakPolarHBondContact OD2-CE1 3.38Å; D171-Y260 PolarHBondContact OD2-OH 3.1Å; Y210-Y260 HydrophobicContact CD1-CD1 4.03Å; Y210-Y260 AromaticContact CD1-CE1 3.84Å; Y210-Y260 HydrophobicContact CD1-CE1 3.84Å; Y210-Y260 AromaticContact CE1-CD1 3.88Å; Y210-Y260 HydrophobicContact CE1-CD1 3.88Å; Y210-Y260 AromaticContact CE1-CE1 3.87Å; Y210-Y260 HydrophobicContact CE1-CE1 3.87Å; Y246-Y260 PolarHBondContact OH-O 3.32Å; P257-Y260 HydrophobicContact CB-CD2 4.11Å; P257-Y260 HydrophobicContact CG-CD2 4.07Å; P257-Y260 HydrophobicContact CG-CE2 4.37Å; P257-Y260 PolarHBondContact O-N 2.77Å; R258-Y260 PolarHBondContact O-N 3.28Å; R258-Y260 VanDerWaalsContact O-N 3.15Å; Y260-G262 VanDerWaalsContact C-N 3.29Å
261G93.6Very high96Very high46 Ų4648 Ų4847%0.47424%0.242SC..THydrogen-bonded Turntrans72.720.9-175.500000113.9Q253 R258Q253-G261 PolarHBondContact NE2-O 3.45Å; R258-G261 PolarHBondContact O-N 3.34Å
262G95.5Very high96.1Very high12 Ų1255 Ų5512%0.12427%0.266CS..  trans-90.1177.1175.600000113.7Q253 L256 P257 Y260Q253-G262 CarbonylContact O-C 3.6Å; Q253-G262 WeakPolarHBondContact O-CA 3.34Å; L256-G262 CarbonylContact O-C 3.58Å; L256-G262 VanDerWaalsContact O-CA 3.31Å; L256-G262 WeakPolarHBondContact O-CA 3.32Å; P257-G262 PolarHBondContact O-N 3.11Å; Y260-G262 VanDerWaalsContact C-N 3.29Å
263Q95.6Very high96Very high116 Ų11656.4 Ų56.454%0.54227%0.273SS..SBendtrans-106.27-175.9-54.5176.1-1.300113.5Q253 N254 L256Q253-Q263 PolarHBondContact O-N 3.45Å; N254-Q263 PolarHBondContact OD1-OE1 3.15Å; L256-Q263 PolarHBondContact O-N 2.94Å
264N95.4Very high96.1Very high9 Ų952.7 Ų52.75%0.04826%0.255CS..SBendtrans-78.4-174.4175.3-157.6-11.6000110.9V255 L256 R258V255-N264 VanDerWaalsContact O-CB 3.26Å; V255-N264 WeakPolarHBondContact O-CB 3.35Å; V255-N264 PolarHBondContact O-ND2 2.95Å; L256-N264 WeakPolarHBondContact O-CB 3.39Å; L256-N264 PolarHBondContact O-N 2.76Å; L256-N264 VanDerWaalsContact O-N 3.14Å; R258-N264 WeakPolarHBondContact CG-O 3.22Å; R258-N264 PolarHBondContact NE-O 2.77Å
265R95.4Very high96.2Very high54 Ų5450.3 Ų50.320%0.20424%0.243CC..  trans-64.2169.3169.1-62-177.7-68.9163.3-3.5111.2P257 R258 D269 I270 E273P257-R265 WeakPolarHBondContact CA-O 3.32Å; R258-R265 PolarHBondContact N-O 3.31Å; R265-D269 HydrophobicContact CB-CB 4.34Å; R265-I270 HydrophobicContact CB-CD1 4.41Å; R265-I270 HydrophobicContact CB-CG1 4.05Å; R265-E273 IonicContact CZ-OE2 3.19Å; R265-E273 IonicContact NH1-OE2 2.73Å; R265-E273 PolarHBondContact NH1-OE2 3.21Å; R265-E273 IonicContact NH2-OE1 2.97Å; R265-E273 PolarHBondContact NH2-OE1 2.67Å; R265-E273 IonicContact NH2-OE2 3.27Å; R265-E273 PolarHBondContact NH2-OE2 3.06Å
266S96.6Very high96.3Very high19 Ų1952.5 Ų52.513%0.13326%0.262CS..  trans-62.6152172.775.10000110.5E259 K268 D269 I270E259-S266 WeakPolarHBondContact OE1-CB 3.48Å; S266-K268 PolarHBondContact O-N 2.92Å; S266-D269 PolarHBondContact O-N 3.34Å; S266-D269 PolarHBondContact OG-N 2.64Å; S266-D269 VanDerWaalsContact OG-N 3.09Å; S266-D269 PolarHBondContact OG-OD2 3.18Å; S266-I270 WeakPolarHBondContact O-CG1 3.37Å; S266-I270 PolarHBondContact O-N 2.86Å; S266-I270 VanDerWaalsContact O-N 3.14Å
267I96.6Very high96.2Very high12 Ų1254.1 Ų54.16%0.06227%0.271CS..Hα-helixtrans-58.3-34.5175.4-170.961.4000111C115 I117 M128 P257 E259 I270 L271C115-I267 HydrophobicContact CB-CD1 4.25Å; I117-I267 HydrophobicContact CD1-CD1 3.83Å; M128-I267 HydrophobicContact SD-CD1 4.18Å; P257-I267 HydrophobicContact CB-CB 4.07Å; P257-I267 HydrophobicContact CG-CB 4.28Å; P257-I267 HydrophobicContact CG-CD1 3.89Å; E259-I267 HydrophobicContact CG-CG2 4.17Å; E259-I267 PolarHBondContact OE1-N 3.39Å; E259-I267 PolarHBondContact OE2-N 3.19Å; I267-I270 PolarHBondContact O-N 3.14Å; I267-L271 HydrophobicContact CD1-CD1 4.5Å; I267-L271 HydrophobicContact CD1-CG 4.39Å; I267-L271 HydrophobicContact CG1-CD1 3.97Å; I267-L271 HydrophobicContact CG1-CG 4.31Å; I267-L271 VanDerWaalsContact O-CB 3.31Å; I267-L271 WeakPolarHBondContact O-CB 3.38Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 3.23Å
268K96.4Very high96.3Very high162 Ų16254.1 Ų54.170%0.70427%0.271SS*.Hα-helixtrans-61.8-45.2177.9-176.9-177.1177-176.40112S266 L271 K272S266-K268 PolarHBondContact O-N 2.92Å; K268-L271 PolarHBondContact O-N 3.17Å; K268-K272 PolarHBondContact O-N 3.1Å
269D96.5Very high96.3Very high80 Ų8049 Ų4943%0.42825%0.253SS..Hα-helixtrans-70.4-39.8-179-61.2-38.4000111.6R265 S266 K272 E273R265-D269 HydrophobicContact CB-CB 4.34Å; S266-D269 PolarHBondContact O-N 3.34Å; S266-D269 PolarHBondContact OG-N 2.64Å; S266-D269 VanDerWaalsContact OG-N 3.09Å; S266-D269 PolarHBondContact OG-OD2 3.18Å; D269-K272 PolarHBondContact O-N 2.92Å; D269-E273 PolarHBondContact O-N 3.14Å
270I97.2Very high96.4Very high1 Ų150.4 Ų50.41%0.00526%0.26CS..Hα-helixtrans-61.5-47.7174.8-64.4167.4000109.9I117 P257 R265 S266 I267 K272 E273 Q274I117-I270 HydrophobicContact CD1-CG2 4.39Å; P257-I270 HydrophobicContact CB-CD1 4.39Å; P257-I270 HydrophobicContact CG-CD1 4.08Å; R265-I270 HydrophobicContact CB-CD1 4.41Å; R265-I270 HydrophobicContact CB-CG1 4.05Å; S266-I270 WeakPolarHBondContact O-CG1 3.37Å; S266-I270 PolarHBondContact O-N 2.86Å; S266-I270 VanDerWaalsContact O-N 3.14Å; I267-I270 PolarHBondContact O-N 3.14Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.2Å; I270-E273 PolarHBondContact O-N 2.97Å; I270-Q274 HydrophobicContact CG2-CG 4.06Å; I270-Q274 WeakPolarHBondContact O-CB 3.42Å; I270-Q274 VanDerWaalsContact O-CG 3.31Å; I270-Q274 WeakPolarHBondContact O-CG 3.41Å; I270-Q274 PolarHBondContact O-N 3.25Å
271L96.9Very high96.4Very high18 Ų1851.1 Ų51.19%0.09426%0.263CS..Hα-helixtrans-62.7-38.3179.1-79.6173.7000112.5C115 I267 K268 E273 Q274 N275C115-L271 HydrophobicContact CB-CD2 4.18Å; I267-L271 HydrophobicContact CD1-CD1 4.5Å; I267-L271 HydrophobicContact CD1-CG 4.39Å; I267-L271 HydrophobicContact CG1-CD1 3.97Å; I267-L271 HydrophobicContact CG1-CG 4.31Å; I267-L271 VanDerWaalsContact O-CB 3.31Å; I267-L271 WeakPolarHBondContact O-CB 3.38Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 3.23Å; K268-L271 PolarHBondContact O-N 3.17Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.66Å; L271-Q274 PolarHBondContact O-N 3.34Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 2.67Å; L271-N275 PolarHBondContact O-ND2 2.96Å; L271-N275 PolarHBondContact O-OD1 3.47Å
272K96.8Very high96.5Very high168 Ų16849.9 Ų49.973%0.7324%0.244SC*.Hα-helixtrans-56.3-47.3176.6-176.2-177.2176.6-175.30111.7K268 D269 I270 A276K268-K272 PolarHBondContact O-N 3.1Å; D269-K272 PolarHBondContact O-N 2.92Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.2Å; K272-A276 PolarHBondContact O-N 2.8Å
273E96Very high96.5Very high29 Ų2953.7 Ų53.714%0.13626%0.261CS..Hα-helixtrans-67.7-54177.5178.3-175.812500111.4T5 F6 R265 D269 I270 L271 N275 A276 D277T5-E273 WeakPolarHBondContact CB-OE1 3.24Å; T5-E273 WeakPolarHBondContact CB-OE2 3.45Å; T5-E273 WeakPolarHBondContact CG2-OE2 3.46Å; F6-E273 PolarHBondContact N-OE1 3.03Å; F6-E273 VanDerWaalsContact N-OE1 3.09Å; R265-E273 IonicContact CZ-OE2 3.19Å; R265-E273 IonicContact NH1-OE2 2.73Å; R265-E273 PolarHBondContact NH1-OE2 3.21Å; R265-E273 IonicContact NH2-OE1 2.97Å; R265-E273 PolarHBondContact NH2-OE1 2.67Å; R265-E273 IonicContact NH2-OE2 3.27Å; R265-E273 PolarHBondContact NH2-OE2 3.06Å; D269-E273 PolarHBondContact O-N 3.14Å; I270-E273 PolarHBondContact O-N 2.97Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 2.66Å; E273-N275 VanDerWaalsContact C-N 3.31Å; E273-N275 PolarHBondContact O-N 3.26Å; E273-A276 WeakPolarHBondContact O-CB 3.24Å; E273-A276 PolarHBondContact O-N 2.92Å; E273-A276 VanDerWaalsContact O-N 3.14Å; E273-D277 PolarHBondContact O-N 2.69Å; E273-D277 VanDerWaalsContact O-N 3.11Å
274Q97.6Very high96.3Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-69.7-27.6-172.9-65.3-61-51.800113.5F6 P116 I270 L271 F278F6-Q274 HydrophobicContact CE1-CG 4.37Å; F6-Q274 HydrophobicContact CZ-CG 4.1Å; F6-Q274 PolarHBondContact O-NE2 3.27Å; P116-Q274 HydrophobicContact CG-CB 4.25Å; P116-Q274 HydrophobicContact CG-CG 4.44Å; P116-Q274 WeakPolarHBondContact O-CG 3.28Å; I270-Q274 HydrophobicContact CG2-CG 4.06Å; I270-Q274 WeakPolarHBondContact O-CB 3.42Å; I270-Q274 VanDerWaalsContact O-CG 3.31Å; I270-Q274 WeakPolarHBondContact O-CG 3.41Å; I270-Q274 PolarHBondContact O-N 3.25Å; L271-Q274 PolarHBondContact O-N 3.34Å; Q274-F278 VanDerWaalsContact O-CB 3.31Å; Q274-F278 WeakPolarHBondContact O-CB 3.09Å; Q274-F278 PolarHBondContact O-N 3.17Å
275N97.8Very high95.8Very high27 Ų2757.1 Ų57.114%0.14428%0.277CS..Hα-helixtrans-71.6-37.1173.9-70.8-7.2000111.5L109 L271 E273 K279L109-N275 HydrophobicContact CB-CB 4.17Å; L109-N275 HydrophobicContact CD1-CB 4.41Å; L109-N275 HydrophobicContact CD2-CB 3.89Å; L109-N275 HydrophobicContact CG-CB 4.36Å; L109-N275 PolarHBondContact O-ND2 3.21Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 2.67Å; L271-N275 PolarHBondContact O-ND2 2.96Å; L271-N275 PolarHBondContact O-OD1 3.47Å; E273-N275 VanDerWaalsContact C-N 3.31Å; E273-N275 PolarHBondContact O-N 3.26Å; N275-K279 VanDerWaalsContact O-CB 3.25Å; N275-K279 WeakPolarHBondContact O-CB 3.32Å; N275-K279 PolarHBondContact O-N 2.98Å
276A97.1Very high95.2Very high58 Ų5860.4 Ų60.448%0.47930%0.295SS..Hα-helixtrans-63.4-50.5174.700000110.3K272 E273 F278 K279 E280K272-A276 PolarHBondContact O-N 2.8Å; E273-A276 WeakPolarHBondContact O-CB 3.24Å; E273-A276 PolarHBondContact O-N 2.92Å; E273-A276 VanDerWaalsContact O-N 3.14Å; A276-F278 VanDerWaalsContact C-N 3.34Å; A276-F278 PolarHBondContact O-N 3.37Å; A276-K279 PolarHBondContact O-N 3.28Å; A276-E280 PolarHBondContact O-N 3.41Å
277D96.4Very high94.4Very high33 Ų3360.5 Ų60.518%0.17629%0.294CS..Hα-helixtrans-57.3-44.5176.5-73.29.3000112.3H7 E273 Y281H7-D277 IonicContact CE1-OD1 3.62Å; H7-D277 IonicContact CE1-OD2 3.1Å; H7-D277 IonicContact CG-OD2 3.3Å; H7-D277 IonicContact ND1-OD1 3.48Å; H7-D277 PolarHBondContact ND1-OD1 3.48Å; H7-D277 IonicContact ND1-OD2 2.83Å; H7-D277 PolarHBondContact ND1-OD2 3.45Å; E273-D277 PolarHBondContact O-N 2.69Å; E273-D277 VanDerWaalsContact O-N 3.11Å; D277-Y281 WeakPolarHBondContact O-CB 3.49Å; D277-Y281 PolarHBondContact O-N 3.04Å
278F97.4Very high94.2Very high0 Ų060.7 Ų60.70%030%0.295CS..Hα-helixtrans-69.2-38.6179.6-178.1-106.8000112.2L105 Y108 L109 L147 A150 Q151 Q274 A276 Y281 F282L105-F278 HydrophobicContact CD1-CD1 4.22Å; L105-F278 HydrophobicContact CD1-CE1 3.78Å; Y108-F278 HydrophobicContact CD1-CE1 4.41Å; Y108-F278 HydrophobicContact CE1-CD1 4.23Å; Y108-F278 AromaticContact CE1-CE1 3.72Å; Y108-F278 HydrophobicContact CE1-CE1 3.72Å; L109-F278 HydrophobicContact CD2-CB 4.41Å; L109-F278 HydrophobicContact CD2-CD1 3.6Å; L109-F278 HydrophobicContact CD2-CE1 4.4Å; L109-F278 HydrophobicContact CD2-CG 4.43Å; L147-F278 HydrophobicContact CD2-CE1 4.19Å; L147-F278 HydrophobicContact CD2-CZ 4.39Å; A150-F278 HydrophobicContact CB-CE2 4.13Å; A150-F278 HydrophobicContact CB-CZ 3.9Å; Q151-F278 HydrophobicContact CB-CE2 4.35Å; Q151-F278 VanDerWaalsContact CD-CE2 3.5Å; Q151-F278 HydrophobicContact CG-CD2 3.99Å; Q151-F278 HydrophobicContact CG-CE1 4.49Å; Q151-F278 HydrophobicContact CG-CE2 3.62Å; Q151-F278 HydrophobicContact CG-CZ 3.89Å; Q151-F278 VanDerWaalsContact OE1-CD2 3.3Å; Q274-F278 VanDerWaalsContact O-CB 3.31Å; Q274-F278 WeakPolarHBondContact O-CB 3.09Å; Q274-F278 PolarHBondContact O-N 3.17Å; A276-F278 VanDerWaalsContact C-N 3.34Å; A276-F278 PolarHBondContact O-N 3.37Å; F278-Y281 HydrophobicContact CD2-CD1 4.24Å; F278-Y281 HydrophobicContact CE2-CD1 4.25Å; F278-Y281 PolarHBondContact O-N 2.9Å; F278-F282 HydrophobicContact CE1-CD2 4.35Å; F278-F282 HydrophobicContact CZ-CD2 4.08Å; F278-F282 VanDerWaalsContact O-CB 3.28Å; F278-F282 WeakPolarHBondContact O-CB 3.27Å; F278-F282 PolarHBondContact O-N 3.3Å
279K97.4Very high94Very high64 Ų6453.3 Ų53.328%0.27826%0.263SS..Hα-helixtrans-62.6-45.7176.5-172.5169.9-177.8170.80110.6L105 D106 L109 N275 A276 F282 L283L105-K279 HydrophobicContact CD2-CG 4.13Å; D106-K279 VanDerWaalsContact OD1-CE 3.25Å; D106-K279 WeakPolarHBondContact OD1-CE 3.25Å; D106-K279 IonicContact OD1-NZ 3.31Å; D106-K279 PolarHBondContact OD1-NZ 2.83Å; D106-K279 IonicContact OD2-NZ 3.75Å; D106-K279 PolarHBondContact OD2-NZ 3.33Å; L109-K279 HydrophobicContact CD1-CB 3.85Å; L109-K279 HydrophobicContact CD1-CD 4.32Å; L109-K279 HydrophobicContact CD1-CG 4.34Å; N275-K279 VanDerWaalsContact O-CB 3.25Å; N275-K279 WeakPolarHBondContact O-CB 3.32Å; N275-K279 PolarHBondContact O-N 2.98Å; A276-K279 PolarHBondContact O-N 3.28Å; K279-F282 PolarHBondContact O-N 3.25Å; K279-L283 HydrophobicContact CG-CD1 3.91Å; K279-L283 HydrophobicContact CG-CG 4.38Å; K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.24Å; K279-L283 WeakPolarHBondContact O-CG 3.26Å; K279-L283 PolarHBondContact O-N 2.86Å
280E96.2Very high93.6Very high135 Ų13555.5 Ų55.563%0.63127%0.265SS*.Hα-helixtrans-59.1-51.2174.9-174.6-177.3164.700111.4A276 F282 L283 K284A276-E280 PolarHBondContact O-N 3.41Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 PolarHBondContact O-N 3.33Å; E280-L283 PolarHBondContact O-N 2.87Å; E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 PolarHBondContact O-N 2.91Å
281Y95.4Very high93.3Very high31 Ų3158.4 Ų58.412%0.12230%0.295CS..Hα-helixtrans-55.4-45.3176.7169.4-95.7000112.4R154 E157 D277 F278 N285R154-Y281 HydrophobicContact CB-CD1 3.93Å; R154-Y281 HydrophobicContact CB-CD2 4.4Å; R154-Y281 HydrophobicContact CB-CE1 3.56Å; R154-Y281 HydrophobicContact CB-CE2 4.08Å; R154-Y281 HydrophobicContact CB-CG 4.32Å; R154-Y281 HydrophobicContact CG-CD1 3.88Å; R154-Y281 HydrophobicContact CG-CD2 3.8Å; R154-Y281 HydrophobicContact CG-CE1 3.96Å; R154-Y281 HydrophobicContact CG-CE2 3.9Å; R154-Y281 HydrophobicContact CG-CG 3.78Å; R154-Y281 PolarHBondContact N-OH 3.3Å; E157-Y281 PolarHBondContact OE1-OH 3.02Å; D277-Y281 WeakPolarHBondContact O-CB 3.49Å; D277-Y281 PolarHBondContact O-N 3.04Å; F278-Y281 HydrophobicContact CD2-CD1 4.24Å; F278-Y281 HydrophobicContact CE2-CD1 4.25Å; F278-Y281 PolarHBondContact O-N 2.9Å; Y281-N285 PolarHBondContact O-N 2.99Å
282F95.6Very high93.3Very high20 Ų2058.5 Ų58.59%0.08830%0.295CS..Hα-helixtrans-65.7-43.8-178.7-168.6-83.5000111.7R97 I100 L105 L147 A150 F278 K279 E280 N285R97-F282 HydrophobicContact CB-CZ 4.26Å; R97-F282 HydrophobicContact CG-CE2 4.5Å; I100-F282 HydrophobicContact CB-CE1 4.43Å; I100-F282 HydrophobicContact CB-CZ 3.85Å; I100-F282 HydrophobicContact CD1-CE2 4Å; I100-F282 HydrophobicContact CD1-CZ 3.77Å; I100-F282 HydrophobicContact CG1-CZ 4.42Å; I100-F282 HydrophobicContact CG2-CE1 4.07Å; I100-F282 HydrophobicContact CG2-CE2 4.5Å; I100-F282 HydrophobicContact CG2-CZ 3.68Å; L105-F282 HydrophobicContact CD1-CD1 4.44Å; L105-F282 HydrophobicContact CD1-CD2 4.42Å; L105-F282 HydrophobicContact CD1-CG 4.22Å; L105-F282 HydrophobicContact CD2-CB 4.16Å; L105-F282 HydrophobicContact CD2-CD1 3.65Å; L105-F282 HydrophobicContact CD2-CE1 4.3Å; L105-F282 HydrophobicContact CD2-CG 4.01Å; L147-F282 HydrophobicContact CD2-CD2 4.37Å; L147-F282 HydrophobicContact CD2-CE2 3.93Å; A150-F282 HydrophobicContact CB-CD2 4.34Å; A150-F282 HydrophobicContact CB-CE2 4.37Å; F278-F282 HydrophobicContact CE1-CD2 4.35Å; F278-F282 HydrophobicContact CZ-CD2 4.08Å; F278-F282 VanDerWaalsContact O-CB 3.28Å; F278-F282 WeakPolarHBondContact O-CB 3.27Å; F278-F282 PolarHBondContact O-N 3.3Å; K279-F282 PolarHBondContact O-N 3.25Å; E280-F282 VanDerWaalsContact C-N 3.31Å; E280-F282 PolarHBondContact O-N 3.33Å; F282-N285 PolarHBondContact O-N 3.23Å
283L95.6Very high93.3Very high91 Ų9152.6 Ų52.648%0.47628%0.277SS..Hα-helixtrans-73.4-36.7-178.1-68.2177.3000113.1I102 K279 E280 N285I102-L283 HydrophobicContact CD1-CD2 4.32Å; I102-L283 HydrophobicContact CG1-CD2 4.14Å; K279-L283 HydrophobicContact CG-CD1 3.91Å; K279-L283 HydrophobicContact CG-CG 4.38Å; K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.24Å; K279-L283 WeakPolarHBondContact O-CG 3.26Å; K279-L283 PolarHBondContact O-N 2.86Å; E280-L283 PolarHBondContact O-N 2.87Å; L283-N285 PolarHBondContact O-N 2.94Å
284K92.2Very high93.3Very high126 Ų12652 Ų5255%0.54828%0.276SS..Hα-helixtrans-57.1-34.3173.5-162.4-171.2-162.2-154.30110.9E280 E286E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 PolarHBondContact O-N 2.91Å; K284-E286 HydrophobicContact CD-CB 4.14Å; K284-E286 HydrophobicContact CD-CG 4.22Å; K284-E286 VanDerWaalsContact CE-OE1 3.3Å; K284-E286 WeakPolarHBondContact CE-OE1 3.46Å; K284-E286 WeakPolarHBondContact CE-OE2 3.25Å; K284-E286 HydrophobicContact CG-CB 4.23Å; K284-E286 HydrophobicContact CG-CG 4.04Å; K284-E286 IonicContact NZ-OE1 2.77Å; K284-E286 IonicContact NZ-OE2 3.77Å; K284-E286 PolarHBondContact NZ-OE2 3.24Å; K284-E286 PolarHBondContact O-N 3.18Å
285N85.2Confident93.3Very high71 Ų7155.2 Ų55.238%0.3829%0.293SS..  trans58.712.4175.6-156.914.8000113.4Y281 F282 L283 I287 R290Y281-N285 PolarHBondContact O-N 2.99Å; F282-N285 PolarHBondContact O-N 3.23Å; L283-N285 PolarHBondContact O-N 2.94Å; N285-I287 PolarHBondContact O-N 3.05Å; N285-I287 VanDerWaalsContact O-N 3.15Å; N285-R290 PolarHBondContact ND2-NH2 2.85Å; N285-R290 PolarHBondContact O-NE 3.04Å; N285-R290 PolarHBondContact O-NH2 3.19Å; N285-R290 PolarHBondContact OD1-NH2 3.15Å
286E82.1Confident93.1Very high124 Ų12455.3 Ų55.358%0.57929%0.293SS*.  trans-8384.2172.2-72.4175.9-158.800109.5K284K284-E286 HydrophobicContact CD-CB 4.14Å; K284-E286 HydrophobicContact CD-CG 4.22Å; K284-E286 VanDerWaalsContact CE-OE1 3.3Å; K284-E286 WeakPolarHBondContact CE-OE1 3.46Å; K284-E286 WeakPolarHBondContact CE-OE2 3.25Å; K284-E286 HydrophobicContact CG-CB 4.23Å; K284-E286 HydrophobicContact CG-CG 4.04Å; K284-E286 IonicContact NZ-OE1 2.77Å; K284-E286 IonicContact NZ-OE2 3.77Å; K284-E286 PolarHBondContact NZ-OE2 3.24Å; K284-E286 PolarHBondContact O-N 3.18Å
287I80.2Confident93.1Very high21 Ų2162.3 Ų62.311%0.10831%0.312CS..  trans-97.7130.7-175.1-50.9151.4000108.8N285 W289 R290N285-I287 PolarHBondContact O-N 3.05Å; N285-I287 VanDerWaalsContact O-N 3.15Å; I287-W289 HydrophobicContact CG2-CB 4.22Å; I287-W289 HydrophobicContact CG2-CG 4.32Å; I287-W289 PolarHBondContact O-N 3.42Å; I287-R290 HydrophobicContact CB-CG 4.15Å; I287-R290 WeakPolarHBondContact O-CG 3.4Å; I287-R290 PolarHBondContact O-N 3.43Å
288L91.3Very high93Very high16 Ų1666.6 Ų66.68%0.08433%0.33CS..THydrogen-bonded Turntrans-58.4-32.1179.3-179.161.1000112.6D55 R57 I58 E157 R290D55-L288 HydrophobicContact CB-CD1 4.34Å; D55-L288 VanDerWaalsContact OD2-CD1 3.31Å; D55-L288 WeakPolarHBondContact OD2-CD1 3.42Å; R57-L288 HydrophobicContact CB-CD1 3.97Å; R57-L288 HydrophobicContact CB-CD2 3.83Å; I58-L288 HydrophobicContact CD1-CD1 4.49Å; I58-L288 WeakPolarHBondContact CD1-O 3.34Å; I58-L288 HydrophobicContact CG1-CD1 3.82Å; I58-L288 HydrophobicContact CG1-CD2 4.26Å; I58-L288 HydrophobicContact CG1-CG 3.71Å; E157-L288 HydrophobicContact CG-CB 3.84Å; E157-L288 HydrophobicContact CG-CD2 3.98Å; E157-L288 VanDerWaalsContact OE1-CB 3.28Å; E157-L288 WeakPolarHBondContact OE1-CB 3.23Å; E157-L288 PolarHBondContact OE1-N 2.98Å; E157-L288 VanDerWaalsContact OE1-N 3.07Å; L288-R290 VanDerWaalsContact C-N 3.27Å; L288-R290 PolarHBondContact O-N 2.87Å
289W93.4Very high92.8Very high7 Ų767.7 Ų67.73%0.02733%0.334CS..THydrogen-bonded Turntrans-86.419.6-172.6-39.7101.5000114.4I58 A61 F62 F80 D153 L156 E157 I287 M292I58-W289 HydrophobicContact CB-CZ3 4.44Å; I58-W289 HydrophobicContact CG1-CE3 4.45Å; I58-W289 HydrophobicContact CG1-CZ3 4.45Å; I58-W289 HydrophobicContact CG2-CE3 4.37Å; I58-W289 HydrophobicContact CG2-CZ3 4.08Å; A61-W289 HydrophobicContact CB-CH2 4.08Å; F62-W289 HydrophobicContact CE2-CZ3 4.07Å; F80-W289 HydrophobicContact CE1-CB 4.44Å; F80-W289 HydrophobicContact CE1-CD2 4.21Å; F80-W289 AromaticContact CE1-CE3 3.74Å; F80-W289 HydrophobicContact CE1-CE3 3.74Å; F80-W289 HydrophobicContact CE1-CZ3 4.44Å; F80-W289 HydrophobicContact CZ-CD2 4.01Å; F80-W289 AromaticContact CZ-CE3 3.85Å; F80-W289 HydrophobicContact CZ-CE3 3.85Å; F80-W289 HydrophobicContact CZ-CG 4.35Å; F80-W289 HydrophobicContact CZ-CZ3 4.4Å; D153-W289 VanDerWaalsContact CG-CD1 3.44Å; D153-W289 PolarHBondContact O-NE1 3.31Å; L156-W289 HydrophobicContact CB-CZ2 3.88Å; L156-W289 HydrophobicContact CD2-CH2 3.45Å; L156-W289 VanDerWaalsContact CD2-CH2 3.45Å; L156-W289 HydrophobicContact CD2-CZ2 3.41Å; L156-W289 VanDerWaalsContact CD2-CZ2 3.41Å; L156-W289 HydrophobicContact CD2-CZ3 4.22Å; L156-W289 HydrophobicContact CG-CH2 3.73Å; L156-W289 HydrophobicContact CG-CZ2 3.52Å; E157-W289 HydrophobicContact CG-CZ2 4.08Å; I287-W289 HydrophobicContact CG2-CB 4.22Å; I287-W289 HydrophobicContact CG2-CG 4.32Å; I287-W289 PolarHBondContact O-N 3.42Å; W289-M292 HydrophobicContact CB-CE 4.46Å; W289-M292 HydrophobicContact CB-SD 4.46Å; W289-M292 HydrophobicContact CE3-CE 3.98Å
290R87.4Confident92.6Very high126 Ų12666.9 Ų66.948%0.47534%0.335SS..  trans-78.1166.1176.6-79.5173172-128.9-7.4112.3N285 I287 L288 M292N285-R290 PolarHBondContact ND2-NH2 2.85Å; N285-R290 PolarHBondContact O-NE 3.04Å; N285-R290 PolarHBondContact O-NH2 3.19Å; N285-R290 PolarHBondContact OD1-NH2 3.15Å; I287-R290 HydrophobicContact CB-CG 4.15Å; I287-R290 WeakPolarHBondContact O-CG 3.4Å; I287-R290 PolarHBondContact O-N 3.43Å; L288-R290 VanDerWaalsContact C-N 3.27Å; L288-R290 PolarHBondContact O-N 2.87Å; R290-M292 PolarHBondContact O-N 2.98Å
291G91.9Very high92.2Very high62 Ų6265.4 Ų65.464%0.63933%0.328SS*.SBendtrans68.315176.900000113.8C52C52-G291 WeakPolarHBondContact CA-O 3.43Å
292M95.7Very high91.8Very high19 Ų1968 Ų689%0.09435%0.35CS..  trans-84.9139.2173-67.1-176.217400110.2S51 C52 I58 F80 I81 T85 W289 R290S51-M292 CarbonylContact O-C 3.58Å; S51-M292 VanDerWaalsContact O-CA 3.23Å; S51-M292 WeakPolarHBondContact O-CA 3.26Å; C52-M292 HydrophobicContact CB-CG 4.27Å; I58-M292 HydrophobicContact CD1-CE 4.22Å; I58-M292 HydrophobicContact CG2-CE 3.81Å; F80-M292 HydrophobicContact CD1-CE 4.14Å; F80-M292 HydrophobicContact CD1-SD 3.81Å; F80-M292 HydrophobicContact CE1-CE 3.92Å; F80-M292 HydrophobicContact CE1-SD 3.68Å; I81-M292 HydrophobicContact CG1-CB 4.34Å; I81-M292 HydrophobicContact CG1-CG 4.15Å; I81-M292 HydrophobicContact CG1-SD 3.88Å; I81-M292 HydrophobicContact CG2-CB 4.31Å; T85-M292 HydrophobicContact CG2-CB 4.18Å; T85-M292 WeakPolarHBondContact CG2-O 3.3Å; W289-M292 HydrophobicContact CB-CE 4.46Å; W289-M292 HydrophobicContact CB-SD 4.46Å; W289-M292 HydrophobicContact CE3-CE 3.98Å; R290-M292 PolarHBondContact O-N 2.98Å
293A97.2Very high91.2Very high44 Ų4467.3 Ų67.336%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-155.3148.9170.700000110.8S51 I81S51-A293 PolarHBondContact N-O 2.86Å; S51-A293 PolarHBondContact O-N 3.24Å; I81-A293 WeakPolarHBondContact CG2-O 3.49Å
294V97.3Very high90.6Very high18 Ų1867 Ų6711%0.10934%0.343CS..EExtended strand (participates in β ladder)trans-112.9134.9166.870.10000110.3H49 L50 I81 T85H49-V294 CarbonylContact O-C 3.46Å; H49-V294 WeakPolarHBondContact O-CA 3.5Å; L50-V294 HydrophobicContact CD2-CG2 4.24Å; I81-V294 HydrophobicContact CG2-CB 4.42Å; T85-V294 WeakPolarHBondContact OG1-CG1 3.45Å; T85-V294 PolarHBondContact OG1-N 3Å
295N96.9Very high90.1Very high67 Ų6770.2 Ų70.236%0.35835%0.352SS..  trans-104.295.1170.8-174.3-20.8000109.3H49 K297 K298 R299H49-N295 WeakPolarHBondContact CB-O 3.21Å; H49-N295 PolarHBondContact O-N 3.18Å; N295-K297 PolarHBondContact O-N 3.02Å; N295-K297 VanDerWaalsContact O-N 3.14Å; N295-K297 WeakPolarHBondContact OD1-CB 3.17Å; N295-K297 PolarHBondContact OD1-N 3.4Å; N295-K298 HydrophobicContact CB-CB 4.45Å; N295-K298 PolarHBondContact O-N 3.34Å; N295-R299 PolarHBondContact O-N 3.32Å
296E94.4Very high89.8Confident29 Ų2969.2 Ų69.214%0.13635%0.346CS..G310 helixtrans-57.9-28.9-177.3-69.8-65.9174.400113.3S86 K298 R299S86-E296 WeakPolarHBondContact CB-OE1 3.42Å; S86-E296 PolarHBondContact OG-OE1 3.16Å; E296-K298 PolarHBondContact O-N 2.95Å; E296-R299 PolarHBondContact O-N 2.91Å; E296-R299 IonicContact OE1-NH1 3.41Å; E296-R299 PolarHBondContact OE1-NH1 3.41Å; E296-R299 WeakPolarHBondContact OE2-CD 3.47Å; E296-R299 IonicContact OE2-NH1 3.14Å
297K95.2Very high89.6Confident205 Ų20564.7 Ų64.789%0.89133%0.326SS*.G310 helixtrans-66.5-24.7176.6-61.5-176.7178.7-179.50113.1N295N295-K297 PolarHBondContact O-N 3.02Å; N295-K297 VanDerWaalsContact O-N 3.14Å; N295-K297 WeakPolarHBondContact OD1-CB 3.17Å; N295-K297 PolarHBondContact OD1-N 3.4Å
298K95.8Very high89.6Confident123 Ų12366.4 Ų66.454%0.53534%0.34SS..G310 helixtrans-101.8-3.3178.6-65.5-175.7176.5-175.40112.4P48 H49 N295 E296 P300P48-K298 HydrophobicContact CB-CB 4.44Å; P48-K298 HydrophobicContact CB-CD 4.32Å; P48-K298 VanDerWaalsContact O-CD 3.27Å; P48-K298 WeakPolarHBondContact O-CD 3.45Å; H49-K298 HydrophobicContact CB-CB 4.13Å; N295-K298 HydrophobicContact CB-CB 4.45Å; N295-K298 PolarHBondContact O-N 3.34Å; E296-K298 PolarHBondContact O-N 2.95Å; K298-P300 WeakPolarHBondContact O-CD 3.42Å
299R93.5Very high88.7Confident22 Ų2273.6 Ų73.68%0.08337%0.373CS..  trans-75.2117.2-172.3-170.7172.5-171.8-152.2-2.6110.3H49 D78 T82 N295 E296 S303 K304H49-R299 HydrophobicContact CB-CB 3.88Å; H49-R299 HydrophobicContact CB-CG 4.35Å; D78-R299 IonicContact OD1-NE 3.98Å; D78-R299 IonicContact OD1-NH2 2.64Å; D78-R299 PolarHBondContact OD1-NH2 3.39Å; T82-R299 PolarHBondContact OG1-NH2 3.47Å; N295-R299 PolarHBondContact O-N 3.32Å; E296-R299 PolarHBondContact O-N 2.91Å; E296-R299 IonicContact OE1-NH1 3.41Å; E296-R299 PolarHBondContact OE1-NH1 3.41Å; E296-R299 WeakPolarHBondContact OE2-CD 3.47Å; E296-R299 IonicContact OE2-NH1 3.14Å; R299-S303 PolarHBondContact NH2-O 3.09Å; R299-K304 HydrophobicContact CG-CG 4.15Å
300P91.3Very high88Confident47 Ų4774.6 Ų74.631%0.30538%0.377SS..  trans-69.7153.1-178.429.5-33.8000110.8H49 K298 S302 S303 K304H49-P300 WeakPolarHBondContact ND1-CD 3.33Å; K298-P300 WeakPolarHBondContact O-CD 3.42Å; P300-S302 PolarHBondContact O-N 3.42Å; P300-S303 WeakPolarHBondContact O-CB 3.21Å; P300-S303 PolarHBondContact O-N 3.16Å; P300-K304 PolarHBondContact O-N 2.88Å
301E88.8Confident87.3Confident105 Ų10576.1 Ų76.149%0.49139%0.387SS..Hα-helixtrans-59.8-33.4-179.6-168.854.7-143.400112.4S303 K304 R305E301-S303 VanDerWaalsContact C-N 3.33Å; E301-S303 PolarHBondContact O-N 3Å; E301-K304 PolarHBondContact O-N 2.98Å; E301-R305 WeakPolarHBondContact O-CG 3.43Å; E301-R305 PolarHBondContact O-N 2.61Å; E301-R305 IonicContact OE1-NE 3.9Å
302S86.4Confident86.2Confident84 Ų8480.2 Ų80.259%0.58739%0.39SS*.Hα-helixtrans-60.6-38.7173.351.60000112.9P300P300-S302 PolarHBondContact O-N 3.42Å
303S84.2Confident84.6Confident7 Ų780.5 Ų80.55%0.04940%0.395CS..Hα-helixtrans-71-34.3176.2-78.30000112.4H49 D78 R299 P300 E301 R305 L306H49-S303 PolarHBondContact CE1-OG 3.28Å; H49-S303 PolarHBondContact NE2-OG 2.86Å; D78-S303 WeakPolarHBondContact OD2-CB 3.29Å; D78-S303 PolarHBondContact OD2-OG 3.23Å; R299-S303 PolarHBondContact NH2-O 3.09Å; P300-S303 WeakPolarHBondContact O-CB 3.21Å; P300-S303 PolarHBondContact O-N 3.16Å; E301-S303 VanDerWaalsContact C-N 3.33Å; E301-S303 PolarHBondContact O-N 3Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.24Å; S303-L306 VanDerWaalsContact O-CB 3.26Å; S303-L306 WeakPolarHBondContact O-CB 3.22Å; S303-L306 WeakPolarHBondContact O-CG 3.41Å; S303-L306 PolarHBondContact O-N 2.77Å
304K82.3Confident82.9Confident84 Ų8483.1 Ų83.137%0.36540%0.403SS..Hα-helixtrans-63-37.3176.9-65.3-176-177.6179.90111.8R299 P300 E301 L306 L307R299-K304 HydrophobicContact CG-CG 4.15Å; P300-K304 PolarHBondContact O-N 2.88Å; E301-K304 PolarHBondContact O-N 2.98Å; K304-L306 PolarHBondContact O-N 3.02Å; K304-L307 PolarHBondContact O-N 3.37Å
305R81.5Confident80.9Confident193 Ų19387.8 Ų87.873%0.72843%0.427SS*.THydrogen-bonded Turntrans-69.3-10.5177.4-64.4175.8-165.1-171.53.9114.4E301 S303 L307E301-R305 WeakPolarHBondContact O-CG 3.43Å; E301-R305 PolarHBondContact O-N 2.61Å; E301-R305 IonicContact OE1-NE 3.9Å; S303-R305 VanDerWaalsContact C-N 3.28Å; S303-R305 PolarHBondContact O-N 3.24Å; R305-L307 PolarHBondContact O-N 3.41Å
306L79Confident78.7Confident50 Ų5095 Ų9526%0.26245%0.449SS..THydrogen-bonded Turntrans-69.5-22.4177-61.4177.8000112.9M75 D78 N79 S303 K304M75-L306 HydrophobicContact CB-CD2 4.35Å; M75-L306 HydrophobicContact CG-CB 4.04Å; M75-L306 HydrophobicContact CG-CD1 4.32Å; M75-L306 HydrophobicContact CG-CD2 3.87Å; M75-L306 HydrophobicContact CG-CG 4.28Å; M75-L306 HydrophobicContact SD-CD2 4.16Å; D78-L306 HydrophobicContact CB-CD1 4.08Å; N79-L306 PolarHBondContact ND2-O 2.86Å; N79-L306 WeakPolarHBondContact OD1-CB 3.41Å; S303-L306 VanDerWaalsContact O-CB 3.26Å; S303-L306 WeakPolarHBondContact O-CB 3.22Å; S303-L306 WeakPolarHBondContact O-CG 3.41Å; S303-L306 PolarHBondContact O-N 2.77Å; K304-L306 PolarHBondContact O-N 3.02Å
307L78.6Confident76.6Confident29 Ų2996.9 Ų96.915%0.15247%0.466CS..SBendtrans-90.1116.7175.2-72.3172.2000109.7N79 T82 L83 E198 K304 R305N79-L307 HydrophobicContact CB-CD2 3.81Å; N79-L307 VanDerWaalsContact OD1-CD2 3.32Å; N79-L307 WeakPolarHBondContact OD1-CD2 3.35Å; N79-L307 WeakPolarHBondContact OD1-CG 3.5Å; T82-L307 HydrophobicContact CG2-CD1 4.15Å; L83-L307 HydrophobicContact CD1-CD2 3.83Å; L83-L307 HydrophobicContact CD2-CD1 4.01Å; L83-L307 HydrophobicContact CD2-CD2 4.21Å; L83-L307 HydrophobicContact CG-CD1 4.34Å; L83-L307 HydrophobicContact CG-CD2 3.96Å; E198-L307 HydrophobicContact CB-CD2 4.38Å; K304-L307 PolarHBondContact O-N 3.37Å; R305-L307 PolarHBondContact O-N 3.41Å
308S78.9Confident74.4Confident57 Ų5788.6 Ų88.640%0.39943%0.432SS..PPolyproline II helixtrans-63.2145.2171.5-53.10000111.5Y310S308-Y310 WeakPolarHBondContact O-CD2 3.39Å
309E74.1Confident71.9Confident168 Ų16885 Ų8579%0.78543%0.429SS*.PPolyproline II helixtrans-76.3129.9171.7-69.2-17517900110.7
310Y77.8Confident69.3Low27 Ų2790.5 Ų90.511%0.10647%0.466CS..  trans-111.793.5172.6-76.4-122.9000106.1R190 K194 Q197 E198 W226 S308R190-Y310 HydrophobicContact CG-CD1 4.23Å; K194-Y310 HydrophobicContact CB-CD1 4.21Å; K194-Y310 HydrophobicContact CB-CD2 4.16Å; K194-Y310 HydrophobicContact CB-CE1 4.05Å; K194-Y310 HydrophobicContact CB-CE2 4.01Å; K194-Y310 HydrophobicContact CB-CG 4.28Å; K194-Y310 HydrophobicContact CD-CD2 4.02Å; K194-Y310 HydrophobicContact CD-CE2 4.37Å; K194-Y310 HydrophobicContact CD-CG 4.48Å; K194-Y310 HydrophobicContact CG-CD2 3.99Å; K194-Y310 HydrophobicContact CG-CE2 3.85Å; Q197-Y310 PolarHBondContact NE2-OH 3.25Å; E198-Y310 HydrophobicContact CG-CE2 4.39Å; E198-Y310 PolarHBondContact OE1-OH 3.3Å; W226-Y310 HydrophobicContact CB-CD1 3.61Å; W226-Y310 HydrophobicContact CB-CE1 3.71Å; W226-Y310 AromaticContact CD1-CD1 3.99Å; W226-Y310 HydrophobicContact CD2-CD1 4.49Å; W226-Y310 AromaticContact CG-CD1 3.76Å; W226-Y310 HydrophobicContact CG-CD1 3.76Å; W226-Y310 HydrophobicContact CG-CE1 4.37Å; S308-Y310 WeakPolarHBondContact O-CD2 3.39Å
311K73.6Confident66.8Low158 Ų15894.1 Ų94.169%0.68749%0.487SS*.PPolyproline II helixtrans-57.3140.7-177.8-65.5-173.5179.1-175.40110.5W226 A313W226-K311 PolarHBondContact NE1-O 3.2Å; K311-A313 PolarHBondContact O-N 3.27Å
312E67.6Low64.5Low149 Ų14991.6 Ų91.670%0.69649%0.489SS*.PPolyproline II helixtrans-60.9133.9169.8-46.7-145.8120.200108.6R190R190-E312 IonicContact CZ-OE1 2.82Å; R190-E312 VanDerWaalsContact NH1-CG 3.32Å; R190-E312 IonicContact NH1-OE1 2.86Å; R190-E312 PolarHBondContact NH1-OE1 3.09Å; R190-E312 IonicContact NH2-OE1 2.79Å
313A63Low62.1Low24 Ų2493.6 Ų93.620%0.19850%0.498CS..PPolyproline II helixtrans-71.8134.9174.100000108.6L222 W226 K311 D315L222-A313 HydrophobicContact CD1-CB 3.82Å; L222-A313 HydrophobicContact CD2-CB 3.62Å; L222-A313 HydrophobicContact CG-CB 4.28Å; W226-A313 HydrophobicContact CZ2-CB 4.11Å; K311-A313 PolarHBondContact O-N 3.27Å; A313-D315 PolarHBondContact O-N 3.4Å
314D60.2Low60Low100 Ų100102.7 Ų102.754%0.53554%0.537SS..PPolyproline II helixtrans-57.7122.9173.7-176.6-3000109.5R316 S317D314-R316 PolarHBondContact O-N 3.22Å; D314-R316 VanDerWaalsContact O-N 3.15Å; D314-R316 WeakPolarHBondContact OD1-CB 3.05Å; D314-R316 WeakPolarHBondContact OD1-CG 3.27Å; D314-R316 PolarHBondContact OD1-N 3.35Å; D314-S317 WeakPolarHBondContact O-CB 3.42Å; D314-S317 PolarHBondContact O-N 3.46Å; D314-S317 PolarHBondContact O-OG 3.09Å
315D55.8Low58.1Low116 Ų116105 Ų10562%0.6255%0.552SS**G310 helixtrans-60.6-25-178.6-85.4-33.6000112.9K186 A313 S317 V318 G319K186-D315 IonicContact NZ-OD1 3.7Å; K186-D315 PolarHBondContact NZ-OD1 3.28Å; A313-D315 PolarHBondContact O-N 3.4Å; D315-S317 PolarHBondContact O-N 3.44Å; D315-V318 PolarHBondContact O-N 2.98Å; D315-G319 PolarHBondContact O-N 3.11Å
316R50.8Low56.1Low218 Ų218107.1 Ų107.182%0.82356%0.56SS**G310 helixtrans-62-22.9174.7-60.5177.3-168.5-170.44.5113.4D314 V318D314-R316 PolarHBondContact O-N 3.22Å; D314-R316 VanDerWaalsContact O-N 3.15Å; D314-R316 WeakPolarHBondContact OD1-CB 3.05Å; D314-R316 WeakPolarHBondContact OD1-CG 3.27Å; D314-R316 PolarHBondContact OD1-N 3.35Å; R316-V318 VanDerWaalsContact C-N 3.28Å; R316-V318 PolarHBondContact O-N 3.26Å
317S49.6Very low54.4Low69 Ų69111.9 Ų111.948%0.48359%0.585SS.*G310 helixtrans-74.5-13.6-179.166.40000114.5D314 D315D314-S317 WeakPolarHBondContact O-CB 3.42Å; D314-S317 PolarHBondContact O-N 3.46Å; D314-S317 PolarHBondContact O-OG 3.09Å; D315-S317 PolarHBondContact O-N 3.44Å
318V50.1Low52.7Low31 Ų31115.5 Ų115.519%0.18861%0.61CS.*THydrogen-bonded Turntrans-127.9-5.2-176.1-169.90000112.5K186 I215 V218 L222 D315 R316 T320K186-V318 HydrophobicContact CD-CG2 4.36Å; K186-V318 VanDerWaalsContact CE-CB 3.48Å; K186-V318 VanDerWaalsContact CE-CG2 3.45Å; I215-V318 HydrophobicContact CD1-CG1 4.28Å; V218-V318 HydrophobicContact CG1-CB 4.28Å; V218-V318 HydrophobicContact CG1-CG1 3.96Å; V218-V318 HydrophobicContact CG1-CG2 3.65Å; L222-V318 HydrophobicContact CD1-CG2 3.92Å; D315-V318 PolarHBondContact O-N 2.98Å; R316-V318 VanDerWaalsContact C-N 3.28Å; R316-V318 PolarHBondContact O-N 3.26Å; V318-T320 VanDerWaalsContact C-N 3.31Å; V318-T320 PolarHBondContact O-N 3.1Å
319G41.9Very low51.5Low46 Ų46119.2 Ų119.247%0.47463%0.63SS.*  trans-61.194.2171.100000110.2D315 T321D315-G319 PolarHBondContact O-N 3.11Å; G319-T321 PolarHBondContact O-N 2.95Å
320T40.1Very low50.4Low139 Ų139118.3 Ų118.385%0.85363%0.631SS**  trans-67.169140.644.40000106.6V318 G322V318-T320 VanDerWaalsContact C-N 3.31Å; V318-T320 PolarHBondContact O-N 3.1Å; T320-G322 PolarHBondContact O-N 3.24Å
321T38Very low49Very low123 Ų123128.1 Ų128.176%0.75569%0.685SS**  trans-61.383.5147.128.90000104.5G319 T323G319-T321 PolarHBondContact O-N 2.95Å; T321-T323 PolarHBondContact O-N 3.14Å
322G40.4Very low47.7Very low51 Ų51126.7 Ų126.753%0.52669%0.685SS.*  trans-55.5114.5167.100000105.6T320 F324T320-G322 PolarHBondContact O-N 3.24Å; G322-F324 PolarHBondContact O-N 3.21Å
323T37.1Very low46.7Very low126 Ų126125.5 Ų125.577%0.77368%0.684SS**  trans-66.968.3173.4-33.70000108.2T321 I325T321-T323 PolarHBondContact O-N 3.14Å; T323-I325 HydrophobicContact CG2-CD1 4.24Å; T323-I325 HydrophobicContact CG2-CG1 3.85Å; T323-I325 PolarHBondContact O-N 2.79Å
324F39.5Very low45.8Very low199 Ų199131.1 Ų131.187%0.87371%0.711SS**  trans-7385.6163.8-84.4-79.7000106.5G322 R326G322-F324 PolarHBondContact O-N 3.21Å; F324-R326 PolarHBondContact O-N 3.21Å
325I42.5Very low44.9Very low131 Ų131132.9 Ų132.967%0.67272%0.722SS**  trans-68.3114.8162-53.6-179.4000105.1T323 L327T323-I325 HydrophobicContact CG2-CD1 4.24Å; T323-I325 HydrophobicContact CG2-CG1 3.85Å; T323-I325 PolarHBondContact O-N 2.79Å; I325-L327 PolarHBondContact O-N 3.36Å; I325-L327 VanDerWaalsContact O-N 3.08Å
326R40.1Very low44.2Very low238 Ų238134 Ų13490%0.89873%0.728SS**  trans-59.3114.1166.1-84.5-176.8173.8179.3-2.2106.9F324F324-R326 PolarHBondContact O-N 3.21Å
327L42.9Very low43.8Very low151 Ų151128.4 Ų128.479%0.79172%0.722SS**  trans-63.5129.2169.3-69.8170.2000107.6I325 V329I325-L327 PolarHBondContact O-N 3.36Å; I325-L327 VanDerWaalsContact O-N 3.08Å; L327-V329 PolarHBondContact O-N 3.28Å
328P42.2Very low43.4Very low105 Ų105132.6 Ų132.668%0.68274%0.739SS**  trans-59.8130.6172.923.4-29.6000108.6N330P328-N330 PolarHBondContact O-N 3.24Å
329V55.1Low42.9Very low135 Ų135140.5 Ų140.582%0.81878%0.781SS**  trans-69.7110168.2-1750000105L327 D331L327-V329 PolarHBondContact O-N 3.28Å; V329-D331 PolarHBondContact O-N 3.19Å
330N51.1Low43Very low148 Ų148148.3 Ų148.379%0.79181%0.807SS**  trans-70.8121.6168.6-79.4-8.9000107.5P328P328-N330 PolarHBondContact O-N 3.24Å
331D46.8Very low43.2Very low234 Ų234149.2 Ų149.2100%1.25180%0.803SS**  trans-4.70178.2-60.4-30000119.4V329V329-D331 PolarHBondContact O-N 3.19Å

Retrieved 331 of 331 residues in 127.4 ms (Link to these results)

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